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 3oee_1_B DATA FIRST_RESID 25 DATA SEQUENCE ANLNETGRVL AVGDGIARVF GLNNIQAEEL VEFSSGVKGM ALNLEPGQVG DATA SEQUENCE IVLFGSDRLV KEGELVKRTG NIVDVPVGPG LLGRVVDALG NPIDGKGPID DATA SEQUENCE AAGRSRAQVK APGILPRRSV HEPVQTGLKA VDALVPIGRG QRELIIGDRQ DATA SEQUENCE TGKTAVALDT ILNQKRWNNG SDESKKLYCV YVAVGQKRST VAQLVQTLEQ DATA SEQUENCE HDAMKYSIIV AATASEAAPL QYLAPFTAAS IGEWFRDNGK HALIVYDDLS DATA SEQUENCE KQAVAYRQLS LLLRRPPGRE AYPGDVFYLH SRLLERAAKL SEKEGSGSLT DATA SEQUENCE ALPVIETQGG DVSAYIPTNV ISITDGQIFL EAELFYKGIR PAINVGLSVS DATA SEQUENCE RVGSAAQVKA LKQVAGSLKL FLAQYREVAA SAQXXSDLDA STKQTLVRGE DATA SEQUENCE RLTQLLKQNQ YSPLATEEQV PLIYAGVNGH LDGIELSRIG EFESSFLSYL DATA SEQUENCE KSNHNELLTE IREKGELSKE LLASLKSATE SFVAT 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.589 177.584 0.009 0.000 1.274 25 A CA 0.000 52.046 52.037 0.015 0.000 0.836 25 A CB 0.000 19.016 19.000 0.027 0.000 0.831 26 N N 1.975 120.673 118.700 -0.003 0.000 2.315 26 N HA 0.017 4.757 4.740 0.001 0.000 0.270 26 N C 0.734 176.227 175.510 -0.028 0.000 1.329 26 N CA 0.452 53.492 53.050 -0.015 0.000 0.860 26 N CB 0.625 39.100 38.487 -0.019 0.000 1.095 26 N HN 0.677 nan 8.380 nan 0.000 0.487 27 L N 2.644 123.842 121.223 -0.042 0.000 2.591 27 L HA 0.043 4.384 4.340 0.001 0.000 0.228 27 L C 1.720 178.524 176.870 -0.110 0.000 1.133 27 L CA 0.070 54.857 54.840 -0.089 0.000 0.880 27 L CB -0.073 41.909 42.059 -0.129 0.000 1.033 27 L HN 0.455 nan 8.230 nan 0.000 0.450 28 N N -0.034 118.621 118.700 -0.075 0.000 2.251 28 N HA -0.078 4.662 4.740 0.001 0.000 0.181 28 N C 1.293 176.765 175.510 -0.064 0.000 1.019 28 N CA 0.989 53.997 53.050 -0.070 0.000 0.862 28 N CB 0.257 38.714 38.487 -0.050 0.000 0.992 28 N HN 0.260 nan 8.380 nan 0.000 0.429 29 E N -0.025 120.143 120.200 -0.054 0.000 2.481 29 E HA 0.184 4.535 4.350 0.001 0.000 0.198 29 E C -0.072 176.494 176.600 -0.057 0.000 1.027 29 E CA 0.188 56.559 56.400 -0.049 0.000 0.900 29 E CB 0.850 30.529 29.700 -0.036 0.000 0.993 29 E HN 0.088 nan 8.360 nan 0.000 0.482 30 T N -0.606 113.910 114.554 -0.063 0.000 2.868 30 T HA 0.666 5.017 4.350 0.001 0.000 0.306 30 T C -0.491 174.170 174.700 -0.065 0.000 1.224 30 T CA -0.561 61.504 62.100 -0.058 0.000 1.012 30 T CB 2.324 71.171 68.868 -0.035 0.000 1.221 30 T HN 0.114 nan 8.240 nan 0.000 0.499 31 G N 1.019 109.788 108.800 -0.051 0.000 2.672 31 G HA2 0.714 4.674 3.960 0.001 0.000 0.292 31 G HA3 0.714 4.674 3.960 0.001 0.000 0.292 31 G C -1.696 173.229 174.900 0.042 0.000 1.375 31 G CA -0.690 44.395 45.100 -0.024 0.000 0.890 31 G HN 0.528 nan 8.290 nan 0.000 0.476 32 R N 0.183 120.756 120.500 0.122 0.000 2.534 32 R HA 0.454 4.795 4.340 0.001 0.000 0.301 32 R C -0.647 175.751 176.300 0.163 0.000 0.961 32 R CA -0.658 55.530 56.100 0.147 0.000 0.871 32 R CB 2.280 32.686 30.300 0.176 0.000 1.170 32 R HN 0.346 nan 8.270 nan 0.000 0.446 33 V N 5.426 125.427 119.914 0.146 0.000 2.521 33 V HA 0.019 4.140 4.120 0.001 0.000 0.286 33 V C 1.709 177.862 176.094 0.099 0.000 1.034 33 V CA 0.288 62.677 62.300 0.148 0.000 1.045 33 V CB 0.737 32.657 31.823 0.163 0.000 0.974 33 V HN 0.727 nan 8.190 nan 0.000 0.480 34 L N 3.730 125.008 121.223 0.093 0.000 2.298 34 L HA 0.475 4.816 4.340 0.001 0.000 0.209 34 L C 0.879 177.766 176.870 0.029 0.000 1.084 34 L CA 1.027 55.897 54.840 0.050 0.000 0.816 34 L CB 0.139 42.232 42.059 0.057 0.000 0.967 34 L HN 0.824 nan 8.230 nan 0.000 0.460 35 A N -0.753 122.088 122.820 0.035 0.000 2.590 35 A HA 0.566 4.887 4.320 0.001 0.000 0.296 35 A C -1.792 175.795 177.584 0.004 0.000 1.050 35 A CA -0.382 51.663 52.037 0.012 0.000 0.697 35 A CB 1.541 20.544 19.000 0.006 0.000 1.277 35 A HN -0.215 nan 8.150 nan 0.000 0.411 36 V N 0.579 120.482 119.914 -0.019 0.000 2.777 36 V HA 0.958 5.078 4.120 0.001 0.000 0.306 36 V C -0.225 175.840 176.094 -0.048 0.000 1.112 36 V CA 0.841 63.114 62.300 -0.045 0.000 0.917 36 V CB 1.795 33.570 31.823 -0.081 0.000 1.018 36 V HN 2.568 nan 8.190 nan 0.000 0.426 37 G N 3.292 112.059 108.800 -0.054 0.000 2.519 37 G HA2 0.529 4.490 3.960 0.001 0.000 0.292 37 G HA3 0.529 4.490 3.960 0.001 0.000 0.292 37 G C -0.831 174.036 174.900 -0.055 0.000 1.507 37 G CA 0.178 45.248 45.100 -0.050 0.000 0.806 37 G HN 1.025 nan 8.290 nan 0.000 0.523 38 D N -0.885 119.483 120.400 -0.053 0.000 2.911 38 D HA -0.135 4.506 4.640 0.001 0.000 0.227 38 D C 1.718 177.975 176.300 -0.071 0.000 1.164 38 D CA 3.112 57.079 54.000 -0.056 0.000 0.782 38 D CB -1.189 39.580 40.800 -0.052 0.000 1.094 38 D HN 2.216 nan 8.370 nan 0.000 0.425 39 G N -1.675 107.076 108.800 -0.081 0.000 2.179 39 G HA2 -0.302 3.659 3.960 0.001 0.000 0.260 39 G HA3 -0.302 3.659 3.960 0.001 0.000 0.260 39 G C 0.207 175.036 174.900 -0.119 0.000 0.977 39 G CA 0.372 45.411 45.100 -0.102 0.000 0.641 39 G HN 0.469 nan 8.290 nan 0.000 0.533 40 I N 1.084 121.596 120.570 -0.097 0.000 2.412 40 I HA 0.741 4.912 4.170 0.001 0.000 0.296 40 I C 0.556 176.634 176.117 -0.066 0.000 0.987 40 I CA -1.196 60.056 61.300 -0.079 0.000 1.180 40 I CB 1.336 39.300 38.000 -0.059 0.000 1.340 40 I HN 0.355 nan 8.210 nan 0.000 0.455 41 A N 6.913 129.713 122.820 -0.034 0.000 2.304 41 A HA 0.686 5.007 4.320 0.001 0.000 0.323 41 A C -0.049 177.574 177.584 0.065 0.000 1.195 41 A CA -0.715 51.330 52.037 0.013 0.000 0.826 41 A CB 0.764 19.790 19.000 0.043 0.000 1.184 41 A HN 0.700 nan 8.150 nan 0.000 0.496 42 R N 1.336 121.871 120.500 0.058 0.000 2.254 42 R HA 0.539 4.880 4.340 0.001 0.000 0.318 42 R C -1.157 175.208 176.300 0.110 0.000 1.031 42 R CA -0.228 55.915 56.100 0.071 0.000 0.905 42 R CB 1.472 31.801 30.300 0.049 0.000 1.050 42 R HN 0.467 nan 8.270 nan 0.000 0.456 43 V N 4.601 124.586 119.914 0.118 0.000 2.656 43 V HA 0.350 4.471 4.120 0.001 0.000 0.307 43 V C -0.840 175.347 176.094 0.155 0.000 1.051 43 V CA -0.854 61.528 62.300 0.137 0.000 0.893 43 V CB 1.771 33.658 31.823 0.106 0.000 0.999 43 V HN 0.547 nan 8.190 nan 0.000 0.426 44 F N 3.880 123.841 119.950 0.019 0.000 2.404 44 F HA 0.804 5.332 4.527 0.001 0.000 0.339 44 F C 0.745 176.545 175.800 0.001 0.000 1.105 44 F CA 1.120 59.125 58.000 0.009 0.000 1.087 44 F CB 1.217 40.223 39.000 0.010 0.000 1.143 44 F HN 0.907 nan 8.300 nan 0.000 0.491 45 G N 4.273 112.612 108.800 -0.768 0.000 2.513 45 G HA2 -0.185 3.775 3.960 0.001 0.000 0.227 45 G HA3 -0.185 3.775 3.960 0.001 0.000 0.227 45 G C -0.074 174.664 174.900 -0.271 0.000 1.176 45 G CA -0.457 44.308 45.100 -0.559 0.000 0.967 45 G HN 1.415 nan 8.290 nan 0.000 0.587 46 L N -0.124 120.993 121.223 -0.177 0.000 3.879 46 L HA -0.204 4.136 4.340 0.001 0.000 0.481 46 L C 1.310 178.110 176.870 -0.117 0.000 1.232 46 L CA 0.527 55.294 54.840 -0.121 0.000 0.736 46 L CB -1.374 40.626 42.059 -0.099 0.000 1.511 46 L HN 0.617 nan 8.230 nan 0.000 0.830 47 N N 0.199 118.824 118.700 -0.126 0.000 2.396 47 N HA -0.056 4.685 4.740 0.001 0.000 0.180 47 N C 1.295 176.762 175.510 -0.071 0.000 1.028 47 N CA 0.940 53.925 53.050 -0.108 0.000 0.893 47 N CB 0.013 38.431 38.487 -0.114 0.000 0.967 47 N HN 0.546 nan 8.380 nan 0.000 0.440 48 N N 0.648 119.311 118.700 -0.062 0.000 2.299 48 N HA 0.151 4.892 4.740 0.001 0.000 0.187 48 N C 0.408 175.895 175.510 -0.038 0.000 1.099 48 N CA -0.169 52.854 53.050 -0.045 0.000 0.867 48 N CB 0.699 39.163 38.487 -0.039 0.000 0.974 48 N HN 0.255 nan 8.380 nan 0.000 0.477 49 I N 1.405 121.948 120.570 -0.045 0.000 2.872 49 I HA -0.156 4.014 4.170 0.001 0.000 0.291 49 I C 0.207 176.310 176.117 -0.024 0.000 1.216 49 I CA 0.246 61.524 61.300 -0.035 0.000 1.424 49 I CB 0.557 38.532 38.000 -0.042 0.000 1.351 49 I HN 0.111 nan 8.210 nan 0.000 0.592 50 Q N 5.248 125.040 119.800 -0.014 0.000 2.227 50 Q HA 0.520 4.860 4.340 0.001 0.000 0.245 50 Q C -0.171 175.830 176.000 0.002 0.000 0.926 50 Q CA -0.904 54.896 55.803 -0.005 0.000 0.895 50 Q CB 1.373 30.111 28.738 0.000 0.000 1.230 50 Q HN 0.771 nan 8.270 nan 0.000 0.450 51 A N 1.910 124.734 122.820 0.005 0.000 2.520 51 A HA 0.039 4.360 4.320 0.001 0.000 0.245 51 A C 0.041 177.639 177.584 0.024 0.000 1.072 51 A CA 0.192 52.237 52.037 0.013 0.000 0.761 51 A CB -0.270 18.738 19.000 0.013 0.000 1.004 51 A HN 0.957 nan 8.150 nan 0.000 0.499 52 E N -0.525 119.696 120.200 0.035 0.000 2.791 52 E HA -0.219 4.131 4.350 0.001 0.000 0.271 52 E C 0.097 176.734 176.600 0.062 0.000 1.044 52 E CA 1.216 57.650 56.400 0.057 0.000 0.814 52 E CB -1.436 28.297 29.700 0.055 0.000 1.400 52 E HN 0.893 nan 8.360 nan 0.000 0.423 53 E N 0.687 120.914 120.200 0.046 0.000 2.331 53 E HA 0.330 4.681 4.350 0.001 0.000 0.272 53 E C -0.397 176.244 176.600 0.068 0.000 1.036 53 E CA -0.569 55.857 56.400 0.042 0.000 0.864 53 E CB 0.729 30.438 29.700 0.015 0.000 1.035 53 E HN 0.143 nan 8.360 nan 0.000 0.408 54 L N 5.176 126.444 121.223 0.076 0.000 2.397 54 L HA 0.260 4.601 4.340 0.001 0.000 0.271 54 L C -0.576 176.327 176.870 0.055 0.000 1.148 54 L CA -0.083 54.826 54.840 0.115 0.000 0.825 54 L CB 1.234 43.353 42.059 0.100 0.000 1.117 54 L HN 0.448 nan 8.230 nan 0.000 0.456 55 V N 1.311 121.257 119.914 0.053 0.000 3.046 55 V HA 0.705 4.826 4.120 0.001 0.000 0.316 55 V C -0.854 175.190 176.094 -0.083 0.000 1.104 55 V CA -0.806 61.447 62.300 -0.078 0.000 1.006 55 V CB 1.859 33.547 31.823 -0.225 0.000 1.058 55 V HN 0.854 nan 8.190 nan 0.000 0.440 56 E N 0.850 120.942 120.200 -0.180 0.000 2.210 56 E HA 0.606 4.956 4.350 0.001 0.000 0.266 56 E C -1.641 174.817 176.600 -0.237 0.000 0.883 56 E CA -0.651 55.692 56.400 -0.095 0.000 0.761 56 E CB 1.677 31.366 29.700 -0.017 0.000 1.156 56 E HN 0.623 nan 8.360 nan 0.000 0.412 57 F N 1.595 121.571 119.950 0.044 0.000 2.380 57 F HA 0.223 4.751 4.527 0.001 0.000 0.321 57 F C 1.815 177.634 175.800 0.031 0.000 1.103 57 F CA -0.396 57.625 58.000 0.035 0.000 1.067 57 F CB 1.355 40.376 39.000 0.034 0.000 1.265 57 F HN 0.504 nan 8.300 nan 0.000 0.517 58 S N 0.112 115.941 115.700 0.216 0.000 2.380 58 S HA -0.238 4.233 4.470 0.001 0.000 0.229 58 S C 2.023 176.691 174.600 0.112 0.000 1.043 58 S CA 1.936 60.211 58.200 0.126 0.000 1.038 58 S CB -0.606 62.657 63.200 0.106 0.000 0.872 58 S HN 0.722 nan 8.310 nan 0.000 0.456 59 S N 0.168 115.946 115.700 0.130 0.000 2.555 59 S HA 0.307 4.778 4.470 0.001 0.000 0.230 59 S C 1.572 176.227 174.600 0.093 0.000 0.978 59 S CA 0.792 59.045 58.200 0.089 0.000 0.934 59 S CB -0.135 63.105 63.200 0.067 0.000 0.766 59 S HN 0.867 nan 8.310 nan 0.000 0.533 60 G N 0.130 109.005 108.800 0.124 0.000 2.195 60 G HA2 -0.238 3.722 3.960 0.001 0.000 0.224 60 G HA3 -0.238 3.722 3.960 0.001 0.000 0.224 60 G C 0.121 175.106 174.900 0.141 0.000 0.990 60 G CA -0.064 45.102 45.100 0.110 0.000 0.639 60 G HN 0.787 nan 8.290 nan 0.000 0.514 61 V N 1.097 121.118 119.914 0.178 0.000 2.740 61 V HA 0.542 4.663 4.120 0.001 0.000 0.303 61 V C 0.724 177.029 176.094 0.352 0.000 1.054 61 V CA 0.403 62.825 62.300 0.205 0.000 1.106 61 V CB 1.138 33.028 31.823 0.112 0.000 0.957 61 V HN 0.346 nan 8.190 nan 0.000 0.486 62 K N 3.481 124.091 120.400 0.350 0.000 2.185 62 K HA 0.800 5.120 4.320 0.001 0.000 0.240 62 K C -0.041 176.910 176.600 0.586 0.000 0.983 62 K CA -0.072 56.472 56.287 0.428 0.000 0.873 62 K CB 1.884 34.570 32.500 0.309 0.000 1.118 62 K HN 0.919 nan 8.250 nan 0.000 0.441 63 G N 0.407 109.530 108.800 0.538 0.000 2.708 63 G HA2 0.586 4.547 3.960 0.001 0.000 0.289 63 G HA3 0.586 4.547 3.960 0.001 0.000 0.289 63 G C -1.808 173.279 174.900 0.313 0.000 1.416 63 G CA -0.696 44.618 45.100 0.356 0.000 0.829 63 G HN 0.482 nan 8.290 nan 0.000 0.480 64 M N 1.257 120.915 119.600 0.096 0.000 2.204 64 M HA 0.631 5.111 4.480 0.001 0.000 0.293 64 M C -0.086 176.249 176.300 0.058 0.000 0.994 64 M CA -0.838 54.550 55.300 0.146 0.000 0.925 64 M CB 1.765 34.487 32.600 0.203 0.000 1.577 64 M HN 0.765 nan 8.290 nan 0.000 0.439 65 A N 4.566 127.422 122.820 0.059 0.000 2.500 65 A HA 0.205 4.525 4.320 0.001 0.000 0.285 65 A C 0.288 177.886 177.584 0.024 0.000 1.183 65 A CA -0.114 51.941 52.037 0.030 0.000 0.851 65 A CB -0.233 18.777 19.000 0.017 0.000 1.091 65 A HN 0.968 nan 8.150 nan 0.000 0.521 66 L N 2.690 123.918 121.223 0.008 0.000 2.262 66 L HA 0.230 4.571 4.340 0.001 0.000 0.197 66 L C 0.649 177.520 176.870 0.002 0.000 1.073 66 L CA 1.524 56.364 54.840 -0.000 0.000 0.800 66 L CB -0.078 41.963 42.059 -0.030 0.000 0.987 66 L HN 0.837 nan 8.230 nan 0.000 0.470 67 N N 0.005 118.705 118.700 -0.001 0.000 2.491 67 N HA 0.373 5.113 4.740 0.001 0.000 0.274 67 N C -1.664 173.848 175.510 0.003 0.000 1.023 67 N CA -0.485 52.566 53.050 0.001 0.000 0.902 67 N CB 0.603 39.088 38.487 -0.003 0.000 1.267 67 N HN 0.136 nan 8.380 nan 0.000 0.503 68 L N 1.354 122.578 121.223 0.002 0.000 2.265 68 L HA 0.489 4.830 4.340 0.001 0.000 0.288 68 L C 0.261 177.131 176.870 -0.000 0.000 1.058 68 L CA -0.454 54.385 54.840 -0.002 0.000 0.809 68 L CB 0.607 42.662 42.059 -0.007 0.000 1.179 68 L HN 0.558 nan 8.230 nan 0.000 0.429 69 E N 3.670 123.872 120.200 0.003 0.000 2.359 69 E HA 0.443 4.793 4.350 0.001 0.000 0.266 69 E C -2.472 174.133 176.600 0.009 0.000 0.920 69 E CA -2.115 54.290 56.400 0.008 0.000 0.788 69 E CB 1.774 31.484 29.700 0.016 0.000 1.279 69 E HN 0.365 nan 8.360 nan 0.000 0.438 70 P HA -0.023 nan 4.420 nan 0.000 0.260 70 P C 0.576 177.900 177.300 0.041 0.000 1.185 70 P CA 0.865 63.976 63.100 0.018 0.000 0.763 70 P CB 0.240 31.953 31.700 0.021 0.000 0.776 71 G N 2.328 111.153 108.800 0.041 0.000 2.184 71 G HA2 -0.228 3.732 3.960 0.001 0.000 0.264 71 G HA3 -0.228 3.732 3.960 0.001 0.000 0.264 71 G C -0.060 174.936 174.900 0.160 0.000 0.975 71 G CA 0.656 45.825 45.100 0.115 0.000 0.642 71 G HN 0.860 nan 8.290 nan 0.000 0.536 72 Q N -1.927 117.918 119.800 0.076 0.000 2.633 72 Q HA 0.695 5.036 4.340 0.001 0.000 0.289 72 Q C -1.396 174.622 176.000 0.030 0.000 0.940 72 Q CA -1.154 54.697 55.803 0.080 0.000 0.785 72 Q CB 1.901 30.713 28.738 0.124 0.000 1.467 72 Q HN 0.541 nan 8.270 nan 0.000 0.401 73 V N 0.357 120.288 119.914 0.029 0.000 2.680 73 V HA 0.793 4.914 4.120 0.001 0.000 0.309 73 V C 0.128 176.243 176.094 0.035 0.000 1.052 73 V CA -0.280 62.031 62.300 0.017 0.000 0.908 73 V CB 1.806 33.629 31.823 -0.001 0.000 1.001 73 V HN 0.862 nan 8.190 nan 0.000 0.431 74 G N 3.821 112.636 108.800 0.024 0.000 2.329 74 G HA2 0.677 4.638 3.960 0.001 0.000 0.309 74 G HA3 0.677 4.638 3.960 0.001 0.000 0.309 74 G C -0.853 174.060 174.900 0.022 0.000 1.110 74 G CA -0.306 44.807 45.100 0.022 0.000 0.923 74 G HN 0.588 nan 8.290 nan 0.000 0.430 75 I N 2.564 123.164 120.570 0.050 0.000 2.362 75 I HA 0.173 4.344 4.170 0.001 0.000 0.289 75 I C 0.039 176.155 176.117 -0.002 0.000 0.994 75 I CA -0.833 60.507 61.300 0.066 0.000 1.158 75 I CB 2.241 40.364 38.000 0.205 0.000 1.315 75 I HN 0.099 nan 8.210 nan 0.000 0.451 76 V N 7.292 127.149 119.914 -0.094 0.000 2.508 76 V HA 0.189 4.310 4.120 0.001 0.000 0.281 76 V C 0.417 176.300 176.094 -0.352 0.000 1.041 76 V CA -0.344 61.824 62.300 -0.221 0.000 1.016 76 V CB 0.697 32.350 31.823 -0.284 0.000 0.984 76 V HN 0.454 nan 8.190 nan 0.000 0.478 77 L N 4.836 125.872 121.223 -0.312 0.000 2.350 77 L HA 0.411 4.752 4.340 0.001 0.000 0.275 77 L C 0.018 176.661 176.870 -0.378 0.000 1.099 77 L CA -0.259 54.406 54.840 -0.291 0.000 0.808 77 L CB 0.649 42.574 42.059 -0.224 0.000 1.149 77 L HN 0.532 nan 8.230 nan 0.000 0.442 78 F N 1.178 121.168 119.950 0.066 0.000 2.898 78 F HA 0.448 4.975 4.527 0.001 0.000 0.290 78 F C 0.989 176.817 175.800 0.046 0.000 1.195 78 F CA -0.348 57.695 58.000 0.072 0.000 1.387 78 F CB 0.257 39.315 39.000 0.096 0.000 0.976 78 F HN 0.518 nan 8.300 nan 0.000 0.510 79 G N -1.178 107.686 108.800 0.106 0.000 2.554 79 G HA2 0.322 4.283 3.960 0.001 0.000 0.306 79 G HA3 0.322 4.283 3.960 0.001 0.000 0.306 79 G C -1.179 173.721 174.900 0.001 0.000 1.320 79 G CA -0.795 44.345 45.100 0.066 0.000 0.800 79 G HN -0.059 nan 8.290 nan 0.000 0.481 80 S N -0.931 114.767 115.700 -0.003 0.000 2.566 80 S HA 0.171 4.642 4.470 0.001 0.000 0.280 80 S C 0.866 175.428 174.600 -0.063 0.000 1.343 80 S CA 0.305 58.490 58.200 -0.024 0.000 1.036 80 S CB 0.544 63.737 63.200 -0.012 0.000 0.866 80 S HN 0.408 nan 8.310 nan 0.000 0.526 81 D N 2.166 122.524 120.400 -0.070 0.000 2.269 81 D HA -0.037 4.604 4.640 0.001 0.000 0.208 81 D C 1.902 178.151 176.300 -0.086 0.000 0.963 81 D CA 0.579 54.521 54.000 -0.097 0.000 0.864 81 D CB -0.188 40.564 40.800 -0.079 0.000 0.936 81 D HN 0.624 nan 8.370 nan 0.000 0.505 82 R N 0.518 120.985 120.500 -0.057 0.000 2.127 82 R HA -0.061 4.280 4.340 0.001 0.000 0.238 82 R C 1.494 177.765 176.300 -0.049 0.000 1.134 82 R CA 0.795 56.870 56.100 -0.042 0.000 0.975 82 R CB -0.212 30.074 30.300 -0.024 0.000 0.865 82 R HN 0.178 nan 8.270 nan 0.000 0.447 83 L N 1.036 122.222 121.223 -0.062 0.000 2.660 83 L HA 0.144 4.484 4.340 0.001 0.000 0.238 83 L C -0.710 176.099 176.870 -0.102 0.000 1.161 83 L CA -0.252 54.554 54.840 -0.057 0.000 0.937 