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 1ebu_1_A DATA FIRST_RESID 2 DATA SEQUENCE STKVVNVAVI GAGVVGSAFL DQLLAMKSTI TYNLVLLAEA ERSLISKDFS DATA SEQUENCE PLNVGSDWKA ALAASTTKTL PLDDLIAHLK TSPKPVILVD NTSSAYIAGF DATA SEQUENCE YTKFVENGIS IATPNKKAFS SDLATWKALF SNKPTNGFVY HEATVGAGLP DATA SEQUENCE IISFLREIIQ TGDEVEKIEG IFSGTLSYIF NEFSTSQAND VKFSDVVKVA DATA SEQUENCE KKLGYTEPDP RDDLNGLDVA RKVTIVGRIS GVEVESPTSF PVQSLIPKPL DATA SEQUENCE ESVKSADEFL EKLSDYDKDL TQLKKEAATE NKVLRFIGKV DVATKSVSVG DATA SEQUENCE IEKYDYSHPF ASLKGSDNVI SIKTKRYTNP VVIQGAGAGA AVTAAGVLGD DATA SEQUENCE VIKIAQRL 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.584 174.600 -0.027 0.000 1.055 2 S CA 0.000 58.191 58.200 -0.014 0.000 1.107 2 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 3 T N 0.765 115.301 114.554 -0.030 0.000 2.772 3 T HA -0.062 4.289 4.350 0.001 0.000 0.268 3 T C 0.435 175.094 174.700 -0.069 0.000 1.025 3 T CA 0.548 62.620 62.100 -0.046 0.000 1.139 3 T CB -0.094 68.744 68.868 -0.049 0.000 1.053 3 T HN 0.669 nan 8.240 nan 0.000 0.483 4 K N 1.352 121.712 120.400 -0.067 0.000 2.358 4 K HA 0.350 4.670 4.320 0.001 0.000 0.200 4 K C -0.356 176.182 176.600 -0.104 0.000 1.030 4 K CA -0.139 56.102 56.287 -0.078 0.000 1.097 4 K CB 0.801 33.273 32.500 -0.047 0.000 0.862 4 K HN 0.504 nan 8.250 nan 0.000 0.534 5 V N 1.298 121.149 119.914 -0.105 0.000 2.623 5 V HA 0.283 4.403 4.120 0.001 0.000 0.304 5 V C -1.165 174.860 176.094 -0.116 0.000 1.054 5 V CA -0.980 61.256 62.300 -0.106 0.000 0.882 5 V CB 2.234 34.027 31.823 -0.050 0.000 1.002 5 V HN -0.184 nan 8.190 nan 0.000 0.424 6 V N 5.360 125.179 119.914 -0.158 0.000 2.577 6 V HA 0.532 4.653 4.120 0.001 0.000 0.303 6 V C -0.393 175.690 176.094 -0.019 0.000 1.042 6 V CA -0.469 61.764 62.300 -0.111 0.000 0.872 6 V CB 2.093 33.795 31.823 -0.202 0.000 0.998 6 V HN 0.985 nan 8.190 nan 0.000 0.423 7 N N 4.654 123.384 118.700 0.049 0.000 2.444 7 N HA 0.547 5.288 4.740 0.001 0.000 0.271 7 N C -0.933 174.658 175.510 0.135 0.000 1.069 7 N CA -0.491 52.632 53.050 0.122 0.000 0.965 7 N CB 1.874 40.488 38.487 0.211 0.000 1.092 7 N HN 0.497 nan 8.380 nan 0.000 0.476 8 V N 1.473 121.472 119.914 0.142 0.000 2.435 8 V HA 0.650 4.770 4.120 0.001 0.000 0.290 8 V C -0.017 176.144 176.094 0.112 0.000 1.030 8 V CA -0.818 61.567 62.300 0.143 0.000 0.881 8 V CB 1.230 33.164 31.823 0.185 0.000 0.983 8 V HN 0.727 nan 8.190 nan 0.000 0.445 9 A N 4.716 127.591 122.820 0.093 0.000 2.304 9 A HA 0.842 5.162 4.320 0.001 0.000 0.314 9 A C -0.797 176.802 177.584 0.024 0.000 1.187 9 A CA -0.508 51.569 52.037 0.067 0.000 0.810 9 A CB 1.347 20.404 19.000 0.095 0.000 1.183 9 A HN 0.662 nan 8.150 nan 0.000 0.487 10 V N 3.787 123.710 119.914 0.014 0.000 2.555 10 V HA 0.480 4.601 4.120 0.001 0.000 0.302 10 V C -0.373 175.700 176.094 -0.036 0.000 1.038 10 V CA -0.279 62.008 62.300 -0.022 0.000 0.887 10 V CB 1.569 33.398 31.823 0.010 0.000 0.991 10 V HN 0.756 nan 8.190 nan 0.000 0.434 11 I N 3.634 124.170 120.570 -0.058 0.000 2.418 11 I HA 0.748 4.919 4.170 0.001 0.000 0.287 11 I C 0.466 176.563 176.117 -0.033 0.000 1.008 11 I CA -0.373 60.908 61.300 -0.032 0.000 1.104 11 I CB 1.735 39.721 38.000 -0.024 0.000 1.264 11 I HN 0.883 nan 8.210 nan 0.000 0.438 12 G N 4.652 113.445 108.800 -0.011 0.000 3.439 12 G HA2 0.143 4.103 3.960 0.001 0.000 0.686 12 G HA3 0.143 4.103 3.960 0.001 0.000 0.686 12 G C -0.450 174.446 174.900 -0.007 0.000 1.075 12 G CA -0.309 44.792 45.100 0.001 0.000 0.926 12 G HN 1.016 nan 8.290 nan 0.000 0.485 13 A N 2.038 124.877 122.820 0.031 0.000 3.113 13 A HA 0.830 5.150 4.320 0.001 0.000 0.307 13 A C 1.243 178.905 177.584 0.131 0.000 1.025 13 A CA 0.975 53.043 52.037 0.052 0.000 1.012 13 A CB -0.028 19.032 19.000 0.101 0.000 1.085 13 A HN 2.040 nan 8.150 nan 0.000 0.519 14 G N -0.438 108.415 108.800 0.089 0.000 2.928 14 G HA2 0.345 4.305 3.960 0.001 0.000 0.163 14 G HA3 0.345 4.305 3.960 0.001 0.000 0.163 14 G C 1.131 176.091 174.900 0.100 0.000 1.573 14 G CA 0.564 45.718 45.100 0.091 0.000 1.084 14 G HN 0.203 nan 8.290 nan 0.000 0.569 15 V N 0.324 120.282 119.914 0.074 0.000 2.237 15 V HA -0.169 3.951 4.120 0.001 0.000 0.245 15 V C 3.152 179.293 176.094 0.078 0.000 1.046 15 V CA 2.280 64.621 62.300 0.069 0.000 1.007 15 V CB -0.609 31.242 31.823 0.046 0.000 0.638 15 V HN 0.515 nan 8.190 nan 0.000 0.445 16 V N -0.695 119.260 119.914 0.068 0.000 2.407 16 V HA 0.074 4.195 4.120 0.001 0.000 0.245 16 V C 2.429 178.587 176.094 0.108 0.000 1.041 16 V CA 1.926 64.272 62.300 0.077 0.000 1.040 16 V CB -1.600 30.255 31.823 0.053 0.000 0.671 16 V HN 0.415 nan 8.190 nan 0.000 0.455 17 G N 0.352 109.200 108.800 0.080 0.000 2.446 17 G HA2 -0.250 3.710 3.960 0.001 0.000 0.217 17 G HA3 -0.250 3.710 3.960 0.001 0.000 0.217 17 G C 1.722 176.669 174.900 0.078 0.000 1.168 17 G CA 1.357 46.503 45.100 0.077 0.000 0.771 17 G HN 0.541 nan 8.290 nan 0.000 0.551 18 S N 1.046 116.829 115.700 0.138 0.000 2.353 18 S HA -0.088 4.382 4.470 0.001 0.000 0.222 18 S C 2.796 177.548 174.600 0.253 0.000 1.035 18 S CA 1.435 59.822 58.200 0.312 0.000 1.025 18 S CB -0.494 62.944 63.200 0.397 0.000 0.902 18 S HN 0.609 nan 8.310 nan 0.000 0.440 19 A N 0.660 123.584 122.820 0.173 0.000 1.972 19 A HA -0.049 4.271 4.320 0.001 0.000 0.219 19 A C 1.879 179.512 177.584 0.082 0.000 1.169 19 A CA 1.325 53.435 52.037 0.122 0.000 0.635 19 A CB -0.766 18.290 19.000 0.094 0.000 0.810 19 A HN 0.510 nan 8.150 nan 0.000 0.446 20 F N 0.727 120.655 119.950 -0.038 0.000 2.075 20 F HA -0.143 4.384 4.527 0.001 0.000 0.297 20 F C 1.862 177.581 175.800 -0.134 0.000 1.113 20 F CA 1.787 59.736 58.000 -0.085 0.000 1.218 20 F CB -0.457 38.480 39.000 -0.105 0.000 0.984 20 F HN 0.144 nan 8.300 nan 0.000 0.472 21 L N 0.081 121.085 121.223 -0.365 0.000 2.012 21 L HA -0.241 4.099 4.340 0.001 0.000 0.210 21 L C 2.277 178.953 176.870 -0.323 0.000 1.073 21 L CA 1.583 56.053 54.840 -0.617 0.000 0.748 21 L CB -0.955 40.388 42.059 -1.193 0.000 0.891 21 L HN 0.105 nan 8.230 nan 0.000 0.431 22 D N -0.265 120.143 120.400 0.013 0.000 2.104 22 D HA -0.212 4.428 4.640 0.001 0.000 0.194 22 D C 2.305 178.569 176.300 -0.061 0.000 0.994 22 D CA 1.211 55.286 54.000 0.125 0.000 0.830 22 D CB -0.195 40.707 40.800 0.170 0.000 0.959 22 D HN 0.375 nan 8.370 nan 0.000 0.452 23 Q N -0.316 119.394 119.800 -0.150 0.000 2.050 23 Q HA -0.134 4.207 4.340 0.001 0.000 0.202 23 Q C 2.249 178.074 176.000 -0.292 0.000 0.980 23 Q CA 0.696 56.385 55.803 -0.190 0.000 0.840 23 Q CB -0.174 28.460 28.738 -0.173 0.000 0.898 23 Q HN 0.194 nan 8.270 nan 0.000 0.424 24 L N 0.619 121.534 121.223 -0.513 0.000 1.989 24 L HA -0.190 4.150 4.340 0.001 0.000 0.211 24 L C 1.886 178.573 176.870 -0.306 0.000 1.071 24 L CA 1.780 56.292 54.840 -0.546 0.000 0.749 24 L CB -0.501 41.053 42.059 -0.843 0.000 0.890 24 L HN 0.208 nan 8.230 nan 0.000 0.431 25 L N -0.479 120.608 121.223 -0.227 0.000 2.456 25 L HA -0.064 4.277 4.340 0.001 0.000 0.224 25 L C 2.010 178.848 176.870 -0.053 0.000 1.148 25 L CA 0.760 55.545 54.840 -0.091 0.000 0.825 25 L CB -0.644 41.410 42.059 -0.009 0.000 0.937 25 L HN 0.463 nan 8.230 nan 0.000 0.450 26 A N -1.005 121.770 122.820 -0.074 0.000 2.470 26 A HA 0.192 4.513 4.320 0.001 0.000 0.251 26 A C 0.878 178.424 177.584 -0.063 0.000 1.245 26 A CA -0.416 51.593 52.037 -0.047 0.000 0.932 26 A CB 0.013 18.994 19.000 -0.032 0.000 1.037 26 A HN 0.251 nan 8.150 nan 0.000 0.522 27 M N 1.457 120.996 119.600 -0.101 0.000 2.217 27 M HA 0.229 4.710 4.480 0.001 0.000 0.352 27 M C -0.856 175.409 176.300 -0.058 0.000 1.376 27 M CA -0.056 55.178 55.300 -0.110 0.000 1.107 27 M CB 0.330 32.806 32.600 -0.207 0.000 1.723 27 M HN 0.035 nan 8.290 nan 0.000 0.461 28 K N 3.689 124.065 120.400 -0.040 0.000 2.297 28 K HA 0.413 4.734 4.320 0.001 0.000 0.286 28 K C -0.724 175.878 176.600 0.003 0.000 1.053 28 K CA -0.270 56.010 56.287 -0.011 0.000 0.940 28 K CB 1.007 33.501 32.500 -0.010 0.000 1.019 28 K HN 0.691 nan 8.250 nan 0.000 0.475 29 S N -0.686 115.037 115.700 0.037 0.000 2.547 29 S HA 0.246 4.717 4.470 0.001 0.000 0.270 29 S C 0.599 175.246 174.600 0.079 0.000 1.150 29 S CA -0.632 57.614 58.200 0.078 0.000 0.850 29 S CB 1.479 64.779 63.200 0.166 0.000 1.118 29 S HN 0.509 nan 8.310 nan 0.000 0.461 30 T N 1.190 115.786 114.554 0.070 0.000 2.698 30 T HA 0.159 4.509 4.350 0.001 0.000 0.260 30 T C 0.962 175.684 174.700 0.037 0.000 1.044 30 T CA 0.748 62.873 62.100 0.041 0.000 1.149 30 T CB -0.694 68.190 68.868 0.026 0.000 0.864 30 T HN 0.578 nan 8.240 nan 0.000 0.419 31 I N 2.003 122.596 120.570 0.039 0.000 2.892 31 I HA 0.067 4.238 4.170 0.001 0.000 0.287 31 I C 0.158 176.257 176.117 -0.030 0.000 1.205 31 I CA 0.160 61.427 61.300 -0.056 0.000 1.409 31 I CB 0.794 38.674 38.000 -0.200 0.000 1.367 31 I HN 0.199 nan 8.210 nan 0.000 0.597 32 T N 5.549 120.035 114.554 -0.114 0.000 2.743 32 T HA 0.349 4.700 4.350 0.001 0.000 0.292 32 T C -0.768 173.858 174.700 -0.123 0.000 0.972 32 T CA -0.174 61.906 62.100 -0.033 0.000 0.967 32 T CB 0.058 68.915 68.868 -0.017 0.000 0.926 32 T HN 0.167 nan 8.240 nan 0.000 0.459 33 Y N 3.455 123.756 120.300 0.001 0.000 2.434 33 Y HA 0.337 4.888 4.550 0.001 0.000 0.341 33 Y C 0.798 176.703 175.900 0.008 0.000 0.965 33 Y CA -1.017 57.086 58.100 0.004 0.000 1.205 33 Y CB 0.638 39.091 38.460 -0.013 0.000 1.121 33 Y HN 0.468 nan 8.280 nan 0.000 0.507 34 N N 3.676 122.452 118.700 0.126 0.000 2.426 34 N HA 0.206 4.946 4.740 0.001 0.000 0.275 34 N C -1.183 174.387 175.510 0.100 0.000 1.019 34 N CA -0.663 52.446 53.050 0.099 0.000 0.941 34 N CB 2.214 40.751 38.487 0.083 0.000 1.123 34 N HN 0.509 nan 8.380 nan 0.000 0.486 35 L N 4.049 125.315 121.223 0.072 0.000 2.295 35 L HA 0.160 4.500 4.340 0.001 0.000 0.288 35 L C 0.990 177.882 176.870 0.038 0.000 1.079 35 L CA -0.114 54.757 54.840 0.051 0.000 0.830 35 L CB 0.512 42.579 42.059 0.014 0.000 1.200 35 L HN 0.439 nan 8.230 nan 0.000 0.438 36 V N 3.653 123.588 119.914 0.034 0.000 3.307 36 V HA 0.312 4.433 4.120 0.001 0.000 0.253 36 V C 0.204 176.258 176.094 -0.066 0.000 1.149 36 V CA 0.181 62.462 62.300 -0.030 0.000 1.112 36 V CB 0.473 32.258 31.823 -0.063 0.000 0.777 36 V HN 0.584 nan 8.190 nan 0.000 0.464 37 L N 1.522 122.734 121.223 -0.017 0.000 2.493 37 L HA 0.725 5.066 4.340 0.001 0.000 0.265 37 L C -1.966 174.905 176.870 0.001 0.000 0.954 37 L CA -0.513 54.318 54.840 -0.015 0.000 0.844 37 L CB 2.122 44.186 42.059 0.008 0.000 1.302 37 L HN 0.328 nan 8.230 nan 0.000 0.405 38 L N 4.716 125.939 121.223 -0.000 0.000 2.410 38 L HA 0.938 5.279 4.340 0.001 0.000 0.270 38 L C -1.218 175.660 176.870 0.014 0.000 0.983 38 L CA -0.047 54.793 54.840 -0.000 0.000 0.822 38 L CB 1.786 43.849 42.059 0.006 0.000 1.285 38 L HN 0.792 nan 8.230 nan 0.000 0.409 39 A N 3.641 126.468 122.820 0.012 0.000 2.422 39 A HA 0.839 5.160 4.320 0.001 0.000 0.302 39 A C -0.579 177.023 177.584 0.030 0.000 1.041 39 A CA -0.434 51.616 52.037 0.022 0.000 0.708 39 A CB 1.667 20.676 19.000 0.015 0.000 1.257 39 A HN 0.696 nan 8.150 nan 0.000 0.414 40 E N 0.922 121.148 120.200 0.044 0.000 4.092 40 E HA 0.704 5.054 4.350 0.001 0.000 0.295 40 E C 1.593 178.216 176.600 0.038 0.000 0.821 40 E CA 0.497 56.928 56.400 0.052 0.000 1.543 40 E CB 0.238 29.985 29.700 0.079 0.000 2.143 40 E HN 0.671 nan 8.360 nan 0.000 0.465 41 A N 0.875 123.717 122.820 0.037 0.000 2.582 41 A HA -0.114 4.206 4.320 0.001 0.000 0.183 41 A C 1.581 179.175 177.584 0.017 0.000 1.414 41 A CA 1.728 53.779 52.037 0.024 0.000 0.708 41 A CB -0.985 18.028 19.000 0.022 0.000 1.020 41 A HN 0.432 nan 8.150 nan 0.000 0.517 42 E N 0.098 120.306 120.200 0.013 0.000 2.442 42 E HA 0.113 4.463 4.350 0.001 0.000 0.195 42 E C 0.536 177.142 176.600 0.011 0.000 1.030 42 E CA 0.126 56.531 56.400 0.008 0.000 0.869 42 E CB 0.017 29.719 29.700 0.003 0.000 0.857 42 E HN 