83 L CB 0.671 42.707 42.059 -0.037 0.000 1.122 83 L HN -0.044 nan 8.230 nan 0.000 0.435 84 V N -0.633 119.200 119.914 -0.136 0.000 2.711 84 V HA 0.338 4.459 4.120 0.001 0.000 0.304 84 V C -0.380 175.662 176.094 -0.086 0.000 1.097 84 V CA -0.988 61.209 62.300 -0.173 0.000 0.906 84 V CB 2.288 33.845 31.823 -0.444 0.000 1.015 84 V HN 0.097 nan 8.190 nan 0.000 0.427 85 K N 1.752 122.139 120.400 -0.022 0.000 2.306 85 K HA 0.570 4.891 4.320 0.001 0.000 0.236 85 K C -0.517 176.097 176.600 0.023 0.000 1.013 85 K CA -0.920 55.365 56.287 -0.003 0.000 0.857 85 K CB 2.501 35.006 32.500 0.008 0.000 1.214 85 K HN 0.723 nan 8.250 nan 0.000 0.449 86 E N 0.122 120.332 120.200 0.017 0.000 2.344 86 E HA 0.100 4.451 4.350 0.001 0.000 0.270 86 E C 0.365 176.986 176.600 0.035 0.000 1.021 86 E CA 0.782 57.199 56.400 0.028 0.000 0.887 86 E CB 0.390 30.098 29.700 0.012 0.000 0.997 86 E HN 0.809 nan 8.360 nan 0.000 0.429 87 G N 3.895 112.724 108.800 0.050 0.000 2.218 87 G HA2 -0.237 3.724 3.960 0.001 0.000 0.216 87 G HA3 -0.237 3.724 3.960 0.001 0.000 0.216 87 G C 0.117 175.055 174.900 0.063 0.000 0.994 87 G CA -0.001 45.127 45.100 0.047 0.000 0.637 87 G HN 0.583 nan 8.290 nan 0.000 0.505 88 E N -0.110 120.140 120.200 0.083 0.000 2.390 88 E HA 0.498 4.849 4.350 0.001 0.000 0.261 88 E C 0.057 176.721 176.600 0.106 0.000 1.076 88 E CA -0.605 55.855 56.400 0.099 0.000 0.905 88 E CB 1.298 31.076 29.700 0.131 0.000 0.984 88 E HN 0.238 nan 8.360 nan 0.000 0.427 89 L N 2.450 123.723 121.223 0.083 0.000 2.371 89 L HA 0.192 4.533 4.340 0.001 0.000 0.272 89 L C -1.084 175.798 176.870 0.020 0.000 1.124 89 L CA -0.183 54.687 54.840 0.049 0.000 0.816 89 L CB 1.171 43.249 42.059 0.031 0.000 1.129 89 L HN 0.202 nan 8.230 nan 0.000 0.448 90 V N 3.659 123.539 119.914 -0.058 0.000 2.487 90 V HA 0.483 4.604 4.120 0.001 0.000 0.298 90 V C -0.408 175.582 176.094 -0.174 0.000 1.028 90 V CA -0.987 61.176 62.300 -0.227 0.000 0.860 90 V CB 1.517 33.117 31.823 -0.370 0.000 0.991 90 V HN 0.622 nan 8.190 nan 0.000 0.427 91 K N 3.349 123.643 120.400 -0.176 0.000 2.183 91 K HA 0.543 4.863 4.320 0.001 0.000 0.274 91 K C 0.151 176.678 176.600 -0.122 0.000 1.009 91 K CA -0.599 55.620 56.287 -0.112 0.000 0.888 91 K CB 1.446 33.905 32.500 -0.069 0.000 1.078 91 K HN 0.565 nan 8.250 nan 0.000 0.459 92 R N 0.619 121.065 120.500 -0.090 0.000 2.811 92 R HA -0.032 4.308 4.340 0.001 0.000 0.265 92 R C 0.612 176.882 176.300 -0.049 0.000 1.026 92 R CA 0.518 56.576 56.100 -0.069 0.000 1.142 92 R CB 0.429 30.697 30.300 -0.053 0.000 1.027 92 R HN 0.639 nan 8.270 nan 0.000 0.465 93 T N -0.362 114.171 114.554 -0.034 0.000 2.955 93 T HA 0.167 4.518 4.350 0.001 0.000 0.251 93 T C 1.089 175.782 174.700 -0.012 0.000 1.002 93 T CA 0.637 62.726 62.100 -0.018 0.000 0.970 93 T CB 0.470 69.334 68.868 -0.006 0.000 1.091 93 T HN 0.904 nan 8.240 nan 0.000 0.495 94 G N 2.093 110.885 108.800 -0.013 0.000 2.320 94 G HA2 -0.217 3.744 3.960 0.001 0.000 0.242 94 G HA3 -0.217 3.744 3.960 0.001 0.000 0.242 94 G C 0.034 174.933 174.900 -0.002 0.000 1.033 94 G CA -0.156 44.939 45.100 -0.009 0.000 0.620 94 G HN 0.493 nan 8.290 nan 0.000 0.517 95 N N 1.420 120.121 118.700 0.003 0.000 2.424 95 N HA 0.499 5.240 4.740 0.001 0.000 0.271 95 N C 0.509 176.030 175.510 0.018 0.000 0.985 95 N CA -0.603 52.452 53.050 0.008 0.000 0.921 95 N CB 1.351 39.841 38.487 0.006 0.000 1.149 95 N HN 0.158 nan 8.380 nan 0.000 0.492 96 I N 1.335 121.916 120.570 0.019 0.000 2.932 96 I HA -0.080 4.091 4.170 0.001 0.000 0.295 96 I C 0.960 177.097 176.117 0.033 0.000 1.227 96 I CA -0.134 61.183 61.300 0.029 0.000 1.429 96 I CB -0.169 37.844 38.000 0.021 0.000 1.339 96 I HN 0.177 nan 8.210 nan 0.000 0.589 97 V N 6.389 126.336 119.914 0.054 0.000 2.555 97 V HA -0.070 4.050 4.120 0.001 0.000 0.299 97 V C 0.323 176.427 176.094 0.016 0.000 1.012 97 V CA 0.395 62.723 62.300 0.047 0.000 1.180 97 V CB -0.770 31.109 31.823 0.094 0.000 0.887 97 V HN 0.950 nan 8.190 nan 0.000 0.476 98 D N 4.179 124.577 120.400 -0.003 0.000 2.652 98 D HA 0.771 5.412 4.640 0.001 0.000 0.285 98 D C -0.682 175.605 176.300 -0.021 0.000 1.173 98 D CA -0.582 53.415 54.000 -0.005 0.000 0.981 98 D CB 2.232 43.031 40.800 -0.000 0.000 1.440 98 D HN 0.464 nan 8.370 nan 0.000 0.485 99 V N -5.359 114.547 119.914 -0.014 0.000 3.147 99 V HA 0.686 4.807 4.120 0.001 0.000 0.306 99 V C -2.956 173.121 176.094 -0.028 0.000 1.209 99 V CA -2.213 60.073 62.300 -0.024 0.000 1.023 99 V CB 1.521 33.334 31.823 -0.017 0.000 1.059 99 V HN 0.502 nan 8.190 nan 0.000 0.435 100 P HA 0.426 nan 4.420 nan 0.000 0.269 100 P C -0.562 176.686 177.300 -0.086 0.000 1.209 100 P CA 0.073 63.133 63.100 -0.065 0.000 0.776 100 P CB 0.976 32.634 31.700 -0.070 0.000 0.876 101 V N -1.324 118.506 119.914 -0.140 0.000 3.159 101 V HA 1.024 5.145 4.120 0.001 0.000 0.308 101 V C -0.134 175.661 176.094 -0.499 0.000 1.190 101 V CA -0.384 61.780 62.300 -0.227 0.000 1.037 101 V CB 1.474 33.241 31.823 -0.093 0.000 1.060 101 V HN 0.976 nan 8.190 nan 0.000 0.437 102 G N 1.372 109.636 108.800 -0.894 0.000 2.357 102 G HA2 0.206 4.167 3.960 0.001 0.000 0.643 102 G HA3 0.206 4.167 3.960 0.001 0.000 0.643 102 G C -2.462 171.741 174.900 -1.161 0.000 1.358 102 G CA -0.012 44.147 45.100 -1.570 0.000 0.986 102 G HN 0.761 nan 8.290 nan 0.000 0.620 103 P HA -0.019 nan 4.420 nan 0.000 0.225 103 P C 1.838 178.971 177.300 -0.280 0.000 1.148 103 P CA 1.705 64.470 63.100 -0.559 0.000 0.779 103 P CB -0.159 31.287 31.700 -0.423 0.000 0.780 104 G N 0.144 108.758 108.800 -0.311 0.000 2.498 104 G HA2 -0.172 3.789 3.960 0.001 0.000 0.219 104 G HA3 -0.172 3.789 3.960 0.001 0.000 0.219 104 G C 1.299 176.125 174.900 -0.124 0.000 1.119 104 G CA 0.255 45.248 45.100 -0.178 0.000 0.766 104 G HN 0.206 nan 8.290 nan 0.000 0.552 105 L N 0.074 121.215 121.223 -0.137 0.000 2.478 105 L HA 0.234 4.575 4.340 0.001 0.000 0.223 105 L C 0.837 177.708 176.870 0.002 0.000 1.140 105 L CA -0.063 54.741 54.840 -0.061 0.000 0.842 105 L CB -0.462 41.563 42.059 -0.056 0.000 0.953 105 L HN 0.043 nan 8.230 nan 0.000 0.452 106 L N 0.714 121.951 121.223 0.024 0.000 2.540 106 L HA 0.195 4.535 4.340 0.001 0.000 0.276 106 L C 1.510 178.401 176.870 0.035 0.000 1.212 106 L CA 1.144 56.026 54.840 0.071 0.000 0.893 106 L CB -0.478 41.642 42.059 0.102 0.000 1.138 106 L HN 0.448 nan 8.230 nan 0.000 0.491 107 G N 2.479 111.295 108.800 0.027 0.000 2.179 107 G HA2 -0.236 3.725 3.960 0.001 0.000 0.260 107 G HA3 -0.236 3.725 3.960 0.001 0.000 0.260 107 G C 0.561 175.458 174.900 -0.004 0.000 0.977 107 G CA -0.098 45.000 45.100 -0.004 0.000 0.641 107 G HN 0.462 nan 8.290 nan 0.000 0.533 108 R N -0.335 120.169 120.500 0.007 0.000 2.668 108 R HA 0.700 5.041 4.340 0.001 0.000 0.279 108 R C -0.146 176.162 176.300 0.014 0.000 0.976 108 R CA -0.737 55.366 56.100 0.004 0.000 0.978 108 R CB 1.726 32.025 30.300 -0.003 0.000 1.133 108 R HN 0.237 nan 8.270 nan 0.000 0.484 109 V N 2.666 122.588 119.914 0.013 0.000 2.417 109 V HA 0.499 4.619 4.120 0.001 0.000 0.291 109 V C 0.195 176.302 176.094 0.020 0.000 1.024 109 V CA -0.814 61.500 62.300 0.024 0.000 0.861 109 V CB 1.543 33.380 31.823 0.025 0.000 0.985 109 V HN 0.603 nan 8.190 nan 0.000 0.436 110 V N 0.936 120.865 119.914 0.026 0.000 3.102 110 V HA 0.845 4.966 4.120 0.001 0.000 0.312 110 V C -0.585 175.522 176.094 0.021 0.000 1.135 110 V CA -0.850 61.460 62.300 0.016 0.000 1.022 110 V CB 2.180 34.008 31.823 0.007 0.000 1.056 110 V HN 0.813 nan 8.190 nan 0.000 0.436 111 D N 1.546 121.954 120.400 0.013 0.000 2.451 111 D HA 0.551 5.192 4.640 0.001 0.000 0.259 111 D C 1.145 177.444 176.300 -0.001 0.000 1.201 111 D CA 0.003 54.011 54.000 0.014 0.000 1.028 111 D CB 1.353 42.162 40.800 0.015 0.000 1.095 111 D HN 0.849 nan 8.370 nan 0.000 0.539 112 A N -0.392 122.427 122.820 -0.003 0.000 2.019 112 A HA -0.048 4.273 4.320 0.001 0.000 0.219 112 A C 2.145 179.690 177.584 -0.066 0.000 1.164 112 A CA 0.845 52.872 52.037 -0.016 0.000 0.644 112 A CB -0.806 18.198 19.000 0.008 0.000 0.805 112 A HN 0.553 nan 8.150 nan 0.000 0.449 113 L N -1.289 119.872 121.223 -0.104 0.000 2.612 113 L HA 0.203 4.544 4.340 0.001 0.000 0.230 113 L C 1.646 178.471 176.870 -0.076 0.000 1.140 113 L CA 0.509 55.265 54.840 -0.140 0.000 0.896 113 L CB -0.067 41.869 42.059 -0.205 0.000 1.065 113 L HN 0.578 nan 8.230 nan 0.000 0.447 114 G N -0.437 108.336 108.800 -0.045 0.000 2.176 114 G HA2 -0.261 3.700 3.960 0.001 0.000 0.253 114 G HA3 -0.261 3.700 3.960 0.001 0.000 0.253 114 G C 0.200 175.085 174.900 -0.025 0.000 0.979 114 G CA -0.309 44.773 45.100 -0.031 0.000 0.641 114 G HN 0.394 nan 8.290 nan 0.000 0.530 115 N N 2.545 121.232 118.700 -0.023 0.000 2.475 115 N HA 0.314 5.055 4.740 0.001 0.000 0.267 115 N C -2.422 173.085 175.510 -0.005 0.000 1.169 115 N CA -0.710 52.332 53.050 -0.013 0.000 0.947 115 N CB 1.275 39.757 38.487 -0.008 0.000 1.061 115 N HN 0.218 nan 8.380 nan 0.000 0.466 116 P HA 0.037 nan 4.420 nan 0.000 0.268 116 P C 0.526 177.829 177.300 0.005 0.000 1.204 116 P CA 0.154 63.254 63.100 -0.001 0.000 0.768 116 P CB 0.436 32.133 31.700 -0.005 0.000 0.842 117 I N -0.532 120.044 120.570 0.010 0.000 4.009 117 I HA 0.228 4.399 4.170 0.001 0.000 0.331 117 I C 0.277 176.402 176.117 0.012 0.000 1.462 117 I CA -0.201 61.107 61.300 0.014 0.000 1.117 117 I CB -0.014 37.999 38.000 0.021 0.000 1.091 117 I HN 0.034 nan 8.210 nan 0.000 0.410 118 D N 0.860 121.265 120.400 0.008 0.000 2.363 118 D HA 0.197 4.838 4.640 0.001 0.000 0.214 118 D C 1.540 177.841 176.300 0.002 0.000 1.093 118 D CA 0.285 54.288 54.000 0.005 0.000 0.837 118 D CB 0.335 41.137 40.800 0.003 0.000 0.948 118 D HN 0.424 nan 8.370 nan 0.000 0.507 119 G N 0.875 109.677 108.800 0.002 0.000 2.162 119 G HA2 -0.367 3.593 3.960 0.001 0.000 0.260 119 G HA3 -0.367 3.593 3.960 0.001 0.000 0.260 119 G C 0.909 175.807 174.900 -0.002 0.000 0.976 119 G CA 0.481 45.581 45.100 0.001 0.000 0.655 119 G HN 0.462 nan 8.290 nan 0.000 0.533 120 K N 0.035 120.434 120.400 -0.003 0.000 2.358 120 K HA 0.484 4.805 4.320 0.001 0.000 0.200 120 K C 1.274 177.870 176.600 -0.008 0.000 1.030 120 K CA 0.490 56.773 56.287 -0.006 0.000 1.097 120 K CB 0.779 33.274 32.500 -0.008 0.000 0.862 120 K HN 1.459 nan 8.250 nan 0.000 0.534 121 G N 2.213 111.009 108.800 -0.007 0.000 2.661 121 G HA2 -0.156 3.805 3.960 0.001 0.000 0.685 121 G HA3 -0.156 3.805 3.960 0.001 0.000 0.685 121 G C -2.751 172.141 174.900 -0.012 0.000 1.298 121 G CA -1.399 43.696 45.100 -0.008 0.000 0.855 121 G HN -0.106 nan 8.290 nan 0.000 0.560 122 P HA 0.180 nan 4.420 nan 0.000 0.263 122 P C 0.718 178.002 177.300 -0.026 0.000 1.168 122 P CA -0.111 62.978 63.100 -0.018 0.000 0.759 122 P CB 0.259 31.949 31.700 -0.018 0.000 0.782 123 I N 2.586 123.137 120.570 -0.032 0.000 2.696 123 I HA -0.009 4.162 4.170 0.001 0.000 0.284 123 I C 0.890 176.973 176.117 -0.057 0.000 1.129 123 I CA 0.354 61.627 61.300 -0.045 0.000 1.410 123 I CB 0.289 38.260 38.000 -0.049 0.000 1.399 123 I HN 0.374 nan 8.210 nan 0.000 0.579 124 D N 4.972 125.329 120.400 -0.073 0.000 2.499 124 D HA 0.423 5.064 4.640 0.001 0.000 0.225 124 D C -0.236 175.989 176.300 -0.125 0.000 1.124 124 D CA -0.299 53.650 54.000 -0.084 0.000 0.938 124 D CB 0.451 41.205 40.800 -0.076 0.000 1.014 124 D HN 0.577 nan 8.370 nan 0.000 0.517 125 A N 2.632 125.382 122.820 -0.116 0.000 2.320 125 A HA 0.578 4.899 4.320 0.001 0.000 0.287 125 A C 1.359 178.851 177.584 -0.152 0.000 1.181 125 A CA -0.044 51.904 52.037 -0.148 0.000 0.831 125 A CB 0.972 19.908 19.000 -0.107 0.000 1.102 125 A HN 0.637 nan 8.150 nan 0.000 0.513 126 A N 2.378 125.059 122.820 -0.231 0.000 2.067 126 A HA 0.440 4.760 4.320 0.001 0.000 0.219 126 A C 1.284 178.825 177.584 -0.072 0.000 1.158 126 A CA 1.802 53.739 52.037 -0.167 0.000 0.661 126 A CB -0.406 18.434 19.000 -0.267 0.000 0.801 126 A HN 2.307 nan 8.150 nan 0.000 0.452 127 G N -1.820 106.931 108.800 -0.082 0.000 2.323 127 G HA2 0.458 4.419 3.960 0.001 0.000 0.291 127 G HA3 0.458 4.419 3.960 0.001 0.000 0.291 127 G C -1.409 173.471 174.900 -0.034 0.000 1.278 127 G CA -1.010 44.072 45.100 -0.030 0.000 0.860 127 G HN 0.280 nan 8.290 nan 0.000 0.504 128 R N -0.299 120.196 120.500 -0.009 0.000 2.621 128 R HA 0.743 5.084 4.340 0.001 0.000 0.292 128 R C -0.980 175.327 176.300 0.011 0.000 0.969 128 R CA -0.666 55.429 56.100 -0.008 0.000 0.887 128 R CB 2.199 32.492 30.300 -0.011 0.000 1.180 128 R HN 0.431 nan 8.270 nan 0.000 0.450 129 S N 1.470 117.179 115.700 0.015 0.000 2.532 129 S HA 0.442 4.913 4.470 0.001 0.000 0.301 129 S C -0.198 174.414 174.600 0.019 0.000 1.083 129 S CA -0.886 57.330 58.200 0.027 0.000 1.025 129 S CB 1.748 64.975 63.200 0.045 0.000 1.056 129 S HN 0.393 nan 8.310 nan 0.000 0.494 130 R N 0.676 121.187 120.500 0.019 0.000 2.784 130 R HA 0.200 4.541 4.340 0.001 0.000 0.266 130 R C 1.397 177.709 176.300 0.021 0.000 1.044 130 R CA 0.192 56.301 56.100 0.015 0.000 1.151 130 R CB 0.132 30.439 30.300 0.010 0.000 1.037 130 R HN 0.782 nan 8.270 nan 0.000 0.478 131 A N 2.363 125.192 122.820 0.016 0.000 1.873 131 A HA -0.107 4.213 4.320 0.001 0.000 0.215 131 A C 0.486 178.076 177.584 0.010 0.000 1.186 131 A CA 1.161 53.216 52.037 0.030 0.000 0.616 131 A CB 0.064 19.075 19.000 0.018 0.000 0.823 131 A HN 0.548 nan 8.150 nan 0.000 0.442 132 Q N 0.537 120.303 119.800 -0.057 0.000 2.421 132 Q HA 0.478 4.819 4.340 0.001 0.000 0.242 132 Q C -1.301 174.681 176.000 -0.030 0.000 1.024 132 Q CA -0.013 55.730 55.803 -0.101 0.000 0.891 132 Q CB 1.269 29.904 28.738 -0.172 0.000 1.222 132 Q HN 0.191 nan 8.270 nan 0.000 0.483 133 V N 2.505 122.420 119.914 0.002 0.000 2.555 133 V HA 0.329 4.449 4.120 0.001 0.000 0.302 133 V C 0.280 176.383 176.094 0.016 0.000 1.038 133 V CA -0.923 61.386 62.300 0.015 0.000 0.887 133 V CB 2.346 34.187 31.823 0.030 0.000 0.991 133 V HN 0.567 nan 8.190 nan 0.000 0.434 134 K N 2.348 122.758 120.400 0.016 0.000 2.295 134 K HA 0.569 4.889 4.320 0.001 0.000 0.270 134 K C 0.339 176.953 176.600 0.023 0.000 1.011 134 K CA -0.134 56.166 56.287 0.022 0.000 0.953 134 K CB 0.908 33.424 32.500 0.027 0.000 0.956 134 K HN 0.902 nan 8.250 nan 0.000 0.477 135 A N 4.781 127.616 122.820 0.026 0.000 2.445 135 A HA 0.213 4.534 4.320 0.001 0.000 0.242 135 A C -2.134 175.464 177.584 0.023 0.000 1.075 135 A CA -1.098 50.954 52.037 0.026 0.000 0.777 135 A CB -0.441 18.575 19.000 0.026 0.000 1.013 135 A HN 0.533 nan 8.150 nan 0.000 0.493 136 P HA 0.102 nan 4.420 nan 0.000 0.261 136 P C 0.822 178.134 177.300 0.020 0.000 1.173 136 P CA 0.960 64.070 63.100 0.017 0.000 0.760 136 P CB 0.342 32.051 31.700 0.016 0.000 0.783 137 G N 1.935 110.746 108.800 0.018 0.000 2.479 137 G HA2 0.053 4.014 3.960 0.001 0.000 0.275 137 G HA3 0.053 4.014 3.960 0.001 0.000 0.275 137 G C 1.006 175.919 174.900 0.021 0.000 1.421 137 G CA -0.384 44.728 45.100 0.021 0.000 1.059 137 G HN 0.358 nan 8.290 nan 0.000 0.535 138 I N -0.936 119.647 120.570 0.021 0.000 2.353 138 I HA -0.009 4.162 4.170 0.001 0.000 0.248 138 I C 2.488 178.616 176.117 0.017 0.000 1.119 138 I CA 0.477 61.790 61.300 0.021 0.000 1.417 138 I CB -0.238 37.774 38.000 0.020 0.000 1.078 138 I HN 0.211 nan 8.210 nan 0.000 0.421 139 L N 1.025 122.256 121.223 0.014 0.000 2.049 139 L HA 0.010 4.351 4.340 0.001 0.000 0.203 139 L C -0.669 176.208 176.870 0.011 0.000 1.074 139 L CA 1.907 56.754 54.840 0.011 0.000 0.749 139 L CB -1.829 40.235 42.059 0.008 0.000 0.907 139 L HN 0.159 nan 8.230 nan 0.000 0.439 140 P HA -0.009 nan 4.420 nan 0.000 0.259 140 P C -0.409 176.899 177.300 0.012 0.000 1.307 140 P CA 0.560 63.664 63.100 0.007 0.000 0.768 140 P CB -0.089 31.612 31.700 0.003 0.000 1.199 141 R N 0.145 120.656 120.500 0.018 0.000 2.778 141 R HA 0.635 4.975 4.340 0.001 0.000 0.277 141 R C 0.086 176.404 176.300 0.030 0.000 0.977 141 R CA -0.864 55.251 56.100 0.025 0.000 0.950 141 R CB 2.403 32.719 30.300 0.026 0.000 1.165 141 R HN -0.045 nan 8.270 nan 0.000 0.474 142 R N 0.573 121.099 120.500 0.043 0.000 2.725 142 R HA 0.247 4.587 4.340 0.001 0.000 0.277 142 R C -0.816 175.526 176.300 0.070 0.000 0.987 142 R CA -0.502 55.630 56.100 0.053 0.000 0.901 142 R CB 1.949 32.289 30.300 0.065 0.000 1.207 142 R HN 0.886 nan 8.270 nan 0.000 0.463 143 S N 1.720 117.460 115.700 0.066 0.000 2.558 143 S HA 0.065 4.536 4.470 0.001 0.000 0.288 143 S C 0.803 175.478 174.600 0.124 0.000 1.318 143 S CA -0.616 57.627 58.200 0.072 0.000 1.056 143 S CB 0.704 63.936 63.200 0.054 0.000 0.853 143 S HN 0.514 nan 8.310 nan 0.000 0.505 144 V N 2.054 122.015 119.914 0.077 0.000 2.585 144 V HA 0.348 4.468 4.120 0.001 0.000 0.296 144 V C 0.974 177.114 176.094 0.075 0.000 1.035 144 V CA 0.244 62.566 62.300 0.037 0.000 1.084 144 V CB -0.029 31.785 31.823 -0.014 0.000 0.953 144 V HN 1.187 nan 8.190 nan 0.000 0.483 145 H N 1.304 120.353 119.070 -0.035 0.000 3.787 145 H HA 0.410 4.967 4.556 0.001 0.000 0.262 145 H C -0.086 175.201 175.328 -0.068 0.000 1.181 145 H CA -0.291 55.732 56.048 -0.041 0.000 1.159 145 H CB 0.360 30.104 29.762 -0.031 0.000 1.563 145 H HN 0.701 nan 8.280 nan 0.000 0.699 146 E N 4.648 124.510 120.200 -0.563 0.000 2.156 146 E HA 0.295 4.646 4.350 0.001 0.000 0.279 146 E C -2.593 173.822 176.600 -0.308 0.000 0.965 146 E CA -2.185 53.941 56.400 -0.456 0.000 0.789 146 E CB 1.964 31.312 29.700 -0.586 0.000 1.098 146 E HN 0.216 nan 8.360 nan 0.000 0.397 147 P HA -0.019 nan 4.420 nan 0.000 0.271 147 P C -0.445 176.690 177.300 -0.275 0.000 1.216 147 P CA -0.113 62.855 63.100 -0.219 0.000 0.771 147 P CB 0.739 32.321 31.700 -0.196 0.000 0.864 148 V N 4.865 124.659 119.914 -0.201 0.000 2.320 148 V HA 0.087 4.208 4.120 0.001 0.000 0.265 148 V C 0.583 176.598 176.094 -0.133 0.000 1.048 148 V CA -0.296 61.889 62.300 -0.192 0.000 0.865 148 V CB 0.462 32.208 31.823 -0.129 0.000 1.043 148 V HN 0.440 nan 8.190 nan 0.000 0.474 149 Q N 2.847 122.553 119.800 -0.157 0.000 2.296 149 Q HA 0.161 4.502 4.340 0.001 0.000 0.263 149 Q C 1.391 177.431 176.000 0.066 0.000 1.026 149 Q CA 0.262 56.057 55.803 -0.013 0.000 0.912 149 Q CB 1.412 30.208 28.738 0.097 0.000 1.198 149 Q HN 0.953 nan 8.270 nan 0.000 0.407 150 T N -1.302 113.281 114.554 0.049 0.000 3.009 150 T HA 0.118 4.468 4.350 0.001 0.000 0.258 150 T C 1.224 175.961 174.700 0.060 0.000 1.063 150 T CA 0.725 62.853 62.100 0.047 0.000 1.139 150 T CB 0.094 68.977 68.868 0.026 0.000 0.890 150 T HN 0.758 nan 8.240 nan 0.000 0.471 151 G N 1.200 110.041 108.800 0.069 0.000 2.159 151 G HA2 -0.188 3.773 3.960 0.001 0.000 0.256 151 G HA3 -0.188 3.773 3.960 0.001 0.000 0.256 151 G C -0.104 174.818 174.900 0.036 0.000 0.977 151 G CA 0.211 45.345 45.100 0.056 0.000 0.652 151 G HN 0.649 nan 8.290 nan 0.000 0.531 152 L N 0.283 121.525 121.223 0.033 0.000 2.265 152 L HA 0.421 4.762 4.340 0.001 0.000 0.289 152 L C 1.732 178.622 176.870 0.034 0.000 1.033 152 L CA -0.785 54.070 54.840 0.026 0.000 0.814 152 L CB 1.292 43.363 42.059 0.019 0.000 1.203 152 L HN 0.049 nan 8.230 nan 0.000 0.423 153 K N 2.297 122.719 120.400 0.037 0.000 2.089 153 K HA -0.251 4.069 4.320 0.001 0.000 0.210 153 K C 1.894 178.523 176.600 0.048 0.000 1.048 153 K CA 1.989 58.304 56.287 0.047 0.000 0.926 153 K CB -0.051 32.480 32.500 0.053 0.000 0.714 153 K HN 0.824 nan 8.250 nan 0.000 0.448 154 A N 0.348 123.195 122.820 0.044 0.000 1.968 154 A HA -0.061 4.259 4.320 0.001 0.000 0.217 154 A C 2.241 179.852 177.584 0.046 0.000 1.169 154 A CA 1.081 53.147 52.037 0.048 0.000 0.638 154 A CB -0.191 18.837 19.000 0.047 0.000 0.812 154 A HN 0.084 nan 8.150 nan 0.000 0.446 155 V N 0.198 120.135 119.914 0.038 0.000 2.407 155 V HA -0.137 3.984 4.120 0.001 0.000 0.245 155 V C 1.965 178.078 176.094 0.032 0.000 1.041 155 V CA 2.004 64.325 62.300 0.034 0.000 1.040 155 V CB -0.642 31.197 31.823 0.027 0.000 0.671 155 V HN 0.420 nan 8.190 nan 0.000 0.455 156 D N 0.511 120.930 120.400 0.033 0.000 2.178 156 D HA -0.036 4.605 4.640 0.001 0.000 0.202 156 D C 2.071 178.392 176.300 0.034 0.000 0.974 156 D CA 1.473 55.491 54.000 0.030 0.000 0.841 156 D CB -0.060 40.762 40.800 0.036 0.000 0.953 156 D HN 0.437 nan 8.370 nan 0.000 0.478 157 A N -0.544 122.302 122.820 0.043 0.000 1.984 157 A HA 0.133 4.454 4.320 0.001 0.000 0.214 157 A C 1.996 179.610 177.584 0.049 0.000 1.173 157 A CA 0.548 52.615 52.037 0.049 0.000 0.673 157 A CB 0.031 19.065 19.000 0.057 0.000 0.830 157 A HN 0.207 nan 8.150 nan 0.000 0.453 158 L N -1.174 120.079 121.223 0.049 0.000 2.803 158 L HA 0.163 4.504 4.340 0.001 0.000 0.246 158 L C -0.072 176.826 176.870 0.047 0.000 1.100 158 L CA 0.178 55.050 54.840 0.053 0.000 0.919 158 L CB 1.128 43.225 42.059 0.063 0.000 1.285 158 L HN 0.142 nan 8.230 nan 0.000 0.522 159 V N -1.603 118.335 119.914 0.041 0.000 2.562 159 V HA 0.340 4.461 4.120 0.001 0.000 0.274 159 V C -2.642 173.466 176.094 0.024 0.000 1.075 159 V CA -1.582 60.739 62.300 0.035 0.000 1.204 159 V CB -0.188 31.660 31.823 0.042 0.000 1.478 159 V HN -0.057 nan 8.190 nan 0.000 0.622 160 P HA 0.269 nan 4.420 nan 0.000 0.264 160 P C -0.270 177.028 177.300 -0.005 0.000 1.193 160 P CA 0.542 63.645 63.100 0.005 0.000 0.763 160 P CB 1.311 33.014 31.700 0.005 0.000 0.810 161 I N 2.372 122.931 120.570 -0.018 0.000 2.359 161 I HA 0.470 4.640 4.170 0.001 0.000 0.294 161 I C 1.132 177.215 176.117 -0.055 0.000 0.987 161 I CA -0.415 60.868 61.300 -0.028 0.000 1.225 161 I CB 1.784 39.768 38.000 -0.027 0.000 1.366 161 I HN 0.310 nan 8.210 nan 0.000 0.466 162 G N 4.589 113.355 108.800 -0.056 0.000 2.417 162 G HA2 0.492 4.453 3.960 0.001 0.000 0.334 162 G HA3 0.492 4.453 3.960 0.001 0.000 0.334 162 G C -0.468 174.372 174.900 -0.101 0.000 1.150 162 G CA -0.859 44.187 45.100 -0.090 0.000 0.923 162 G HN 0.537 nan 8.290 nan 0.000 0.485 163 R N 0.466 120.870 120.500 -0.160 0.000 2.446 163 R HA 0.346 4.687 4.340 0.001 0.000 0.325 163 R C 1.223 177.485 176.300 -0.064 0.000 0.997 163 R CA 1.265 57.281 56.100 -0.140 0.000 1.010 163 R CB 0.344 30.490 30.300 -0.256 0.000 0.946 163 R HN 1.060 nan 8.270 nan 0.000 0.422 164 G N 1.913 110.702 108.800 -0.018 0.000 2.284 164 G HA2 -0.259 3.702 3.960 0.001 0.000 0.201 164 G HA3 -0.259 3.702 3.960 0.001 0.000 0.201 164 G C 0.251 175.155 174.900 0.008 0.000 0.998 164 G CA -0.241 44.865 45.100 0.010 0.000 0.651 164 G HN 0.570 nan 8.290 nan 0.000 0.489 165 Q N 0.436 120.232 119.800 -0.006 0.000 2.535 165 Q HA 0.607 4.948 4.340 0.001 0.000 0.228 165 Q C 0.085 176.088 176.000 0.006 0.000 1.062 165 Q CA 0.017 55.820 55.803 0.000 0.000 0.967 165 Q CB 0.328 29.061 28.738 -0.009 0.000 1.273 165 Q HN 0.457 nan 8.270 nan 0.000 0.554 166 R N 1.446 121.953 120.500 0.012 0.000 2.513 166 R HA 0.366 4.707 4.340 0.001 0.000 0.301 166 R C -1.517 174.792 176.300 0.014 0.000 0.968 166 R CA -0.612 55.498 56.100 0.016 0.000 0.872 166 R CB 1.841 32.154 30.300 0.023 0.000 1.177 166 R HN 0.466 nan 8.270 nan 0.000 0.444 167 E N 2.709 122.916 120.200 0.012 0.000 2.260 167 E HA 0.251 4.602 4.350 0.001 0.000 0.266 167 E C -1.752 174.858 176.600 0.016 0.000 0.887 167 E CA -0.877 55.532 56.400 0.015 0.000 0.777 167 E CB 1.325 31.032 29.700 0.012 0.000 1.205 167 E HN 0.353 nan 8.360 nan 0.000 0.414 168 L N 5.575 126.811 121.223 0.021 0.000 2.331 168 L HA 0.500 4.841 4.340 0.001 0.000 0.278 168 L C -0.913 175.977 176.870 0.032 0.000 1.106 168 L CA 0.038 54.889 54.840 0.019 0.000 0.824 168 L CB 0.536 42.607 42.059 0.020 0.000 1.142 168 L HN 0.667 nan 8.230 nan 0.000 0.443 169 I N 7.053 127.637 120.570 0.023 0.000 2.304 169 I HA 0.362 4.533 4.170 0.001 0.000 0.291 169 I C -0.201 175.935 176.117 0.030 0.000 1.018 169 I CA -0.101 61.215 61.300 0.026 0.000 1.260 169 I CB 0.969 38.977 38.000 0.014 0.000 1.390 169 I HN 0.572 nan 8.210 nan 0.000 0.475 170 I N 5.481 126.089 120.570 0.063 0.000 2.647 170 I HA 0.884 5.055 4.170 0.001 0.000 0.295 170 I C -0.255 175.902 176.117 0.066 0.000 1.078 170 I CA -0.056 61.303 61.300 0.099 0.000 1.048 170 I CB 2.069 40.171 38.000 0.169 0.000 1.239 170 I HN 0.701 nan 8.210 nan 0.000 0.421 171 G N 4.936 113.757 108.800 0.035 0.000 2.313 171 G HA2 0.135 4.096 3.960 0.001 0.000 0.296 171 G HA3 0.135 4.096 3.960 0.001 0.000 0.296 171 G C -1.834 173.042 174.900 -0.041 0.000 1.356 171 G CA -0.758 44.294 45.100 -0.079 0.000 0.833 171 G HN 0.511 nan 8.290 nan 0.000 0.552 172 D N -0.141 120.217 120.400 -0.070 0.000 2.372 172 D HA 0.277 4.917 4.640 0.001 0.000 0.243 172 D C 1.163 177.403 176.300 -0.100 0.000 1.297 172 D CA -0.005 53.962 54.000 -0.054 0.000 0.958 172 D CB 0.373 41.143 40.800 -0.050 0.000 1.114 172 D HN 0.490 nan 8.370 nan 0.000 0.496 173 R N 0.528 120.980 120.500 -0.081 0.000 2.640 173 R HA -0.085 4.256 4.340 0.001 0.000 0.270 173 R C -0.012 176.177 176.300 -0.185 0.000 1.024 173 R CA 0.203 56.245 56.100 -0.096 0.000 1.085 173 R CB 0.173 30.437 30.300 -0.059 0.000 0.963 173 R HN 0.286 nan 8.270 nan 0.000 0.426 174 Q N 0.858 120.536 119.800 -0.203 0.000 2.443 174 Q HA -0.171 4.169 4.340 0.001 0.000 0.337 174 Q C 0.107 175.635 176.000 -0.786 0.000 1.401 174 Q CA 1.649 57.254 55.803 -0.329 0.000 0.943 174 Q CB -1.473 27.141 28.738 -0.208 0.000 1.177 174 Q HN 0.915 nan 8.270 nan 0.000 0.394 175 T N -5.162 108.975 114.554 -0.695 0.000 3.091 175 T HA 0.463 4.814 4.350 0.001 0.000 0.277 175 T C 1.081 175.550 174.700 -0.385 0.000 0.996 175 T CA 0.595 62.155 62.100 -0.901 0.000 0.897 175 T CB 1.143 69.746 68.868 -0.441 0.000 1.109 175 T HN 0.830 nan 8.240 nan 0.000 0.534 176 G N 2.016 110.701 108.800 -0.192 0.000 2.144 176 G HA2 -0.265 3.696 3.960 0.001 0.000 0.218 176 G HA3 -0.265 3.696 3.960 0.001 0.000 0.218 176 G C 0.801 175.705 174.900 0.007 0.000 0.988 176 G CA 0.257 45.396 45.100 0.065 0.000 0.659 176 G HN 0.507 nan 8.290 nan 0.000 0.522 177 K N -0.358 120.019 120.400 -0.039 0.000 2.032 177 K HA -0.099 4.221 4.320 0.001 0.000 0.209 177 K C 2.549 179.159 176.600 0.016 0.000 1.048 177 K CA 1.962 58.238 56.287 -0.018 0.000 0.927 177 K CB -0.338 32.145 32.500 -0.028 0.000 0.712 177 K HN 0.347 nan 8.250 nan 0.000 0.441 178 T N 1.031 115.603 114.554 0.030 0.000 2.777 178 T HA -0.099 4.251 4.350 0.001 0.000 0.266 178 T C 1.992 176.714 174.700 0.037 0.000 1.040 178 T CA 1.185 63.328 62.100 0.071 0.000 1.141 178 T CB -0.283 68.642 68.868 0.094 0.000 0.868 178 T HN 0.346 nan 8.240 nan 0.000 0.444 179 A N 1.194 124.015 122.820 0.002 0.000 1.903 179 A HA -0.147 4.174 4.320 0.001 0.000 0.219 179 A C 2.572 180.132 177.584 -0.041 0.000 1.191 179 A CA 1.865 53.871 52.037 -0.052 0.000 0.638 179 A CB -1.267 17.694 19.000 -0.065 0.000 0.823 179 A HN 0.356 nan 8.150 nan 0.000 0.451 180 V N -0.466 119.442 119.914 -0.010 0.000 2.332 180 V HA -0.265 3.855 4.120 0.001 0.000 0.248 180 V C 3.021 179.122 176.094 0.011 0.000 1.055 180 V CA 2.138 64.437 62.300 -0.001 0.000 1.038 180 V CB -1.133 30.696 31.823 0.009 0.000 0.651 180 V HN 0.665 nan 8.190 nan 0.000 0.450 181 A N -0.688 122.150 122.820 0.030 0.000 1.929 181 A HA -0.111 4.210 4.320 0.001 0.000 0.216 181 A C 2.093 179.704 177.584 0.045 0.000 1.176 181 A CA 1.695 53.764 52.037 0.052 0.000 0.628 181 A CB -0.428 18.632 19.000 0.100 0.000 0.816 181 A HN 0.451 nan 8.150 nan 0.000 0.444 182 L N -0.198 121.036 121.223 0.018 0.000 2.156 182 L HA -0.042 4.299 4.340 0.001 0.000 0.208 182 L C 1.470 178.332 176.870 -0.013 0.000 1.095 182 L CA 2.117 56.947 54.840 -0.018 0.000 0.770 182 L CB -0.489 41.544 42.059 -0.043 0.000 0.914 182 L HN 0.284 nan 8.230 nan 0.000 0.439 183 D N -1.047 119.339 120.400 -0.024 0.000 2.117 183 D HA -0.159 4.482 4.640 0.001 0.000 0.197 183 D C 2.065 178.374 176.300 0.015 0.000 0.987 183 D CA 1.732 55.721 54.000 -0.019 0.000 0.829 183 D CB -0.161 40.614 40.800 -0.041 0.000 0.961 183 D HN 0.321 nan 8.370 nan 0.000 0.460 184 T N 0.464 115.033 114.554 0.024 0.000 2.684 184 T HA -0.146 4.205 4.350 0.001 0.000 0.267 184 T C 2.128 176.866 174.700 0.063 0.000 1.036 184 T CA 0.830 62.955 62.100 0.040 0.000 1.148 184 T CB -0.291 68.595 68.868 0.030 0.000 0.863 184 T HN 0.158 nan 8.240 nan 0.000 0.436 185 I N 0.645 121.258 120.570 0.073 0.000 2.202 185 I HA -0.102 4.068 4.170 0.001 0.000 0.242 185 I C 2.312 178.542 176.117 0.189 0.000 1.091 185 I CA 1.121 62.504 61.300 0.139 0.000 1.368 185 I CB -0.408 37.660 38.000 0.113 0.000 1.058 185 I HN 0.172 nan 8.210 nan 0.000 0.410 186 L N 0.472 121.753 121.223 0.096 0.000 2.187 186 L HA -0.243 4.098 4.340 0.001 0.000 0.213 186 L C 2.127 179.057 176.870 0.100 0.000 1.100 186 L CA 1.374 56.265 54.840 0.084 0.000 0.765 186 L CB -0.776 41.256 42.059 -0.044 0.000 0.904 186 L HN 0.369 nan 8.230 nan 0.000 0.437 187 N N -0.552 118.193 118.700 0.074 0.000 2.396 187 N HA -0.157 4.584 4.740 0.001 0.000 0.180 187 N C 1.826 177.355 175.510 0.032 0.000 1.028 187 N CA 0.632 53.710 53.050 0.047 0.000 0.893 187 N CB 0.164 38.699 38.487 0.081 0.000 0.967 187 N HN 0.194 nan 8.380 nan 0.000 0.440 188 Q N 0.395 120.224 119.800 0.048 0.000 2.291 188 Q HA -0.119 4.222 4.340 0.001 0.000 0.205 188 Q C 1.576 177.435 176.000 -0.235 0.000 0.970 188 Q CA 0.658 56.436 55.803 -0.041 0.000 0.876 188 Q CB -0.275 28.284 28.738 -0.298 0.000 0.935 188 Q HN 0.461 nan 8.270 nan 0.000 0.455 189 K N 1.129 121.457 120.400 -0.119 0.000 2.293 189 K HA -0.182 4.139 4.320 0.001 0.000 0.204 189 K C 1.882 178.359 176.600 -0.206 0.000 1.045 189 K CA 1.035 57.301 56.287 -0.034 0.000 0.933 189 K CB 0.108 32.673 32.500 0.107 0.000 0.736 189 K HN 0.126 nan 8.250 nan 0.000 0.463 190 R N -0.857 119.389 120.500 -0.423 0.000 2.081 190 R HA -0.133 4.208 4.340 0.001 0.000 0.235 190 R C 1.694 177.495 176.300 -0.831 0.000 1.131 190 R CA 1.690 57.301 56.100 -0.815 0.000 0.960 190 R CB -0.139 29.269 30.300 -1.487 0.000 0.856 190 R HN 0.430 nan 8.270 nan 0.000 0.436 191 W N -0.421 120.784 121.300 -0.157 0.000 2.993 191 W HA 0.194 4.854 4.660 0.001 0.000 0.290 191 W C 0.884 177.292 176.519 -0.187 0.000 1.203 191 W CA -0.468 56.781 57.345 -0.159 0.000 1.582 191 W CB -0.176 29.179 29.460 -0.175 0.000 1.033 191 W HN 0.060 nan 8.180 nan 0.000 0.594 192 N N 1.111 119.761 118.700 -0.083 0.000 2.461 192 N HA -0.073 4.667 4.740 0.001 0.000 0.188 192 N C 0.873 176.366 175.510 -0.029 0.000 1.134 192 N CA 0.674 53.628 53.050 -0.160 0.000 0.878 192 N CB -0.293 37.922 38.487 -0.453 0.000 0.972 192 N HN 0.106 nan 8.380 nan 0.000 0.456 193 N N -0.356 118.330 118.700 -0.024 0.000 2.356 193 N HA 0.075 4.816 4.740 0.001 0.000 0.178 193 N C 1.069 176.582 175.510 0.006 0.000 1.075 193 N CA 0.096 53.148 53.050 0.004 0.000 0.889 193 N CB 0.209 38.684 38.487 -0.020 0.000 0.999 193 N HN 0.116 nan 8.380 nan 0.000 0.464 194 G N -0.444 108.362 108.800 0.009 0.000 2.553 194 G HA2 0.261 4.222 3.960 0.001 0.000 0.278 194 G HA3 0.261 4.222 3.960 0.001 0.000 0.278 194 G C 0.620 175.548 174.900 0.047 0.000 1.349 194 G CA -0.171 44.947 45.100 0.030 0.000 1.037 194 G HN 0.148 nan 8.290 nan 0.000 0.508 195 S N -0.959 114.771 115.700 0.051 0.000 2.510 195 S HA 0.035 4.505 4.470 0.001 0.000 0.230 195 S C 0.854 175.493 174.600 0.065 0.000 1.066 195 S CA 0.180 58.414 58.200 0.057 0.000 0.941 195 S CB -0.092 63.136 63.200 0.047 0.000 0.829 195 S HN 0.693 nan 8.310 nan 0.000 0.530 196 D N 3.072 123.507 120.400 0.059 0.000 2.659 196 D HA -0.079 4.562 4.640 0.001 0.000 0.275 196 D C 0.881 177.217 176.300 0.060 0.000 1.407 196 D CA 0.251 54.285 54.000 0.056 0.000 1.033 196 D CB 0.112 40.941 40.800 0.049 0.000 1.139 196 D HN 0.115 nan 8.370 nan 0.000 0.565 197 E N 1.795 122.041 120.200 0.077 0.000 2.333 197 E HA -0.151 4.200 4.350 0.001 0.000 0.198 197 E C 1.764 178.429 176.600 0.107 0.000 1.007 197 E CA 0.805 57.269 56.400 0.107 0.000 0.845 197 E CB -0.041 29.739 29.700 0.134 0.000 0.766 197 E HN 0.630 nan 8.360 nan 0.000 0.507 198 S N 0.112 115.859 115.700 0.077 0.000 2.446 198 S HA 0.021 4.492 4.470 0.001 0.000 0.225 198 S C 1.676 176.260 174.600 -0.027 0.000 1.016 198 S CA 0.312 58.568 58.200 0.094 0.000 0.943 198 S CB 0.184 63.423 63.200 0.066 0.000 0.786 198 S HN -0.028 nan 8.310 nan 0.000 0.508 199 K N 1.273 121.621 120.400 -0.088 0.000 2.400 199 K HA 0.248 4.569 4.320 0.001 0.000 0.194 199 K C 0.339 176.779 176.600 -0.266 0.000 1.033 199 K CA 0.262 56.400 56.287 -0.248 0.000 1.021 199 K CB 0.033 32.423 32.500 -0.183 0.000 0.808 199 K HN 0.482 nan 8.250 nan 0.000 0.505 200 K N 1.073 121.388 120.400 -0.141 0.000 2.258 200 K HA 0.143 4.464 4.320 0.001 0.000 0.264 200 K C -0.355 176.056 176.600 -0.315 0.000 1.007 200 K CA -0.352 55.793 56.287 -0.238 0.000 0.941 200 K CB 0.625 32.950 32.500 -0.291 0.000 0.966 200 K HN -0.177 nan 8.250 nan 0.000 0.480 201 L N 3.625 124.575 121.223 -0.455 0.000 2.518 201 L HA 0.272 4.613 4.340 0.001 0.000 0.262 201 L C -1.569 175.036 176.870 -0.441 0.000 0.982 201 L CA -0.380 54.250 54.840 -0.351 0.000 0.873 201 L CB 0.558 42.471 42.059 -0.243 0.000 1.198 201 L HN 0.444 nan 8.230 nan 0.000 0.427 202 Y N 2.664 122.822 120.300 -0.237 0.000 2.326 202 Y HA 0.448 4.999 4.550 0.001 0.000 0.333 202 Y C 0.579 176.360 175.900 -0.198 0.000 1.240 202 Y CA -0.064 57.848 58.100 -0.312 0.000 1.365 202 Y CB 0.772 38.710 38.460 -0.870 0.000 1.289 202 Y HN 0.480 nan 8.280 nan 0.000 0.548 203 C N 2.390 121.754 119.300 0.107 0.000 2.408 203 C HA 0.666 5.127 4.460 0.001 0.000 0.321 203 C C -0.563 174.491 174.990 0.107 0.000 1.245 203 C CA -1.154 57.928 59.018 0.107 0.000 1.523 203 C CB 0.567 28.418 27.740 0.185 0.000 2.178 203 C HN 0.550 nan 8.230 nan 0.000 0.488 204 V N 3.526 123.485 119.914 0.076 0.000 2.378 204 V HA 0.338 4.459 4.120 0.001 0.000 0.288 204 V C -0.913 175.213 176.094 0.052 0.000 1.016 204 V CA -0.557 61.788 62.300 0.076 0.000 0.840 204 V CB 1.071 32.928 31.823 0.058 0.000 0.994 204 V HN 0.806 nan 8.190 nan 0.000 0.431 205 Y N 5.157 125.439 120.300 -0.029 0.000 2.328 205 Y HA 0.692 5.242 4.550 0.001 0.000 0.337 205 Y C -0.443 175.442 175.900 -0.025 0.000 0.966 205 Y CA -0.710 