0.411 nan 8.360 nan 0.000 0.505 43 R N 0.360 120.871 120.500 0.020 0.000 2.500 43 R HA 0.657 4.997 4.340 0.001 0.000 0.277 43 R C -0.422 175.893 176.300 0.026 0.000 1.026 43 R CA -0.300 55.814 56.100 0.023 0.000 1.058 43 R CB 1.534 31.854 30.300 0.033 0.000 1.078 43 R HN -0.088 nan 8.270 nan 0.000 0.509 44 S N 0.947 116.659 115.700 0.020 0.000 2.547 44 S HA 0.427 4.898 4.470 0.001 0.000 0.270 44 S C -1.370 173.236 174.600 0.011 0.000 1.150 44 S CA -0.779 57.430 58.200 0.015 0.000 0.850 44 S CB 1.504 64.701 63.200 -0.005 0.000 1.118 44 S HN 0.323 nan 8.310 nan 0.000 0.461 45 L N 3.120 124.352 121.223 0.015 0.000 2.356 45 L HA 0.720 5.060 4.340 0.001 0.000 0.277 45 L C -0.822 176.035 176.870 -0.021 0.000 0.996 45 L CA -0.593 54.253 54.840 0.010 0.000 0.822 45 L CB 1.523 43.609 42.059 0.045 0.000 1.256 45 L HN 0.670 nan 8.230 nan 0.000 0.413 46 I N 2.275 122.817 120.570 -0.048 0.000 2.571 46 I HA 0.450 4.621 4.170 0.001 0.000 0.289 46 I C -0.547 175.515 176.117 -0.092 0.000 1.115 46 I CA -0.191 61.053 61.300 -0.093 0.000 1.045 46 I CB 2.289 40.191 38.000 -0.162 0.000 1.238 46 I HN 0.631 nan 8.210 nan 0.000 0.424 47 S N 5.608 121.240 115.700 -0.113 0.000 2.422 47 S HA 0.424 4.894 4.470 0.001 0.000 0.308 47 S C 0.484 175.006 174.600 -0.131 0.000 1.097 47 S CA -0.745 57.404 58.200 -0.085 0.000 1.099 47 S CB 1.638 64.807 63.200 -0.051 0.000 0.976 47 S HN 0.852 nan 8.310 nan 0.000 0.471 48 K N 1.975 122.354 120.400 -0.036 0.000 2.283 48 K HA -0.061 4.260 4.320 0.001 0.000 0.202 48 K C 0.694 177.383 176.600 0.148 0.000 1.048 48 K CA 0.972 57.292 56.287 0.055 0.000 0.948 48 K CB -0.051 32.496 32.500 0.079 0.000 0.742 48 K HN 0.608 nan 8.250 nan 0.000 0.458 49 D N 0.053 120.517 120.400 0.107 0.000 2.224 49 D HA -0.069 4.572 4.640 0.001 0.000 0.205 49 D C 0.176 176.659 176.300 0.304 0.000 0.965 49 D CA 0.746 54.846 54.000 0.166 0.000 0.852 49 D CB 0.084 40.945 40.800 0.101 0.000 0.947 49 D HN 0.101 nan 8.370 nan 0.000 0.494 50 F N -0.220 119.760 119.950 0.050 0.000 2.926 50 F HA -0.265 4.263 4.527 0.001 0.000 0.288 50 F C 0.590 176.408 175.800 0.029 0.000 0.756 50 F CA 0.270 58.291 58.000 0.036 0.000 1.292 50 F CB -1.843 37.157 39.000 0.000 0.000 1.482 50 F HN -0.140 nan 8.300 nan 0.000 0.400 51 S N -1.340 114.443 115.700 0.139 0.000 2.713 51 S HA 0.779 5.250 4.470 0.001 0.000 0.283 51 S C -2.500 172.138 174.600 0.064 0.000 1.161 51 S CA -1.726 56.531 58.200 0.095 0.000 0.999 51 S CB 1.868 65.111 63.200 0.073 0.000 1.039 51 S HN -0.115 nan 8.310 nan 0.000 0.548 52 P HA 0.050 nan 4.420 nan 0.000 0.263 52 P C -0.622 176.700 177.300 0.037 0.000 1.175 52 P CA 0.157 63.286 63.100 0.048 0.000 0.761 52 P CB 0.181 31.909 31.700 0.047 0.000 0.794 53 L N 4.053 125.296 121.223 0.034 0.000 2.455 53 L HA 0.036 4.377 4.340 0.001 0.000 0.272 53 L C 1.054 177.948 176.870 0.040 0.000 1.174 53 L CA 0.078 54.937 54.840 0.030 0.000 0.869 53 L CB 0.070 42.151 42.059 0.038 0.000 1.130 53 L HN 0.333 nan 8.230 nan 0.000 0.474 54 N N 3.858 122.578 118.700 0.033 0.000 3.027 54 N HA 0.021 4.761 4.740 0.001 0.000 0.309 54 N C 0.652 176.185 175.510 0.037 0.000 1.222 54 N CA 0.096 53.166 53.050 0.033 0.000 1.187 54 N CB 0.419 38.921 38.487 0.025 0.000 1.458 54 N HN 0.557 nan 8.380 nan 0.000 0.535 55 V N -2.910 117.035 119.914 0.051 0.000 3.411 55 V HA 0.438 4.559 4.120 0.001 0.000 0.287 55 V C 1.134 177.263 176.094 0.059 0.000 1.543 55 V CA 0.417 62.753 62.300 0.060 0.000 1.028 55 V CB -0.159 31.724 31.823 0.100 0.000 0.840 55 V HN 0.425 nan 8.190 nan 0.000 0.435 56 G N 1.898 110.732 108.800 0.057 0.000 2.556 56 G HA2 -0.334 3.626 3.960 0.001 0.000 0.283 56 G HA3 -0.334 3.626 3.960 0.001 0.000 0.283 56 G C 0.813 175.761 174.900 0.080 0.000 1.177 56 G CA 0.692 45.823 45.100 0.051 0.000 0.978 56 G HN 0.913 nan 8.290 nan 0.000 0.554 57 S N 1.133 116.874 115.700 0.068 0.000 2.524 57 S HA 0.183 4.653 4.470 0.001 0.000 0.216 57 S C 0.455 175.109 174.600 0.089 0.000 0.987 57 S CA 0.758 59.023 58.200 0.108 0.000 0.909 57 S CB 0.196 63.430 63.200 0.057 0.000 0.781 57 S HN 0.543 nan 8.310 nan 0.000 0.521 58 D N 2.502 122.910 120.400 0.015 0.000 2.688 58 D HA 0.041 4.682 4.640 0.001 0.000 0.228 58 D C 0.913 177.178 176.300 -0.058 0.000 1.116 58 D CA -0.209 53.736 54.000 -0.093 0.000 1.023 58 D CB -0.307 40.452 40.800 -0.068 0.000 1.100 58 D HN 0.615 nan 8.370 nan 0.000 0.487 59 W N 0.707 122.002 121.300 -0.009 0.000 2.576 59 W HA 0.078 4.739 4.660 0.001 0.000 0.275 59 W C 1.482 178.002 176.519 0.001 0.000 1.241 59 W CA -0.164 57.179 57.345 -0.003 0.000 1.328 59 W CB -0.408 29.052 29.460 -0.001 0.000 1.092 59 W HN 0.048 nan 8.180 nan 0.000 0.586 60 K N 1.722 121.525 120.400 -0.995 0.000 2.057 60 K HA -0.064 4.256 4.320 0.001 0.000 0.206 60 K C 2.477 178.905 176.600 -0.286 0.000 1.050 60 K CA 2.375 58.184 56.287 -0.796 0.000 0.935 60 K CB -0.503 31.274 32.500 -1.205 0.000 0.715 60 K HN 0.027 nan 8.250 nan 0.000 0.439 61 A N 0.834 123.493 122.820 -0.268 0.000 1.855 61 A HA -0.062 4.259 4.320 0.001 0.000 0.215 61 A C 2.390 179.937 177.584 -0.061 0.000 1.191 61 A CA 1.888 53.842 52.037 -0.138 0.000 0.613 61 A CB -1.206 17.717 19.000 -0.128 0.000 0.829 61 A HN 0.444 nan 8.150 nan 0.000 0.442 62 A N -0.382 122.417 122.820 -0.034 0.000 1.873 62 A HA -0.133 4.187 4.320 0.001 0.000 0.218 62 A C 2.170 179.779 177.584 0.040 0.000 1.193 62 A CA 1.989 54.035 52.037 0.015 0.000 0.629 62 A CB -0.819 18.209 19.000 0.047 0.000 0.826 62 A HN 0.775 nan 8.150 nan 0.000 0.447 63 L N -0.140 121.134 121.223 0.085 0.000 2.012 63 L HA -0.117 4.223 4.340 0.001 0.000 0.210 63 L C 2.678 179.585 176.870 0.063 0.000 1.073 63 L CA 2.445 57.351 54.840 0.111 0.000 0.748 63 L CB -0.980 41.214 42.059 0.226 0.000 0.891 63 L HN 0.369 nan 8.230 nan 0.000 0.431 64 A N -0.889 121.951 122.820 0.033 0.000 2.024 64 A HA -0.071 4.249 4.320 0.001 0.000 0.220 64 A C 2.290 179.879 177.584 0.008 0.000 1.164 64 A CA 1.785 53.831 52.037 0.014 0.000 0.643 64 A CB -0.941 18.049 19.000 -0.016 0.000 0.806 64 A HN 0.603 nan 8.150 nan 0.000 0.451 65 A N -1.057 121.767 122.820 0.006 0.000 2.147 65 A HA 0.355 4.675 4.320 0.001 0.000 0.211 65 A C 1.420 179.009 177.584 0.008 0.000 1.160 65 A CA 0.751 52.790 52.037 0.003 0.000 0.781 65 A CB -0.497 18.501 19.000 -0.004 0.000 0.842 65 A HN 0.497 nan 8.150 nan 0.000 0.475 66 S N 0.734 116.444 115.700 0.017 0.000 2.558 66 S HA 0.145 4.616 4.470 0.001 0.000 0.293 66 S C 1.318 175.923 174.600 0.010 0.000 1.292 66 S CA 0.774 58.984 58.200 0.016 0.000 1.063 66 S CB 0.400 63.615 63.200 0.024 0.000 0.831 66 S HN 0.687 nan 8.310 nan 0.000 0.499 67 T N 1.222 115.779 114.554 0.004 0.000 3.054 67 T HA 0.211 4.561 4.350 0.001 0.000 0.255 67 T C 0.460 175.159 174.700 -0.002 0.000 1.035 67 T CA -0.260 61.840 62.100 0.001 0.000 0.941 67 T CB -0.215 68.653 68.868 -0.000 0.000 1.026 67 T HN 0.520 nan 8.240 nan 0.000 0.533 68 T N 3.463 118.015 114.554 -0.003 0.000 2.794 68 T HA 0.303 4.654 4.350 0.001 0.000 0.296 68 T C 0.183 174.877 174.700 -0.011 0.000 0.949 68 T CA -0.397 61.696 62.100 -0.012 0.000 1.101 68 T CB 0.980 69.837 68.868 -0.019 0.000 0.905 68 T HN 0.330 nan 8.240 nan 0.000 0.516 69 K N 1.926 122.317 120.400 -0.015 0.000 2.219 69 K HA 0.241 4.561 4.320 0.001 0.000 0.258 69 K C 0.423 177.013 176.600 -0.017 0.000 1.008 69 K CA -0.317 55.963 56.287 -0.012 0.000 0.928 69 K CB 0.393 32.886 32.500 -0.012 0.000 0.983 69 K HN 0.429 nan 8.250 nan 0.000 0.484 70 T N 2.633 117.181 114.554 -0.010 0.000 2.780 70 T HA 0.200 4.550 4.350 0.001 0.000 0.294 70 T C 0.285 174.979 174.700 -0.010 0.000 0.949 70 T CA -0.530 61.565 62.100 -0.008 0.000 1.074 70 T CB 0.163 69.032 68.868 0.003 0.000 0.910 70 T HN 0.256 nan 8.240 nan 0.000 0.501 71 L N 5.565 126.777 121.223 -0.018 0.000 2.453 71 L HA 0.220 4.561 4.340 0.001 0.000 0.272 71 L C -1.814 175.056 176.870 0.000 0.000 1.182 71 L CA -1.796 53.034 54.840 -0.016 0.000 0.858 71 L CB -0.160 41.881 42.059 -0.030 0.000 1.120 71 L HN 0.353 nan 8.230 nan 0.000 0.474 72 P HA 0.049 nan 4.420 nan 0.000 0.268 72 P C 0.913 178.200 177.300 -0.021 0.000 1.204 72 P CA -0.204 62.907 63.100 0.019 0.000 0.768 72 P CB 0.630 32.352 31.700 0.037 0.000 0.842 73 L N 1.505 122.661 121.223 -0.111 0.000 2.034 73 L HA -0.283 4.058 4.340 0.001 0.000 0.217 73 L C 1.683 178.452 176.870 -0.168 0.000 1.077 73 L CA 1.711 56.387 54.840 -0.274 0.000 0.769 73 L CB -0.721 40.738 42.059 -0.999 0.000 0.890 73 L HN 0.458 nan 8.230 nan 0.000 0.435 74 D N 0.113 120.486 120.400 -0.045 0.000 2.133 74 D HA -0.193 4.448 4.640 0.001 0.000 0.195 74 D C 1.748 178.049 176.300 0.003 0.000 0.997 74 D CA 1.517 55.535 54.000 0.030 0.000 0.840 74 D CB -0.209 40.650 40.800 0.098 0.000 0.947 74 D HN 0.399 nan 8.370 nan 0.000 0.452 75 D N -0.007 120.403 120.400 0.018 0.000 2.224 75 D HA -0.086 4.554 4.640 0.001 0.000 0.205 75 D C 2.139 178.483 176.300 0.074 0.000 0.965 75 D CA 0.105 54.129 54.000 0.039 0.000 0.852 75 D CB -0.203 40.614 40.800 0.028 0.000 0.947 75 D HN 0.178 nan 8.370 nan 0.000 0.494 76 L N 0.564 121.821 121.223 0.058 0.000 2.109 76 L HA -0.016 4.324 4.340 0.001 0.000 0.207 76 L C 2.012 178.973 176.870 0.151 0.000 1.086 76 L CA 1.157 56.079 54.840 0.137 0.000 0.760 76 L CB -0.290 41.856 42.059 0.145 0.000 0.910 76 L HN -0.067 nan 8.230 nan 0.000 0.437 77 I N -0.323 120.237 120.570 -0.018 0.000 2.142 77 I HA -0.323 3.848 4.170 0.001 0.000 0.240 77 I C 2.636 178.755 176.117 0.003 0.000 1.078 77 I CA 1.302 62.525 61.300 -0.128 0.000 1.343 77 I CB -0.697 37.102 38.000 -0.335 0.000 1.046 77 I HN 0.373 nan 8.210 nan 0.000 0.405 78 A N 0.108 122.941 122.820 0.021 0.000 1.873 78 A HA -0.325 3.995 4.320 0.001 0.000 0.218 78 A C 2.362 180.016 177.584 0.117 0.000 1.193 78 A CA 2.135 54.203 52.037 0.052 0.000 0.629 78 A CB -1.316 17.716 19.000 0.055 0.000 0.826 78 A HN 0.587 nan 8.150 nan 0.000 0.447 79 H N -0.069 119.052 119.070 0.084 0.000 2.352 79 H HA -0.073 4.483 4.556 0.001 0.000 0.299 79 H C 1.847 177.337 175.328 0.271 0.000 1.097 79 H CA 1.860 58.005 56.048 0.160 0.000 1.311 79 H CB -0.195 29.649 29.762 0.137 0.000 1.377 79 H HN 0.422 nan 8.280 nan 0.000 0.504 80 L N 0.629 121.948 121.223 0.159 0.000 2.362 80 L HA -0.118 4.223 4.340 0.001 0.000 0.219 80 L C 2.340 179.209 176.870 -0.001 0.000 1.134 80 L CA 0.818 55.744 54.840 0.143 0.000 0.807 80 L CB -0.163 42.032 42.059 0.228 0.000 0.927 80 L HN 0.199 nan 8.230 nan 0.000 0.447 81 K N -0.362 120.031 120.400 -0.012 0.000 2.555 81 K HA -0.053 4.268 4.320 0.001 0.000 0.193 81 K C 1.312 177.833 176.600 -0.132 0.000 1.032 81 K CA 1.161 57.414 56.287 -0.056 0.000 1.004 81 K CB -0.039 32.444 32.500 -0.029 0.000 0.804 81 K HN 0.334 nan 8.250 nan 0.000 0.496 82 T N -2.514 111.912 114.554 -0.212 0.000 3.248 82 T HA 0.122 4.473 4.350 0.001 0.000 0.271 82 T C 0.096 174.348 174.700 -0.747 0.000 1.005 82 T CA -0.640 61.276 62.100 -0.308 0.000 0.902 82 T CB 0.425 69.202 68.868 -0.152 0.000 1.102 82 T HN -0.127 nan 8.240 nan 0.000 0.548 83 S N 2.060 117.248 115.700 -0.853 0.000 2.489 83 S HA 0.382 4.853 4.470 0.001 0.000 0.277 83 S C -1.463 172.775 174.600 -0.603 0.000 1.230 83 S CA -1.396 56.038 58.200 -1.278 0.000 1.053 83 S CB 1.005 63.784 63.200 -0.701 0.000 0.955 83 S HN 0.139 nan 8.310 nan 0.000 0.488 84 P HA 0.016 nan 4.420 nan 0.000 0.223 84 P C -0.252 176.957 177.300 -0.152 0.000 1.144 84 P CA 1.141 64.100 63.100 -0.235 0.000 0.783 84 P CB 0.211 31.822 31.700 -0.149 0.000 0.771 85 K N -1.432 118.879 120.400 -0.147 0.000 2.395 85 K HA 0.458 4.779 4.320 0.001 0.000 0.247 85 K C -2.809 173.752 176.600 -0.065 0.000 0.973 85 K CA -2.876 53.364 56.287 -0.078 0.000 0.828 85 K CB 0.437 32.914 32.500 -0.039 0.000 1.272 85 K HN -0.295 nan 8.250 nan 0.000 0.439 86 P HA 0.021 nan 4.420 nan 0.000 0.264 86 P C -0.616 176.692 177.300 0.014 0.000 1.183 86 P CA -0.085 63.008 63.100 -0.011 0.000 0.763 86 P CB 0.453 32.156 31.700 0.004 0.000 0.807 87 V N 5.133 125.068 119.914 0.035 0.000 2.547 87 V HA 0.425 4.546 4.120 0.001 0.000 0.299 87 V C 0.340 176.481 176.094 0.079 0.000 1.040 87 V CA -0.449 61.896 62.300 0.074 0.000 0.913 87 V CB 1.549 33.433 31.823 0.101 0.000 0.992 87 V HN 0.358 nan 8.190 nan 0.000 0.449 88 I N 4.956 125.577 120.570 0.085 0.000 2.418 88 I HA 0.402 4.572 4.170 0.001 0.000 0.287 88 I C -0.807 175.330 176.117 0.033 0.000 1.008 88 I CA -0.605 60.736 61.300 0.068 0.000 1.104 88 I CB 1.819 39.876 38.000 0.095 0.000 1.264 88 I HN 0.425 nan 8.210 nan 0.000 0.438 89 L N 8.292 129.488 121.223 -0.045 0.000 2.289 89 L HA 0.576 4.917 4.340 0.001 0.000 0.285 89 L C -0.808 175.952 176.870 -0.184 0.000 1.049 89 L CA -0.164 54.594 54.840 -0.136 0.000 0.804 89 L CB 1.526 43.391 42.059 -0.322 0.000 1.195 89 L HN 0.344 nan 8.230 nan 0.000 0.428 90 V N 4.451 124.254 119.914 -0.185 0.000 2.349 90 V HA 0.297 4.418 4.120 0.001 0.000 0.284 90 V C -0.894 175.050 176.094 -0.250 0.000 1.014 90 V CA -0.601 61.535 62.300 -0.273 0.000 0.826 90 V CB 1.298 32.858 31.823 -0.439 0.000 1.009 90 V HN 0.775 nan 8.190 nan 0.000 0.431 91 D N 4.072 124.348 120.400 -0.208 0.000 2.428 91 D HA 0.210 4.850 4.640 0.001 0.000 0.221 91 D C 0.508 176.766 176.300 -0.069 0.000 1.123 91 D CA -0.200 53.738 54.000 -0.103 0.000 0.869 91 D CB 0.714 41.514 40.800 0.000 0.000 1.032 91 D HN 0.372 nan 8.370 nan 0.000 0.506 92 N N 2.659 121.305 118.700 -0.090 0.000 2.327 92 N HA 0.051 4.792 4.740 0.001 0.000 0.231 92 N C 0.278 175.789 175.510 0.001 0.000 1.130 92 N CA 0.013 53.023 53.050 -0.066 0.000 0.845 92 N CB 0.536 38.962 38.487 -0.101 0.000 1.073 92 N HN 0.576 nan 8.380 nan 0.000 0.496 93 T N -2.739 111.833 114.554 0.030 0.000 2.893 93 T HA 0.400 4.751 4.350 0.001 0.000 0.281 93 T C 1.010 175.750 174.700 0.068 0.000 1.027 93 T CA -0.499 61.630 62.100 0.048 0.000 0.953 93 T CB 1.280 70.182 68.868 0.056 0.000 1.434 93 T HN 0.005 nan 8.240 nan 0.000 0.597 94 S N -1.175 114.563 115.700 0.065 0.000 3.031 94 S HA 0.291 4.762 4.470 0.001 0.000 0.253 94 S C 0.364 174.998 174.600 0.056 0.000 0.996 94 S CA -0.307 57.933 58.200 0.067 0.000 1.098 94 S CB -0.296 62.939 63.200 0.059 0.000 1.042 94 S HN 0.832 nan 8.310 nan 0.000 0.593 95 S N 1.232 116.970 115.700 0.064 0.000 2.516 95 S HA 0.579 5.050 4.470 0.001 0.000 0.282 95 S C 1.370 176.003 174.600 0.055 0.000 1.286 95 S CA 0.114 58.359 58.200 0.076 0.000 1.066 95 S CB 0.786 64.056 63.200 0.116 0.000 0.884 95 S HN 0.717 nan 8.310 nan 0.000 0.491 96 A N 5.220 128.076 122.820 0.061 0.000 2.014 96 A HA 0.052 4.373 4.320 0.001 0.000 0.218 96 A C 1.676 179.308 177.584 0.081 0.000 1.163 96 A CA 0.895 52.946 52.037 0.023 0.000 0.652 96 A CB -0.817 18.201 19.000 0.029 0.000 0.808 96 A HN 1.001 nan 8.150 nan 0.000 0.449 97 Y N 1.217 121.536 120.300 0.032 0.000 2.089 97 Y HA -0.233 4.317 4.550 0.001 0.000 0.282 97 Y C 2.100 178.119 175.900 0.198 0.000 1.139 97 Y CA 1.789 59.960 58.100 0.119 0.000 1.123 97 Y CB -0.241 38.276 38.460 0.096 0.000 0.980 97 Y HN 0.245 nan 8.280 nan 0.000 0.493 98 I N 0.626 121.281 120.570 0.142 0.000 2.118 98 I HA -0.384 3.787 4.170 0.001 0.000 0.241 98 I C 2.695 178.820 176.117 0.012 0.000 1.070 98 I CA 1.717 63.060 61.300 0.071 0.000 1.327 98 I CB -2.142 35.929 38.000 0.119 0.000 1.034 98 I HN 0.366 nan 8.210 nan 0.000 0.405 99 A N 1.334 123.989 122.820 -0.275 0.000 1.927 99 A HA -0.192 4.128 4.320 0.001 0.000 0.220 99 A C 2.482 179.769 177.584 -0.495 0.000 1.185 99 A CA 2.198 53.719 52.037 -0.859 0.000 0.639 99 A CB -1.534 17.089 19.000 -0.628 0.000 0.820 99 A HN 0.486 nan 8.150 nan 0.000 0.451 100 G N -2.386 106.302 108.800 -0.186 0.000 2.527 100 G HA2 -0.102 3.858 3.960 0.001 0.000 0.219 100 G HA3 -0.102 3.858 3.960 0.001 0.000 0.219 100 G C 0.964 175.761 174.900 -0.171 0.000 1.117 100 G CA 0.994 45.989 45.100 -0.176 0.000 0.759 100 G HN 0.473 nan 8.290 nan 0.000 0.556 101 F N -1.498 118.400 119.950 -0.086 0.000 2.704 101 F HA 0.340 4.867 4.527 0.001 0.000 0.304 101 F C 1.987 178.033 175.800 0.409 0.000 1.094 101 F CA -1.013 57.037 58.000 0.083 0.000 1.275 101 F CB -0.085 38.991 39.000 0.126 0.000 1.073 101 F HN 0.157 nan 8.300 nan 0.000 0.586 102 Y N 0.224 120.704 120.300 0.300 0.000 2.114 102 Y HA -0.350 4.201 4.550 0.001 0.000 0.282 102 Y C 2.571 178.558 175.900 0.144 0.000 1.165 102 Y CA 1.301 59.529 58.100 0.213 0.000 1.148 102 Y CB -0.831 37.593 38.460 -0.061 0.000 0.972 102 Y HN -0.046 nan 8.280 nan 0.000 0.504 103 T N 0.301 114.960 114.554 0.175 0.000 2.592 103 T HA -0.284 4.067 4.350 0.001 0.000 0.267 103 T C 1.675 176.402 174.700 0.045 0.000 1.060 103 T CA 2.116 64.237 62.100 0.035 0.000 1.167 103 T CB -0.343 68.494 68.868 -0.052 0.000 0.863 103 T HN 0.319 nan 8.240 nan 0.000 0.431 104 K N -0.068 120.348 120.400 0.027 0.000 2.063 104 K HA -0.067 4.253 4.320 0.001 0.000 0.208 104 K C 2.071 178.655 176.600 -0.026 0.000 1.048 104 K CA 1.481 57.740 56.287 -0.046 0.000 0.928 104 K CB -0.413 32.013 32.500 -0.124 0.000 0.713 104 K HN 0.290 nan 8.250 nan 0.000 0.442 105 F N 0.772 120.759 119.950 0.062 0.000 2.046 105 F HA -0.283 4.245 4.527 0.001 0.000 0.297 105 F C 2.432 178.227 175.800 -0.010 0.000 1.123 105 F CA 1.170 59.190 58.000 0.034 0.000 1.199 105 F CB -0.808 38.208 39.000 0.027 0.000 0.972 105 F HN -0.219 nan 8.300 nan 0.000 0.474 106 V N 0.167 120.200 119.914 0.198 0.000 2.252 106 V HA -0.301 3.820 4.120 0.001 0.000 0.249 106 V C 2.243 178.341 176.094 0.008 0.000 1.056 106 V CA 2.085 64.420 62.300 0.058 0.000 1.022 106 V CB -0.620 31.210 31.823 0.012 0.000 0.641 106 V HN 0.331 nan 8.190 nan 0.000 0.445 107 E N 0.353 120.553 120.200 0.001 0.000 2.333 107 E HA -0.183 4.168 4.350 0.001 0.000 0.200 107 E C 0.994 177.576 176.600 -0.029 0.000 1.010 107 E CA 0.993 57.376 56.400 -0.028 0.000 0.841 107 E CB -0.429 29.249 29.700 -0.036 0.000 0.757 107 E HN 0.722 nan 8.360 nan 0.000 0.508 108 N N -0.098 118.595 118.700 -0.012 0.000 2.535 108 N HA 0.154 4.894 4.740 0.001 0.000 0.294 108 N C 0.255 175.761 175.510 -0.006 0.000 1.408 108 N CA 0.143 53.182 53.050 -0.018 0.000 0.927 108 N CB 1.214 39.685 38.487 -0.026 0.000 1.276 108 N HN 0.045 nan 8.380 nan 0.000 0.505 109 G N 1.548 110.334 108.800 -0.024 0.000 2.321 109 G HA2 -0.283 3.677 3.960 0.001 0.000 0.287 109 G HA3 -0.283 3.677 3.960 0.001 0.000 0.287 109 G C 0.000 174.902 174.900 0.003 0.000 1.018 109 G CA 0.303 45.381 45.100 -0.036 0.000 0.855 109 G HN 0.443 nan 8.290 nan 0.000 0.507 110 I N 1.003 121.604 120.570 0.052 0.000 2.362 110 I HA 0.282 4.453 4.170 0.001 0.000 0.289 110 I C 0.505 176.665 176.117 0.073 0.000 0.994 110 I CA -0.596 60.763 61.300 0.099 0.000 1.158 110 I CB 1.713 39.849 38.000 0.227 0.000 1.315 110 I HN 0.056 nan 8.210 nan 0.000 0.451 111 S N 6.752 122.488 115.700 0.061 0.000 2.601 111 S HA 0.605 5.075 4.470 0.001 0.000 0.271 111 S C -0.150 174.455 174.600 0.007 0.000 1.305 111 S CA -0.383 57.862 58.200 0.076 0.000 1.022 111 S CB 1.173 64.474 63.200 0.168 0.000 0.940 111 S HN 0.354 nan 8.310 nan 0.000 0.525 112 I N 1.263 121.840 120.570 0.013 0.000 2.498 112 I HA 0.623 4.793 4.170 0.001 0.000 0.290 112 I C -0.413 175.721 176.117 0.028 0.000 1.032 112 I CA -0.810 60.426 61.300 -0.105 0.000 1.073 112 I CB 1.883 39.678 38.000 -0.343 0.000 1.251 112 I HN 0.624 nan 8.210 nan 0.000 0.426 113 A N 3.837 126.634 122.820 -0.038 0.000 2.343 113 A HA 0.858 5.178 4.320 0.001 0.000 0.308 113 A C -0.538 177.008 177.584 -0.064 0.000 1.092 113 A CA -0.543 51.499 52.037 0.009 0.000 0.751 113 A CB 1.793 20.771 19.000 -0.038 0.000 1.203 113 A HN 0.680 nan 8.150 nan 0.000 0.452 114 T N 2.601 117.174 114.554 0.032 0.000 2.886 114 T HA 0.651 5.002 4.350 0.001 0.000 0.330 114 T C -2.757 172.008 174.700 0.109 0.000 1.488 114 T CA -0.754 61.370 62.100 0.040 0.000 1.054 114 T CB 2.127 71.072 68.868 0.129 0.000 1.348 114 T HN 0.302 nan 8.240 nan 0.000 0.489 115 P HA 0.193 nan 4.420 nan 0.000 0.267 115 P C 0.014 177.409 177.300 0.158 0.000 1.289 115 P CA -0.181 62.976 63.100 0.096 0.000 0.866 115 P CB 0.164 31.889 31.700 0.041 0.000 1.309 116 N N 1.548 120.379 118.700 0.220 0.000 2.475 116 N HA 0.029 4.770 4.740 0.001 0.000 0.267 116 N C 0.865 176.594 175.510 0.364 0.000 1.169 116 N CA 0.373 53.572 53.050 0.249 0.000 0.947 116 N CB 0.787 39.429 38.487 0.259 0.000 1.061 116 N HN -0.034 nan 8.380 nan 0.000 0.466 117 K N 2.690 123.252 120.400 0.269 0.000 2.323 117 K HA 0.068 4.389 4.320 0.001 0.000 0.197 117 K C 1.374 178.118 176.600 0.239 0.000 1.043 117 K CA 0.018 56.496 56.287 0.319 0.000 0.997 117 K CB 0.335 32.956 32.500 0.202 0.000 0.807 117 K HN 0.406 nan 8.250 nan 0.000 0.497 118 K N 1.340 121.800 120.400 0.100 0.000 2.071 118 K HA -0.221 4.099 4.320 0.001 0.000 0.217 118 K C 2.139 178.663 176.600 -0.128 0.000 1.054 118 K CA 2.015 58.292 56.287 -0.017 0.000 0.937 118 K CB -0.623 31.838 32.500 -0.064 0.000 0.719 118 K HN 0.186 nan 8.250 nan 0.000 0.454 119 A N 0.176 122.790 122.820 -0.344 0.000 2.015 119 A HA -0.079 4.241 4.320 0.001 0.000 0.219 119 A C 1.788 179.040 177.584 -0.553 0.000 1.163 119 A CA 1.191 52.850 52.037 -0.630 0.000 0.646 119 A CB -0.505 17.832 19.000 -1.105 0.000 0.806 119 A HN 0.291 nan 8.150 nan 0.000 0.448 120 F N -0.413 119.591 119.950 0.090 0.000 2.731 120 F HA 0.128 4.656 4.527 0.001 0.000 0.298 120 F C 1.805 177.684 175.800 0.131 0.000 1.106 120 F CA 0.664 58.820 58.000 0.260 0.000 1.329 120 F CB 0.234 39.353 39.000 0.199 0.000 1.100 120 F HN 0.189 nan 8.300 nan 0.000 0.592 121 S N -2.083 113.733 115.700 0.193 0.000 2.651 121 S HA 0.349 4.820 4.470 0.001 0.000 0.246 121 S C 0.483 175.105 174.600 0.036 0.000 1.039 121 S CA 0.011 58.266 58.200 0.093 0.000 1.013 121 S CB 0.094 63.356 63.200 0.104 0.000 0.861 121 S HN 0.130 nan 8.310 nan 0.000 0.485 122 S N 1.219 116.928 115.700 0.015 0.000 4.359 122 S HA 0.370 4.841 4.470 0.001 0.000 0.202 122 S C -0.273 174.321 174.600 -0.010 0.000 1.078 122 S CA -0.077 58.116 58.200 -0.012 0.000 1.776 122 S CB 0.039 63.214 63.200 -0.042 0.000 0.891 122 S HN 0.532 nan 8.310 nan 0.000 0.780 123 D N 0.509 120.899 120.400 -0.016 0.000 2.364 123 D HA 0.062 4.702 4.640 0.001 0.000 0.236 123 D C 0.778 177.096 176.300 0.031 0.000 1.221 123 D CA 0.067 54.065 54.000 -0.004 0.000 0.891 123 D CB 0.461 41.251 40.800 -0.017 0.000 1.190 123 D HN 0.272 nan 8.370 nan 0.000 0.449 124 L N 2.451 123.697 121.223 0.037 0.000 2.416 124 L HA 0.352 4.692 4.340 0.001 0.000 0.216 124 L C 1.816 178.782 176.870 0.160 0.000 1.098 124 L CA 1.453 56.339 54.840 0.076 0.000 0.840 124 L CB -0.617 41.459 42.059 0.028 0.000 0.981 124 L HN 0.565 nan 8.230 nan 0.000 0.462 125 A N -1.290 121.584 122.820 0.090 0.000 1.930 125 A HA -0.058 4.262 4.320 0.001 0.000 0.215 125 A C 2.110 179.728 177.584 0.057 0.000 1.176 125 A CA 1.617 53.699 52.037 0.076 0.000 0.632 125 A CB -0.965 18.051 19.000 0.028 0.000 0.819 125 A HN 0.415 nan 8.150 nan 0.000 0.445 126 T N -0.808 113.762 114.554 0.027 0.000 2.778 126 T HA -0.212 4.139 4.350 0.001 0.000 0.269 126 T C 1.577 176.257 174.700 -0.034 0.000 1.050 126 T CA 1.371 63.448 62.100 -0.039 0.000 1.137 126 T CB -0.341 68.485 68.868 -0.070 0.000 0.860 126 T HN 0.745 nan 8.240 nan 0.000 0.468 127 W N 2.129 123.358 121.300 -0.119 0.000 2.441 127 W HA 0.000 4.661 4.660 0.001 0.000 0.302 127 W C 1.609 178.105 176.519 -0.037 0.000 1.191 127 W CA 0.753 58.052 57.345 -0.077 0.000 1.327 127 W CB -0.180 29.322 29.460 0.070 0.000 1.128 127 W HN 0.200 nan 8.180 nan 0.000 0.522 128 K N 0.431 120.954 120.400 0.204 0.000 2.288 128 K HA -0.054 4.267 4.320 0.001 0.000 0.201 128 K C 2.258 178.825 176.600 -0.056 0.000 1.048 128 K CA 0.968 57.312 56.287 0.094 0.000 0.956 128 K CB -0.279 32.329 32.500 0.180 0.000 0.746 128 K HN 0.074 nan 8.250 nan 0.000 0.461 129 A N 2.072 124.835 