57.365 58.100 -0.042 0.000 1.136 205 Y CB 1.743 40.193 38.460 -0.018 0.000 1.170 205 Y HN 0.427 nan 8.280 nan 0.000 0.470 206 V N 6.076 125.676 119.914 -0.523 0.000 2.384 206 V HA 0.700 4.821 4.120 0.001 0.000 0.287 206 V C -0.102 175.715 176.094 -0.461 0.000 1.020 206 V CA -0.792 61.318 62.300 -0.317 0.000 0.850 206 V CB 0.908 32.667 31.823 -0.105 0.000 0.987 206 V HN 0.939 nan 8.190 nan 0.000 0.436 207 A N 5.037 127.726 122.820 -0.218 0.000 2.252 207 A HA 0.774 5.094 4.320 0.001 0.000 0.309 207 A C -0.535 177.032 177.584 -0.028 0.000 1.285 207 A CA -0.421 51.559 52.037 -0.095 0.000 0.900 207 A CB 0.819 19.875 19.000 0.092 0.000 1.157 207 A HN 0.720 nan 8.150 nan 0.000 0.536 208 V N 2.626 122.525 119.914 -0.026 0.000 2.407 208 V HA 0.628 4.749 4.120 0.001 0.000 0.291 208 V C 1.101 177.215 176.094 0.033 0.000 1.018 208 V CA 0.528 62.834 62.300 0.010 0.000 0.842 208 V CB 0.735 32.556 31.823 -0.005 0.000 0.996 208 V HN 1.825 nan 8.190 nan 0.000 0.426 209 G N 4.031 112.862 108.800 0.052 0.000 2.205 209 G HA2 -0.237 3.724 3.960 0.001 0.000 0.261 209 G HA3 -0.237 3.724 3.960 0.001 0.000 0.261 209 G C 0.243 175.176 174.900 0.054 0.000 0.980 209 G CA 0.398 45.533 45.100 0.059 0.000 0.632 209 G HN 0.631 nan 8.290 nan 0.000 0.533 210 Q N 0.235 120.068 119.800 0.055 0.000 2.471 210 Q HA 0.499 4.840 4.340 0.001 0.000 0.223 210 Q C 0.377 176.413 176.000 0.059 0.000 1.045 210 Q CA -0.122 55.717 55.803 0.061 0.000 0.956 210 Q CB 0.589 29.374 28.738 0.079 0.000 1.249 210 Q HN 0.377 nan 8.270 nan 0.000 0.549 211 K N 1.007 121.441 120.400 0.056 0.000 2.350 211 K HA 0.027 4.348 4.320 0.001 0.000 0.279 211 K C 0.855 177.487 176.600 0.053 0.000 1.027 211 K CA -0.067 56.250 56.287 0.049 0.000 0.969 211 K CB 0.660 33.186 32.500 0.044 0.000 0.954 211 K HN 0.469 nan 8.250 nan 0.000 0.474 212 R N 1.664 122.192 120.500 0.047 0.000 2.112 212 R HA -0.256 4.085 4.340 0.001 0.000 0.242 212 R C 2.047 178.372 176.300 0.042 0.000 1.137 212 R CA 2.573 58.700 56.100 0.045 0.000 0.944 212 R CB -0.274 30.049 30.300 0.038 0.000 0.857 212 R HN 0.845 nan 8.270 nan 0.000 0.435 213 S N -1.033 114.689 115.700 0.036 0.000 2.400 213 S HA -0.144 4.327 4.470 0.001 0.000 0.232 213 S C 1.900 176.521 174.600 0.035 0.000 1.025 213 S CA 1.712 59.931 58.200 0.032 0.000 0.993 213 S CB -0.611 62.606 63.200 0.028 0.000 0.808 213 S HN 0.393 nan 8.310 nan 0.000 0.478 214 T N 2.263 116.844 114.554 0.045 0.000 2.746 214 T HA -0.035 4.315 4.350 0.001 0.000 0.267 214 T C 1.904 176.635 174.700 0.051 0.000 1.039 214 T CA 1.559 63.690 62.100 0.051 0.000 1.142 214 T CB -0.568 68.339 68.868 0.065 0.000 0.866 214 T HN 0.332 nan 8.240 nan 0.000 0.444 215 V N 1.556 121.508 119.914 0.063 0.000 2.323 215 V HA -0.064 4.056 4.120 0.001 0.000 0.244 215 V C 2.902 179.016 176.094 0.034 0.000 1.041 215 V CA 1.390 63.733 62.300 0.072 0.000 1.025 215 V CB -1.295 30.589 31.823 0.102 0.000 0.656 215 V HN 0.506 nan 8.190 nan 0.000 0.451 216 A N -0.275 122.563 122.820 0.030 0.000 1.873 216 A HA -0.355 3.966 4.320 0.001 0.000 0.218 216 A C 2.185 179.770 177.584 0.001 0.000 1.193 216 A CA 2.415 54.461 52.037 0.014 0.000 0.629 216 A CB -0.662 18.348 19.000 0.016 0.000 0.826 216 A HN 0.627 nan 8.150 nan 0.000 0.447 217 Q N -1.218 118.586 119.800 0.006 0.000 2.135 217 Q HA -0.170 4.171 4.340 0.001 0.000 0.204 217 Q C 2.125 178.115 176.000 -0.016 0.000 0.981 217 Q CA 1.474 57.277 55.803 -0.001 0.000 0.856 217 Q CB -0.359 28.386 28.738 0.013 0.000 0.902 217 Q HN 0.636 nan 8.270 nan 0.000 0.425 218 L N 0.040 121.249 121.223 -0.024 0.000 2.046 218 L HA -0.163 4.178 4.340 0.001 0.000 0.208 218 L C 2.119 178.934 176.870 -0.092 0.000 1.077 218 L CA 1.332 56.127 54.840 -0.074 0.000 0.747 218 L CB -0.313 41.667 42.059 -0.132 0.000 0.896 218 L HN -0.014 nan 8.230 nan 0.000 0.432 219 V N -0.527 119.348 119.914 -0.066 0.000 2.490 219 V HA -0.288 3.833 4.120 0.001 0.000 0.250 219 V C 2.559 178.621 176.094 -0.055 0.000 1.061 219 V CA 1.796 64.058 62.300 -0.063 0.000 1.064 219 V CB -0.492 31.312 31.823 -0.032 0.000 0.670 219 V HN 0.593 nan 8.190 nan 0.000 0.461 220 Q N 0.082 119.857 119.800 -0.042 0.000 2.119 220 Q HA -0.148 4.192 4.340 0.001 0.000 0.201 220 Q C 2.137 178.112 176.000 -0.041 0.000 0.972 220 Q CA 2.333 58.113 55.803 -0.039 0.000 0.847 220 Q CB -0.525 28.194 28.738 -0.032 0.000 0.903 220 Q HN 0.659 nan 8.270 nan 0.000 0.433 221 T N 1.069 115.596 114.554 -0.044 0.000 2.622 221 T HA -0.155 4.196 4.350 0.001 0.000 0.266 221 T C 1.753 176.464 174.700 0.018 0.000 1.047 221 T CA 1.581 63.663 62.100 -0.030 0.000 1.159 221 T CB -0.494 68.330 68.868 -0.073 0.000 0.863 221 T HN 0.243 nan 8.240 nan 0.000 0.422 222 L N 0.743 121.937 121.223 -0.049 0.000 2.021 222 L HA -0.225 4.116 4.340 0.001 0.000 0.215 222 L C 2.841 179.677 176.870 -0.057 0.000 1.074 222 L CA 1.727 56.524 54.840 -0.072 0.000 0.760 222 L CB -0.630 41.352 42.059 -0.128 0.000 0.889 222 L HN 0.266 nan 8.230 nan 0.000 0.433 223 E N 0.352 120.517 120.200 -0.058 0.000 2.058 223 E HA -0.266 4.085 4.350 0.001 0.000 0.194 223 E C 2.182 178.753 176.600 -0.049 0.000 0.997 223 E CA 1.587 57.952 56.400 -0.059 0.000 0.801 223 E CB -0.136 29.532 29.700 -0.053 0.000 0.746 223 E HN 0.411 nan 8.360 nan 0.000 0.450 224 Q N -1.295 118.478 119.800 -0.044 0.000 2.226 224 Q HA -0.148 4.193 4.340 0.001 0.000 0.204 224 Q C 1.150 177.049 176.000 -0.168 0.000 0.975 224 Q CA 1.447 57.188 55.803 -0.103 0.000 0.866 224 Q CB -0.069 28.589 28.738 -0.134 0.000 0.915 224 Q HN 0.489 nan 8.270 nan 0.000 0.440 225 H N -0.874 118.139 119.070 -0.094 0.000 2.549 225 H HA 0.055 4.612 4.556 0.001 0.000 0.279 225 H C -0.411 174.883 175.328 -0.056 0.000 1.018 225 H CA 0.173 56.180 56.048 -0.068 0.000 1.175 225 H CB 0.603 30.332 29.762 -0.055 0.000 1.485 225 H HN 0.091 nan 8.280 nan 0.000 0.543 226 D N -0.518 119.885 120.400 0.005 0.000 2.800 226 D HA -0.192 4.448 4.640 0.001 0.000 0.232 226 D C 1.002 177.243 176.300 -0.098 0.000 1.137 226 D CA 0.722 54.701 54.000 -0.035 0.000 0.718 226 D CB -1.156 39.640 40.800 -0.006 0.000 1.084 226 D HN 0.518 nan 8.370 nan 0.000 0.432 227 A N -0.771 121.927 122.820 -0.203 0.000 2.169 227 A HA 0.124 4.445 4.320 0.001 0.000 0.210 227 A C 1.965 179.021 177.584 -0.880 0.000 1.168 227 A CA 1.037 52.701 52.037 -0.621 0.000 0.813 227 A CB -0.085 18.741 19.000 -0.290 0.000 0.861 227 A HN 0.288 nan 8.150 nan 0.000 0.481 228 M N 1.337 120.691 119.600 -0.410 0.000 2.213 228 M HA -0.123 4.358 4.480 0.001 0.000 0.263 228 M C 1.963 178.120 176.300 -0.238 0.000 1.062 228 M CA 1.953 57.087 55.300 -0.276 0.000 1.105 228 M CB -0.452 32.061 32.600 -0.146 0.000 1.385 228 M HN 0.499 nan 8.290 nan 0.000 0.417 229 K N -0.494 119.774 120.400 -0.221 0.000 2.362 229 K HA -0.162 4.159 4.320 0.001 0.000 0.200 229 K C 0.655 177.289 176.600 0.056 0.000 1.046 229 K CA 1.494 57.746 56.287 -0.057 0.000 0.952 229 K CB -0.673 31.831 32.500 0.007 0.000 0.753 229 K HN 0.609 nan 8.250 nan 0.000 0.466 230 Y N 0.168 120.523 120.300 0.093 0.000 2.584 230 Y HA 0.400 4.951 4.550 0.001 0.000 0.254 230 Y C -0.274 175.698 175.900 0.120 0.000 1.177 230 Y CA -1.194 56.999 58.100 0.155 0.000 1.216 230 Y CB -0.009 38.499 38.460 0.080 0.000 1.172 230 Y HN 0.062 nan 8.280 nan 0.000 0.529 231 S N 0.549 116.272 115.700 0.039 0.000 2.570 231 S HA 0.809 5.280 4.470 0.001 0.000 0.286 231 S C -0.967 173.669 174.600 0.061 0.000 1.099 231 S CA -0.768 57.473 58.200 0.068 0.000 0.913 231 S CB 2.145 65.342 63.200 -0.006 0.000 1.085 231 S HN 0.235 nan 8.310 nan 0.000 0.480 232 I N 1.895 122.523 120.570 0.097 0.000 2.465 232 I HA 0.428 4.599 4.170 0.001 0.000 0.291 232 I C -1.067 175.113 176.117 0.104 0.000 1.014 232 I CA -0.987 60.370 61.300 0.095 0.000 1.093 232 I CB 1.619 39.695 38.000 0.127 0.000 1.267 232 I HN 0.470 nan 8.210 nan 0.000 0.431 233 I N 6.561 127.184 120.570 0.089 0.000 2.377 233 I HA 0.424 4.595 4.170 0.001 0.000 0.293 233 I C -0.150 176.020 176.117 0.088 0.000 0.987 233 I CA -0.898 60.475 61.300 0.121 0.000 1.185 233 I CB 1.616 39.685 38.000 0.114 0.000 1.341 233 I HN 0.162 nan 8.210 nan 0.000 0.455 234 V N 5.411 125.374 119.914 0.083 0.000 2.376 234 V HA 0.731 4.852 4.120 0.001 0.000 0.287 234 V C 0.137 176.257 176.094 0.045 0.000 1.015 234 V CA -0.567 61.762 62.300 0.049 0.000 0.834 234 V CB 1.560 33.403 31.823 0.033 0.000 1.001 234 V HN 0.892 nan 8.190 nan 0.000 0.428 235 A N 4.124 126.974 122.820 0.049 0.000 2.343 235 A HA 0.942 5.263 4.320 0.001 0.000 0.316 235 A C -0.132 177.481 177.584 0.048 0.000 1.104 235 A CA -0.347 51.722 52.037 0.054 0.000 0.768 235 A CB 1.604 20.647 19.000 0.070 0.000 1.213 235 A HN 1.351 nan 8.150 nan 0.000 0.456 236 A N 2.743 125.593 122.820 0.050 0.000 2.545 236 A HA 0.662 4.983 4.320 0.001 0.000 0.300 236 A C 0.299 177.922 177.584 0.065 0.000 1.252 236 A CA 0.026 52.101 52.037 0.063 0.000 0.753 236 A CB -0.045 18.999 19.000 0.073 0.000 1.144 236 A HN 1.247 nan 8.150 nan 0.000 0.457 237 T N -0.985 113.608 114.554 0.064 0.000 2.852 237 T HA 0.612 4.963 4.350 0.001 0.000 0.281 237 T C 1.632 176.369 174.700 0.061 0.000 0.993 237 T CA 0.026 62.162 62.100 0.061 0.000 0.933 237 T CB 1.049 69.952 68.868 0.057 0.000 1.187 237 T HN 1.129 nan 8.240 nan 0.000 0.559 238 A N 0.889 123.743 122.820 0.056 0.000 1.958 238 A HA -0.116 4.205 4.320 0.001 0.000 0.221 238 A C 2.418 180.033 177.584 0.051 0.000 1.178 238 A CA 2.388 54.457 52.037 0.053 0.000 0.642 238 A CB -1.444 17.584 19.000 0.046 0.000 0.816 238 A HN 1.127 nan 8.150 nan 0.000 0.453 239 S N -0.720 115.008 115.700 0.048 0.000 2.575 239 S HA 0.156 4.627 4.470 0.001 0.000 0.215 239 S C 0.398 175.027 174.600 0.049 0.000 0.966 239 S CA -0.221 58.004 58.200 0.043 0.000 0.911 239 S CB -0.113 63.108 63.200 0.036 0.000 0.780 239 S HN 0.629 nan 8.310 nan 0.000 0.514 240 E N 1.386 121.623 120.200 0.061 0.000 2.371 240 E HA 0.546 4.897 4.350 0.001 0.000 0.257 240 E C -0.009 176.641 176.600 0.085 0.000 1.134 240 E CA -0.360 56.085 56.400 0.075 0.000 0.919 240 E CB 0.677 30.429 29.700 0.087 0.000 1.025 240 E HN 0.424 nan 8.360 nan 0.000 0.438 241 A N 1.058 123.938 122.820 0.099 0.000 2.477 241 A HA 0.297 4.618 4.320 0.001 0.000 0.246 241 A C 1.175 178.832 177.584 0.122 0.000 1.078 241 A CA 0.510 52.602 52.037 0.091 0.000 0.770 241 A CB 0.456 19.510 19.000 0.091 0.000 1.011 241 A HN 0.766 nan 8.150 nan 0.000 0.494 242 A N 3.847 126.722 122.820 0.092 0.000 1.903 242 A HA -0.111 4.209 4.320 0.001 0.000 0.219 242 A C -0.199 177.508 177.584 0.205 0.000 1.191 242 A CA 2.253 54.364 52.037 0.124 0.000 0.638 242 A CB -1.707 17.338 19.000 0.075 0.000 0.823 242 A HN 0.638 nan 8.150 nan 0.000 0.451 243 P HA -0.100 nan 4.420 nan 0.000 0.220 243 P C 1.377 179.017 177.300 0.568 0.000 1.148 243 P CA 0.747 64.036 63.100 0.316 0.000 0.803 243 P CB -0.130 31.581 31.700 0.019 0.000 0.782 244 L N -1.070 120.428 121.223 0.459 0.000 2.093 244 L HA -0.179 4.161 4.340 0.001 0.000 0.208 244 L C 2.565 179.585 176.870 0.249 0.000 1.085 244 L CA 1.505 56.561 54.840 0.361 0.000 0.755 244 L CB -0.714 41.499 42.059 0.257 0.000 0.904 244 L HN 0.018 nan 8.230 nan 0.000 0.435 245 Q N -1.192 118.750 119.800 0.237 0.000 2.083 245 Q HA -0.235 4.106 4.340 0.001 0.000 0.198 245 Q C 2.079 178.202 176.000 0.205 0.000 0.969 245 Q CA 1.708 57.619 55.803 0.181 0.000 0.838 245 Q CB -0.283 28.551 28.738 0.160 0.000 0.900 245 Q HN 0.514 nan 8.270 nan 0.000 0.436 246 Y N 1.006 121.421 120.300 0.193 0.000 2.151 246 Y HA -0.277 4.274 4.550 0.001 0.000 0.284 246 Y C 1.883 177.943 175.900 0.268 0.000 1.166 246 Y CA 1.380 59.624 58.100 0.240 0.000 1.163 246 Y CB -0.189 38.469 38.460 0.331 0.000 0.974 246 Y HN 0.117 nan 8.280 nan 0.000 0.511 247 L N 0.713 122.004 121.223 0.114 0.000 2.131 247 L HA 0.139 4.479 4.340 0.001 0.000 0.206 247 L C 2.560 179.437 176.870 0.012 0.000 1.087 247 L CA 1.668 56.520 54.840 0.020 0.000 0.767 247 L CB -1.247 40.965 42.059 0.256 0.000 0.917 247 L HN 0.312 nan 8.230 nan 0.000 0.441 248 A N 0.702 123.527 122.820 0.008 0.000 1.896 248 A HA -0.215 4.105 4.320 0.001 0.000 0.220 248 A C 0.048 177.595 177.584 -0.061 0.000 1.206 248 A CA 2.479 54.509 52.037 -0.012 0.000 0.647 248 A CB -2.257 16.746 19.000 0.005 0.000 0.828 248 A HN 0.426 nan 8.150 nan 0.000 0.455 249 P HA -0.132 nan 4.420 nan 0.000 0.217 249 P C 0.967 178.092 177.300 -0.292 0.000 1.148 249 P CA 1.132 64.071 63.100 -0.268 0.000 0.828 249 P CB -0.180 31.095 31.700 -0.709 0.000 0.783 250 F N -0.181 119.673 119.950 -0.161 0.000 2.128 250 F HA -0.124 4.404 4.527 0.001 0.000 0.295 250 F C 2.480 178.247 175.800 -0.055 0.000 1.100 250 F CA 1.856 59.772 58.000 -0.141 0.000 1.260 250 F CB -2.048 36.820 39.000 -0.219 0.000 1.009 250 F HN -0.053 nan 8.300 nan 0.000 0.476 251 T N -1.717 112.910 114.554 0.121 0.000 2.833 251 T HA -0.108 4.243 4.350 0.001 0.000 0.269 251 T C 2.108 176.848 174.700 0.067 0.000 1.054 251 T CA 0.951 63.093 62.100 0.070 0.000 1.135 251 T CB -0.831 68.053 68.868 0.027 0.000 0.869 251 T HN 0.201 nan 8.240 nan 0.000 0.466 252 A N 1.586 124.447 122.820 0.070 0.000 2.015 252 A HA 0.438 4.759 4.320 0.001 0.000 0.219 252 A C 2.722 180.376 177.584 0.117 0.000 1.163 252 A CA 1.439 53.527 52.037 0.086 0.000 0.646 252 A CB -1.137 17.910 19.000 0.079 0.000 0.806 252 A HN 0.707 nan 8.150 nan 0.000 0.448 253 A N -0.347 122.558 122.820 0.142 0.000 1.968 253 A HA 0.022 4.343 4.320 0.001 0.000 0.217 253 A C 2.336 179.997 177.584 0.128 0.000 1.169 253 A CA 1.751 53.879 52.037 0.152 0.000 0.638 253 A CB -0.562 18.533 19.000 0.159 0.000 0.812 253 A HN 0.470 nan 8.150 nan 0.000 0.446 254 S N 0.038 115.805 115.700 0.111 0.000 2.406 254 S HA -0.010 4.460 4.470 0.001 0.000 0.228 254 S C 1.739 176.404 174.600 0.108 0.000 1.020 254 S CA 1.114 59.372 58.200 0.097 0.000 0.965 254 S CB -0.414 62.831 63.200 0.074 0.000 0.798 254 S HN 0.544 nan 8.310 nan 0.000 0.488 255 I N 1.910 122.542 120.570 0.104 0.000 2.226 255 I HA -0.122 4.049 4.170 0.001 0.000 0.245 255 I C 2.716 178.964 176.117 0.220 0.000 1.100 255 I CA 1.239 62.604 61.300 0.108 0.000 1.374 255 I CB -0.791 37.267 38.000 0.097 0.000 1.057 255 I HN 0.394 nan 8.210 nan 0.000 0.413 256 G N 0.035 108.978 108.800 0.238 0.000 2.408 256 G HA2 -0.202 3.759 3.960 0.001 0.000 0.217 256 G HA3 -0.202 3.759 3.960 0.001 0.000 0.217 256 G C 1.520 176.607 174.900 0.313 0.000 1.150 256 G CA 0.378 45.671 45.100 0.321 0.000 0.776 256 G HN 0.376 nan 8.290 nan 0.000 0.542 257 E N -0.761 119.555 120.200 0.193 0.000 2.204 257 E HA -0.128 4.223 4.350 0.001 0.000 0.194 257 E C 1.896 178.544 176.600 0.080 0.000 0.989 257 E CA 0.454 56.928 56.400 0.123 0.000 0.824 257 E CB -0.183 29.567 29.700 0.083 0.000 0.756 257 E HN 0.657 nan 8.360 nan 0.000 0.477 258 W N 0.488 121.726 121.300 -0.103 0.000 2.335 258 W HA -0.256 4.405 4.660 0.001 0.000 0.311 258 W C 1.444 177.805 176.519 -0.263 0.000 1.213 258 W CA 1.663 58.856 57.345 -0.254 0.000 1.274 258 W CB -0.337 28.853 29.460 -0.450 0.000 1.148 258 W HN 0.006 nan 8.180 nan 0.000 0.498 259 F N 0.261 120.332 119.950 0.203 0.000 2.075 259 F HA -0.172 4.356 4.527 0.001 0.000 0.297 259 F C 2.736 178.433 175.800 -0.173 0.000 1.113 259 F CA 2.216 60.234 58.000 0.031 0.000 1.218 259 F CB -1.499 37.619 39.000 0.196 0.000 0.984 259 F HN -0.196 nan 8.300 nan 0.000 0.472 260 R N 0.594 121.141 120.500 0.078 0.000 2.113 260 R HA -0.205 4.136 4.340 0.001 0.000 0.244 260 R C 1.301 177.510 176.300 -0.151 0.000 1.142 260 R CA 2.197 58.273 56.100 -0.040 0.000 0.953 260 R CB -0.481 29.828 30.300 0.014 0.000 0.860 260 R HN 0.219 nan 8.270 nan 0.000 0.438 261 D N -0.377 119.887 120.400 -0.226 0.000 2.355 261 D HA -0.013 4.628 4.640 0.001 0.000 0.218 261 D C 0.161 176.243 176.300 -0.363 0.000 1.004 261 D CA 0.582 54.425 54.000 -0.260 0.000 0.880 261 D CB 0.087 40.738 40.800 -0.247 0.000 0.911 261 D HN 0.233 nan 8.370 nan 0.000 0.528 262 N N -0.112 118.294 118.700 -0.490 0.000 2.416 262 N HA 0.170 4.911 4.740 0.001 0.000 0.267 262 N C 0.694 176.011 175.510 -0.322 0.000 1.294 262 N CA 0.013 52.740 53.050 -0.538 0.000 0.891 262 N CB 1.491 39.315 38.487 -1.106 0.000 1.238 262 N HN 0.036 nan 8.380 nan 0.000 0.508 263 G N 1.266 109.924 108.800 -0.238 0.000 2.225 263 G HA2 -0.317 3.643 3.960 0.001 0.000 0.267 263 G HA3 -0.317 3.643 3.960 0.001 0.000 0.267 263 G C 0.121 174.905 174.900 -0.193 0.000 1.024 263 G CA 0.794 45.787 45.100 -0.178 0.000 0.784 263 G HN 0.357 nan 8.290 nan 0.000 0.507 264 K N -1.003 119.268 120.400 -0.215 0.000 2.261 264 K HA 0.738 5.058 4.320 0.001 0.000 0.242 264 K C -0.484 175.921 176.600 -0.325 0.000 1.083 264 K CA -1.075 55.144 56.287 -0.114 0.000 0.880 264 K CB 1.343 34.007 32.500 0.273 0.000 1.353 264 K HN 0.268 nan 8.250 nan 0.000 0.486 265 H N -0.525 118.655 119.070 0.184 0.000 2.600 265 H HA 0.594 5.151 4.556 0.001 0.000 0.357 265 H C -1.255 174.107 175.328 0.057 0.000 1.106 265 H CA -0.870 55.224 56.048 0.076 0.000 1.193 265 H CB 2.096 31.834 29.762 -0.040 0.000 1.594 265 H HN 0.686 nan 8.280 nan 0.000 0.526 266 A N 2.890 125.801 122.820 0.153 0.000 2.393 266 A HA 0.473 4.794 4.320 0.001 0.000 0.306 266 A C -1.415 176.190 177.584 0.036 0.000 1.050 266 A CA -0.645 51.427 52.037 0.058 0.000 0.724 266 A CB 1.848 20.933 19.000 0.142 0.000 1.248 266 A HN 0.429 nan 8.150 nan 0.000 0.424 267 L N 2.518 123.739 121.223 -0.004 0.000 2.307 267 L HA 0.775 5.115 4.340 0.001 0.000 0.284 267 L C -0.856 175.983 176.870 -0.052 0.000 1.023 267 L CA -0.489 54.335 54.840 -0.026 0.000 0.810 267 L CB 1.093 43.136 42.059 -0.027 0.000 1.231 267 L HN 0.642 nan 8.230 nan 0.000 0.423 268 I N 5.472 125.960 120.570 -0.136 0.000 2.418 268 I HA 0.482 4.653 4.170 0.001 0.000 0.287 268 I C -1.165 174.678 176.117 -0.456 0.000 1.008 268 I CA -0.617 60.502 61.300 -0.301 0.000 1.104 268 I CB 1.634 39.396 38.000 -0.397 0.000 1.264 268 I HN 0.379 nan 8.210 nan 0.000 0.438 269 V N 8.183 127.872 119.914 -0.374 0.000 2.383 269 V HA 0.244 4.365 4.120 0.001 0.000 0.275 269 V C -0.893 174.894 176.094 -0.512 0.000 1.036 269 V CA -0.393 61.708 62.300 -0.332 0.000 0.889 269 V CB 0.886 32.665 31.823 -0.074 0.000 0.985 269 V HN 0.475 nan 8.190 nan 0.000 0.459 270 Y N 2.418 122.599 120.300 -0.199 0.000 2.676 270 Y HA 0.393 4.944 4.550 0.001 0.000 0.338 270 Y C 0.378 176.132 175.900 -0.243 0.000 1.057 270 Y CA -1.077 56.876 58.100 -0.245 0.000 1.314 270 Y CB 0.400 38.721 38.460 -0.233 0.000 1.164 270 Y HN 0.527 nan 8.280 nan 0.000 0.509 271 D N 3.350 123.627 120.400 -0.205 0.000 2.473 271 D HA 0.182 4.823 4.640 0.001 0.000 0.226 271 D C -0.936 175.307 176.300 -0.095 0.000 1.089 271 D CA -0.272 53.631 54.000 -0.161 0.000 0.883 271 D CB 0.399 41.050 40.800 -0.249 0.000 1.029 271 D HN 0.640 nan 8.370 nan 0.000 0.517 272 D N 0.626 121.002 120.400 -0.039 0.000 2.493 272 D HA 0.243 4.884 4.640 0.001 0.000 0.239 272 D C 1.144 177.416 176.300 -0.046 0.000 1.049 272 D CA -0.735 53.243 54.000 -0.037 0.000 1.008 272 D CB 1.267 42.056 40.800 -0.017 0.000 1.398 272 D HN 0.057 nan 8.370 nan 0.000 0.513 273 L N 0.034 121.198 121.223 -0.098 0.000 2.240 273 L HA -0.064 4.277 4.340 0.001 0.000 0.211 273 L C 2.006 178.874 176.870 -0.003 0.000 1.106 273 L CA 0.619 55.361 54.840 -0.163 0.000 0.793 273 L CB -0.413 41.336 42.059 -0.517 0.000 0.927 273 L HN 0.461 nan 8.230 nan 0.000 0.446 274 S N 0.349 116.052 115.700 0.005 0.000 2.365 274 S HA -0.240 4.231 4.470 0.001 0.000 0.225 274 S C 1.948 176.618 174.600 0.116 0.000 1.039 274 S CA 1.625 59.868 58.200 0.071 0.000 1.033 274 S CB -0.094 63.139 63.200 0.055 0.000 0.887 274 S HN 0.385 nan 8.310 nan 0.000 0.447 275 K N 0.707 121.159 120.400 0.086 0.000 2.155 275 K HA -0.032 4.288 4.320 0.001 0.000 0.203 275 K C 2.445 179.120 176.600 0.126 0.000 1.052 275 K CA 0.705 57.053 56.287 0.101 0.000 0.948 275 K CB -0.112 32.430 32.500 0.070 0.000 0.728 275 K HN 0.355 nan 8.250 nan 0.000 0.448 276 Q N 0.751 120.617 119.800 0.110 0.000 2.050 276 Q HA -0.163 4.178 4.340 0.001 0.000 0.202 276 Q C 2.074 178.204 176.000 0.218 0.000 0.980 276 Q CA 1.619 57.501 55.803 0.132 0.000 0.840 276 Q CB -0.101 28.663 28.738 0.043 0.000 0.898 276 Q HN 0.320 nan 8.270 nan 0.000 0.424 277 A N 0.103 123.060 122.820 0.229 0.000 1.940 277 A HA -0.145 4.176 4.320 0.001 0.000 0.219 277 A C 2.237 180.061 177.584 0.400 0.000 1.176 277 A CA 1.570 53.754 52.037 0.245 0.000 0.631 277 A CB -0.771 18.293 19.000 0.107 0.000 0.814 277 A HN 0.311 nan 8.150 nan 0.000 0.446 278 V N -0.283 119.832 119.914 0.335 0.000 2.295 278 V HA -0.250 3.870 4.120 0.001 0.000 0.246 278 V C 3.065 179.282 176.094 0.204 0.000 1.049 278 V CA 1.967 64.433 62.300 0.276 0.000 1.024 278 V CB -1.116 30.820 31.823 0.189 0.000 0.648 278 V HN 0.631 nan 8.190 nan 0.000 0.447 279 A N -1.147 121.800 122.820 0.212 0.000 1.902 279 A HA -0.282 4.039 4.320 0.001 0.000 0.217 279 A C 2.161 179.885 177.584 0.234 0.000 1.181 279 A CA 2.093 54.249 52.037 0.198 0.000 0.623 279 A CB -0.797 18.335 19.000 0.221 0.000 0.818 279 A HN 0.617 nan 8.150 nan 0.000 0.443 280 Y N 0.393 120.804 120.300 0.185 0.000 2.224 280 Y HA -0.180 4.371 4.550 0.001 0.000 0.289 280 Y C 2.494 178.462 175.900 0.114 0.000 1.146 280 Y CA 1.897 60.098 58.100 0.169 0.000 1.182 280 Y CB -0.331 38.264 38.460 0.226 0.000 0.983 280 Y HN 0.365 nan 8.280 nan 0.000 0.524 281 R N 0.225 120.817 120.500 0.153 0.000 2.092 281 R HA -0.222 4.119 4.340 0.001 0.000 0.231 281 R C 2.403 178.653 176.300 -0.085 0.000 1.119 281 R CA 1.713 57.818 56.100 0.009 0.000 0.970 281 R CB -0.374 29.906 30.300 -0.034 0.000 0.864 281 R HN 0.543 nan 8.270 nan 0.000 0.440 282 Q N 0.490 120.267 119.800 -0.039 0.000 2.096 282 Q HA -0.195 4.145 4.340 0.001 0.000 0.204 282 Q C 2.116 178.058 176.000 -0.097 0.000 0.982 282 Q CA 1.626 57.398 55.803 -0.052 0.000 0.850 282 Q CB -0.116 28.617 28.738 -0.009 0.000 0.901 282 Q HN 0.492 nan 8.270 nan 0.000 0.422 283 L N 0.149 121.290 121.223 -0.138 0.000 2.027 283 L HA -0.145 4.196 4.340 0.001 0.000 0.206 283 L C 2.333 179.057 176.870 -0.243 0.000 1.074 283 L CA 1.577 56.300 54.840 -0.196 0.000 0.745 283 L CB -0.313 41.595 42.059 -0.251 0.000 0.898 283 L HN 0.301 nan 8.230 nan 0.000 0.433 284 S N 0.262 115.759 115.700 -0.339 0.000 2.370 284 S HA -0.188 4.282 4.470 0.001 0.000 0.226 284 S C 1.878 176.384 174.600 -0.156 0.000 1.033 284 S CA 1.303 59.335 58.200 -0.280 0.000 1.011 284 S CB -0.330 62.677 63.200 -0.321 0.000 0.852 284 S HN 0.356 nan 8.310 nan 0.000 0.457 285 L N 0.812 121.956 121.223 -0.130 0.000 2.109 285 L HA 0.005 4.346 4.340 0.001 0.000 0.207 285 L C 2.173 178.995 176.870 -0.080 0.000 1.086 285 L CA 0.840 55.625 54.840 -0.091 0.000 0.760 285 L CB -0.549 41.460 42.059 -0.083 0.000 0.910 285 L HN 0.269 nan 8.230 nan 0.000 0.437 286 L N -0.514 120.657 121.223 -0.088 0.000 2.141 286 L HA -0.187 4.153 4.340 0.001 0.000 0.209 286 L C 2.219 179.042 176.870 -0.078 0.000 1.094 286 L CA 0.934 55.728 54.840 -0.076 0.000 0.763 286 L CB -0.328 41.685 42.059 -0.077 0.000 0.908 286 L HN 0.273 nan 8.230 nan 0.000 0.437 287 L N -0.427 120.739 121.223 -0.096 0.000 2.610 287 L HA 0.009 4.350 4.340 0.001 0.000 0.232 287 L C 0.870 177.701 176.870 -0.066 0.000 1.149 287 L CA 0.267 55.056 54.840 -0.086 0.000 0.872 287 L CB -0.188 41.805 42.059 -0.110 0.000 0.992 287 L HN 0.285 nan 8.230 nan 0.000 0.447 288 R N -0.617 119.845 120.500 -0.063 0.000 3.878 288 R HA -0.136 4.204 4.340 0.001 0.000 0.330 288 R C -0.234 176.041 176.300 -0.041 0.000 1.186 288 R CA 0.320 56.392 56.100 -0.047 0.000 0.885 288 R CB -1.664 28.614 30.300 -0.037 0.000 1.377 288 R HN 0.343 nan 8.270 nan 0.000 0.523 289 R N 1.410 121.880 120.500 -0.050 0.000 2.537 289 R HA 0.131 4.472 4.340 0.001 0.000 0.280 289 R C -2.129 174.156 176.300 -0.025 0.000 1.058 289 R CA -1.568 54.511 56.100 -0.035 0.000 1.057 289 R CB -0.066 30.207 30.300 -0.046 0.000 0.973 289 R HN -0.087 nan 8.270 nan 0.000 0.438 290 P HA 0.048 nan 4.420 nan 0.000 0.262 290 P C -2.184 175.118 177.300 0.003 0.000 1.199 290 P CA -0.860 62.237 63.100 -0.005 0.000 0.763 290 P CB -0.099 31.603 31.700 0.003 0.000 0.790 291 P HA 0.089 nan 4.420 nan 0.000 0.267 291 P C 0.492 177.797 177.300 0.008 0.000 1.209 291 P CA 0.347 63.444 63.100 -0.004 0.000 0.763 291 P CB 0.929 32.612 31.700 -0.028 0.000 0.816 292 G N 3.232 112.054 108.800 0.036 0.000 2.882 292 G HA2 0.252 4.212 3.960 0.001 0.000 0.164 292 G HA3 0.252 4.212 3.960 0.001 0.000 0.164 292 G C -0.312 174.579 174.900 -0.015 0.000 1.429 292 G CA -0.787 44.321 45.100 0.013 0.000 1.059 292 G HN 0.517 nan 8.290 nan 0.000 0.581 293 R N 0.522 120.961 120.500 -0.101 0.000 2.538 293 R HA 0.070 4.411 4.340 0.001 0.000 0.282 293 R C 0.282 176.604 176.300 0.037 0.000 1.009 293 R CA 0.842 56.842 56.100 -0.166 0.000 1.063 293 R CB -0.177 29.779 30.300 -0.574 0.000 0.945 293 R HN 0.712 nan 8.270 nan 0.000 0.414 294 E N 2.486 122.724 120.200 0.064 0.000 2.885 294 E HA -0.360 3.990 4.350 0.001 0.000 0.267 294 E C 0.333 176.920 176.600 -0.022 0.000 1.100 294 E CA 0.560 57.037 56.400 0.129 0.000 0.779 294 E CB -1.073 28.844 29.700 0.361 0.000 1.383 294 E HN 0.876 nan 8.360 nan 0.000 0.443 295 A N -2.538 120.263 122.820 -0.031 0.000 3.201 295 A HA -0.286 4.035 4.320 0.001 0.000 0.260 295 A C 0.046 177.554 177.584 -0.127 0.000 1.222 295 A CA 1.547 53.519 52.037 -0.110 0.000 1.124 295 A CB -2.022 16.878 19.000 -0.167 0.000 1.155 295 A HN 0.391 nan 8.150 nan 0.000 0.924 296 Y N 0.927 121.303 120.300 0.127 0.000 2.326 296 Y HA 0.474 5.024 4.550 0.001 0.000 0.333 296 Y C -1.114 174.885 175.900 0.164 0.000 1.240 296 Y CA -1.244 56.965 58.100 0.181 0.000 1.365 296 Y CB 0.298 38.949 38.460 0.317 0.000 1.289 296 Y HN 0.251 nan 8.280 nan 0.000 0.548 297 P HA 0.032 nan 4.420 nan 0.000 0.274 297 P C 0.535 178.003 177.300 0.280 0.000 1.256 297 P CA 0.018 63.247 63.100 0.215 0.000 0.795 297 P CB 0.816 32.621 31.700 0.175 0.000 1.038 298 G N 0.841 109.768 108.800 0.211 0.000 2.422 298 G HA2 -0.209 3.752 3.960 0.001 0.000 0.218 298 G HA3 -0.209 3.752 3.960 0.001 0.000 0.218 298 G C 0.713 175.772 174.900 0.265 0.000 1.140 298 G CA 0.688 45.917 45.100 0.215 0.000 0.775 298 G HN 0.618 nan 8.290 nan 0.000 0.545 299 D N 0.260 120.832 120.400 0.286 0.000 2.325 299 D HA 0.062 4.702 4.640 0.001 0.000 0.225 299 D C 1.808 178.289 176.300 0.302 0.000 1.096 299 D CA -0.266 53.926 54.000 0.320 0.000 0.844 299 D CB 0.011 41.010 40.800 0.333 0.000 0.925 299 D HN 0.122 nan 8.370 nan 0.000 0.513 300 V N -0.225 119.861 119.914 0.287 0.000 2.913 300 V HA -0.115 4.006 4.120 0.001 0.000 0.260 300 V C 1.565 177.603 176.094 -0.093 0.000 1.098 300 V CA 1.099 63.459 62.300 0.100 0.000 1.121 300 V CB -0.756 31.137 31.823 0.115 0.000 0.714 300 V HN 0.243 nan 8.190 nan 0.000 0.487 301 F N -0.184 119.723 119.950 -0.071 0.000 2.187 301 F HA -0.089 4.439 4.527 0.001 0.000 0.295 301 F C 2.048 177.851 175.800 0.005 0.000 1.091 301 F CA 1.838 59.792 58.000 -0.078 0.000 1.308 301 F CB -0.631 38.366 39.000 -0.004 0.000 1.030 301 F HN 0.303 nan 8.300 nan 0.000 0.487 302 Y N 0.698 120.893 120.300 -0.175 0.000 2.333 302 Y HA -0.161 4.389 4.550 0.001 0.000 0.290 302 Y C 2.067 177.826 175.900 -0.235 0.000 1.144 302 Y CA 1.392 59.355 58.100 -0.227 0.000 1.228 302 Y CB -0.726 37.727 38.460 -0.012 0.000 0.985 302 Y HN 0.245 nan 8.280 nan 0.000 0.542 303 L N -0.129 120.918 121.223 -0.293 0.000 1.970 303 L HA -0.275 4.066 4.340 0.001 0.000 0.212 303 L C 2.277 178.946 176.870 -0.335 0.000 1.071 303 L CA 2.429 57.034 54.840 -0.393 0.000 0.751 303 L CB -0.973 40.734 42.059 -0.586 0.000 0.889 303 L HN 0.349 nan 8.230 nan 0.000 0.432 304 H N -1.704 117.147 119.070 -0.365 0.000 2.395 304 H HA -0.069 4.487 4.556 0.001 0.000 0.299 304 H C 2.379 177.449 175.328 -0.429 0.000 1.070 304 H CA 1.017 56.824 56.048 -0.402 0.000 1.356 304 H CB 0.018 29.580 29.762 -0.334 0.000 1.401 304 H HN 0.554 nan 8.280 nan 0.000 0.524 305 S N 1.511 116.935 115.700 -0.460 0.000 2.355 305 S HA -0.216 4.255 4.470 0.001 0.000 0.222 305 S C 2.156 176.586 174.600 -0.283 0.000 1.031 305 S CA 1.111 59.031 58.200 -0.466 0.000 0.993 305 S CB -0.238 62.469 63.200 -0.821 0.000 0.859 305 S HN 0.532 nan 8.310 nan 0.000 0.453 306 R N 1.104 121.385 120.500 -0.365 0.000 2.073 306 R HA -0.002 4.339 4.340 0.001 0.000 0.234 306 R C 2.393 178.621 176.300 -0.120 0.000 1.134 306 R CA 1.415 57.348 56.100 -0.279 0.000 0.952 306 R CB -1.052 28.897 30.300 -0.585 0.000 0.850 306 R HN 0.425 nan 8.270 nan 0.000 0.433 307 L N 1.410 122.577 121.223 -0.094 0.000 1.963 307 L HA -0.169 4.172 4.340 0.001 0.000 0.220 307 L C 2.304 179.082 176.870 -0.153 0.000 1.076 307 L CA 1.851 56.590 54.840 -0.167 0.000 0.772 307 L CB -0.417 41.296 42.059 -0.578 0.000 0.892 307 L HN 0.294 nan 8.230 nan 0.000 0.435 308 L N -0.724 120.396 121.223 -0.172 0.000 2.291 308 L HA -0.100 4.240 4.340 0.001 0.000 0.214 308 L C 2.497 179.352 176.870 -0.025 0.000 1.120 308 L CA 0.586 55.379 54.840 -0.080 0.000 0.799 308 L CB -0.668 41.335 42.059 -0.093 0.000 0.925 308 L HN 0.352 nan 8.230 nan 0.000 0.446 309 E N 0.571 120.747 120.200 -0.039 0.000 2.267 309 E HA -0.208 4.142 4.350 0.001 0.000 0.197 309 E C 2.114 178.723 176.600 0.015 0.000 0.998 309 E CA 0.888 57.285 56.400 -0.006 0.000 0.830 309 E CB -0.010 29.687 29.700 -0.005 0.000 0.751 309 E HN 0.506 nan 8.360 nan 0.000 0.491 310 R N 0.446 120.959 120.500 0.021 0.000 2.235 310 R HA 0.054 4.395 4.340 0.001 0.000 0.213 310 R C 0.987 177.318 176.300 0.052 0.000 1.059 310 R CA 0.365 56.490 56.100 0.041 0.000 0.997 310 R CB -0.007 30.326 30.300 0.056 0.000 0.884 310 R HN -0.054 nan 8.270 nan 0.000 0.462 311 A N 1.132 123.985 122.820 0.055 0.000 2.425 311 A HA 0.582 4.902 4.320 0.001 0.000 0.249 311 A C -0.030 177.577 177.584 0.039 0.000 1.084 311 A CA 0.264 52.333 52.037 0.052 0.000 0.781 311 A CB 0.418 19.449 19.000 0.053 0.000 1.019 311 A HN 0.320 nan 8.150 nan 0.000 0.490 312 A N 1.563 124.406 122.820 0.038 0.000 2.544 312 A HA 0.664 4.984 4.320 0.001 0.000 0.291 312 A C -0.942 176.664 177.584 0.038 0.000 1.055 312 A CA -0.579 51.478 52.037 0.034 0.000 0.651 312 A CB 0.825 19.843 19.000 0.030 0.000 1.296 312 A HN 1.120 nan 8.150 nan 0.000 0.431 313 K N 0.935 121.358 120.400 0.038 0.000 2.323 313 K HA 0.751 5.072 4.320 0.001 0.000 0.259 313 K C -1.387 175.239 176.600 0.044 0.000 0.947 313 K CA -0.305 56.011 56.287 0.048 0.000 0.819 313 K CB 0.789 33.317 32.500 0.047 0.000 1.109 313 K HN 0.609 nan 8.250 nan 0.000 0.429 314 L N 3.018 124.263 121.223 0.037 0.000 2.379 314 L HA 0.440 4.781 4.340 0.001 0.000 0.269 314 L C 0.413 177.302 176.870 0.032 0.000 1.084 314 L CA -1.052 53.801 54.840 0.021 0.000 0.802 314 L CB 1.635 43.690 42.059 -0.007 0.000 1.175 314 L HN 0.902 nan 8.230 nan 0.000 0.448 315 S N -0.049 115.664 115.700 0.021 0.000 2.589 315 S HA 0.045 4.516 4.470 0.001 0.000 0.265 315 S C 0.879 175.488 174.600 0.015 0.000 1.342 315 S CA -0.487 57.725 58.200 0.021 0.000 1.005 315 S CB 0.900 64.107 63.200 0.011 0.000 0.909 315 S HN 0.713 nan 8.310 nan 0.000 0.555 316 E N 1.026 121.235 120.200 0.017 0.000 2.086 316 E HA -0.294 4.057 4.350 0.001 0.000 0.205 316 E C 1.951 178.550 176.600 -0.002 0.000 1.027 316 E CA 1.935 58.340 56.400 0.009 0.000 0.830 316 E CB -0.229 29.474 29.700 0.005 0.000 0.751 316 E HN 0.778 nan 8.360 nan 0.000 0.456 317 K N 0.526 120.923 120.400 -0.005 0.000 2.097 317 K HA -0.152 4.168 4.320 0.001 0.000 0.206 317 K C 1.436 178.025 176.600 -0.018 0.000 1.049 317 K CA 1.095 57.376 56.287 -0.010 0.000 0.933 317 K CB 0.212 32.707 32.500 -0.008 0.000 0.717 317 K HN -0.019 nan 8.250 nan 0.000 0.442 318 E N -0.645 119.544 120.200 -0.019 0.000 2.445 318 E HA 0.033 4.384 4.350 0.001 0.000 0.189 318 E C 0.814 177.386 176.600 -0.047 0.000 1.069 318 E CA 0.681 57.062 56.400 -0.032 0.000 0.871 318 E CB 0.731 30.416 29.700 -0.025 0.000 0.991 318 E HN 0.598 nan 8.360 nan 0.000 0.481 319 G N 1.001 109.778 108.800 -0.039 0.000 2.175 319 G HA2 -0.361 3.600 3.960 0.001 0.000 0.244 319 G HA3 -0.361 3.600 3.960 0.001 0.000 0.244 319 G C 0.638 175.510 174.900 -0.046 0.000 0.982 319 G CA 0.392 45.461 45.100 -0.051 0.000 0.641 319 G HN 0.186 nan 8.290 nan 0.000 0.527 320 S N -1.778 113.908 115.700 -0.023 0.000 3.261 320 S HA -0.162 4.309 4.470 0.001 0.000 0.287 320 S C 1.854 176.438 174.600 -0.026 0.000 1.281 320 S CA 1.514 59.721 58.200 0.013 0.000 1.053 320 S CB -1.597 61.634 63.200 0.053 0.000 1.251 320 S HN 2.256 nan 8.310 nan 0.000 0.659 321 G N 1.232 109.957 108.800 -0.126 0.000 2.716 321 G HA2 0.483 4.444 3.960 0.001 0.000 0.251 321 G HA3 0.483 4.444 3.960 0.001 0.000 0.251 321 G C -0.034 174.805 174.900 -0.102 0.000 1.224 321 G CA 0.424 45.366 45.100 -0.264 0.000 0.891 321 G HN 1.445 nan 8.290 nan 0.000 0.561 322 S N -1.248 114.413 115.700 -0.066 0.000 2.535 322 S HA 0.517 4.988 4.470 0.001 0.000 0.272 322 S C -1.383 173.279 174.600 0.102 0.000 1.149 322 S CA -0.841 57.419 58.200 0.100 0.000 0.888 322 S CB 1.812 65.157 63.200 0.242 0.000 1.110 322 S HN 1.000 nan 8.310 nan 0.000 0.463 323 L N 2.353 123.623 121.223 0.077 0.000 2.325 323 L HA 0.752 5.093 4.340 0.001 0.000 0.281 323 L C -0.598 176.300 176.870 0.047 0.000 1.004 323 L CA 0.269 55.154 54.840 0.076 0.000 0.823 323 L CB 1.848 43.956 42.059 0.081 0.000 1.236 323 L HN 0.907 nan 8.230 nan 0.000 0.415 324 T N 4.660 119.228 114.554 0.024 0.000 2.794 324 T HA 0.778 5.128 4.350 0.001 0.000 0.280 324 T C -0.307 174.375 174.700 -0.030 0.000 0.987 324 T CA -0.300 61.798 62.100 -0.003 0.000 0.993 324 T CB 1.337 70.191 68.868 -0.023 0.000 0.939 324 T HN 0.778 nan 8.240 nan 0.000 0.449 325 A N 3.697 126.506 122.820 -0.017 0.000 2.304 325 A HA 0.726 5.047 4.320 0.001 0.000 0.323 325 A C -0.303 177.258 177.584 -0.038 0.000 1.195 325 A CA -0.667 51.346 52.037 -0.040 0.000 0.826 325 A CB 0.341 19.396 19.000 0.092 0.000 1.184 325 A HN 0.880 nan 8.150 nan 