122.820 -0.096 0.000 1.845 129 A HA -0.149 4.172 4.320 0.001 0.000 0.215 129 A C 2.173 179.628 177.584 -0.214 0.000 1.195 129 A CA 1.224 53.187 52.037 -0.123 0.000 0.616 129 A CB -0.752 18.180 19.000 -0.114 0.000 0.832 129 A HN 0.129 nan 8.150 nan 0.000 0.443 130 L N -1.669 119.310 121.223 -0.407 0.000 1.990 130 L HA -0.174 4.167 4.340 0.001 0.000 0.213 130 L C 1.050 177.617 176.870 -0.506 0.000 1.072 130 L CA 1.117 55.607 54.840 -0.584 0.000 0.755 130 L CB -0.748 40.659 42.059 -1.087 0.000 0.889 130 L HN 0.405 nan 8.230 nan 0.000 0.432 131 F N 0.938 120.753 119.950 -0.225 0.000 2.669 131 F HA 0.154 4.681 4.527 0.001 0.000 0.353 131 F C 0.919 176.649 175.800 -0.117 0.000 1.192 131 F CA -0.863 57.015 58.000 -0.203 0.000 1.317 131 F CB -0.369 38.419 39.000 -0.353 0.000 1.652 131 F HN 0.023 nan 8.300 nan 0.000 0.608 132 S N -0.695 115.027 115.700 0.038 0.000 2.664 132 S HA 0.333 4.804 4.470 0.001 0.000 0.304 132 S C -0.087 174.531 174.600 0.029 0.000 1.099 132 S CA -1.029 57.186 58.200 0.024 0.000 1.003 132 S CB 1.885 65.078 63.200 -0.011 0.000 1.092 132 S HN 0.345 nan 8.310 nan 0.000 0.525 133 N N 1.450 120.164 118.700 0.023 0.000 3.025 133 N HA 0.125 4.865 4.740 0.001 0.000 0.315 133 N C -0.784 174.725 175.510 -0.001 0.000 1.511 133 N CA -0.238 52.824 53.050 0.020 0.000 1.097 133 N CB 0.010 38.515 38.487 0.030 0.000 1.395 133 N HN 0.475 nan 8.380 nan 0.000 0.511 134 K N 0.911 121.300 120.400 -0.019 0.000 2.414 134 K HA 0.106 4.427 4.320 0.001 0.000 0.272 134 K C -1.597 174.980 176.600 -0.038 0.000 0.993 134 K CA -1.053 55.216 56.287 -0.030 0.000 0.964 134 K CB 0.718 33.192 32.500 -0.043 0.000 0.925 134 K HN 0.252 nan 8.250 nan 0.000 0.487 135 P HA 0.046 nan 4.420 nan 0.000 0.255 135 P C 0.276 177.543 177.300 -0.055 0.000 1.248 135 P CA 0.479 63.559 63.100 -0.033 0.000 0.807 135 P CB 0.525 32.216 31.700 -0.015 0.000 1.150 136 T N -1.082 113.430 114.554 -0.070 0.000 3.026 136 T HA 0.024 4.375 4.350 0.001 0.000 0.245 136 T C 0.753 175.379 174.700 -0.123 0.000 1.004 136 T CA -0.098 61.954 62.100 -0.081 0.000 1.069 136 T CB -0.601 68.234 68.868 -0.056 0.000 1.005 136 T HN 0.235 nan 8.240 nan 0.000 0.472 137 N N 2.733 121.360 118.700 -0.121 0.000 2.237 137 N HA 0.138 4.878 4.740 0.001 0.000 0.245 137 N C 0.575 175.932 175.510 -0.255 0.000 1.239 137 N CA 0.262 53.229 53.050 -0.137 0.000 0.842 137 N CB 0.012 38.437 38.487 -0.103 0.000 1.089 137 N HN 0.289 nan 8.380 nan 0.000 0.454 138 G N -0.012 108.675 108.800 -0.190 0.000 2.716 138 G HA2 0.350 4.311 3.960 0.001 0.000 0.251 138 G HA3 0.350 4.311 3.960 0.001 0.000 0.251 138 G C -0.484 174.227 174.900 -0.314 0.000 1.224 138 G CA -0.621 44.335 45.100 -0.239 0.000 0.891 138 G HN 0.511 nan 8.290 nan 0.000 0.561 139 F N -1.544 118.479 119.950 0.121 0.000 2.380 139 F HA 0.512 5.040 4.527 0.002 0.000 0.321 139 F C 0.488 176.426 175.800 0.230 0.000 1.103 139 F CA -0.501 57.622 58.000 0.205 0.000 1.067 139 F CB 1.938 41.129 39.000 0.318 0.000 1.265 139 F HN 0.105 nan 8.300 nan 0.000 0.517 140 V N 1.982 122.178 119.914 0.469 0.000 2.531 140 V HA 0.385 4.506 4.120 0.001 0.000 0.301 140 V C -1.355 174.958 176.094 0.365 0.000 1.034 140 V CA -0.996 61.536 62.300 0.386 0.000 0.865 140 V CB 1.508 33.525 31.823 0.324 0.000 0.995 140 V HN 0.576 nan 8.190 nan 0.000 0.424 141 Y N 4.019 124.459 120.300 0.232 0.000 2.386 141 Y HA 0.542 5.092 4.550 0.001 0.000 0.334 141 Y C 0.432 176.387 175.900 0.091 0.000 1.002 141 Y CA -0.792 57.380 58.100 0.120 0.000 1.068 141 Y CB 1.920 40.405 38.460 0.041 0.000 1.203 141 Y HN 0.799 nan 8.280 nan 0.000 0.443 142 H N 1.801 120.842 119.070 -0.048 0.000 2.716 142 H HA 0.257 4.814 4.556 0.001 0.000 0.230 142 H C 0.455 175.718 175.328 -0.108 0.000 1.401 142 H CA -0.318 55.627 56.048 -0.173 0.000 1.168 142 H CB 0.352 29.669 29.762 -0.741 0.000 1.935 142 H HN 0.683 nan 8.280 nan 0.000 0.538 143 E N 2.531 122.654 120.200 -0.128 0.000 2.049 143 E HA -0.123 4.227 4.350 0.001 0.000 0.198 143 E C 2.145 178.734 176.600 -0.017 0.000 1.007 143 E CA 2.056 58.400 56.400 -0.094 0.000 0.809 143 E CB -0.294 29.398 29.700 -0.014 0.000 0.749 143 E HN 0.614 nan 8.360 nan 0.000 0.450 144 A N -0.238 122.595 122.820 0.022 0.000 2.259 144 A HA -0.112 4.208 4.320 0.001 0.000 0.212 144 A C 2.082 179.714 177.584 0.079 0.000 1.178 144 A CA 1.805 53.871 52.037 0.049 0.000 0.734 144 A CB -1.086 17.940 19.000 0.043 0.000 0.774 144 A HN 0.481 nan 8.150 nan 0.000 0.481 145 T N -4.262 110.350 114.554 0.096 0.000 3.043 145 T HA 0.089 4.440 4.350 0.001 0.000 0.263 145 T C 1.408 176.190 174.700 0.136 0.000 1.094 145 T CA 1.199 63.383 62.100 0.140 0.000 1.127 145 T CB -0.132 68.848 68.868 0.187 0.000 0.905 145 T HN 0.056 nan 8.240 nan 0.000 0.490 146 V N 1.037 121.026 119.914 0.125 0.000 3.355 146 V HA 0.485 4.606 4.120 0.001 0.000 0.210 146 V C 2.165 178.378 176.094 0.199 0.000 1.157 146 V CA 0.529 62.927 62.300 0.164 0.000 1.336 146 V CB -0.815 31.107 31.823 0.164 0.000 1.317 146 V HN 0.479 nan 8.190 nan 0.000 0.503 147 G N -0.724 108.171 108.800 0.159 0.000 3.882 147 G HA2 0.535 4.495 3.960 0.001 0.000 0.283 147 G HA3 0.535 4.495 3.960 0.001 0.000 0.283 147 G C 0.599 175.539 174.900 0.067 0.000 1.283 147 G CA 0.913 46.082 45.100 0.115 0.000 1.402 147 G HN 0.951 nan 8.290 nan 0.000 0.618 148 A N 0.147 123.012 122.820 0.074 0.000 5.483 148 A HA -0.158 4.162 4.320 0.001 0.000 0.309 148 A C 2.285 179.892 177.584 0.037 0.000 1.898 148 A CA 1.712 53.780 52.037 0.052 0.000 0.716 148 A CB -1.344 17.680 19.000 0.040 0.000 1.309 148 A HN 1.571 nan 8.150 nan 0.000 0.380 149 G N -0.824 107.991 108.800 0.025 0.000 2.598 149 G HA2 0.333 4.293 3.960 0.001 0.000 0.215 149 G HA3 0.333 4.293 3.960 0.001 0.000 0.215 149 G C 0.704 175.608 174.900 0.007 0.000 1.131 149 G CA 0.671 45.781 45.100 0.017 0.000 0.785 149 G HN 0.832 nan 8.290 nan 0.000 0.539 150 L N 2.009 123.234 121.223 0.004 0.000 2.578 150 L HA 0.104 4.445 4.340 0.001 0.000 0.279 150 L C -1.386 175.483 176.870 -0.002 0.000 1.227 150 L CA -1.060 53.774 54.840 -0.011 0.000 0.900 150 L CB 0.464 42.513 42.059 -0.017 0.000 1.144 150 L HN 0.031 nan 8.230 nan 0.000 0.496 151 P HA 0.044 nan 4.420 nan 0.000 0.231 151 P C 0.666 177.987 177.300 0.036 0.000 1.756 151 P CA 0.369 63.472 63.100 0.005 0.000 0.990 151 P CB 0.061 31.751 31.700 -0.017 0.000 1.973 152 I N 0.138 120.738 120.570 0.051 0.000 2.385 152 I HA -0.086 4.084 4.170 0.001 0.000 0.244 152 I C 2.454 178.640 176.117 0.116 0.000 1.089 152 I CA 0.628 61.989 61.300 0.101 0.000 1.410 152 I CB -0.177 37.886 38.000 0.105 0.000 1.117 152 I HN -0.006 nan 8.210 nan 0.000 0.429 153 I N 0.733 121.325 120.570 0.036 0.000 2.202 153 I HA -0.269 3.902 4.170 0.001 0.000 0.242 153 I C 2.812 178.910 176.117 -0.031 0.000 1.091 153 I CA 1.640 62.918 61.300 -0.037 0.000 1.368 153 I CB -0.366 37.511 38.000 -0.204 0.000 1.058 153 I HN 0.290 nan 8.210 nan 0.000 0.410 154 S N 1.118 116.819 115.700 0.002 0.000 2.383 154 S HA -0.265 4.205 4.470 0.001 0.000 0.229 154 S C 2.076 176.732 174.600 0.093 0.000 1.030 154 S CA 1.152 59.372 58.200 0.034 0.000 1.002 154 S CB -0.969 62.277 63.200 0.077 0.000 0.829 154 S HN 0.449 nan 8.310 nan 0.000 0.467 155 F N 2.221 122.153 119.950 -0.029 0.000 2.146 155 F HA 0.171 4.698 4.527 0.000 0.000 0.298 155 F C 1.908 177.699 175.800 -0.015 0.000 1.096 155 F CA 0.825 58.813 58.000 -0.019 0.000 1.275 155 F CB -0.489 38.494 39.000 -0.028 0.000 1.008 155 F HN 0.167 nan 8.300 nan 0.000 0.480 156 L N -0.135 121.050 121.223 -0.063 0.000 1.994 156 L HA -0.223 4.118 4.340 0.001 0.000 0.208 156 L C 2.788 179.561 176.870 -0.162 0.000 1.071 156 L CA 1.173 55.920 54.840 -0.155 0.000 0.745 156 L CB -0.717 41.325 42.059 -0.029 0.000 0.892 156 L HN -0.029 nan 8.230 nan 0.000 0.431 157 R N 0.154 120.584 120.500 -0.118 0.000 2.113 157 R HA -0.258 4.082 4.340 0.001 0.000 0.244 157 R C 2.072 178.302 176.300 -0.116 0.000 1.142 157 R CA 1.970 57.994 56.100 -0.126 0.000 0.953 157 R CB -0.822 29.387 30.300 -0.152 0.000 0.860 157 R HN 0.525 nan 8.270 nan 0.000 0.438 158 E N 0.385 120.519 120.200 -0.110 0.000 2.031 158 E HA -0.153 4.198 4.350 0.001 0.000 0.193 158 E C 2.034 178.558 176.600 -0.126 0.000 0.994 158 E CA 0.791 57.138 56.400 -0.089 0.000 0.800 158 E CB 0.049 29.726 29.700 -0.038 0.000 0.752 158 E HN 0.075 nan 8.360 nan 0.000 0.447 159 I N 1.797 122.221 120.570 -0.243 0.000 2.194 159 I HA -0.292 3.879 4.170 0.001 0.000 0.246 159 I C 2.368 178.406 176.117 -0.133 0.000 1.093 159 I CA 1.110 62.267 61.300 -0.238 0.000 1.355 159 I CB -0.943 36.780 38.000 -0.461 0.000 1.046 159 I HN 0.316 nan 8.210 nan 0.000 0.413 160 I N 0.121 120.615 120.570 -0.126 0.000 2.179 160 I HA -0.289 3.882 4.170 0.001 0.000 0.242 160 I C 2.500 178.583 176.117 -0.057 0.000 1.088 160 I CA 1.302 62.556 61.300 -0.076 0.000 1.357 160 I CB -1.393 36.566 38.000 -0.067 0.000 1.051 160 I HN 0.346 nan 8.210 nan 0.000 0.409 161 Q N 0.475 120.238 119.800 -0.061 0.000 2.112 161 Q HA -0.226 4.114 4.340 0.001 0.000 0.206 161 Q C 2.161 178.142 176.000 -0.031 0.000 0.987 161 Q CA 2.732 58.511 55.803 -0.041 0.000 0.858 161 Q CB -0.209 28.505 28.738 -0.040 0.000 0.905 161 Q HN 0.696 nan 8.270 nan 0.000 0.420 162 T N -4.124 110.408 114.554 -0.036 0.000 3.072 162 T HA 0.091 4.441 4.350 0.001 0.000 0.266 162 T C 1.267 175.952 174.700 -0.025 0.000 1.127 162 T CA 0.926 63.010 62.100 -0.026 0.000 1.107 162 T CB 0.372 69.225 68.868 -0.025 0.000 0.910 162 T HN 0.482 nan 8.240 nan 0.000 0.513 163 G N 0.386 109.169 108.800 -0.029 0.000 2.205 163 G HA2 -0.137 3.823 3.960 0.001 0.000 0.180 163 G HA3 -0.137 3.823 3.960 0.001 0.000 0.180 163 G C -0.263 174.623 174.900 -0.023 0.000 1.004 163 G CA -0.058 45.028 45.100 -0.023 0.000 0.670 163 G HN 0.652 nan 8.290 nan 0.000 0.496 164 D N 1.015 121.397 120.400 -0.029 0.000 2.360 164 D HA 0.529 5.170 4.640 0.001 0.000 0.242 164 D C 0.245 176.536 176.300 -0.014 0.000 1.184 164 D CA 0.226 54.214 54.000 -0.019 0.000 0.930 164 D CB 0.601 41.395 40.800 -0.010 0.000 1.161 164 D HN 0.417 nan 8.370 nan 0.000 0.447 165 E N 0.499 120.699 120.200 0.001 0.000 2.246 165 E HA 0.342 4.693 4.350 0.001 0.000 0.266 165 E C -0.780 175.830 176.600 0.016 0.000 0.880 165 E CA -0.930 55.472 56.400 0.003 0.000 0.762 165 E CB 2.049 31.752 29.700 0.004 0.000 1.180 165 E HN 0.138 nan 8.360 nan 0.000 0.416 166 V N 2.707 122.627 119.914 0.011 0.000 2.715 166 V HA 0.011 4.132 4.120 0.001 0.000 0.299 166 V C 0.849 176.957 176.094 0.023 0.000 1.054 166 V CA 0.397 62.711 62.300 0.022 0.000 1.077 166 V CB 0.837 32.670 31.823 0.016 0.000 0.972 166 V HN 0.830 nan 8.190 nan 0.000 0.484 167 E N 2.159 122.378 120.200 0.033 0.000 2.378 167 E HA 0.232 4.583 4.350 0.001 0.000 0.200 167 E C 0.387 177.001 176.600 0.023 0.000 0.882 167 E CA -0.110 56.305 56.400 0.025 0.000 1.061 167 E CB 0.881 30.599 29.700 0.030 0.000 1.049 167 E HN 0.609 nan 8.360 nan 0.000 0.494 168 K N 1.032 121.454 120.400 0.036 0.000 2.498 168 K HA 0.486 4.806 4.320 0.001 0.000 0.254 168 K C -1.814 174.824 176.600 0.063 0.000 0.933 168 K CA -0.376 55.933 56.287 0.038 0.000 0.806 168 K CB 1.795 34.315 32.500 0.034 0.000 1.301 168 K HN -0.052 nan 8.250 nan 0.000 0.432 169 I N 2.754 123.367 120.570 0.073 0.000 2.499 169 I HA 0.298 4.469 4.170 0.001 0.000 0.288 169 I C -0.896 175.319 176.117 0.164 0.000 1.048 169 I CA -0.647 60.727 61.300 0.123 0.000 1.062 169 I CB 2.296 40.373 38.000 0.128 0.000 1.238 169 I HN 0.621 nan 8.210 nan 0.000 0.426 170 E N 3.383 123.716 120.200 0.221 0.000 2.238 170 E HA 0.797 5.147 4.350 0.001 0.000 0.267 170 E C -0.645 176.161 176.600 0.343 0.000 0.887 170 E CA -0.710 55.865 56.400 0.292 0.000 0.769 170 E CB 2.815 32.673 29.700 0.264 0.000 1.187 170 E HN 0.787 nan 8.360 nan 0.000 0.416 171 G N 1.802 110.767 108.800 0.276 0.000 2.667 171 G HA2 0.438 4.399 3.960 0.001 0.000 0.294 