0.000 0.496 326 L N 5.052 126.219 121.223 -0.094 0.000 2.435 326 L HA 0.307 4.648 4.340 0.001 0.000 0.253 326 L C -2.260 174.597 176.870 -0.023 0.000 1.087 326 L CA -1.761 53.053 54.840 -0.044 0.000 0.950 326 L CB 1.344 43.379 42.059 -0.039 0.000 1.304 326 L HN 0.509 nan 8.230 nan 0.000 0.453 327 P HA 0.128 nan 4.420 nan 0.000 0.275 327 P C -0.518 176.781 177.300 -0.002 0.000 1.228 327 P CA -0.147 62.996 63.100 0.073 0.000 0.786 327 P CB 2.028 33.733 31.700 0.010 0.000 0.927 328 V N 4.404 124.307 119.914 -0.019 0.000 2.459 328 V HA 0.377 4.498 4.120 0.001 0.000 0.295 328 V C 0.443 176.513 176.094 -0.040 0.000 1.029 328 V CA -0.595 61.693 62.300 -0.020 0.000 0.874 328 V CB 1.630 33.446 31.823 -0.012 0.000 0.985 328 V HN 0.438 nan 8.190 nan 0.000 0.438 329 I N 3.494 124.051 120.570 -0.022 0.000 2.646 329 I HA 0.473 4.643 4.170 0.001 0.000 0.299 329 I C -0.039 176.086 176.117 0.014 0.000 1.036 329 I CA -0.412 60.879 61.300 -0.016 0.000 1.074 329 I CB 2.211 40.200 38.000 -0.018 0.000 1.258 329 I HN 0.721 nan 8.210 nan 0.000 0.430 330 E N 4.725 124.937 120.200 0.021 0.000 2.102 330 E HA 0.286 4.637 4.350 0.001 0.000 0.263 330 E C -0.539 176.092 176.600 0.051 0.000 0.894 330 E CA -0.433 55.984 56.400 0.028 0.000 0.746 330 E CB 1.059 30.772 29.700 0.021 0.000 1.129 330 E HN 0.710 nan 8.360 nan 0.000 0.416 331 T N 1.891 116.487 114.554 0.070 0.000 2.860 331 T HA 0.181 4.532 4.350 0.001 0.000 0.299 331 T C 0.225 174.966 174.700 0.068 0.000 1.045 331 T CA -0.758 61.395 62.100 0.089 0.000 1.071 331 T CB 1.265 70.220 68.868 0.144 0.000 0.985 331 T HN 0.335 nan 8.240 nan 0.000 0.537 332 Q N 0.510 120.352 119.800 0.070 0.000 2.293 332 Q HA 0.463 4.804 4.340 0.001 0.000 0.261 332 Q C 1.149 177.183 176.000 0.057 0.000 0.960 332 Q CA 0.138 55.975 55.803 0.056 0.000 0.882 332 Q CB 1.366 30.139 28.738 0.059 0.000 1.275 332 Q HN 1.267 nan 8.270 nan 0.000 0.445 333 G N 1.817 110.644 108.800 0.044 0.000 2.296 333 G HA2 -0.293 3.668 3.960 0.001 0.000 0.282 333 G HA3 -0.293 3.668 3.960 0.001 0.000 0.282 333 G C 0.808 175.749 174.900 0.068 0.000 1.014 333 G CA 0.962 46.088 45.100 0.044 0.000 0.812 333 G HN 1.309 nan 8.290 nan 0.000 0.508 334 G N -0.918 107.941 108.800 0.098 0.000 2.153 334 G HA2 -0.202 3.759 3.960 0.001 0.000 0.252 334 G HA3 -0.202 3.759 3.960 0.001 0.000 0.252 334 G C 0.125 175.107 174.900 0.137 0.000 0.994 334 G CA 1.003 46.208 45.100 0.174 0.000 0.698 334 G HN 1.515 nan 8.290 nan 0.000 0.521 335 D N 0.369 120.822 120.400 0.087 0.000 2.393 335 D HA 0.423 5.063 4.640 0.001 0.000 0.232 335 D C 1.700 178.019 176.300 0.033 0.000 1.192 335 D CA 0.183 54.209 54.000 0.044 0.000 0.882 335 D CB 0.884 41.711 40.800 0.044 0.000 1.038 335 D HN 0.583 nan 8.370 nan 0.000 0.499 336 V N 1.334 121.230 119.914 -0.030 0.000 3.510 336 V HA 0.059 4.179 4.120 0.001 0.000 0.270 336 V C 1.327 177.408 176.094 -0.022 0.000 1.201 336 V CA 0.604 62.877 62.300 -0.046 0.000 1.166 336 V CB -0.175 31.544 31.823 -0.174 0.000 0.825 336 V HN 0.350 nan 8.190 nan 0.000 0.484 337 S N 0.600 116.296 115.700 -0.006 0.000 2.575 337 S HA 0.559 5.030 4.470 0.001 0.000 0.215 337 S C 1.297 175.929 174.600 0.052 0.000 0.966 337 S CA 0.334 58.542 58.200 0.014 0.000 0.911 337 S CB -0.082 63.120 63.200 0.004 0.000 0.780 337 S HN 0.902 nan 8.310 nan 0.000 0.514 338 A N 0.628 123.488 122.820 0.067 0.000 2.409 338 A HA 0.240 4.561 4.320 0.001 0.000 0.246 338 A C 0.949 178.625 177.584 0.153 0.000 1.099 338 A CA -0.051 52.053 52.037 0.110 0.000 0.789 338 A CB -0.221 18.846 19.000 0.111 0.000 1.053 338 A HN 0.361 nan 8.150 nan 0.000 0.503 339 Y N 0.678 120.997 120.300 0.032 0.000 2.070 339 Y HA -0.230 4.320 4.550 0.001 0.000 0.280 339 Y C 1.962 177.854 175.900 -0.014 0.000 1.148 339 Y CA 2.281 60.389 58.100 0.012 0.000 1.125 339 Y CB -0.213 38.267 38.460 0.033 0.000 0.975 339 Y HN 0.477 nan 8.280 nan 0.000 0.492 340 I N 0.254 120.749 120.570 -0.126 0.000 2.252 340 I HA -0.157 4.014 4.170 0.001 0.000 0.245 340 I C -0.403 175.666 176.117 -0.081 0.000 1.102 340 I CA 1.099 62.259 61.300 -0.234 0.000 1.385 340 I CB -2.777 35.082 38.000 -0.234 0.000 1.064 340 I HN 0.159 nan 8.210 nan 0.000 0.414 341 P HA -0.165 nan 4.420 nan 0.000 0.214 341 P C 1.874 179.177 177.300 0.006 0.000 1.163 341 P CA 2.605 65.710 63.100 0.007 0.000 0.889 341 P CB -0.255 31.463 31.700 0.030 0.000 0.790 342 T N -4.147 110.414 114.554 0.012 0.000 2.915 342 T HA -0.093 4.258 4.350 0.001 0.000 0.269 342 T C 1.719 176.432 174.700 0.022 0.000 1.071 342 T CA 1.130 63.242 62.100 0.019 0.000 1.132 342 T CB -1.023 67.867 68.868 0.036 0.000 0.878 342 T HN -0.052 nan 8.240 nan 0.000 0.479 343 N N 1.518 120.213 118.700 -0.007 0.000 2.025 343 N HA -0.055 4.686 4.740 0.001 0.000 0.194 343 N C 2.002 177.618 175.510 0.177 0.000 1.044 343 N CA 1.407 54.506 53.050 0.082 0.000 0.851 343 N CB -0.902 37.585 38.487 0.000 0.000 1.036 343 N HN 0.336 nan 8.380 nan 0.000 0.422 344 V N 1.687 121.650 119.914 0.083 0.000 2.295 344 V HA -0.174 3.947 4.120 0.001 0.000 0.246 344 V C 2.244 178.362 176.094 0.039 0.000 1.049 344 V CA 1.222 63.541 62.300 0.032 0.000 1.024 344 V CB -0.576 31.206 31.823 -0.070 0.000 0.648 344 V HN 0.244 nan 8.190 nan 0.000 0.447 345 I N 1.582 122.172 120.570 0.033 0.000 2.300 345 I HA -0.275 3.896 4.170 0.001 0.000 0.252 345 I C 2.312 178.462 176.117 0.055 0.000 1.119 345 I CA 2.029 63.350 61.300 0.035 0.000 1.384 345 I CB -0.452 37.560 38.000 0.020 0.000 1.062 345 I HN 0.504 nan 8.210 nan 0.000 0.426 346 S N -0.583 115.170 115.700 0.088 0.000 2.631 346 S HA 0.195 4.666 4.470 0.001 0.000 0.217 346 S C 1.402 176.106 174.600 0.174 0.000 0.958 346 S CA 0.018 58.285 58.200 0.110 0.000 0.920 346 S CB -0.236 63.011 63.200 0.079 0.000 0.776 346 S HN 0.455 nan 8.310 nan 0.000 0.517 347 I N 1.318 121.976 120.570 0.146 0.000 3.366 347 I HA 0.086 4.257 4.170 0.001 0.000 0.267 347 I C 1.399 177.547 176.117 0.052 0.000 1.149 347 I CA 0.478 61.841 61.300 0.105 0.000 1.436 347 I CB -0.366 37.660 38.000 0.042 0.000 1.379 347 I HN 0.302 nan 8.210 nan 0.000 0.460 348 T N -1.377 113.198 114.554 0.034 0.000 2.726 348 T HA 0.080 4.431 4.350 0.001 0.000 0.294 348 T C 0.290 175.008 174.700 0.030 0.000 1.013 348 T CA -0.314 61.799 62.100 0.023 0.000 0.996 348 T CB 0.641 69.517 68.868 0.013 0.000 1.016 348 T HN 0.028 nan 8.240 nan 0.000 0.529 349 D N 0.489 120.904 120.400 0.025 0.000 2.460 349 D HA 0.417 5.058 4.640 0.001 0.000 0.229 349 D C 0.881 177.196 176.300 0.025 0.000 1.170 349 D CA 0.387 54.402 54.000 0.025 0.000 0.827 349 D CB -0.221 40.593 40.800 0.022 0.000 0.973 349 D HN 0.991 nan 8.370 nan 0.000 0.496 350 G N 0.473 109.289 108.800 0.027 0.000 2.351 350 G HA2 0.179 4.140 3.960 0.001 0.000 0.353 350 G HA3 0.179 4.140 3.960 0.001 0.000 0.353 350 G C -1.764 173.157 174.900 0.035 0.000 1.358 350 G CA -1.041 44.077 45.100 0.029 0.000 0.995 350 G HN 0.041 nan 8.290 nan 0.000 0.611 351 Q N -0.981 118.847 119.800 0.047 0.000 2.389 351 Q HA 0.747 5.088 4.340 0.001 0.000 0.277 351 Q C -0.568 175.484 176.000 0.086 0.000 1.082 351 Q CA -0.589 55.254 55.803 0.067 0.000 0.810 351 Q CB 2.728 31.515 28.738 0.081 0.000 1.374 351 Q HN 0.618 nan 8.270 nan 0.000 0.422 352 I N 2.401 123.026 120.570 0.091 0.000 2.337 352 I HA 0.304 4.475 4.170 0.001 0.000 0.285 352 I C -1.042 175.162 176.117 0.144 0.000 1.041 352 I CA -0.624 60.735 61.300 0.098 0.000 1.199 352 I CB 0.432 38.466 38.000 0.055 0.000 1.370 352 I HN 0.528 nan 8.210 nan 0.000 0.470 353 F N 8.068 128.031 119.950 0.021 0.000 2.420 353 F HA 0.522 5.050 4.527 0.001 0.000 0.352 353 F C -0.750 175.070 175.800 0.032 0.000 1.108 353 F CA -0.549 57.464 58.000 0.022 0.000 1.162 353 F CB 0.645 39.657 39.000 0.020 0.000 1.118 353 F HN 0.182 nan 8.300 nan 0.000 0.510 354 L N 6.238 127.012 121.223 -0.749 0.000 2.287 354 L HA 0.389 4.729 4.340 0.001 0.000 0.287 354 L C -0.102 176.241 176.870 -0.879 0.000 1.022 354 L CA -0.613 53.880 54.840 -0.578 0.000 0.814 354 L CB 1.344 43.243 42.059 -0.266 0.000 1.217 354 L HN 0.551 nan 8.230 nan 0.000 0.420 355 E N 1.450 121.347 120.200 -0.505 0.000 2.259 355 E HA 0.239 4.590 4.350 0.001 0.000 0.281 355 E C 0.416 176.979 176.600 -0.062 0.000 1.027 355 E CA -0.181 56.061 56.400 -0.264 0.000 0.838 355 E CB 2.053 31.755 29.700 0.004 0.000 1.066 355 E HN 0.764 nan 8.360 nan 0.000 0.401 356 A N 3.668 126.469 122.820 -0.032 0.000 2.015 356 A HA -0.184 4.136 4.320 0.001 0.000 0.219 356 A C 1.874 179.556 177.584 0.163 0.000 1.163 356 A CA 1.252 53.316 52.037 0.044 0.000 0.646 356 A CB -0.142 18.853 19.000 -0.008 0.000 0.806 356 A HN 0.588 nan 8.150 nan 0.000 0.448 357 E N 0.712 120.992 120.200 0.133 0.000 2.051 357 E HA -0.151 4.200 4.350 0.001 0.000 0.192 357 E C 1.811 178.520 176.600 0.181 0.000 0.991 357 E CA 1.519 58.018 56.400 0.164 0.000 0.799 357 E CB -0.514 29.259 29.700 0.121 0.000 0.748 357 E HN 0.598 nan 8.360 nan 0.000 0.449 358 L N -0.534 120.772 121.223 0.138 0.000 2.046 358 L HA -0.111 4.229 4.340 0.001 0.000 0.208 358 L C 2.472 179.412 176.870 0.116 0.000 1.077 358 L CA 1.296 56.199 54.840 0.104 0.000 0.747 358 L CB -0.577 41.528 42.059 0.077 0.000 0.896 358 L HN 0.134 nan 8.230 nan 0.000 0.432 359 F N -0.186 119.782 119.950 0.029 0.000 2.126 359 F HA -0.329 4.198 4.527 0.001 0.000 0.299 359 F C 2.578 178.426 175.800 0.080 0.000 1.096 359 F CA 1.671 59.691 58.000 0.032 0.000 1.255 359 F CB -0.252 38.759 39.000 0.018 0.000 0.997 359 F HN 0.030 nan 8.300 nan 0.000 0.479 360 Y N 1.028 121.449 120.300 0.201 0.000 2.314 360 Y HA -0.059 4.491 4.550 0.001 0.000 0.293 360 Y C 2.052 177.965 175.900 0.021 0.000 1.129 360 Y CA 1.461 59.632 58.100 0.119 0.000 1.201 360 Y CB -0.510 38.021 38.460 0.119 0.000 0.999 360 Y HN -0.048 nan 8.280 nan 0.000 0.541 361 K N -0.530 119.802 120.400 -0.115 0.000 2.365 361 K HA 0.076 4.397 4.320 0.001 0.000 0.199 361 K C 1.417 177.899 176.600 -0.197 0.000 1.045 361 K CA 0.896 57.065 56.287 -0.198 0.000 0.962 361 K CB -0.218 32.249 32.500 -0.056 0.000 0.759 361 K HN 0.557 nan 8.250 nan 0.000 0.469 362 G N 1.282 109.959 108.800 -0.204 0.000 2.201 362 G HA2 -0.222 3.739 3.960 0.001 0.000 0.212 362 G HA3 -0.222 3.739 3.960 0.001 0.000 0.212 362 G C 0.164 174.955 174.900 -0.181 0.000 0.994 362 G CA -0.408 44.562 45.100 -0.216 0.000 0.644 362 G HN 0.182 nan 8.290 nan 0.000 0.508 363 I N 2.742 123.235 120.570 -0.127 0.000 2.471 363 I HA 0.310 4.481 4.170 0.001 0.000 0.294 363 I C 0.800 176.848 176.117 -0.114 0.000 1.123 363 I CA 0.382 61.635 61.300 -0.079 0.000 1.336 363 I CB 0.034 38.023 38.000 -0.017 0.000 1.430 363 I HN 0.113 nan 8.210 nan 0.000 0.533 364 R N 6.101 126.520 120.500 -0.136 0.000 2.621 364 R HA 0.478 4.819 4.340 0.001 0.000 0.284 364 R C -2.788 173.472 176.300 -0.067 0.000 0.998 364 R CA -2.159 53.860 56.100 -0.136 0.000 0.895 364 R CB 1.176 31.301 30.300 -0.292 0.000 1.195 364 R HN 0.123 nan 8.270 nan 0.000 0.450 365 P HA -0.059 nan 4.420 nan 0.000 0.264 365 P C -0.248 177.068 177.300 0.027 0.000 1.183 365 P CA 0.248 63.356 63.100 0.014 0.000 0.763 365 P CB 0.609 32.319 31.700 0.016 0.000 0.807 366 A N 4.541 127.405 122.820 0.073 0.000 3.019 366 A HA 0.165 4.485 4.320 0.001 0.000 0.262 366 A C 0.453 178.048 177.584 0.019 0.000 1.509 366 A CA -0.289 51.788 52.037 0.068 0.000 1.159 366 A CB -1.335 17.766 19.000 0.169 0.000 1.042 366 A HN 0.507 nan 8.150 nan 0.000 0.641 367 I N 1.498 122.083 120.570 0.026 0.000 2.494 367 I HA -0.021 4.150 4.170 0.001 0.000 0.289 367 I C 0.632 176.788 176.117 0.065 0.000 1.106 367 I CA -0.221 61.098 61.300 0.031 0.000 1.369 367 I CB 0.223 38.250 38.000 0.046 0.000 1.410 367 I HN 0.343 nan 8.210 nan 0.000 0.523 368 N N 6.719 125.476 118.700 0.095 0.000 2.400 368 N HA 0.024 4.764 4.740 0.001 0.000 0.267 368 N C 0.840 176.448 175.510 0.163 0.000 1.208 368 N CA 0.053 53.206 53.050 0.170 0.000 0.951 368 N CB 1.228 39.927 38.487 0.353 0.000 1.227 368 N HN 0.411 nan 8.380 nan 0.000 0.488 369 V N 3.785 123.765 119.914 0.110 0.000 2.427 369 V HA -0.104 4.017 4.120 0.001 0.000 0.248 369 V C 2.474 178.615 176.094 0.077 0.000 1.051 369 V CA 1.893 64.247 62.300 0.091 0.000 1.048 369 V CB -1.052 30.820 31.823 0.081 0.000 0.666 369 V HN 0.710 nan 8.190 nan 0.000 0.456 370 G N 0.391 109.229 108.800 0.063 0.000 2.513 370 G HA2 -0.260 3.701 3.960 0.001 0.000 0.219 370 G HA3 -0.260 3.701 3.960 0.001 0.000 0.219 370 G C 1.359 176.280 174.900 0.034 0.000 1.160 370 G CA 1.184 46.305 45.100 0.035 0.000 0.767 370 G HN 0.498 nan 8.290 nan 0.000 0.571 371 L N 0.954 122.214 121.223 0.062 0.000 2.628 371 L HA 0.336 4.676 4.340 0.001 0.000 0.229 371 L C 0.641 177.559 176.870 0.079 0.000 1.137 371 L CA 0.124 54.978 54.840 0.022 0.000 0.909 371 L CB 0.696 42.701 42.059 -0.090 0.000 1.137 371 L HN -0.015 nan 8.230 nan 0.000 0.470 372 S N -1.045 114.718 115.700 0.106 0.000 2.549 372 S HA 0.740 5.211 4.470 0.001 0.000 0.297 372 S C -0.780 173.859 174.600 0.066 0.000 1.115 372 S CA -0.513 57.750 58.200 0.105 0.000 1.059 372 S CB 2.688 65.958 63.200 0.117 0.000 1.046 372 S HN -0.104 nan 8.310 nan 0.000 0.506 373 V N 1.673 121.620 119.914 0.057 0.000 3.077 373 V HA 0.719 4.840 4.120 0.001 0.000 0.299 373 V C -1.319 174.797 176.094 0.037 0.000 1.276 373 V CA -0.431 61.894 62.300 0.042 0.000 0.993 373 V CB 2.447 34.289 31.823 0.031 0.000 1.076 373 V HN 0.816 nan 8.190 nan 0.000 0.434 374 S N 4.905 120.624 115.700 0.032 0.000 2.596 374 S HA 0.559 5.029 4.470 0.001 0.000 0.318 374 S C 0.592 175.206 174.600 0.023 0.000 1.097 374 S CA -0.621 57.594 58.200 0.026 0.000 1.080 374 S CB 1.438 64.651 63.200 0.022 0.000 0.991 374 S HN 0.785 nan 8.310 nan 0.000 0.471 375 R N 2.606 123.119 120.500 0.022 0.000 2.240 375 R HA 0.071 4.412 4.340 0.001 0.000 0.203 375 R C 1.427 177.739 176.300 0.020 0.000 1.011 375 R CA 1.265 57.378 56.100 0.022 0.000 1.007 375 R CB -0.026 30.287 30.300 0.023 0.000 0.911 375 R HN 0.622 nan 8.270 nan 0.000 0.468 376 V N -5.432 114.493 119.914 0.018 0.000 3.485 376 V HA 0.385 4.506 4.120 0.001 0.000 0.280 376 V C 1.550 177.652 176.094 0.013 0.000 1.495 376 V CA 0.568 62.879 62.300 0.018 0.000 1.018 376 V CB 0.609 32.443 31.823 0.018 0.000 0.818 376 V HN 0.128 nan 8.190 nan 0.000 0.436 377 G N 1.194 109.999 108.800 0.009 0.000 2.448 377 G HA2 -0.116 3.845 3.960 0.001 0.000 0.218 377 G HA3 -0.116 3.845 3.960 0.001 0.000 0.218 377 G C 1.476 176.379 174.900 0.004 0.000 1.135 377 G CA 1.191 46.291 45.100 -0.000 0.000 0.784 377 G HN 0.528 nan 8.290 nan 0.000 0.543 378 S N 1.459 117.167 115.700 0.013 0.000 2.380 378 S HA -0.201 4.270 4.470 0.001 0.000 0.229 378 S C 2.780 177.390 174.600 0.017 0.000 1.043 378 S CA 1.396 59.605 58.200 0.017 0.000 1.038 378 S CB -0.501 62.711 63.200 0.021 0.000 0.872 378 S HN 0.618 nan 8.310 nan 0.000 0.456 379 A N 1.647 124.479 122.820 0.021 0.000 1.873 379 A HA 0.021 4.342 4.320 0.001 0.000 0.218 379 A C 2.297 179.899 177.584 0.030 0.000 1.193 379 A CA 1.883 53.938 52.037 0.030 0.000 0.629 379 A CB -1.105 17.921 19.000 0.044 0.000 0.826 379 A HN 0.603 nan 8.150 nan 0.000 0.447 380 A N -1.257 121.571 122.820 0.012 0.000 2.235 380 A HA 0.131 4.452 4.320 0.001 0.000 0.208 380 A C 1.213 178.776 177.584 -0.035 0.000 1.172 380 A CA 0.394 52.419 52.037 -0.021 0.000 0.786 380 A CB -0.386 18.575 19.000 -0.067 0.000 0.804 380 A HN 0.673 nan 8.150 nan 0.000 0.479 381 Q N 0.312 120.104 119.800 -0.014 0.000 2.361 381 Q HA 0.264 4.605 4.340 0.001 0.000 0.276 381 Q C -0.639 175.354 176.000 -0.011 0.000 1.022 381 Q CA -0.181 55.614 55.803 -0.012 0.000 0.898 381 Q CB 0.666 29.407 28.738 0.005 0.000 1.246 381 Q HN 0.220 nan 8.270 nan 0.000 0.410 382 V N 5.577 125.483 119.914 -0.013 0.000 2.485 382 V HA -0.081 4.040 4.120 0.001 0.000 0.287 382 V C 1.339 177.438 176.094 0.009 0.000 1.022 382 V CA 0.343 62.639 62.300 -0.006 0.000 1.067 382 V CB 0.805 32.629 31.823 0.000 0.000 0.967 382 V HN 0.888 nan 8.190 nan 0.000 0.479 383 K N 3.881 124.287 120.400 0.010 0.000 2.059 383 K HA -0.294 4.027 4.320 0.001 0.000 0.212 383 K C 2.209 178.823 176.600 0.023 0.000 1.050 383 K CA 1.801 58.098 56.287 0.016 0.000 0.927 383 K CB -0.320 32.188 32.500 0.013 0.000 0.714 383 K HN 0.849 nan 8.250 nan 0.000 0.447 384 A N 1.532 124.365 122.820 0.022 0.000 1.896 384 A HA -0.241 4.080 4.320 0.001 0.000 0.220 384 A C 2.196 179.805 177.584 0.042 0.000 1.206 384 A CA 1.760 53.813 52.037 0.028 0.000 0.647 384 A CB -0.881 18.133 19.000 0.022 0.000 0.828 384 A HN 0.250 nan 8.150 nan 0.000 0.455 385 L N -1.110 120.137 121.223 0.040 0.000 2.017 385 L HA -0.216 4.125 4.340 0.001 0.000 0.208 385 L C 2.673 179.571 176.870 0.047 0.000 1.073 385 L CA 2.038 56.906 54.840 0.047 0.000 0.745 385 L CB -0.350 41.733 42.059 0.040 0.000 0.894 385 L HN 0.471 nan 8.230 nan 0.000 0.432 386 K N -0.425 119.997 120.400 0.037 0.000 2.103 386 K HA -0.248 4.072 4.320 0.001 0.000 0.207 386 K C 2.127 178.752 176.600 0.041 0.000 1.048 386 K CA 1.584 