171 G HA3 0.438 4.399 3.960 0.001 0.000 0.294 171 G C -1.430 173.186 174.900 -0.474 0.000 1.467 171 G CA -0.695 44.217 45.100 -0.313 0.000 0.852 171 G HN 0.423 nan 8.290 nan 0.000 0.521 172 I N 1.476 121.590 120.570 -0.761 0.000 2.371 172 I HA 0.287 4.457 4.170 0.001 0.000 0.282 172 I C -0.394 175.453 176.117 -0.450 0.000 1.031 172 I CA -0.514 60.548 61.300 -0.396 0.000 1.180 172 I CB 0.881 38.652 38.000 -0.381 0.000 1.336 172 I HN 0.402 nan 8.210 nan 0.000 0.467 173 F N 3.210 123.192 119.950 0.054 0.000 2.668 173 F HA 0.241 4.769 4.527 0.001 0.000 0.297 173 F C 1.025 176.884 175.800 0.099 0.000 1.124 173 F CA -0.223 57.819 58.000 0.069 0.000 1.353 173 F CB 0.361 39.411 39.000 0.083 0.000 0.992 173 F HN 0.305 nan 8.300 nan 0.000 0.524 174 S N -0.375 115.465 115.700 0.233 0.000 2.672 174 S HA 0.536 5.007 4.470 0.001 0.000 0.291 174 S C 1.036 175.730 174.600 0.157 0.000 1.145 174 S CA -0.241 58.078 58.200 0.198 0.000 1.013 174 S CB 1.111 64.439 63.200 0.214 0.000 1.017 174 S HN 0.319 nan 8.310 nan 0.000 0.487 175 G N 3.153 112.031 108.800 0.130 0.000 2.459 175 G HA2 -0.165 3.796 3.960 0.001 0.000 0.217 175 G HA3 -0.165 3.796 3.960 0.001 0.000 0.217 175 G C 1.243 176.263 174.900 0.201 0.000 1.183 175 G CA 1.739 46.919 45.100 0.134 0.000 0.776 175 G HN 0.715 nan 8.290 nan 0.000 0.552 176 T N 1.608 116.269 114.554 0.179 0.000 2.607 176 T HA -0.125 4.226 4.350 0.001 0.000 0.267 176 T C 2.420 177.263 174.700 0.238 0.000 1.049 176 T CA 1.343 63.566 62.100 0.204 0.000 1.162 176 T CB -0.389 68.558 68.868 0.132 0.000 0.863 176 T HN 0.145 nan 8.240 nan 0.000 0.424 177 L N 0.840 122.185 121.223 0.202 0.000 2.131 177 L HA -0.098 4.243 4.340 0.001 0.000 0.210 177 L C 2.878 179.976 176.870 0.381 0.000 1.092 177 L CA 0.949 55.951 54.840 0.269 0.000 0.759 177 L CB -0.601 41.545 42.059 0.144 0.000 0.903 177 L HN 0.295 nan 8.230 nan 0.000 0.435 178 S N -0.598 115.272 115.700 0.284 0.000 2.345 178 S HA -0.255 4.216 4.470 0.001 0.000 0.220 178 S C 2.072 176.836 174.600 0.273 0.000 1.031 178 S CA 1.196 59.541 58.200 0.242 0.000 0.996 178 S CB -0.362 62.926 63.200 0.147 0.000 0.882 178 S HN 0.474 nan 8.310 nan 0.000 0.445 179 Y N 2.115 122.509 120.300 0.156 0.000 2.097 179 Y HA -0.151 4.400 4.550 0.001 0.000 0.282 179 Y C 1.980 177.924 175.900 0.073 0.000 1.152 179 Y CA 1.948 60.112 58.100 0.107 0.000 1.136 179 Y CB -0.695 37.831 38.460 0.110 0.000 0.975 179 Y HN 0.304 nan 8.280 nan 0.000 0.498 180 I N -0.754 119.864 120.570 0.081 0.000 2.087 180 I HA -0.404 3.767 4.170 0.001 0.000 0.240 180 I C 2.154 178.222 176.117 -0.081 0.000 1.054 180 I CA 2.044 63.275 61.300 -0.116 0.000 1.311 180 I CB -0.656 37.292 38.000 -0.086 0.000 1.024 180 I HN 0.175 nan 8.210 nan 0.000 0.402 181 F N 0.834 120.864 119.950 0.133 0.000 2.293 181 F HA -0.148 4.380 4.527 0.001 0.000 0.300 181 F C 2.327 178.207 175.800 0.133 0.000 1.086 181 F CA 1.069 59.212 58.000 0.238 0.000 1.375 181 F CB -0.538 38.627 39.000 0.276 0.000 1.045 181 F HN 0.135 nan 8.300 nan 0.000 0.516 182 N N -0.011 118.793 118.700 0.174 0.000 2.331 182 N HA -0.116 4.625 4.740 0.001 0.000 0.180 182 N C 1.730 177.218 175.510 -0.037 0.000 1.019 182 N CA 0.930 54.020 53.050 0.067 0.000 0.881 182 N CB -0.145 38.358 38.487 0.026 0.000 0.972 182 N HN 0.304 nan 8.380 nan 0.000 0.435 183 E N -0.237 119.868 120.200 -0.159 0.000 2.140 183 E HA -0.026 4.325 4.350 0.001 0.000 0.191 183 E C 1.607 178.186 176.600 -0.034 0.000 0.973 183 E CA 0.191 56.469 56.400 -0.203 0.000 0.829 183 E CB -0.319 29.101 29.700 -0.467 0.000 0.781 183 E HN 0.269 nan 8.360 nan 0.000 0.466 184 F N 1.657 121.514 119.950 -0.156 0.000 2.128 184 F HA 0.048 4.575 4.527 0.001 0.000 0.295 184 F C 1.112 176.909 175.800 -0.004 0.000 1.100 184 F CA 0.813 58.758 58.000 -0.091 0.000 1.260 184 F CB 0.138 39.061 39.000 -0.129 0.000 1.009 184 F HN -0.258 nan 8.300 nan 0.000 0.476 185 S N 0.231 115.911 115.700 -0.032 0.000 2.474 185 S HA 0.577 5.048 4.470 0.001 0.000 0.321 185 S C -0.304 174.311 174.600 0.025 0.000 1.080 185 S CA -0.016 58.132 58.200 -0.087 0.000 1.106 185 S CB 0.231 63.490 63.200 0.098 0.000 0.984 185 S HN 0.530 nan 8.310 nan 0.000 0.464 186 T N 0.652 115.188 114.554 -0.030 0.000 2.669 186 T HA 0.466 4.817 4.350 0.001 0.000 0.283 186 T C 1.020 175.647 174.700 -0.121 0.000 1.019 186 T CA 0.014 62.085 62.100 -0.048 0.000 1.039 186 T CB 0.694 69.511 68.868 -0.085 0.000 1.374 186 T HN 0.501 nan 8.240 nan 0.000 0.523 187 S N -0.903 114.567 115.700 -0.384 0.000 2.528 187 S HA 0.036 4.507 4.470 0.001 0.000 0.219 187 S C 1.731 176.109 174.600 -0.369 0.000 0.985 187 S CA 0.142 57.801 58.200 -0.901 0.000 0.914 187 S CB -0.402 61.953 63.200 -1.408 0.000 0.776 187 S HN 0.549 nan 8.310 nan 0.000 0.526 188 Q N 1.843 121.517 119.800 -0.210 0.000 2.297 188 Q HA 0.415 4.755 4.340 0.001 0.000 0.204 188 Q C 0.732 176.691 176.000 -0.068 0.000 0.962 188 Q CA 0.648 56.382 55.803 -0.116 0.000 0.879 188 Q CB -0.805 27.878 28.738 -0.093 0.000 0.947 188 Q HN 0.761 nan 8.270 nan 0.000 0.462 189 A N 1.878 124.661 122.820 -0.061 0.000 1.900 189 A HA -0.247 4.073 4.320 0.001 0.000 0.251 189 A C 0.208 177.764 177.584 -0.048 0.000 1.334 189 A CA 0.783 52.795 52.037 -0.041 0.000 0.728 189 A CB -2.087 16.917 19.000 0.007 0.000 1.197 189 A HN 0.679 nan 8.150 nan 0.000 0.278 190 N N 0.689 119.348 118.700 -0.069 0.000 2.645 190 N HA 0.538 5.279 4.740 0.001 0.000 0.308 190 N C 0.332 175.819 175.510 -0.038 0.000 1.335 190 N CA -0.046 52.977 53.050 -0.046 0.000 0.909 190 N CB 0.533 38.994 38.487 -0.043 0.000 1.109 190 N HN 0.523 nan 8.380 nan 0.000 0.555 191 D N -1.159 119.235 120.400 -0.011 0.000 2.500 191 D HA 0.079 4.720 4.640 0.001 0.000 0.217 191 D C 0.081 176.418 176.300 0.061 0.000 1.159 191 D CA -0.359 53.651 54.000 0.017 0.000 0.828 191 D CB -0.423 40.389 40.800 0.020 0.000 1.039 191 D HN 0.204 nan 8.370 nan 0.000 0.512 192 V N 1.493 121.441 119.914 0.057 0.000 2.780 192 V HA -0.135 3.985 4.120 0.001 0.000 0.301 192 V C 0.806 177.070 176.094 0.284 0.000 1.168 192 V CA 0.581 62.954 62.300 0.121 0.000 1.305 192 V CB -0.136 31.752 31.823 0.109 0.000 0.858 192 V HN 0.108 nan 8.190 nan 0.000 0.502 193 K N 4.174 124.695 120.400 0.202 0.000 2.130 193 K HA 0.294 4.615 4.320 0.001 0.000 0.268 193 K C 0.611 177.235 176.600 0.040 0.000 0.983 193 K CA -0.609 55.795 56.287 0.196 0.000 0.893 193 K CB 1.013 33.564 32.500 0.085 0.000 1.066 193 K HN 0.471 nan 8.250 nan 0.000 0.450 194 F N 2.200 121.923 119.950 -0.377 0.000 2.043 194 F HA -0.304 4.224 4.527 0.001 0.000 0.297 194 F C 2.129 177.721 175.800 -0.345 0.000 1.121 194 F CA 1.987 59.559 58.000 -0.715 0.000 1.199 194 F CB -0.293 38.257 39.000 -0.751 0.000 0.968 194 F HN 0.595 nan 8.300 nan 0.000 0.478 195 S N 0.278 115.892 115.700 -0.144 0.000 2.381 195 S HA -0.286 4.184 4.470 0.001 0.000 0.230 195 S C 1.674 176.145 174.600 -0.215 0.000 1.052 195 S CA 1.667 59.757 58.200 -0.183 0.000 1.068 195 S CB -0.636 62.517 63.200 -0.077 0.000 0.918 195 S HN 0.484 nan 8.310 nan 0.000 0.448 196 D N 0.835 121.145 120.400 -0.149 0.000 2.087 196 D HA -0.116 4.524 4.640 0.001 0.000 0.192 196 D C 2.344 178.547 176.300 -0.163 0.000 0.993 196 D CA 1.761 55.691 54.000 -0.117 0.000 0.828 196 D CB -1.023 39.742 40.800 -0.057 0.000 0.968 196 D HN 0.445 nan 8.370 nan 0.000 0.448 197 V N 0.571 120.355 119.914 -0.218 0.000 2.282 197 V HA -0.249 3.872 4.120 0.001 0.000 0.249 197 V C 2.666 178.609 176.094 -0.253 0.000 1.057 197 V CA 2.616 64.774 62.300 -0.237 0.000 1.032 197 V CB -1.570 30.071 31.823 -0.303 0.000 0.645 197 V HN 0.178 nan 8.190 nan 0.000 0.447 198 V N -0.593 119.061 119.914 -0.433 0.000 2.392 198 V HA -0.266 3.854 4.120 0.001 0.000 0.249 198 V C 2.601 178.596 176.094 -0.166 0.000 1.059 198 V CA 2.489 64.580 62.300 -0.348 0.000 1.051 198 V CB -1.233 30.294 31.823 -0.493 0.000 0.658 198 V HN 0.580 nan 8.190 nan 0.000 0.455 199 K N 0.325 120.629 120.400 -0.160 0.000 2.026 199 K HA -0.045 4.276 4.320 0.001 0.000 0.208 199 K C 2.177 178.743 176.600 -0.056 0.000 1.048 199 K CA 1.763 57.996 56.287 -0.090 0.000 0.929 199 K CB -0.457 31.990 32.500 -0.088 0.000 0.713 199 K HN 0.509 nan 8.250 nan 0.000 0.439 200 V N 1.248 121.126 119.914 -0.060 0.000 2.427 200 V HA -0.212 3.908 4.120 0.001 0.000 0.248 200 V C 2.311 178.375 176.094 -0.049 0.000 1.051 200 V CA 1.875 64.153 62.300 -0.037 0.000 1.048 200 V CB -0.681 31.128 31.823 -0.024 0.000 0.666 200 V HN 0.333 nan 8.190 nan 0.000 0.456 201 A N -0.354 122.449 122.820 -0.028 0.000 1.933 201 A HA -0.227 4.094 4.320 0.001 0.000 0.218 201 A C 2.375 179.959 177.584 -0.001 0.000 1.175 201 A CA 1.925 53.911 52.037 -0.084 0.000 0.628 201 A CB -0.432 18.603 19.000 0.058 0.000 0.814 201 A HN 0.372 nan 8.150 nan 0.000 0.444 202 K N -0.107 120.299 120.400 0.010 0.000 2.062 202 K HA -0.128 4.192 4.320 0.001 0.000 0.205 202 K C 2.058 178.679 176.600 0.034 0.000 1.051 202 K CA 1.696 58.003 56.287 0.033 0.000 0.941 202 K CB -0.191 32.325 32.500 0.026 0.000 0.719 202 K HN 0.312 nan 8.250 nan 0.000 0.440 203 K N 1.159 121.568 120.400 0.015 0.000 2.032 203 K HA -0.056 4.264 4.320 0.001 0.000 0.209 203 K C 1.789 178.413 176.600 0.040 0.000 1.048 203 K CA 1.300 57.597 56.287 0.017 0.000 0.927 203 K CB -0.259 32.241 32.500 0.001 0.000 0.712 203 K HN 0.146 nan 8.250 nan 0.000 0.441 204 L N -0.271 120.987 121.223 0.058 0.000 2.645 204 L HA 0.212 4.552 4.340 0.001 0.000 0.235 204 L C 0.802 177.819 176.870 0.244 0.000 1.150 204 L CA 0.253 55.184 54.840 0.152 0.000 0.911 204 L CB -0.479 41.665 42.059 0.142 0.000 1.077 204 L HN 0.529 nan 8.230 nan 0.000 0.438 205 G N -0.637 108.251 108.800 0.147 0.000 2.221 205 G HA2 -0.333 3.627 3.960 0.001 0.000 0.265 205 G HA3 -0.333 3.627 3.960 0.001 0.000 0.265 205 G C 0.203 175.129 174.900 0.043 0.000 1.041 205 G CA 0.146 45.287 45.100 0.069 0.000 0.807 205 G HN 0.391 nan 8.290 nan 0.000 0.502 206 Y N 0.562 120.782 120.300 -0.133 0.000 2.466 206 Y HA 0.312 4.863 4.550 0.001 0.000 0.272 206 Y C 1.982 177.839 175.900 -0.072 0.000 1.169 206 Y CA 0.789 58.794 58.100 -0.159 0.000 1.285 206 Y CB 0.323 38.578 38.460 -0.341 0.000 1.078 206 Y HN 0.577 nan 8.280 nan 0.000 0.523 207 T N -3.645 110.967 114.554 0.097 0.000 2.858 207 T HA 0.406 4.757 4.350 0.001 0.000 0.285 207 T C -0.101 174.622 174.700 0.038 0.000 1.052 207 T CA -1.073 61.067 62.100 0.066 0.000 1.009 207 T CB 2.214 71.122 68.868 0.066 0.000 1.241 207 T HN -0.213 nan 8.240 nan 0.000 0.542 208 E N 0.823 121.042 120.200 0.031 0.000 2.369 208 E HA 0.242 4.593 4.350 0.001 0.000 0.255 208 E C -1.588 175.024 176.600 0.020 0.000 1.172 208 E CA -1.944 54.467 56.400 0.019 0.000 0.932 208 E CB 0.480 30.185 29.700 0.009 0.000 1.040 208 E HN 0.410 nan 8.360 nan 0.000 0.454 209 P HA -0.145 nan 4.420 nan 0.000 0.214 209 P C 0.169 177.484 177.300 0.025 0.000 1.163 209 P CA 1.429 64.540 63.100 0.019 0.000 0.889 209 P CB 0.235 31.943 31.700 0.013 0.000 0.790 210 D N -1.745 118.659 120.400 0.006 0.000 2.467 210 D HA 0.128 4.769 4.640 0.001 0.000 0.220 210 D C -1.862 174.414 176.300 -0.040 0.000 1.103 210 D CA -2.370 51.625 54.000 -0.008 0.000 0.886 210 D CB 0.689 41.462 40.800 -0.046 0.000 1.025 210 D HN -0.072 nan 8.370 nan 0.000 0.514 211 P HA -0.146 nan 4.420 nan 0.000 0.222 211 P C 1.079 178.324 177.300 -0.093 0.000 1.139 211 P CA 0.803 63.920 63.100 0.029 0.000 0.790 211 P CB 0.312 32.120 31.700 0.179 0.000 0.757 212 R N -0.498 119.807 120.500 -0.324 0.000 2.152 212 R HA -0.109 4.232 4.340 0.001 0.000 0.232 212 R C 1.653 177.843 176.300 -0.183 0.000 1.117 212 R CA 1.253 57.105 56.100 -0.414 0.000 0.981 212 R CB -0.882 29.085 30.300 -0.554 0.000 0.870 212 R HN 0.238 nan 8.270 nan 0.000 0.451 213 D N 0.149 120.477 120.400 -0.119 0.000 2.310 213 D HA -0.126 4.514 4.640 0.001 0.000 0.212 213 D C 0.717 177.001 176.300 -0.026 0.000 0.965 213 D CA 1.045 55.010 54.000 -0.059 0.000 0.879 213 D CB 0.040 40.819 40.800 -0.035 0.000 0.921 213 D HN 0.304 nan 8.370 nan 0.000 0.510 214 D N -0.093 120.293 120.400 -0.023 0.000 2.369 214 D HA 0.067 4.708 4.640 0.001 0.000 0.231 214 D C 2.304 178.587 176.300 -0.030 0.000 0.967 214 D CA 0.011 54.011 54.000 0.000 0.000 0.905 214 D CB 0.161 40.977 40.800 0.025 0.000 1.044 214 D HN 0.176 nan 8.370 nan 0.000 0.487 215 L N 2.081 123.289 121.223 -0.025 0.000 2.456 215 L HA -0.139 4.201 4.340 0.001 0.000 0.224 215 L C 1.789 178.629 176.870 -0.049 0.000 1.148 215 L CA 0.604 55.427 54.840 -0.028 0.000 0.825 215 L CB -0.531 41.582 42.059 0.089 0.000 0.937 215 L HN 0.058 nan 8.230 nan 0.000 0.450 216 N N 0.590 119.268 118.700 -0.038 0.000 2.459 216 N HA -0.101 4.640 4.740 0.001 0.000 0.181 216 N C 1.442 176.984 175.510 0.052 0.000 1.046 216 N CA 0.994 54.039 53.050 -0.007 0.000 0.904 216 N CB -0.513 37.958 38.487 -0.027 0.000 0.964 216 N HN 0.203 nan 8.380 nan 0.000 0.444 217 G N -0.049 108.785 108.800 0.057 0.000 2.168 217 G HA2 -0.295 3.666 3.960 0.001 0.000 0.257 217 G HA3 -0.295 3.666 3.960 0.001 0.000 0.257 217 G C 0.636 175.648 174.900 0.187 0.000 0.997 217 G CA 0.733 45.961 45.100 0.213 0.000 0.708 217 G HN 0.411 nan 8.290 nan 0.000 0.520 218 L N -0.529 120.753 121.223 0.098 0.000 2.131 218 L HA 0.049 4.390 4.340 0.001 0.000 0.206 218 L C 2.482 179.402 176.870 0.082 0.000 1.087 218 L CA 1.407 56.286 54.840 0.065 0.000 0.767 218 L CB -0.347 41.727 42.059 0.026 0.000 0.917 218 L HN 0.303 nan 8.230 nan 0.000 0.441 219 D N 0.271 120.727 120.400 0.093 0.000 2.178 219 D HA -0.135 4.506 4.640 0.001 0.000 0.202 219 D C 2.082 178.455 176.300 0.121 0.000 0.974 219 D CA 1.066 55.125 54.000 0.099 0.000 0.841 219 D CB 0.479 41.338 40.800 0.098 0.000 0.953 219 D HN 0.121 nan 8.370 nan 0.000 0.478 220 V N 1.268 121.287 119.914 0.174 0.000 2.379 220 V HA -0.144 3.976 4.120 0.001 0.000 0.245 220 V C 2.732 178.888 176.094 0.102 0.000 1.044 220 V CA 1.520 63.936 62.300 0.193 0.000 1.036 220 V CB -0.620 31.428 31.823 0.376 0.000 0.664 220 V HN 0.215 nan 8.190 nan 0.000 0.453 221 A N 0.322 123.240 122.820 0.164 0.000 1.933 221 A HA -0.211 4.110 4.320 0.001 0.000 0.218 221 A C 2.364 180.048 177.584 0.166 0.000 1.175 221 A CA 1.658 53.837 52.037 0.237 0.000 0.628 221 A CB -0.448 18.655 19.000 0.172 0.000 0.814 221 A HN 0.527 nan 8.150 nan 0.000 0.444 222 R N -0.102 120.452 120.500 0.090 0.000 2.081 222 R HA -0.107 4.234 4.340 0.001 0.000 0.235 222 R C 2.104 178.415 176.300 0.017 0.000 1.131 222 R CA 1.550 57.690 56.100 0.066 0.000 0.960 222 R CB -0.348 29.994 30.300 0.069 0.000 0.856 222 R HN 0.504 nan 8.270 nan 0.000 0.436 223 K N 0.436 120.810 120.400 -0.043 0.000 2.097 223 K HA -0.062 4.258 4.320 0.001 0.000 0.205 223 K C 2.101 178.489 176.600 -0.353 0.000 1.050 223 K CA 1.135 57.323 56.287 -0.166 0.000 0.938 223 K CB -0.059 32.312 32.500 -0.215 0.000 0.718 223 K HN -0.004 nan 8.250 nan 0.000 0.442 224 V N 1.241 120.915 119.914 -0.400 0.000 2.515 224 V HA -0.202 3.919 4.120 0.001 0.000 0.250 224 V C 2.091 178.030 176.094 -0.259 0.000 1.058 224 V CA 1.844 63.897 62.300 -0.413 0.000 1.064 224 V CB -0.483 31.153 31.823 -0.311 0.000 0.675 224 V HN 0.379 nan 8.190 nan 0.000 0.461 225 T N 0.452 114.926 114.554 -0.134 0.000 2.720 225 T HA -0.151 4.199 4.350 0.001 0.000 0.268 225 T C 1.801 176.382 174.700 -0.198 0.000 1.037 225 T CA 1.806 63.836 62.100 -0.116 0.000 1.144 225 T CB -0.262 68.619 68.868 0.022 0.000 0.864 225 T HN 0.360 nan 8.240 nan 0.000 0.444 226 I N 1.472 121.964 120.570 -0.129 0.000 2.179 226 I HA -0.167 4.003 4.170 0.001 0.000 0.242 226 I C 2.605 178.691 176.117 -0.051 0.000 1.088 226 I CA 1.227 62.484 61.300 -0.073 0.000 1.357 226 I CB -0.555 37.507 38.000 0.104 0.000 1.051 226 I HN 0.184 nan 8.210 nan 0.000 0.409 227 V N -1.198 118.679 119.914 -0.062 0.000 2.871 227 V HA 0.074 4.195 4.120 0.001 0.000 0.256 227 V C 2.253 178.312 176.094 -0.058 0.000 1.082 227 V CA 1.421 63.711 62.300 -0.016 0.000 1.105 227 V CB -1.531 30.294 31.823 0.004 0.000 0.713 227 V HN 0.392 nan 8.190 nan 0.000 0.473 228 G N 0.782 109.498 108.800 -0.140 0.000 2.414 228 G HA2 -0.195 3.766 3.960 0.001 0.000 0.215 228 G HA3 -0.195 3.766 3.960 0.001 0.000 0.215 228 G C 1.752 176.566 174.900 -0.142 0.000 1.188 228 G CA 0.854 45.860 45.100 -0.157 0.000 0.783 228 G HN 0.487 nan 8.290 nan 0.000 0.537 229 R N -0.060 120.292 120.500 -0.246 0.000 2.096 229 R HA 0.040 4.381 4.340 0.001 0.000 0.235 229 R C 2.582 178.896 176.300 0.024 0.000 1.127 229 R CA 1.089 57.011 56.100 -0.296 0.000 0.968 229 R CB -0.385 29.319 30.300 -0.993 0.000 0.861 229 R HN 0.399 nan 8.270 nan 0.000 0.440 230 I N 0.229 120.864 120.570 0.108 0.000 2.315 230 I HA -0.233 3.938 4.170 0.001 0.000 0.248 230 I C 1.868 178.038 176.117 0.088 0.000 1.117 230 I CA 1.168 62.592 61.300 0.207 0.000 1.404 230 I CB -0.186 37.914 38.000 0.167 0.000 1.071 230 I HN 0.068 nan 8.210 nan 0.000 0.419 231 S N 0.169 115.891 115.700 0.037 0.000 2.447 231 S HA 0.013 4.484 4.470 0.001 0.000 0.233 231 S C 1.564 176.173 174.600 0.015 0.000 1.006 231 S CA 1.079 59.288 58.200 0.015 0.000 0.957 231 S CB 0.093 63.292 63.200 -0.000 0.000 0.773 231 S HN 0.742 nan 8.310 nan 0.000 0.507 232 G N 0.154 108.969 108.800 0.024 0.000 2.164 232 G HA2 -0.167 3.794 3.960 0.001 0.000 0.154 232 G HA3 -0.167 3.794 3.960 0.001 0.000 0.154 232 G C -0.157 174.745 174.900 0.003 0.000 1.014 232 G CA -0.320 44.797 45.100 0.028 0.000 0.683 232 G HN 0.344 nan 8.290 nan 0.000 0.500 233 V N 1.993 121.888 119.914 -0.031 0.000 2.328 233 V HA 0.360 4.480 4.120 0.001 0.000 0.278 233 V C 0.481 176.529 176.094 -0.077 0.000 1.021 233 V CA -0.883 61.384 62.300 -0.055 0.000 0.838 233 V CB 1.579 33.350 31.823 -0.085 0.000 0.999 233 V HN 0.283 nan 8.190 nan 0.000 0.447 234 E N 3.692 123.866 120.200 -0.044 0.000 2.574 234 E HA 0.023 4.374 4.350 0.001 0.000 0.306 234 E C -0.135 176.428 176.600 -0.062 0.000 1.166 234 E CA 0.003 56.376 56.400 -0.045 0.000 1.263 234 E CB 0.299 29.998 29.700 -0.002 0.000 1.078 234 E HN 0.479 nan 8.360 nan 0.000 0.481 235 V N 3.143 122.989 119.914 -0.113 0.000 2.479 235 V HA -0.056 4.065 4.120 0.001 0.000 0.281 235 V C 1.680 177.745 176.094 -0.048 0.000 1.031 235 V CA -0.061 62.196 62.300 -0.072 0.000 1.038 235 V CB 0.872 32.626 31.823 -0.115 0.000 0.981 235 V HN 0.362 nan 8.190 nan 0.000 0.478 236 E N 3.028 123.235 120.200 0.013 0.000 2.047 236 E HA -0.052 4.298 4.350 0.001 0.000 0.191 236 E C 0.938 177.542 176.600 0.007 0.000 0.987 236 E CA 1.400 57.805 56.400 0.008 0.000 0.799 236 E CB 0.148 29.859 29.700 0.018 0.000 0.752 236 E HN 0.870 nan 8.360 nan 0.000 0.449 237 S N -1.954 113.770 115.700 0.040 0.000 2.636 237 S HA 0.325 4.795 4.470 0.001 0.000 0.268 237 S C -2.768 171.855 174.600 0.038 0.000 1.159 237 S CA -1.153 57.056 58.200 0.015 0.000 0.815 237 S CB 1.878 65.061 63.200 -0.028 0.000 1.130 237 S HN -0.284 nan 8.310 nan 0.000 0.471 238 P HA 0.132 nan 4.420 nan 0.000 0.242 238 P C 0.879 177.877 177.300 -0.504 0.000 1.197 238 P CA 0.947 63.986 63.100 -0.102 0.000 0.765 238 P CB -0.147 31.541 31.700 -0.021 0.000 0.936 239 T N -5.904 108.417 114.554 -0.388 0.000 3.091 239 T HA 0.091 4.442 4.350 0.001 0.000 0.277 239 T C 1.211 175.710 174.700 -0.336 0.000 0.996 239 T CA 0.114 61.981 62.100 -0.389 0.000 0.897 239 T CB -0.687 68.063 68.868 -0.196 0.000 1.109 239 T HN 0.030 nan 8.240 nan 0.000 0.534 240 S N 1.031 116.556 115.700 -0.290 0.000 2.671 240 S HA 0.440 4.910 4.470 0.001 0.000 0.220 240 S C 0.126 174.742 174.600 0.027 0.000 0.951 240 S CA -0.894 57.263 58.200 -0.071 0.000 0.932 240 S CB -1.023 62.207 63.200 0.049 0.000 0.777 240 S HN 0.684 nan 8.310 nan 0.000 0.508 241 F N -2.174 117.762 119.950 -0.022 0.000 2.711 241 F HA 0.796 5.323 4.527 0.001 0.000 0.313 241 F C -3.428 172.363 175.800 -0.015 0.000 1.141 241 F CA -2.965 55.023 58.000 -0.021 0.000 0.941 241 F CB -0.330 38.651 39.000 -0.030 0.000 1.349 241 F HN -0.308 nan 8.300 nan 0.000 0.464 242 P HA 0.223 nan 4.420 nan 0.000 0.260 242 P C -1.121 176.266 177.300 0.145 0.000 1.185 242 P CA 0.101 63.277 63.100 0.126 0.000 0.763 242 P CB 0.893 32.668 31.700 0.125 0.000 0.776 243 V N 4.638 124.568 119.914 0.027 0.000 2.488 243 V HA 0.217 4.338 4.120 0.001 0.000 0.293 243 V C -0.633 175.510 176.094 0.082 0.000 1.027 243 V CA -0.607 61.724 62.300 0.052 0.000 0.862 243 V CB 1.577 33.365 31.823 -0.058 0.000 1.008 243 V HN 0.443 nan 8.190 nan 0.000 0.428 244 Q N 4.637 124.519 119.800 0.137 0.000 2.337 244 Q HA 0.431 4.772 4.340 0.001 0.000 0.255 244 Q C -0.024 176.145 176.000 0.282 0.000 0.997 244 Q CA 0.058 55.970 55.803 0.181 0.000 0.925 244 Q CB 1.109 29.948 28.738 0.168 0.000 1.212 244 Q HN 0.863 nan 8.270 nan 0.000 0.436 245 S N 3.725 119.522 115.700 0.161 0.000 2.580 245 S HA 0.259 4.729 4.470 0.001 0.000 0.274 245 S C 0.539 175.203 174.600 0.106 0.000 1.329 245 S CA -0.508 57.765 58.200 0.121 0.000 1.036 245 S CB 0.514 63.746 63.200 0.053 0.000 0.919 245 S HN 0.822 nan 8.310 nan 0.000 0.515 246 L N 3.688 124.953 121.223 0.071 0.000 2.808 246 L HA 0.406 4.747 4.340 0.001 0.000 0.246 246 L C -0.414 176.507 176.870 0.085 0.000 1.153 246 L CA -0.044 54.831 54.840 0.059 0.000 0.956 246 L CB 0.076 42.179 42.059 0.073 0.000 1.270 246 L HN 0.567 nan 8.230 nan 0.000 0.528 247 I N 1.497 122.105 120.570 0.064 0.000 2.352 247 I HA 0.197 4.368 4.170 0.001 0.000 0.290 247 I C -1.980 174.143 176.117 0.011 0.000 1.036 247 I CA -1.836 59.523 61.300 0.098 0.000 1.336 247 I CB 0.730 38.721 38.000 -0.015 0.000 1.407 247 I HN -0.195 nan 8.210 nan 0.000 0.497 248 P HA 0.023 nan 4.420 nan 0.000 0.264 248 P C 0.169 177.351 177.300 -0.197 0.000 1.193 248 P CA -0.098 62.812 63.100 -0.316 0.000 0.763 248 P CB 0.450 31.596 31.700 -0.923 0.000 0.810 249 K N 4.166 124.491 120.400 -0.126 0.000 2.227 249 K HA -0.225 4.095 4.320 0.001 0.000 0.208 249 K C -0.927 175.658 176.600 -0.025 0.000 1.045 249 K CA 1.959 58.219 56.287 -0.044 0.000 0.931 249 K CB -1.493 31.004 32.500 -0.004 0.000 0.721 249 K HN 0.520 nan 8.250 nan 0.000 0.469 250 P HA 0.015 nan 4.420 nan 0.000 0.218 250 P C 0.482 177.803 177.300 0.035 0.000 1.151 250 P CA 0.518 63.634 63.100 0.027 0.000 0.850 250 P CB 0.223 31.986 31.700 0.104 0.000 0.801 251 L N 0.775 122.016 121.223 0.031 0.000 2.721 251 L HA -0.109 4.232 4.340 0.001 0.000 0.241 251 L C 1.880 178.802 176.870 0.087 0.000 1.168 251 L CA 1.341 56.262 54.840 0.135 0.000 0.866 251 L CB -1.732 40.518 42.059 0.318 0.000 0.996 251 L HN 0.190 nan 8.230 nan 0.000 0.451 252 E N -1.065 119.145 120.200 0.015 0.000 2.427 252 E HA -0.081 4.270 4.350 0.001 0.000 0.196 252 E C 1.165 177.752 176.600 -0.021 0.000 1.028 252 E CA 0.941 57.320 56.400 -0.034 0.000 0.864 252 E CB -0.080 29.600 29.700 -0.033 0.000 0.813 252 E HN 0.471 nan 8.360 nan 0.000 0.514 253 S N 0.073 115.778 115.700 0.009 0.000 2.651 253 S HA 0.180 4.651 4.470 0.001 0.000 0.246 253 S C 1.200 175.820 174.600 0.032 0.000 1.039 253 S CA -0.261 57.948 58.200 0.013 0.000 1.013 253 S CB 0.817 64.027 63.200 0.017 0.000 0.861 253 S HN 0.136 nan 8.310 nan 0.000 0.485 254 V N 1.472 121.414 119.914 0.048 0.000 2.594 254 V HA -0.075 4.046 4.120 0.001 0.000 0.253 254 V C 1.488 177.619 176.094 0.061 0.000 1.069 254 V CA 2.413 64.761 62.300 0.080 0.000 1.082 254 V CB -0.626 31.289 31.823 0.154 0.000 0.680 254 V HN 0.794 nan 8.190 nan 0.000 0.469 255 K N -0.751 119.670 120.400 0.035 0.000 5.297 255 K HA -0.219 4.102 4.320 0.001 0.000 0.184 255 K C 0.476 177.097 176.600 0.034 0.000 1.193 255 K CA 1.481 57.784 56.287 0.027 0.000 0.658 255 K CB -1.995 30.523 32.500 0.030 0.000 0.653 255 K HN 0.575 nan 8.250 nan 0.000 0.632 256 S N 0.881 116.607 115.700 0.042 0.000 2.550 256 S HA 0.219 4.689 4.470 0.001 0.000 0.285 256 S C 0.974 175.617 174.600 0.071 0.000 1.326 256 S CA 