57.893 56.287 0.035 0.000 0.930 386 K CB 0.044 32.560 32.500 0.027 0.000 0.716 386 K HN 0.387 nan 8.250 nan 0.000 0.444 387 Q N -0.337 119.490 119.800 0.046 0.000 2.083 387 Q HA -0.084 4.257 4.340 0.001 0.000 0.198 387 Q C 1.917 177.959 176.000 0.071 0.000 0.969 387 Q CA 1.492 57.327 55.803 0.053 0.000 0.838 387 Q CB 0.175 28.945 28.738 0.053 0.000 0.900 387 Q HN 0.342 nan 8.270 nan 0.000 0.436 388 V N -2.698 117.268 119.914 0.087 0.000 3.573 388 V HA 0.298 4.418 4.120 0.001 0.000 0.270 388 V C 1.265 177.397 176.094 0.064 0.000 1.221 388 V CA 0.932 63.294 62.300 0.103 0.000 1.163 388 V CB -0.191 31.727 31.823 0.158 0.000 0.847 388 V HN 0.190 nan 8.190 nan 0.000 0.468 389 A N 0.601 123.454 122.820 0.055 0.000 2.423 389 A HA 0.584 4.905 4.320 0.001 0.000 0.246 389 A C 1.490 179.099 177.584 0.042 0.000 1.278 389 A CA 0.349 52.415 52.037 0.049 0.000 0.903 389 A CB -0.792 18.238 19.000 0.051 0.000 0.997 389 A HN 0.873 nan 8.150 nan 0.000 0.510 390 G N -0.190 108.630 108.800 0.033 0.000 2.147 390 G HA2 0.272 4.233 3.960 0.001 0.000 0.269 390 G HA3 0.272 4.233 3.960 0.001 0.000 0.269 390 G C 0.850 175.768 174.900 0.030 0.000 0.912 390 G CA 0.725 45.841 45.100 0.026 0.000 1.057 390 G HN 0.819 nan 8.290 nan 0.000 0.364 391 S N 0.794 116.522 115.700 0.048 0.000 2.884 391 S HA -0.285 4.186 4.470 0.001 0.000 0.274 391 S C 1.869 176.539 174.600 0.116 0.000 1.308 391 S CA 1.097 59.341 58.200 0.074 0.000 1.340 391 S CB -1.017 62.226 63.200 0.072 0.000 1.657 391 S HN 0.893 nan 8.310 nan 0.000 0.699 392 L N 1.837 123.119 121.223 0.098 0.000 2.103 392 L HA -0.181 4.159 4.340 0.001 0.000 0.215 392 L C 2.075 179.047 176.870 0.170 0.000 1.080 392 L CA 2.964 57.890 54.840 0.144 0.000 0.764 392 L CB -0.732 41.384 42.059 0.094 0.000 0.890 392 L HN 0.435 nan 8.230 nan 0.000 0.435 393 K N -0.676 119.793 120.400 0.115 0.000 2.015 393 K HA -0.221 4.100 4.320 0.001 0.000 0.216 393 K C 2.058 178.715 176.600 0.095 0.000 1.052 393 K CA 2.312 58.655 56.287 0.094 0.000 0.937 393 K CB -0.603 31.938 32.500 0.069 0.000 0.719 393 K HN 0.384 nan 8.250 nan 0.000 0.446 394 L N -0.483 120.801 121.223 0.101 0.000 1.961 394 L HA -0.129 4.212 4.340 0.001 0.000 0.210 394 L C 2.290 179.227 176.870 0.110 0.000 1.072 394 L CA 1.665 56.560 54.840 0.091 0.000 0.749 394 L CB -0.577 41.536 42.059 0.090 0.000 0.889 394 L HN 0.261 nan 8.230 nan 0.000 0.432 395 F N 0.143 120.116 119.950 0.038 0.000 2.025 395 F HA -0.315 4.212 4.527 -0.000 0.000 0.297 395 F C 2.256 178.109 175.800 0.089 0.000 1.132 395 F CA 1.740 59.769 58.000 0.049 0.000 1.191 395 F CB -0.493 38.523 39.000 0.026 0.000 0.963 395 F HN -0.106 nan 8.300 nan 0.000 0.481 396 L N 0.440 121.719 121.223 0.092 0.000 1.944 396 L HA -0.282 4.058 4.340 0.001 0.000 0.218 396 L C 2.668 179.510 176.870 -0.048 0.000 1.075 396 L CA 1.715 56.564 54.840 0.016 0.000 0.767 396 L CB -1.124 41.057 42.059 0.204 0.000 0.890 396 L HN 0.335 nan 8.230 nan 0.000 0.434 397 A N -1.495 121.326 122.820 0.003 0.000 2.285 397 A HA -0.231 4.090 4.320 0.001 0.000 0.214 397 A C 1.984 179.518 177.584 -0.083 0.000 1.188 397 A CA 1.524 53.547 52.037 -0.023 0.000 0.707 397 A CB -0.380 18.626 19.000 0.011 0.000 0.771 397 A HN 0.660 nan 8.150 nan 0.000 0.488 398 Q N -2.743 116.974 119.800 -0.139 0.000 2.423 398 Q HA 0.026 4.367 4.340 0.001 0.000 0.231 398 Q C 1.665 177.525 176.000 -0.233 0.000 0.894 398 Q CA 0.507 56.213 55.803 -0.161 0.000 0.938 398 Q CB -0.064 28.605 28.738 -0.115 0.000 1.079 398 Q HN 0.853 nan 8.270 nan 0.000 0.552 399 Y N 1.548 121.536 120.300 -0.521 0.000 2.283 399 Y HA -0.214 4.335 4.550 -0.001 0.000 0.285 399 Y C 1.711 177.476 175.900 -0.226 0.000 1.176 399 Y CA 1.397 59.216 58.100 -0.468 0.000 1.229 399 Y CB -0.064 38.005 38.460 -0.651 0.000 0.975 399 Y HN -0.098 nan 8.280 nan 0.000 0.537 400 R N 0.491 120.675 120.500 -0.527 0.000 2.193 400 R HA -0.129 4.212 4.340 0.001 0.000 0.229 400 R C 1.892 178.015 176.300 -0.294 0.000 1.110 400 R CA 1.242 57.058 56.100 -0.474 0.000 0.988 400 R CB -0.097 30.047 30.300 -0.261 0.000 0.871 400 R HN 0.558 nan 8.270 nan 0.000 0.458 401 E N 0.112 120.184 120.200 -0.214 0.000 2.028 401 E HA -0.123 4.228 4.350 0.001 0.000 0.191 401 E C 2.165 178.690 176.600 -0.125 0.000 0.988 401 E CA 1.104 57.424 56.400 -0.134 0.000 0.799 401 E CB -0.234 29.410 29.700 -0.092 0.000 0.755 401 E HN 0.093 nan 8.360 nan 0.000 0.447 402 V N 1.997 121.836 119.914 -0.126 0.000 2.261 402 V HA -0.240 3.880 4.120 0.001 0.000 0.246 402 V C 2.558 178.587 176.094 -0.108 0.000 1.047 402 V CA 1.844 64.099 62.300 -0.075 0.000 1.015 402 V CB -1.082 30.738 31.823 -0.005 0.000 0.642 402 V HN 0.242 nan 8.190 nan 0.000 0.446 403 A N 0.312 122.991 122.820 -0.236 0.000 1.903 403 A HA -0.252 4.069 4.320 0.001 0.000 0.219 403 A C 2.419 179.910 177.584 -0.154 0.000 1.191 403 A CA 2.712 54.596 52.037 -0.254 0.000 0.638 403 A CB -0.975 17.653 19.000 -0.620 0.000 0.823 403 A HN 0.630 nan 8.150 nan 0.000 0.451 404 A N -0.997 121.727 122.820 -0.160 0.000 1.930 404 A HA -0.017 4.304 4.320 0.001 0.000 0.217 404 A C 2.420 179.967 177.584 -0.062 0.000 1.175 404 A CA 2.027 54.006 52.037 -0.097 0.000 0.627 404 A CB -0.693 18.251 19.000 -0.093 0.000 0.815 404 A HN 0.483 nan 8.150 nan 0.000 0.443 405 S N -0.087 115.577 115.700 -0.061 0.000 2.395 405 S HA 0.101 4.571 4.470 0.001 0.000 0.225 405 S C 2.310 176.895 174.600 -0.025 0.000 1.027 405 S CA 0.841 59.019 58.200 -0.037 0.000 0.965 405 S CB -0.463 62.717 63.200 -0.034 0.000 0.812 405 S HN 0.791 nan 8.310 nan 0.000 0.482 406 A N 2.046 124.851 122.820 -0.026 0.000 1.881 406 A HA -0.173 4.148 4.320 0.001 0.000 0.219 406 A C 1.513 179.094 177.584 -0.004 0.000 1.215 406 A CA 1.356 53.388 52.037 -0.008 0.000 0.648 406 A CB -0.592 18.409 19.000 0.001 0.000 0.832 406 A HN 0.389 nan 8.150 nan 0.000 0.455 411 D N 0.422 120.823 120.400 0.002 0.000 2.803 411 D HA 0.419 5.060 4.640 0.001 0.000 0.218 411 D C -1.377 174.926 176.300 0.005 0.000 1.245 411 D CA -0.307 53.695 54.000 0.003 0.000 0.821 411 D CB 1.644 42.445 40.800 0.003 0.000 1.626 411 D HN 0.165 nan 8.370 nan 0.000 0.487 412 L N 3.182 124.408 121.223 0.005 0.000 2.423 412 L HA 0.188 4.529 4.340 0.001 0.000 0.249 412 L C 0.765 177.639 176.870 0.007 0.000 1.276 412 L CA -0.416 54.428 54.840 0.006 0.000 1.199 412 L CB -0.057 42.004 42.059 0.005 0.000 1.407 412 L HN 0.231 nan 8.230 nan 0.000 0.410 413 D N 0.490 120.895 120.400 0.009 0.000 2.363 413 D HA 0.160 4.801 4.640 0.001 0.000 0.240 413 D C 0.691 176.997 176.300 0.009 0.000 1.236 413 D CA 0.487 54.493 54.000 0.009 0.000 0.927 413 D CB 1.546 42.353 40.800 0.012 0.000 1.150 413 D HN 0.375 nan 8.370 nan 0.000 0.458 414 A N 1.077 123.901 122.820 0.008 0.000 1.896 414 A HA -0.047 4.273 4.320 0.001 0.000 0.213 414 A C 2.101 179.690 177.584 0.010 0.000 1.306 414 A CA 1.245 53.285 52.037 0.006 0.000 0.626 414 A CB -0.982 18.019 19.000 0.003 0.000 0.994 414 A HN 0.522 nan 8.150 nan 0.000 0.475 415 S N 0.174 115.881 115.700 0.012 0.000 2.359 415 S HA -0.176 4.295 4.470 0.001 0.000 0.223 415 S C 1.827 176.444 174.600 0.028 0.000 1.039 415 S CA 2.588 60.798 58.200 0.017 0.000 1.042 415 S CB -0.808 62.403 63.200 0.017 0.000 0.915 415 S HN 0.827 nan 8.310 nan 0.000 0.439 416 T N -1.563 113.009 114.554 0.030 0.000 3.366 416 T HA 0.344 4.694 4.350 0.001 0.000 0.249 416 T C 0.998 175.726 174.700 0.046 0.000 1.028 416 T CA -0.037 62.089 62.100 0.044 0.000 0.938 416 T CB -0.039 68.850 68.868 0.036 0.000 1.046 416 T HN 0.345 nan 8.240 nan 0.000 0.587 417 K N -0.012 120.409 120.400 0.034 0.000 2.334 417 K HA 0.177 4.497 4.320 0.001 0.000 0.195 417 K C 2.288 178.906 176.600 0.030 0.000 1.045 417 K CA 0.067 56.373 56.287 0.031 0.000 1.004 417 K CB 0.166 32.675 32.500 0.016 0.000 0.837 417 K HN 0.367 nan 8.250 nan 0.000 0.510 418 Q N 0.099 119.917 119.800 0.029 0.000 2.020 418 Q HA -0.113 4.227 4.340 0.001 0.000 0.198 418 Q C 1.650 177.680 176.000 0.049 0.000 0.974 418 Q CA 2.241 58.055 55.803 0.019 0.000 0.829 418 Q CB 0.133 28.877 28.738 0.009 0.000 0.894 418 Q HN 0.327 nan 8.270 nan 0.000 0.433 419 T N -0.521 114.100 114.554 0.111 0.000 2.929 419 T HA -0.146 4.204 4.350 0.001 0.000 0.271 419 T C 1.637 176.426 174.700 0.149 0.000 1.085 419 T CA 0.852 63.084 62.100 0.220 0.000 1.125 419 T CB -0.186 68.839 68.868 0.262 0.000 0.874 419 T HN 0.181 nan 8.240 nan 0.000 0.494 420 L N 0.668 121.963 121.223 0.120 0.000 2.291 420 L HA 0.161 4.502 4.340 0.001 0.000 0.214 420 L C 2.343 179.212 176.870 -0.001 0.000 1.120 420 L CA 0.839 55.757 54.840 0.129 0.000 0.799 420 L CB -0.077 42.059 42.059 0.128 0.000 0.925 420 L HN 0.146 nan 8.230 nan 0.000 0.446 421 V N -1.494 118.406 119.914 -0.023 0.000 2.685 421 V HA -0.010 4.111 4.120 0.001 0.000 0.244 421 V C 2.563 178.594 176.094 -0.105 0.000 1.054 421 V CA 0.707 62.972 62.300 -0.058 0.000 1.076 421 V CB -0.473 31.323 31.823 -0.044 0.000 0.725 421 V HN 0.284 nan 8.190 nan 0.000 0.467 422 R N 0.911 121.359 120.500 -0.087 0.000 2.062 422 R HA -0.069 4.272 4.340 0.001 0.000 0.231 422 R C 2.470 178.689 176.300 -0.135 0.000 1.136 422 R CA 1.604 57.641 56.100 -0.105 0.000 0.948 422 R CB -1.276 28.964 30.300 -0.100 0.000 0.845 422 R HN 0.536 nan 8.270 nan 0.000 0.430 423 G N 1.265 109.906 108.800 -0.265 0.000 2.553 423 G HA2 -0.316 3.644 3.960 0.001 0.000 0.218 423 G HA3 -0.316 3.644 3.960 0.001 0.000 0.218 423 G C 1.345 175.760 174.900 -0.808 0.000 1.195 423 G CA 0.939 45.405 45.100 -1.056 0.000 0.779 423 G HN 0.388 nan 8.290 nan 0.000 0.577 424 E N -0.315 119.559 120.200 -0.544 0.000 2.130 424 E HA -0.158 4.193 4.350 0.001 0.000 0.196 424 E C 2.885 179.414 176.600 -0.119 0.000 0.998 424 E CA 0.655 56.944 56.400 -0.185 0.000 0.806 424 E CB 0.041 29.699 29.700 -0.070 0.000 0.738 424 E HN 0.138 nan 8.360 nan 0.000 0.459 425 R N 0.285 120.704 120.500 -0.136 0.000 2.061 425 R HA -0.073 4.268 4.340 0.001 0.000 0.230 425 R C 2.483 178.742 176.300 -0.068 0.000 1.140 425 R CA 0.901 56.939 56.100 -0.103 0.000 0.940 425 R CB -1.070 29.153 30.300 -0.129 0.000 0.839 425 R HN 0.249 nan 8.270 nan 0.000 0.429 426 L N 0.591 121.777 121.223 -0.061 0.000 2.127 426 L HA -0.170 4.171 4.340 0.001 0.000 0.211 426 L C 2.265 179.150 176.870 0.025 0.000 1.089 426 L CA 1.576 56.414 54.840 -0.003 0.000 0.757 426 L CB -0.895 41.190 42.059 0.044 0.000 0.899 426 L HN 0.205 nan 8.230 nan 0.000 0.434 427 T N -1.148 113.414 114.554 0.014 0.000 2.759 427 T HA -0.194 4.157 4.350 0.001 0.000 0.269 427 T C 1.941 176.661 174.700 0.033 0.000 1.042 427 T CA 1.131 63.262 62.100 0.051 0.000 1.140 427 T CB -0.106 68.814 68.868 0.086 0.000 0.864 427 T HN 0.324 nan 8.240 nan 0.000 0.455 428 Q N 0.186 119.993 119.800 0.013 0.000 2.137 428 Q HA 0.140 4.480 4.340 0.001 0.000 0.198 428 Q C 2.392 178.411 176.000 0.031 0.000 0.960 428 Q CA 0.598 56.409 55.803 0.014 0.000 0.847 428 Q CB -0.603 28.136 28.738 0.002 0.000 0.915 428 Q HN 0.370 nan 8.270 nan 0.000 0.448 429 L N 0.799 122.041 121.223 0.032 0.000 2.079 429 L HA -0.138 4.203 4.340 0.001 0.000 0.210 429 L C 2.053 178.960 176.870 0.061 0.000 1.081 429 L CA 1.393 56.268 54.840 0.059 0.000 0.752 429 L CB -0.482 41.609 42.059 0.053 0.000 0.896 429 L HN 0.154 nan 8.230 nan 0.000 0.433 430 L N -0.960 120.293 121.223 0.051 0.000 2.291 430 L HA -0.109 4.231 4.340 0.001 0.000 0.214 430 L C 1.225 178.116 176.870 0.036 0.000 1.120 430 L CA 0.355 55.224 54.840 0.050 0.000 0.799 430 L CB -0.587 41.506 42.059 0.056 0.000 0.925 430 L HN 0.210 nan 8.230 nan 0.000 0.446 431 K N 0.983 121.399 120.400 0.027 0.000 2.397 431 K HA 0.048 4.369 4.320 0.001 0.000 0.265 431 K C 0.044 176.650 176.600 0.012 0.000 0.982 431 K CA 0.632 56.924 56.287 0.008 0.000 0.931 431 K CB 0.389 32.889 32.500 -0.000 0.000 0.943 431 K HN 0.031 nan 8.250 nan 0.000 0.501 432 Q N 1.491 121.287 119.800 -0.007 0.000 2.443 432 Q HA 0.117 4.457 4.340 0.001 0.000 0.258 432 Q C -1.508 174.475 176.000 -0.028 0.000 0.967 432 Q CA -0.671 55.130 55.803 -0.005 0.000 0.951 432 Q CB 1.174 29.912 28.738 0.001 0.000 1.459 432 Q HN 0.502 nan 8.270 nan 0.000 0.415 433 N N 2.224 120.913 118.700 -0.018 0.000 2.453 433 N HA 0.033 4.773 4.740 0.001 0.000 0.253 433 N C -0.563 174.909 175.510 -0.063 0.000 1.252 433 N CA 0.108 53.141 53.050 -0.030 0.000 0.917 433 N CB 0.818 39.309 38.487 0.006 0.000 1.117 433 N HN 0.583 nan 8.380 nan 0.000 0.442 434 Q N 0.433 120.159 119.800 -0.124 0.000 2.417 434 Q HA 0.004 4.345 4.340 0.001 0.000 0.241 434 Q C -0.387 175.484 176.000 -0.215 0.000 1.008 434 Q CA -0.156 55.459 55.803 -0.314 0.000 0.901 434 Q CB 0.271 28.666 28.738 -0.573 0.000 1.259 434 Q HN 0.575 nan 8.270 nan 0.000 0.489 435 Y N -0.475 119.810 120.300 -0.025 0.000 4.409 435 Y HA -0.253 4.298 4.550 0.002 0.000 0.228 435 Y C -0.146 175.753 175.900 -0.002 0.000 1.108 435 Y CA 0.953 59.021 58.100 -0.053 0.000 1.955 435 Y CB -2.214 36.242 38.460 -0.005 0.000 1.615 435 Y HN 0.386 nan 8.280 nan 0.000 0.665 436 S N -0.350 115.396 115.700 0.076 0.000 2.272 436 S HA 0.361 4.832 4.470 0.001 0.000 0.207 436 S C -2.489 172.129 174.600 0.030 0.000 1.336 436 S CA -0.964 57.275 58.200 0.065 0.000 1.259 436 S CB 0.931 64.164 63.200 0.056 0.000 1.130 436 S HN 0.007 nan 8.310 nan 0.000 0.444 437 P HA 0.343 nan 4.420 nan 0.000 0.271 437 P C -0.751 176.554 177.300 0.008 0.000 1.216 437 P CA -0.333 62.776 63.100 0.016 0.000 0.776 437 P CB 0.619 32.330 31.700 0.018 0.000 0.881 438 L N 1.558 122.788 121.223 0.011 0.000 2.346 438 L HA 0.651 4.992 4.340 0.001 0.000 0.274 438 L C 0.547 177.419 176.870 0.004 0.000 1.007 438 L CA -1.153 53.687 54.840 0.000 0.000 0.818 438 L CB 1.714 43.778 42.059 0.008 0.000 1.284 438 L HN 0.349 nan 8.230 nan 0.000 0.424 439 A N 1.595 124.402 122.820 -0.022 0.000 2.445 439 A HA 0.247 4.568 4.320 0.001 0.000 0.242 439 A C 1.267 178.863 177.584 0.021 0.000 1.075 439 A CA 0.045 52.076 52.037 -0.011 0.000 0.777 439 A CB 0.256 19.222 19.000 -0.056 0.000 1.013 439 A HN 0.893 nan 8.150 nan 0.000 0.493 440 T N 1.022 115.612 114.554 0.059 0.000 2.624 440 T HA -0.209 4.141 4.350 0.001 0.000 0.268 440 T C 1.829 176.545 174.700 0.025 0.000 1.041 440 T CA 2.047 64.180 62.100 0.055 0.000 1.159 440 T CB -0.260 68.653 68.868 0.074 0.000 0.863 440 T HN 0.912 nan 8.240 nan 0.000 0.434 441 E N 1.633 121.838 120.200 0.008 0.000 2.338 441 E HA -0.174 4.177 4.350 0.001 0.000 0.197 441 E C 1.546 178.118 176.600 -0.046 0.000 1.007 441 E CA 1.127 57.514 56.400 -0.020 0.000 0.849 441 E CB -0.293 29.388 29.700 -0.031 0.000 0.774 441 E HN 0.619 nan 8.360 nan 0.000 0.506 442 E N 0.400 120.575 120.200 -0.042 0.000 2.299 442 E HA -0.043 4.307 4.350 0.001 0.000 0.193 442 E C 2.090 178.677 176.600 -0.020 0.000 0.998 442 E CA 0.378 56.743 56.400 -0.059 0.000 0.851 442 E CB 0.117 29.783 29.700 -0.057 0.000 0.795 442 E HN 0.392 nan 8.360 nan 0.000 0.492 443 Q N 0.349 120.156 119.800 0.012 0.000 2.061 443 Q HA -0.084 4.257 4.340 0.001 0.000 0.195 443 Q C 2.608 178.650 176.000 0.071 0.000 0.967 443 Q CA 1.369 57.199 55.803 0.046 0.000 0.829 443 Q CB 0.019 28.786 28.738 0.049 0.000 0.900 443 Q HN 0.265 nan 8.270 nan 0.000 0.450 444 V N -0.720 119.229 119.914 0.059 0.000 2.469 444 V HA -0.119 4.002 4.120 0.001 0.000 0.251 444 V C -1.065 175.111 176.094 0.136 0.000 1.064 444 V CA 1.209 63.561 62.300 0.086 0.000 1.066 444 V CB -1.872 29.986 31.823 0.058 0.000 0.667 444 V HN 0.180 nan 8.190 nan 0.000 0.461 445 P HA -0.023 nan 4.420 nan 0.000 0.216 445 P C 2.087 179.608 177.300 0.368 0.000 1.153 445 P CA 1.414 64.635 63.100 0.201 0.000 0.844 445 P CB -0.150 31.572 31.700 0.036 0.000 0.787 446 L N -1.298 120.106 121.223 0.301 0.000 2.079 446 L HA -0.166 4.175 4.340 0.001 0.000 0.210 446 L C 2.453 179.475 176.870 0.254 0.000 1.081 446 L CA 1.439 56.486 54.840 0.344 0.000 0.752 446 L CB -0.899 41.313 42.059 0.254 0.000 0.896 446 L HN -0.075 nan 8.230 nan 0.000 0.433 447 I N -1.850 118.840 120.570 0.201 0.000 2.277 447 I HA -0.273 3.898 4.170 0.001 0.000 0.243 447 I C 2.570 178.776 176.117 0.148 0.000 1.094 447 I CA 1.032 62.417 61.300 0.142 0.000 1.393 447 I CB -0.436 37.632 38.000 0.113 0.000 1.078 447 I HN 0.093 nan 8.210 nan 0.000 0.417 448 Y N 2.249 122.608 120.300 0.099 0.000 2.069 448 Y HA -0.379 4.172 4.550 0.003 0.000 0.278 448 Y C 2.586 178.569 175.900 0.139 0.000 1.175 448 Y CA 1.874 60.036 58.100 0.103 0.000 1.134 448 Y CB -0.354 38.173 38.460 0.112 0.000 0.965 448 Y HN 0.136 nan 8.280 nan 0.000 0.498 449 A N -0.345 122.669 122.820 0.324 0.000 2.070 449 A HA -0.068 4.253 4.320 0.001 0.000 0.220 449 A C 2.333 179.949 177.584 0.053 0.000 1.159 449 A CA 1.645 53.826 52.037 0.241 0.000 0.656 449 A CB -1.480 17.684 19.000 0.273 0.000 0.800 449 A HN 0.641 nan 8.150 nan 0.000 0.453 450 G N -0.881 107.923 108.800 0.006 0.000 2.447 450 G HA2 0.053 4.014 3.960 0.001 0.000 0.211 450 G HA3 0.053 4.014 3.960 0.001 0.000 0.211 450 G C 1.418 176.218 174.900 -0.166 0.000 1.184 450 G CA 0.884 45.935 45.100 -0.082 0.000 0.813 450 G HN 0.251 nan 8.290 nan 0.000 0.540 451 V N 2.056 121.868 119.914 -0.170 0.000 2.392 451 V HA -0.171 3.950 4.120 0.001 0.000 0.249 451 V C 1.947 177.847 176.094 -0.323 0.000 1.059 451 V CA 1.651 63.803 62.300 -0.247 0.000 1.051 451 V CB -0.397 31.315 31.823 -0.186 0.000 0.658 451 V HN 0.370 nan 8.190 nan 0.000 0.455 452 N N -0.028 118.447 118.700 -0.376 0.000 2.314 452 N HA 0.137 4.878 4.740 0.001 0.000 0.200 452 N C 1.437 176.617 175.510 -0.549 0.000 1.135 452 N CA 0.919 53.694 53.050 -0.457 0.000 0.835 452 N CB 0.959 39.108 38.487 -0.563 0.000 0.989 452 N HN 0.602 nan 8.380 nan 0.000 0.478 453 G N 1.171 109.725 108.800 -0.411 0.000 2.147 453 G HA2 -0.266 3.695 3.960 0.001 0.000 0.244 453 G HA3 -0.266 3.695 3.960 0.001 0.000 0.244 453 G C 0.520 175.201 174.900 -0.365 0.000 1.005 453 G CA -0.012 44.872 45.100 -0.360 0.000 0.713 453 G HN 0.518 nan 8.290 nan 0.000 0.515 454 H N -0.583 118.378 119.070 -0.181 0.000 2.556 454 H HA 0.202 4.760 4.556 0.003 0.000 0.268 454 H C 2.426 177.607 175.328 -0.245 0.000 0.996 454 H CA 1.099 57.046 56.048 -0.168 0.000 1.157 454 H CB 0.242 29.933 29.762 -0.118 0.000 1.355 454 H HN 0.515 nan 8.280 nan 0.000 0.597 455 L N -0.534 120.568 121.223 -0.202 0.000 2.513 455 L HA 0.031 4.371 4.340 0.001 0.000 0.222 455 L C 1.613 178.356 176.870 -0.213 0.000 1.096 455 L CA 0.092 54.753 54.840 -0.299 0.000 0.857 455 L CB 0.115 41.975 42.059 -0.332 0.000 1.026 455 L HN -0.040 nan 8.230 nan 0.000 0.469 456 D N 1.015 121.309 120.400 -0.177 0.000 2.191 456 D HA -0.226 4.415 4.640 0.001 0.000 0.195 456 D C 2.127 178.358 176.300 -0.116 0.000 1.003 456 D CA 1.803 55.718 54.000 -0.142 0.000 0.867 456 D CB -0.131 40.586 40.800 -0.140 0.000 0.926 456 D HN 0.375 nan 8.370 nan 0.000 0.450 457 G N -0.465 108.266 108.800 -0.114 0.000 2.494 457 G HA2 0.035 3.995 3.960 0.001 0.000 0.216 457 G HA3 0.035 3.995 3.960 0.001 0.000 0.216 457 G C 0.692 175.536 174.900 -0.093 0.000 1.140 457 G CA -0.219 44.827 45.100 -0.090 0.000 0.801 457 G HN 0.199 nan 8.290 nan 0.000 0.536 458 I N 1.478 121.973 120.570 -0.126 0.000 2.575 458 I HA 0.124 4.295 4.170 0.001 0.000 0.285 458 I C 0.206 176.266 176.117 -0.094 0.000 1.085 458 I CA -0.472 60.757 61.300 -0.118 0.000 1.403 458 I CB 1.055 38.943 38.000 -0.187 0.000 1.409 458 I HN 0.182 nan 8.210 nan 0.000 0.557 459 E N 3.764 123.928 120.200 -0.060 0.000 2.425 459 E HA -0.029 4.322 4.350 0.001 0.000 0.258 459 E C 0.582 177.158 176.600 -0.040 0.000 1.151 459 E CA -0.598 55.776 56.400 -0.043 0.000 0.958 459 E CB 0.550 30.235 29.700 -0.025 0.000 0.968 459 E HN 0.378 nan 8.360 nan 0.000 0.451 460 L N 1.372 122.576 121.223 -0.031 0.000 1.994 460 L HA -0.187 4.154 4.340 0.001 0.000 0.208 460 L C 2.221 179.087 176.870 -0.007 0.000 1.071 460 L CA 2.051 56.878 54.840 -0.023 0.000 0.745 460 L CB -1.371 40.677 42.059 -0.018 0.000 0.892 460 L HN 0.645 nan 8.230 nan 0.000 0.431 461 S N -0.899 114.799 115.700 -0.004 0.000 2.500 461 S HA -0.131 4.340 4.470 0.001 0.000 0.239 461 S C 1.726 176.339 174.600 0.022 0.000 0.989 461 S CA 0.730 58.933 58.200 0.006 0.000 0.951 461 S CB -0.353 62.848 63.200 0.002 0.000 0.759 461 S HN 0.466 nan 8.310 nan 0.000 0.523 462 R N -0.157 120.359 120.500 0.027 0.000 2.335 462 R HA 0.376 4.717 4.340 0.001 0.000 0.210 462 R C 1.378 177.744 176.300 0.110 0.000 0.892 462 R CA -0.133 56.004 56.100 0.061 0.000 1.048 462 R CB -0.058 30.274 30.300 0.052 0.000 1.067 462 R HN 0.361 nan 8.270 nan 0.000 0.524 463 I N 1.044 121.655 120.570 0.068 0.000 2.335 463 I HA -0.176 3.995 4.170 0.001 0.000 0.251 463 I C 2.264 178.487 176.117 0.176 0.000 1.129 463 I CA 1.671 63.026 61.300 0.092 0.000 1.402 463 I CB -1.123 36.882 38.000 0.007 0.000 1.069 463 I HN 0.234 nan 8.210 nan 0.000 0.424 464 G N 0.768 109.639 108.800 0.119 0.000 2.453 464 G HA2 -0.284 3.677 3.960 0.001 0.000 0.215 464 G HA3 -0.284 3.677 3.960 0.001 0.000 0.215 464 G C 1.566 176.550 174.900 0.139 0.000 1.201 464 G CA 0.795 45.962 45.100 0.111 0.000 0.784 464 G HN 0.495 nan 8.290 nan 0.000 0.545 465 E N -0.205 120.076 120.200 0.135 0.000 2.110 465 E HA -0.182 4.169 4.350 0.001 0.000 0.193 465 E C 2.143 178.863 176.600 0.200 0.000 0.988 465 E CA 0.970 57.452 56.400 0.137 0.000 0.804 465 E CB -0.335 29.431 29.700 0.110 0.000 0.745 465 E HN 0.384 nan 8.360 nan 0.000 0.458 466 F N 2.309 122.335 119.950 0.126 0.000 2.091 466 F HA -0.250 4.279 4.527 0.003 0.000 0.299 466 F C 2.316 178.260 175.800 0.239 0.000 1.103 466 F CA 2.385 60.509 58.000 0.207 0.000 1.228 466 F CB -0.324 38.760 39.000 0.139 0.000 0.984 466 F HN 0.084 nan 8.300 nan 0.000 0.477 467 E N 0.084 120.454 120.200 0.283 0.000 2.072 467 E HA -0.196 4.154 4.350 0.001 0.000 0.191 467 E C 2.156 178.770 176.600 0.023 0.000 0.985 467 E CA 1.641 58.149 56.400 0.181 0.000 0.801 467 E CB -0.200 29.650 29.700 0.250 0.000 0.750 467 E HN 0.584 nan 8.360 nan 0.000 0.452 468 S N 0.289 116.012 115.700 0.038 0.000 2.368 468 S HA -0.074 4.396 4.470 0.001 0.000 0.224 468 S C 2.231 176.813 174.600 -0.031 0.000 1.029 468 S CA 1.183 59.386 58.200 0.005 0.000 0.988 468 S CB -0.190 63.028 63.200 0.030 0.000 0.838 468 S HN 0.103 nan 8.310 nan 0.000 0.462 469 S N 1.201 116.902 115.700 0.002 0.000 2.423 469 S HA 0.106 4.576 4.470 0.001 0.000 0.231 469 S C 1.339 175.822 174.600 -0.195 0.000 1.014 469 S CA 0.716 58.945 58.200 0.049 0.000 0.965 469 S CB -0.415 62.943 63.200 0.263 0.000 0.785 469 S HN 0.541 nan 8.310 nan 0.000 0.495 470 F N 2.164 121.684 119.950 -0.717 0.000 2.234 470 F HA 0.191 4.719 4.527 0.002 0.000 0.296 470 F C 1.589 177.044 175.800 -0.575 0.000 1.089 470 F CA 0.565 57.820 58.000 -1.241 0.000 1.343 470 F CB -0.562 37.617 39.000 -1.368 0.000 1.040 470 F HN 0.080 nan 8.300 nan 0.000 0.498 471 L N -0.524 120.436 121.223 -0.438 0.000 2.093 471 L HA -0.204 4.137 4.340 0.001 0.000 0.208 471 L C 2.496 179.199 176.870 -0.279 0.000 1.085 471 L CA 1.356 55.963 54.840 -0.389 0.000 0.755 471 L CB -0.890 41.038 42.059 -0.218 0.000 0.904 471 L HN 0.040 nan 8.230 nan 0.000 0.435 472 S N -0.680 114.912 115.700 -0.179 0.000 2.353 472 S HA -0.292 4.179 4.470 0.001 0.000 0.222 472 S C 1.870 176.416 174.600 -0.089 0.000 1.035 472 S CA 1.631 59.772 58.200 -0.099 0.000 1.025 472 S CB -0.737 62.448 63.200 -0.026 0.000 0.902 472 S HN 0.400 nan 8.310 nan 0.000 0.440 473 Y N 2.437 122.606 120.300 -0.219 0.000 2.081 473 Y HA -0.190 4.361 4.550 0.001 0.000 0.280 473 Y C 2.012 177.820 175.900 -0.154 0.000 1.163 473 Y CA 1.359 59.368 58.100 -0.153 0.000 1.135 473 Y CB -0.656 37.681 38.460 -0.205 0.000 0.970 473 Y HN 0.139 nan 8.280 nan 0.000 0.498 474 L N -0.015 120.982 121.223 -0.377 0.000 2.046 474 L HA -0.248 4.092 4.340 0.001 0.000 0.208 474 L C 2.533 179.228 176.870 -0.292 0.000 1.077 474 L CA 1.691 56.292 54.840 -0.398 0.000 0.747 474 L CB -0.497 41.254 42.059 -0.514 0.000 0.896 474 L HN 0.201 nan 8.230 nan 0.000 0.432 475 K N -0.197 120.054 120.400 -0.248 0.000 2.001 475 K HA -0.137 4.184 4.320 0.001 0.000 0.208 475 K C 2.362 178.853 176.600 -0.181 0.000 1.048 475 K CA 1.797 57.973 56.287 -0.185 0.000 0.932 475 K CB -0.301 32.111 32.500 -0.148 0.000 0.715 475 K HN 0.378 nan 8.250 nan 0.000 0.437 476 S N 1.401 116.991 115.700 -0.183 0.000 2.356 476 S HA -0.136 4.334 4.470 0.001 0.000 0.223 476 S C 1.596 176.048 174.600 -0.247 0.000 1.032 476 S CA 1.686 59.783 58.200 -0.171 0.000 1.005 476 S CB -0.352 62.777 63.200 -0.118 0.000 0.867 476 S HN 0.279 nan 8.310 nan 0.000 0.449 477 N N 0.151 118.611 118.700 -0.399 0.000 2.454 477 N HA 0.146 4.887 4.740 0.001 0.000 0.177 477 N C 0.361 175.402 175.510 -0.782 0.000 1.049 477 N CA 0.592 53.277 53.050 -0.609 0.000 0.887 477 N CB 0.193 38.187 38.487 -0.823 0.000 1.095 477 N HN 0.474 nan 8.380 nan 0.000 0.446 478 H N -0.819 118.052 119.070 -0.332 0.000 2.587 478 H HA 0.263 4.820 4.556 0.002 0.000 0.245 478 H C 0.262 175.471 175.328 -0.198 0.000 1.238 478 H CA -0.135 55.768 56.048 -0.241 0.000 0.963 478 H CB 0.267 29.877 29.762 -0.253 0.000 1.904 478 H HN 0.152 nan 8.280 nan 0.000 0.584 479 N N 1.216 119.842 118.700 -0.124 0.000 2.309 479 N HA -0.120 4.621 4.740 0.001 0.000 0.182 479 N C 1.646 177.109 175.510 -0.077 0.000 1.018 479 N CA 0.914 53.899 53.050 -0.108 0.000 0.876 479 N CB 0.381 38.799 38.487 -0.116 0.000 0.972 479 N HN 0.417 nan 8.380 nan 0.000 0.434 480 E N -0.063 120.097 120.200 -0.066 0.000 2.130 480 E HA -0.201 4.150 4.350 0.001 0.000 0.196 480 E C 1.749 178.324 176.600 -0.041 0.000 0.998 480 E CA 1.107 57.479 56.400 -0.048 0.000 0.806 480 E CB -0.154 29.523 29.700 -0.038 0.000 0.738 480 E HN 0.504 nan 8.360 nan 0.000 0.459 481 L N 0.368 121.568 121.223 -0.039 0.000 2.068 481 L HA -0.103 4.238 4.340 0.001 0.000 0.204 481 L C 2.584 179.417 176.870 -0.061 0.000 1.076 481 L CA 0.617 55.428 54.840 -0.047 0.000 0.753 481 L CB -0.644 41.383 42.059 -0.053 0.000 0.910 481 L HN 0.109 nan 8.230 nan 0.000 0.439 482 L N -0.033 121.146 121.223 -0.074 0.000 2.013 482 L HA -0.230 4.111 4.340 0.001 0.000 0.212 482 L C 2.735 179.572 176.870 -0.057 0.000 1.073 482 L CA 1.846 56.639 54.840 -0.078 0.000 0.753 482 L CB -1.351 40.649 42.059 -0.099 0.000 0.890 482 L HN 0.308 nan 8.230 nan 0.000 0.432 483 T N -1.050 113.471 114.554 -0.054 0.000 2.699 483 T HA -0.263 4.088 4.350 0.001 0.000 0.268 483 T C 1.813 176.495 174.700 -0.029 0.000 1.036 483 T CA 1.614 63.690 62.100 -0.041 0.000 1.147 483 T CB -0.220 68.623 68.868 -0.042 0.000 0.862 483 T HN 0.371 nan 8.240 nan 0.000 0.446 484 E N 0.313 120.494 120.200 -0.032 0.000 2.106 484 E HA -0.069 4.281 4.350 0.001 0.000 0.192 484 E C 2.209 178.797 176.600 -0.021 0.000 0.984 484 E CA 0.720 57.105 56.400 -0.025 0.000 0.806 484 E CB -0.153 29.530 29.700 -0.028 0.000 0.750 484 E HN 0.515 nan 8.360 nan 0.000 0.458 485 I N 0.581 121.135 120.570 -0.027 0.000 2.179 485 I HA -0.289 3.882 4.170 0.001 0.000 0.242 485 I C 2.880 178.995 176.117 -0.004 0.000 1.088 485 I CA 1.065 62.354 61.300 -0.019 0.000 1.357 485 I CB -0.353 37.630 38.000 -0.028 0.000 1.051 485 I HN 0.059 nan 8.210 nan 0.000 0.409 486 R N 1.073 121.571 120.500 -0.004 0.000 2.083 486 R HA -0.200 4.141 4.340 0.001 0.000 0.237 486 R C 2.072 178.385 176.300 0.022 0.000 1.137 486 R CA 1.844 57.953 56.100 0.015 0.000 0.951 486 R CB -0.095 30.207 30.300 0.002 0.000 0.851 486 R HN 0.429 nan 8.270 nan 0.000 0.434 487 E N -0.641 119.564 120.200 0.008 0.000 2.230 487 E HA -0.071 4.280 4.350 0.001 0.000 0.192 487 E C 1.653 178.258 176.600 0.008 0.000 0.987 487 E CA 0.722 57.129 56.400 0.010 0.000 0.841 487 E CB 0.355 30.056 29.700 0.002 0.000 0.783 487 E HN 0.286 nan 8.360 nan 0.000 0.481 488 K N -1.081 119.321 120.400 0.003 0.000 2.370 488 K HA 0.110 4.431 4.320 0.001 0.000 0.194 488 K C 1.103 177.706 176.600 0.003 0.000 1.070 488 K CA 0.591 56.879 56.287 0.002 0.000 0.998 488 K CB 1.271 33.770 32.500 -0.002 0.000 0.911 488 K HN 0.178 nan 8.250 nan 0.000 0.533 489 G N 2.299 111.102 108.800 0.005 0.000 2.162 489 G HA2 -0.279 3.682 3.960 0.001 0.000 0.260 489 G HA3 -0.279 3.682 3.960 0.001 0.000 0.260 489 G C -0.144 174.760 174.900 0.006 0.000 0.976 489 G CA 0.681 45.786 45.100 0.008 0.000 0.655 489 G HN 0.381 nan 8.290 nan 0.000 0.533 490 E N -1.136 119.065 120.200 0.003 0.000 2.355 490 E HA 0.740 5.090 4.350 0.001 0.000 0.261 490 E C -0.300 176.299 176.600 -0.002 0.000 0.943 490 E CA -1.066 55.337 56.400 0.004 0.000 0.806 490 E CB 1.487 31.189 29.700 0.003 0.000 1.286 490 E HN 0.133 nan 8.360 nan 0.000 0.424 491 L N 2.070 123.294 121.223 0.001 0.000 2.366 491 L HA 0.271 4.612 4.340 0.001 0.000 0.266 491 L C -0.196 176.672 176.870 -0.003 0.000 1.010 491 L CA -0.722 54.113 54.840 -0.008 0.000 0.879 491 L CB 1.179 43.235 42.059 -0.006 0.000 1.228 491 L HN 0.515 nan 8.230 nan 0.000 0.439 492 S N 1.289 116.984 115.700 -0.009 0.000 2.572 492 S HA 0.154 4.625 4.470 0.001 0.000 0.279 492 S C 1.143 175.740 174.600 -0.005 0.000 1.341 492 S CA -0.722 57.475 58.200 -0.005 0.000 1.043 492 S CB 1.215 64.410 63.200 -0.007 0.000 0.887 492 S HN 0.564 nan 8.310 nan 0.000 0.516 493 K N 1.742 122.144 120.400 0.003 0.000 2.089 493 K HA -0.284 4.036 4.320 0.001 0.000 0.210 493 K C 2.121 178.721 176.600 0.000 0.000 1.048 493 K CA 2.081 58.373 56.287 0.008 0.000 0.926 493 K CB -0.486 32.021 32.500 0.012 0.000 0.714 493 K HN 0.950 nan 8.250 nan 0.000 0.448 494 E N 1.512 121.709 120.200 -0.005 0.000 2.051 494 E HA -0.212 4.138 4.350 0.001 0.000 0.192 494 E C 2.148 178.733 176.600 -0.026 0.000 0.991 494 E CA 0.983 57.377 56.400 -0.010 0.000 0.799 494 E CB -0.206 29.490 29.700 -0.007 0.000 0.748 494 E HN 0.182 nan 8.360 nan 0.000 0.449 495 L N 0.224 121.426 121.223 -0.034 0.000 2.141 495 L HA -0.043 4.298 4.340 0.001 0.000 0.209 495 L C 2.275 179.085 176.870 -0.100 0.000 1.094 495 L CA 1.049 55.853 54.840 -0.060 0.000 0.763 495 L CB -0.426 41.601 42.059 -0.054 0.000 0.908 495 L HN 0.322 nan 8.230 nan 0.000 0.437 496 L N -0.215 120.960 121.223 -0.080 0.000 2.017 496 L HA -0.130 4.211 4.340 0.001 0.000 0.208 496 L C 2.526 179.336 176.870 -0.100 0.000 1.073 496 L CA 2.183 56.960 54.840 -0.104 0.000 0.745 496 L CB -1.157 40.897 42.059 -0.008 0.000 0.894 496 L HN 0.290 nan 8.230 nan 0.000 0.432 497 A N -2.072 120.728 122.820 -0.033 0.000 1.930 497 A HA -0.191 4.130 4.320 0.001 0.000 0.217 497 A C 2.523 180.088 177.584 -0.031 0.000 1.175 497 A CA 1.767 53.802 52.037 -0.004 0.000 0.627 497 A CB -0.994 18.013 19.000 0.013 0.000 0.815 497 A HN 0.499 nan 8.150 nan 0.000 0.443 498 S N -0.867 114.800 115.700 -0.055 0.000 2.383 498 S HA -0.116 4.355 4.470 0.001 0.000 0.227 498 S C 1.879 176.409 174.600 -0.118 0.000 1.026 498 S CA 1.411 59.573 58.200 -0.062 0.000 0.981 498 S CB -0.403 62.767 63.200 -0.050 0.000 0.818 498 S HN 0.436 nan 8.310 nan 0.000 0.472 499 L N 1.943 123.054 121.223 -0.186 0.000 2.093 499 L HA 0.098 4.439 4.340 0.001 0.000 0.208 499 L C 2.250 178.984 176.870 -0.227 0.000 1.085 499 L CA 1.890 56.562 54.840 -0.281 0.000 0.755 499 L CB -0.701 41.066 42.059 -0.487 0.000 0.904 499 L HN 0.233 nan 8.230 nan 0.000 0.435 500 K N -1.094 119.219 120.400 -0.145 0.000 2.063 500 K HA -0.173 4.148 4.320 0.001 0.000 0.208 500 K C 2.076 178.693 176.600 0.028 0.000 1.048 500 K CA 1.667 58.017 56.287 0.105 0.000 0.928 500 K CB -0.085 32.532 32.500 0.194 0.000 0.713 500 K HN 0.378 nan 8.250 nan 0.000 0.442 501 S N 0.466 116.162 115.700 -0.007 0.000 2.351 501 S HA -0.208 4.263 4.470 0.001 0.000 0.220 501 S C 2.069 176.662 174.600 -0.011 0.000 1.035 501 S CA 1.487 59.685 58.200 -0.003 0.000 1.031 501 S CB -0.435 62.762 63.200 -0.006 0.000 0.928 501 S HN 0.549 nan 8.310 nan 0.000 0.433 502 A N 1.094 123.857 122.820 -0.096 0.000 1.969 502 A HA -0.054 4.266 4.320 0.001 0.000 0.218 502 A C 2.284 179.973 177.584 0.175 0.000 1.169 502 A CA 1.801 53.771 52.037 -0.112 0.000 0.635 502 A CB -1.140 17.462 19.000 -0.664 0.000 0.810 502 A HN 0.504 nan 8.150 nan 0.000 0.445 503 T N -0.033 114.584 114.554 0.105 0.000 2.643 503 T HA -0.151 4.200 4.350 0.001 0.000 0.264 503 T C 1.792 176.436 174.700 -0.093 0.000 1.045 503 T CA 1.728 63.855 62.100 0.045 0.000 1.155 503 T CB -0.288 68.542 68.868 -0.063 0.000 0.863 503 T HN 0.619 nan 8.240 nan 0.000 0.420 504 E N 0.783 120.893 120.200 -0.150 0.000 2.130 504 E HA -0.139 4.212 4.350 0.001 0.000 0.196 504 E C 2.436 179.031 176.600 -0.008 0.000 0.998 504 E CA 1.257 57.602 56.400 -0.092 0.000 0.806 504 E CB -0.200 29.485 29.700 -0.024 0.000 0.738 504 E HN 0.377 nan 8.360 nan 0.000 0.459 505 S N -0.349 115.377 115.700 0.044 0.000 2.351 505 S HA -0.213 4.257 4.470 0.001 0.000 0.220 505 S C 1.819 176.408 174.600 -0.019 0.000 1.035 505 S CA 1.300 59.535 58.200 0.058 0.000 1.031 505 S CB -0.423 62.879 63.200 0.171 0.000 0.928 505 S HN 0.379 nan 8.310 nan 0.000 0.433 506 F N 2.224 122.042 119.950 -0.219 0.000 2.102 506 F HA -0.062 4.466 4.527 0.001 0.000 0.298 506 F C 2.202 177.896 175.800 -0.177 0.000 1.105 506 F CA 1.733 59.510 58.000 -0.372 0.000 1.239 506 F CB -0.738 37.992 39.000 -0.449 0.000 0.991 506 F HN 0.090 nan 8.300 nan 0.000 0.474 507 V N 0.729 120.616 119.914 -0.044 0.000 2.324 507 V HA -0.371 3.750 4.120 0.001 0.000 0.250 507 V C 2.722 178.731 176.094 -0.141 0.000 1.060 507 V CA 1.901 64.169 62.300 -0.054 0.000 1.042 507 V CB -1.698 30.128 31.823 0.005 0.000 0.650 507 V HN 0.506 nan 8.190 nan 0.000 0.450 508 A N -1.205 121.545 122.820 -0.117 0.000 2.131 508 A HA -0.084 4.237 4.320 0.001 0.000 0.220 508 A C 1.518 179.018 177.584 -0.141 0.000 1.158 508 A CA 1.976 53.954 52.037 -0.099 0.000 0.665 508 A CB -0.352 18.612 19.000 -0.059 0.000 0.795 508 A HN 0.587 nan 8.150 nan 0.000 0.460 509 T N 0.000 114.410 114.554 -0.240 0.000 3.816 509 T HA 0.000 4.351 4.350 0.001 0.000 0.228 509 T CA 0.000 61.949 62.100 -0.252 0.000 1.349 509 T CB 0.000 68.737 68.868 -0.218 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658