0.519 58.747 58.200 0.048 0.000 1.037 256 S CB 0.850 64.079 63.200 0.048 0.000 0.838 256 S HN 0.676 nan 8.310 nan 0.000 0.519 257 A N 0.244 123.104 122.820 0.066 0.000 2.379 257 A HA 0.204 4.525 4.320 0.001 0.000 0.236 257 A C 0.886 178.548 177.584 0.130 0.000 1.272 257 A CA -0.141 51.952 52.037 0.094 0.000 0.886 257 A CB -0.165 18.865 19.000 0.050 0.000 0.962 257 A HN 0.679 nan 8.150 nan 0.000 0.504 258 D N -0.221 120.239 120.400 0.099 0.000 2.490 258 D HA -0.005 4.636 4.640 0.001 0.000 0.244 258 D C 1.727 178.073 176.300 0.076 0.000 0.979 258 D CA 0.692 54.737 54.000 0.075 0.000 0.924 258 D CB -0.182 40.646 40.800 0.047 0.000 1.075 258 D HN 0.502 nan 8.370 nan 0.000 0.488 259 E N 0.629 120.881 120.200 0.085 0.000 2.026 259 E HA -0.225 4.126 4.350 0.001 0.000 0.206 259 E C 1.941 178.592 176.600 0.085 0.000 1.028 259 E CA 0.961 57.407 56.400 0.078 0.000 0.845 259 E CB -0.394 29.360 29.700 0.089 0.000 0.772 259 E HN 0.166 nan 8.360 nan 0.000 0.462 260 F N 1.717 121.677 119.950 0.017 0.000 2.039 260 F HA -0.325 4.202 4.527 0.001 0.000 0.296 260 F C 2.253 178.063 175.800 0.017 0.000 1.119 260 F CA 1.753 59.761 58.000 0.013 0.000 1.211 260 F CB -0.638 38.362 39.000 0.000 0.000 0.956 260 F HN 0.010 nan 8.300 nan 0.000 0.496 261 L N 1.017 122.149 121.223 -0.153 0.000 2.012 261 L HA -0.226 4.115 4.340 0.001 0.000 0.210 261 L C 2.642 179.376 176.870 -0.227 0.000 1.073 261 L CA 2.560 57.245 54.840 -0.258 0.000 0.748 261 L CB -1.281 40.771 42.059 -0.011 0.000 0.891 261 L HN 0.580 nan 8.230 nan 0.000 0.431 262 E N -0.977 119.156 120.200 -0.112 0.000 2.107 262 E HA -0.288 4.063 4.350 0.001 0.000 0.191 262 E C 2.012 178.565 176.600 -0.077 0.000 0.982 262 E CA 1.286 57.639 56.400 -0.078 0.000 0.809 262 E CB -0.371 29.309 29.700 -0.033 0.000 0.756 262 E HN 0.331 nan 8.360 nan 0.000 0.459 263 K N 0.513 120.868 120.400 -0.076 0.000 2.486 263 K HA -0.001 4.319 4.320 0.001 0.000 0.194 263 K C 1.755 178.353 176.600 -0.002 0.000 1.033 263 K CA 0.234 56.513 56.287 -0.014 0.000 1.004 263 K CB -0.091 32.434 32.500 0.040 0.000 0.798 263 K HN 0.205 nan 8.250 nan 0.000 0.495 264 L N 1.031 122.137 121.223 -0.194 0.000 1.970 264 L HA -0.242 4.099 4.340 0.001 0.000 0.212 264 L C 2.032 178.938 176.870 0.061 0.000 1.071 264 L CA 2.518 57.238 54.840 -0.200 0.000 0.751 264 L CB -1.264 40.539 42.059 -0.428 0.000 0.889 264 L HN 0.463 nan 8.230 nan 0.000 0.432 265 S N -1.247 114.450 115.700 -0.006 0.000 2.432 265 S HA -0.335 4.136 4.470 0.001 0.000 0.243 265 S C 1.664 176.286 174.600 0.037 0.000 1.069 265 S CA 1.694 59.906 58.200 0.019 0.000 1.047 265 S CB -1.331 61.858 63.200 -0.019 0.000 0.854 265 S HN 0.591 nan 8.310 nan 0.000 0.474 266 D N 0.529 120.943 120.400 0.024 0.000 2.389 266 D HA -0.040 4.600 4.640 0.001 0.000 0.221 266 D C 0.133 176.160 176.300 -0.455 0.000 0.974 266 D CA 0.946 54.814 54.000 -0.220 0.000 0.923 266 D CB -0.210 40.372 40.800 -0.363 0.000 0.892 266 D HN 0.774 nan 8.370 nan 0.000 0.518 267 Y N -1.182 119.108 120.300 -0.017 0.000 2.738 267 Y HA 0.227 4.778 4.550 0.001 0.000 0.249 267 Y C 1.150 177.042 175.900 -0.014 0.000 1.153 267 Y CA -0.936 57.158 58.100 -0.011 0.000 1.165 267 Y CB 0.201 38.655 38.460 -0.010 0.000 1.235 267 Y HN -0.179 nan 8.280 nan 0.000 0.559 268 D N 1.104 121.577 120.400 0.122 0.000 2.144 268 D HA -0.188 4.452 4.640 0.001 0.000 0.199 268 D C 2.029 178.380 176.300 0.085 0.000 0.984 268 D CA 1.165 55.219 54.000 0.091 0.000 0.834 268 D CB 0.232 41.082 40.800 0.084 0.000 0.955 268 D HN 0.357 nan 8.370 nan 0.000 0.465 269 K N 0.894 121.332 120.400 0.064 0.000 2.077 269 K HA -0.213 4.108 4.320 0.001 0.000 0.213 269 K C 1.441 178.083 176.600 0.070 0.000 1.051 269 K CA 1.747 58.068 56.287 0.058 0.000 0.929 269 K CB 0.094 32.609 32.500 0.025 0.000 0.715 269 K HN 0.089 nan 8.250 nan 0.000 0.451 270 D N 0.605 121.045 120.400 0.068 0.000 2.084 270 D HA -0.174 4.467 4.640 0.001 0.000 0.194 270 D C 2.141 178.484 176.300 0.072 0.000 0.990 270 D CA 1.326 55.364 54.000 0.063 0.000 0.826 270 D CB -0.185 40.652 40.800 0.061 0.000 0.971 270 D HN 0.283 nan 8.370 nan 0.000 0.453 271 L N 1.050 122.303 121.223 0.050 0.000 2.046 271 L HA -0.143 4.198 4.340 0.001 0.000 0.208 271 L C 2.795 179.851 176.870 0.311 0.000 1.077 271 L CA 1.574 56.471 54.840 0.096 0.000 0.747 271 L CB -0.926 41.021 42.059 -0.186 0.000 0.896 271 L HN 0.137 nan 8.230 nan 0.000 0.432 272 T N -3.338 111.404 114.554 0.314 0.000 2.929 272 T HA -0.261 4.089 4.350 0.001 0.000 0.271 272 T C 1.707 176.492 174.700 0.141 0.000 1.085 272 T CA 1.179 63.461 62.100 0.302 0.000 1.125 272 T CB -0.148 68.859 68.868 0.232 0.000 0.874 272 T HN 0.377 nan 8.240 nan 0.000 0.494 273 Q N -0.148 119.720 119.800 0.114 0.000 2.204 273 Q HA 0.122 4.462 4.340 0.001 0.000 0.198 273 Q C 2.179 178.219 176.000 0.068 0.000 0.946 273 Q CA 0.398 56.243 55.803 0.071 0.000 0.859 273 Q CB -0.108 28.664 28.738 0.057 0.000 0.946 273 Q HN 0.477 nan 8.270 nan 0.000 0.474 274 L N 1.431 122.710 121.223 0.094 0.000 2.141 274 L HA -0.118 4.223 4.340 0.001 0.000 0.209 274 L C 2.162 179.087 176.870 0.091 0.000 1.094 274 L CA 1.787 56.683 54.840 0.094 0.000 0.763 274 L CB -0.341 41.792 42.059 0.124 0.000 0.908 274 L HN 0.067 nan 8.230 nan 0.000 0.437 275 K N -0.422 120.033 120.400 0.091 0.000 2.103 275 K HA -0.215 4.105 4.320 0.001 0.000 0.204 275 K C 2.249 178.837 176.600 -0.019 0.000 1.052 275 K CA 1.336 57.619 56.287 -0.007 0.000 0.945 275 K CB -0.030 32.335 32.500 -0.225 0.000 0.722 275 K HN 0.343 nan 8.250 nan 0.000 0.443 276 K N 0.914 121.316 120.400 0.004 0.000 2.103 276 K HA -0.128 4.193 4.320 0.001 0.000 0.204 276 K C 1.519 178.126 176.600 0.012 0.000 1.052 276 K CA 1.490 57.780 56.287 0.006 0.000 0.945 276 K CB 0.101 32.610 32.500 0.015 0.000 0.722 276 K HN 0.178 nan 8.250 nan 0.000 0.443 277 E N 0.305 120.516 120.200 0.018 0.000 2.077 277 E HA -0.180 4.170 4.350 0.001 0.000 0.193 277 E C 2.015 178.615 176.600 -0.000 0.000 0.989 277 E CA 1.078 57.484 56.400 0.010 0.000 0.800 277 E CB -0.125 29.584 29.700 0.015 0.000 0.746 277 E HN 0.457 nan 8.360 nan 0.000 0.452 278 A N 1.720 124.545 122.820 0.009 0.000 1.855 278 A HA -0.104 4.216 4.320 0.001 0.000 0.215 278 A C 2.461 180.033 177.584 -0.019 0.000 1.191 278 A CA 1.665 53.701 52.037 -0.002 0.000 0.613 278 A CB -0.821 18.202 19.000 0.038 0.000 0.829 278 A HN 0.287 nan 8.150 nan 0.000 0.442 279 A N -0.866 121.969 122.820 0.024 0.000 1.892 279 A HA -0.189 4.132 4.320 0.001 0.000 0.218 279 A C 2.289 179.879 177.584 0.010 0.000 1.188 279 A CA 2.584 54.663 52.037 0.070 0.000 0.631 279 A CB -1.561 17.490 19.000 0.085 0.000 0.822 279 A HN 0.449 nan 8.150 nan 0.000 0.447 280 T N 0.250 114.803 114.554 -0.003 0.000 2.737 280 T HA -0.162 4.188 4.350 0.001 0.000 0.269 280 T C 1.373 176.043 174.700 -0.051 0.000 1.040 280 T CA 1.825 63.916 62.100 -0.015 0.000 1.142 280 T CB -0.323 68.539 68.868 -0.010 0.000 0.861 280 T HN 0.753 nan 8.240 nan 0.000 0.456 281 E N 0.859 121.009 120.200 -0.083 0.000 2.479 281 E HA 0.121 4.471 4.350 0.001 0.000 0.193 281 E C 0.218 176.684 176.600 -0.224 0.000 1.049 281 E CA -0.248 56.081 56.400 -0.119 0.000 0.870 281 E CB 0.105 29.744 29.700 -0.102 0.000 0.944 281 E HN 0.319 nan 8.360 nan 0.000 0.492 282 N N 1.242 119.741 118.700 -0.335 0.000 2.776 282 N HA -0.127 4.613 4.740 0.001 0.000 0.250 282 N C -0.664 174.176 175.510 -1.117 0.000 1.112 282 N CA 1.027 53.571 53.050 -0.843 0.000 0.733 282 N CB -0.686 37.480 38.487 -0.535 0.000 1.097 282 N HN 0.148 nan 8.380 nan 0.000 0.558 283 K N 0.390 120.471 120.400 -0.531 0.000 2.238 283 K HA 0.674 4.995 4.320 0.001 0.000 0.239 283 K C -0.061 176.548 176.600 0.015 0.000 0.987 283 K CA -0.620 55.524 56.287 -0.238 0.000 0.857 283 K CB 2.579 35.002 32.500 -0.129 0.000 1.154 283 K HN -0.039 nan 8.250 nan 0.000 0.439 284 V N 2.012 122.034 119.914 0.181 0.000 2.769 284 V HA 0.448 4.568 4.120 0.001 0.000 0.312 284 V C -0.971 175.283 176.094 0.267 0.000 1.061 284 V CA -1.086 61.379 62.300 0.276 0.000 0.931 284 V CB 1.773 33.805 31.823 0.349 0.000 1.010 284 V HN 0.542 nan 8.190 nan 0.000 0.433 285 L N 6.720 128.123 121.223 0.300 0.000 2.305 285 L HA 0.668 5.008 4.340 0.001 0.000 0.281 285 L C 0.016 177.114 176.870 0.381 0.000 1.085 285 L CA -0.439 54.615 54.840 0.357 0.000 0.813 285 L CB 0.766 43.119 42.059 0.490 0.000 1.157 285 L HN 0.497 nan 8.230 nan 0.000 0.436 286 R N 2.639 123.241 120.500 0.170 0.000 2.673 286 R HA 0.383 4.723 4.340 0.001 0.000 0.281 286 R C -1.307 174.812 176.300 -0.301 0.000 0.991 286 R CA -0.781 55.280 56.100 -0.065 0.000 0.896 286 R CB 2.416 32.798 30.300 0.136 0.000 1.201 286 R HN 0.331 nan 8.270 nan 0.000 0.457 287 F N 4.610 124.112 119.950 -0.747 0.000 2.424 287 F HA 0.466 4.993 4.527 0.001 0.000 0.356 287 F C 0.361 176.105 175.800 -0.094 0.000 1.110 287 F CA -0.430 57.306 58.000 -0.441 0.000 1.161 287 F CB 0.414 39.172 39.000 -0.403 0.000 1.115 287 F HN 0.503 nan 8.300 nan 0.000 0.507 288 I N 2.474 122.808 120.570 -0.394 0.000 3.191 288 I HA 0.893 5.064 4.170 0.001 0.000 0.313 288 I C -0.814 175.262 176.117 -0.070 0.000 1.193 288 I CA -1.141 60.113 61.300 -0.075 0.000 0.968 288 I CB 2.232 40.307 38.000 0.126 0.000 1.262 288 I HN 0.620 nan 8.210 nan 0.000 0.456 289 G N 2.049 110.974 108.800 0.209 0.000 2.478 289 G HA2 0.555 4.516 3.960 0.001 0.000 0.317 289 G HA3 0.555 4.516 3.960 0.001 0.000 0.317 289 G C -1.569 173.436 174.900 0.176 0.000 1.259 289 G CA -0.629 44.569 45.100 0.164 0.000 0.933 289 G HN 0.760 nan 8.290 nan 0.000 0.478 290 K N 1.459 121.880 120.400 0.034 0.000 2.318 290 K HA 0.704 5.025 4.320 0.001 0.000 0.249 290 K C -1.437 175.128 176.600 -0.058 0.000 0.942 290 K CA -0.687 55.618 56.287 0.030 0.000 0.808 290 K CB 2.675 35.184 32.500 0.016 0.000 1.189 290 K HN 0.269 nan 8.250 nan 0.000 0.428 291 V N 3.125 123.022 119.914 -0.028 0.000 2.524 291 V HA 0.186 4.306 4.120 0.001 0.000 0.297 291 V C -1.162 174.910 176.094 -0.036 0.000 1.035 291 V CA -0.871 61.387 62.300 -0.071 0.000 0.867 291 V CB 1.667 33.447 31.823 -0.071 0.000 1.004 291 V HN 0.786 nan 8.190 nan 0.000 0.426 292 D N 3.813 124.183 120.400 -0.049 0.000 2.460 292 D HA 0.231 4.872 4.640 0.001 0.000 0.232 292 D C 1.043 177.324 176.300 -0.032 0.000 1.079 292 D CA -0.215 53.767 54.000 -0.029 0.000 0.864 292 D CB 2.248 43.031 40.800 -0.028 0.000 1.048 292 D HN 0.428 nan 8.370 nan 0.000 0.523 293 V N 3.156 123.058 119.914 -0.022 0.000 2.407 293 V HA -0.149 3.972 4.120 0.001 0.000 0.248 293 V C 2.150 178.235 176.094 -0.015 0.000 1.055 293 V CA 1.839 64.126 62.300 -0.021 0.000 1.049 293 V CB -0.868 30.949 31.823 -0.010 0.000 0.662 293 V HN 0.482 nan 8.190 nan 0.000 0.455 294 A N 1.606 124.420 122.820 -0.010 0.000 1.908 294 A HA -0.164 4.157 4.320 0.001 0.000 0.218 294 A C 2.400 179.977 177.584 -0.010 0.000 1.181 294 A CA 2.738 54.771 52.037 -0.008 0.000 0.627 294 A CB -1.254 17.743 19.000 -0.005 0.000 0.818 294 A HN 0.882 nan 8.150 nan 0.000 0.445 295 T N -3.841 110.704 114.554 -0.015 0.000 3.086 295 T HA 0.246 4.596 4.350 0.001 0.000 0.250 295 T C 0.520 175.208 174.700 -0.021 0.000 1.074 295 T CA 0.448 62.538 62.100 -0.016 0.000 0.988 295 T CB -0.324 68.534 68.868 -0.016 0.000 0.988 295 T HN 0.502 nan 8.240 nan 0.000 0.530 296 K N 1.557 121.941 120.400 -0.027 0.000 3.035 296 K HA -0.154 4.167 4.320 0.001 0.000 0.262 296 K C -0.358 176.213 176.600 -0.049 0.000 1.024 296 K CA 0.689 56.954 56.287 -0.037 0.000 0.748 296 K CB -2.187 30.299 32.500 -0.023 0.000 1.247 296 K HN 0.757 nan 8.250 nan 0.000 0.482 297 S N -0.800 114.866 115.700 -0.057 0.000 2.456 297 S HA 0.624 5.095 4.470 0.001 0.000 0.316 297 S C 0.017 174.544 174.600 -0.121 0.000 1.089 297 S CA -0.967 57.193 58.200 -0.065 0.000 1.101 297 S CB 2.215 65.393 63.200 -0.037 0.000 0.995 297 S HN 0.047 nan 8.310 nan 0.000 0.468 298 V N 2.890 122.678 119.914 -0.209 0.000 2.769 298 V HA 0.941 5.062 4.120 0.001 0.000 0.312 298 V C 0.035 175.933 176.094 -0.327 0.000 1.058 298 V CA -0.293 61.768 62.300 -0.397 0.000 0.952 298 V CB 1.877 33.223 31.823 -0.795 0.000 1.019 298 V HN 1.233 nan 8.190 nan 0.000 0.445 299 S N 1.964 117.510 115.700 -0.256 0.000 2.587 299 S HA 0.798 5.268 4.470 0.001 0.000 0.269 299 S C -1.626 172.991 174.600 0.029 0.000 1.154 299 S CA -0.729 57.478 58.200 0.012 0.000 0.824 299 S CB 1.843 65.051 63.200 0.012 0.000 1.118 299 S HN 0.563 nan 8.310 nan 0.000 0.462 300 V N 0.932 120.903 119.914 0.095 0.000 2.623 300 V HA 0.952 5.072 4.120 0.001 0.000 0.304 300 V C 0.607 176.582 176.094 -0.199 0.000 1.054 300 V CA 0.546 62.818 62.300 -0.047 0.000 0.882 300 V CB 1.073 32.961 31.823 0.108 0.000 1.002 300 V HN 1.730 nan 8.190 nan 0.000 0.424 301 G N 3.787 112.264 108.800 -0.538 0.000 2.323 301 G HA2 0.395 4.356 3.960 0.001 0.000 0.291 301 G HA3 0.395 4.356 3.960 0.001 0.000 0.291 301 G C -1.638 172.971 174.900 -0.485 0.000 1.278 301 G CA -0.844 43.977 45.100 -0.465 0.000 0.860 301 G HN 0.567 nan 8.290 nan 0.000 0.504 302 I N 0.849 121.336 120.570 -0.138 0.000 2.371 302 I HA 0.501 4.672 4.170 0.001 0.000 0.290 302 I C -0.063 176.030 176.117 -0.041 0.000 1.028 302 I CA -0.178 61.089 61.300 -0.055 0.000 1.345 302 I CB 1.553 39.626 38.000 0.120 0.000 1.407 302 I HN 0.406 nan 8.210 nan 0.000 0.501 303 E N 5.497 125.685 120.200 -0.020 0.000 2.288 303 E HA 0.429 4.780 4.350 0.001 0.000 0.268 303 E C -1.154 175.381 176.600 -0.108 0.000 0.885 303 E CA -0.809 55.537 56.400 -0.090 0.000 0.767 303 E CB 1.806 31.430 29.700 -0.126 0.000 1.220 303 E HN 0.296 nan 8.360 nan 0.000 0.427 304 K N 1.920 122.166 120.400 -0.257 0.000 2.205 304 K HA 0.392 4.712 4.320 0.001 0.000 0.279 304 K C -1.025 175.265 176.600 -0.516 0.000 1.027 304 K CA -0.344 55.818 56.287 -0.209 0.000 0.932 304 K CB 0.764 33.173 32.500 -0.150 0.000 1.032 304 K HN 0.413 nan 8.250 nan 0.000 0.466 305 Y N 0.491 120.742 120.300 -0.081 0.000 2.442 305 Y HA 0.129 4.680 4.550 0.001 0.000 0.344 305 Y C -0.207 175.663 175.900 -0.050 0.000 0.976 305 Y CA -1.036 56.974 58.100 -0.150 0.000 1.040 305 Y CB 1.759 40.118 38.460 -0.169 0.000 1.228 305 Y HN 0.603 nan 8.280 nan 0.000 0.451 306 D N 1.007 121.457 120.400 0.083 0.000 2.443 306 D HA -0.014 4.627 4.640 0.001 0.000 0.239 306 D C 0.635 177.069 176.300 0.224 0.000 1.136 306 D CA 0.763 54.803 54.000 0.065 0.000 0.879 306 D CB 0.524 41.368 40.800 0.074 0.000 1.195 306 D HN 0.600 nan 8.370 nan 0.000 0.443 307 Y N 0.533 120.896 120.300 0.104 0.000 2.298 307 Y HA -0.246 4.304 4.550 0.001 0.000 0.287 307 Y C 2.367 178.329 175.900 0.104 0.000 1.164 307 Y CA 0.590 58.748 58.100 0.097 0.000 1.229 307 Y CB 0.030 38.526 38.460 0.061 0.000 0.977 307 Y HN 0.370 nan 8.280 nan 0.000 0.538 308 S N -1.591 114.261 115.700 0.253 0.000 2.603 308 S HA -0.070 4.400 4.470 0.001 0.000 0.220 308 S C 0.138 174.831 174.600 0.156 0.000 0.967 308 S CA -0.203 58.097 58.200 0.166 0.000 0.920 308 S CB -0.621 62.647 63.200 0.113 0.000 0.773 308 S HN 0.384 nan 8.310 nan 0.000 0.529 309 H N 2.713 121.855 119.070 0.121 0.000 2.610 309 H HA 0.294 4.850 4.556 0.001 0.000 0.336 309 H C -1.902 173.495 175.328 0.116 0.000 1.087 309 H CA -1.502 54.602 56.048 0.095 0.000 1.405 309 H CB 0.948 30.788 29.762 0.130 0.000 1.460 309 H HN -0.101 nan 8.280 nan 0.000 0.538 310 P HA -0.223 nan 4.420 nan 0.000 0.218 310 P C 0.729 178.215 177.300 0.311 0.000 1.146 310 P CA 1.178 64.326 63.100 0.080 0.000 0.820 310 P CB 0.062 31.761 31.700 -0.002 0.000 0.778 311 F N -0.457 119.565 119.950 0.120 0.000 2.325 311 F HA 0.035 4.563 4.527 0.001 0.000 0.299 311 F C 2.211 178.010 175.800 -0.002 0.000 1.090 311 F CA 0.380 58.362 58.000 -0.030 0.000 1.392 311 F CB -1.571 37.210 39.000 -0.366 0.000 1.053 311 F HN -0.117 nan 8.300 nan 0.000 0.521 312 A N -1.310 121.686 122.820 0.292 0.000 2.261 312 A HA 0.168 4.488 4.320 0.001 0.000 0.208 312 A C 1.375 179.040 177.584 0.136 0.000 1.223 312 A CA 0.913 53.085 52.037 0.224 0.000 0.833 312 A CB -0.630 18.548 19.000 0.296 0.000 0.830 312 A HN 0.184 nan 8.150 nan 0.000 0.483 313 S N -0.700 115.064 115.700 0.107 0.000 2.960 313 S HA 0.297 4.767 4.470 0.001 0.000 0.256 313 S C 0.248 174.869 174.600 0.034 0.000 1.017 313 S CA -0.567 57.668 58.200 0.058 0.000 1.144 313 S CB -0.125 63.107 63.200 0.053 0.000 1.109 313 S HN 0.429 nan 8.310 nan 0.000 0.638 314 L N 1.842 123.080 121.223 0.024 0.000 2.489 314 L HA 0.133 4.473 4.340 0.001 0.000 0.285 314 L C 0.532 177.413 176.870 0.020 0.000 1.259 314 L CA 0.199 55.036 54.840 -0.004 0.000 0.828 314 L CB 0.223 42.258 42.059 -0.040 0.000 1.094 314 L HN -0.010 nan 8.230 nan 0.000 0.524 315 K N 0.791 121.205 120.400 0.022 0.000 2.207 315 K HA 0.408 4.728 4.320 0.001 0.000 0.255 315 K C 0.555 177.207 176.600 0.087 0.000 0.941 315 K CA 0.301 56.617 56.287 0.048 0.000 0.825 315 K CB 1.569 34.089 32.500 0.034 0.000 1.119 315 K HN 0.779 nan 8.250 nan 0.000 0.430 316 G N 2.220 111.104 108.800 0.141 0.000 2.704 316 G HA2 -0.391 3.569 3.960 0.001 0.000 0.344 316 G HA3 -0.391 3.569 3.960 0.001 0.000 0.344 316 G C 0.428 175.514 174.900 0.309 0.000 1.200 316 G CA 1.329 46.579 45.100 0.250 0.000 0.962 316 G HN 0.727 nan 8.290 nan 0.000 0.552 317 S N 0.405 116.243 115.700 0.231 0.000 2.855 317 S HA 0.395 4.865 4.470 0.001 0.000 0.249 317 S C -0.148 174.509 174.600 0.095 0.000 1.033 317 S CA 0.485 58.813 58.200 0.212 0.000 1.038 317 S CB 0.595 63.927 63.200 0.221 0.000 0.960 317 S HN 0.561 nan 8.310 nan 0.000 0.548 318 D N 3.174 123.604 120.400 0.050 0.000 2.506 318 D HA 0.096 4.737 4.640 0.001 0.000 0.234 318 D C 0.096 176.360 176.300 -0.058 0.000 1.143 318 D CA 0.744 54.737 54.000 -0.011 0.000 0.871 318 D CB 0.350 41.130 40.800 -0.033 0.000 1.190 318 D HN 0.471 nan 8.370 nan 0.000 0.459 319 N N -0.327 118.320 118.700 -0.088 0.000 2.458 319 N HA 0.501 5.241 4.740 0.001 0.000 0.271 319 N C -0.825 174.527 175.510 -0.262 0.000 1.210 319 N CA -0.686 52.262 53.050 -0.170 0.000 0.978 319 N CB 2.041 40.453 38.487 -0.124 0.000 1.206 319 N HN 0.086 nan 8.380 nan 0.000 0.536 320 V N 1.816 121.470 119.914 -0.433 0.000 2.969 320 V HA 0.525 4.645 4.120 0.001 0.000 0.304 320 V C -1.610 174.175 176.094 -0.515 0.000 1.192 320 V CA -0.483 61.546 62.300 -0.452 0.000 0.962 320 V CB 1.726 33.195 31.823 -0.591 0.000 1.045 320 V HN 0.505 nan 8.190 nan 0.000 0.428 321 I N 4.355 124.764 120.570 -0.270 0.000 2.647 321 I HA 0.574 4.744 4.170 0.001 0.000 0.295 321 I C -0.517 175.633 176.117 0.055 0.000 1.078 321 I CA -0.612 60.611 61.300 -0.127 0.000 1.048 321 I CB 2.294 40.269 38.000 -0.041 0.000 1.239 321 I HN 0.646 nan 8.210 nan 0.000 0.421 322 S N 6.626 122.433 115.700 0.179 0.000 2.552 322 S HA 0.706 5.177 4.470 0.001 0.000 0.314 322 S C -0.923 173.759 174.600 0.138 0.000 1.099 322 S CA -0.477 57.832 58.200 0.182 0.000 1.070 322 S CB 0.626 63.980 63.200 0.255 0.000 0.998 322 S HN 0.451 nan 8.310 nan 0.000 0.474 323 I N 4.688 125.317 120.570 0.097 0.000 2.420 323 I HA 0.411 4.581 4.170 0.001 0.000 0.282 323 I C -0.170 175.996 176.117 0.081 0.000 1.019 323 I CA -0.600 60.759 61.300 0.098 0.000 1.130 323 I CB 1.653 39.727 38.000 0.124 0.000 1.262 323 I HN 0.482 nan 8.210 nan 0.000 0.454 324 K N 5.766 126.218 120.400 0.087 0.000 2.211 324 K HA 0.600 4.921 4.320 0.001 0.000 0.275 324 K C -0.292 176.369 176.600 0.102 0.000 1.024 324 K CA -0.207 56.138 56.287 0.096 0.000 0.887 324 K CB 1.234 33.779 32.500 0.075 0.000 1.084 324 K HN 0.754 nan 8.250 nan 0.000 0.463 325 T N -0.354 114.288 114.554 0.146 0.000 2.864 325 T HA 0.227 4.577 4.350 0.001 0.000 0.289 325 T C 0.984 175.742 174.700 0.097 0.000 1.082 325 T CA -0.934 61.241 62.100 0.125 0.000 1.009 325 T CB 1.436 70.406 68.868 0.171 0.000 1.234 325 T HN 0.605 nan 8.240 nan 0.000 0.526 326 K N 0.257 120.690 120.400 0.056 0.000 2.044 326 K HA -0.173 4.148 4.320 0.001 0.000 0.210 326 K C 2.146 178.751 176.600 0.008 0.000 1.049 326 K CA 1.512 57.814 56.287 0.025 0.000 0.927 326 K CB -0.160 32.345 32.500 0.008 0.000 0.713 326 K HN 0.609 nan 8.250 nan 0.000 0.443 327 R N -0.986 119.509 120.500 -0.009 0.000 2.075 327 R HA -0.055 4.286 4.340 0.001 0.000 0.226 327 R C 0.511 176.720 176.300 -0.152 0.000 1.114 327 R CA 0.870 56.900 56.100 -0.116 0.000 0.972 327 R CB -0.082 30.087 30.300 -0.218 0.000 0.869 327 R HN 0.144 nan 8.270 nan 0.000 0.437 328 Y N 1.490 121.808 120.300 0.029 0.000 2.650 328 Y HA 0.029 4.579 4.550 0.001 0.000 0.343 328 Y C 1.392 177.311 175.900 0.033 0.000 1.078 328 Y CA -0.360 57.765 58.100 0.042 0.000 1.356 328 Y CB 0.674 39.177 38.460 0.072 0.000 1.204 328 Y HN 0.125 nan 8.280 nan 0.000 0.508 329 T N -2.174 112.451 114.554 0.119 0.000 3.051 329 T HA -0.060 4.291 4.350 0.001 0.000 0.269 329 T C 0.406 175.160 174.700 0.090 0.000 1.127 329 T CA 0.424 62.573 62.100 0.081 0.000 1.107 329 T CB -0.272 68.621 68.868 0.041 0.000 0.898 329 T HN 0.502 nan 8.240 nan 0.000 0.517 330 N N 2.966 121.741 118.700 0.125 0.000 2.479 330 N HA 0.325 5.065 4.740 0.001 0.000 0.261 330 N C -2.925 172.659 175.510 0.124 0.000 0.979 330 N CA -2.014 51.095 53.050 0.099 0.000 0.930 330 N CB 1.742 40.280 38.487 0.085 0.000 1.172 330 N HN 0.206 nan 8.380 nan 0.000 0.499 331 P HA -0.092 nan 4.420 nan 0.000 0.263 331 P C -0.250 177.053 177.300 0.004 0.000 1.175 331 P CA 0.131 63.264 63.100 0.056 0.000 0.761 331 P CB 0.838 32.566 31.700 0.048 0.000 0.794 332 V N 4.298 124.171 119.914 -0.068 0.000 2.686 332 V HA 0.122 4.242 4.120 0.001 0.000 0.295 332 V C 0.660 176.710 176.094 -0.074 0.000 1.055 332 V CA -0.087 62.119 62.300 -0.156 0.000 1.050 332 V CB 1.439 33.083 31.823 -0.298 0.000 0.984 332 V HN 0.297 nan 8.190 nan 0.000 0.482 333 V N 6.390 126.254 119.914 -0.084 0.000 2.483 333 V HA 0.524 4.645 4.120 0.001 0.000 0.297 333 V C -0.376 175.659 176.094 -0.098 0.000 1.027 333 V CA -0.396 61.878 62.300 -0.043 0.000 0.855 333 V CB 1.686 33.511 31.823 0.004 0.000 0.995 333 V HN 0.651 nan 8.190 nan 0.000 0.424 334 I N 5.593 126.099 120.570 -0.106 0.000 2.418 334 I HA 0.572 4.742 4.170 0.001 0.000 0.287 334 I C -0.193 175.851 176.117 -0.122 0.000 1.008 334 I CA -0.316 60.905 61.300 -0.132 0.000 1.104 334 I CB 1.765 39.673 38.000 -0.154 0.000 1.264 334 I HN 0.814 nan 8.210 nan 0.000 0.438 335 Q N 5.486 125.220 119.800 -0.111 0.000 2.456 335 Q HA 0.942 5.283 4.340 0.001 0.000 0.283 335 Q C -0.709 175.240 176.000 -0.085 0.000 1.084 335 Q CA -0.955 54.779 55.803 -0.117 0.000 0.801 335 Q CB 3.428 32.093 28.738 -0.122 0.000 1.434 335 Q HN 0.761 nan 8.270 nan 0.000 0.419 336 G N -0.135 108.619 108.800 -0.076 0.000 2.341 336 G HA2 0.438 4.398 3.960 0.001 0.000 0.293 336 G HA3 0.438 4.398 3.960 0.001 0.000 0.293 336 G C -1.432 173.446 174.900 -0.037 0.000 1.298 336 G CA -0.547 44.524 45.100 -0.049 0.000 0.868 336 G HN 0.939 nan 8.290 nan 0.000 0.540 337 A N -0.861 121.945 122.820 -0.022 0.000 2.561 337 A HA 0.532 4.853 4.320 0.001 0.000 0.234 337 A C 1.360 178.940 177.584 -0.007 0.000 1.055 337 A CA 1.368 53.398 52.037 -0.012 0.000 0.756 337 A CB 0.258 19.250 19.000 -0.013 0.000 0.986 337 A HN 2.296 nan 8.150 nan 0.000 0.505 338 G N 0.271 109.074 108.800 0.006 0.000 3.774 338 G HA2 0.617 4.578 3.960 0.001 0.000 0.287 338 G HA3 0.617 4.578 3.960 0.001 0.000 0.287 338 G C 0.054 174.979 174.900 0.041 0.000 1.030 338 G CA 0.889 46.005 45.100 0.026 0.000 0.824 338 G HN 1.777 nan 8.290 nan 0.000 0.518 339 A N -1.280 121.554 122.820 0.022 0.000 2.567 339 A HA 0.913 5.234 4.320 0.001 0.000 0.291 339 A C -0.235 177.347 177.584 -0.003 0.000 1.048 339 A CA 0.035 52.084 52.037 0.020 0.000 0.661 339 A CB 0.850 19.864 19.000 0.023 0.000 1.288 339 A HN 1.932 nan 8.150 nan 0.000 0.424 340 G N -1.421 107.377 108.800 -0.003 0.000 2.535 340 G HA2 0.558 4.519 3.960 0.001 0.000 0.662 340 G HA3 0.558 4.519 3.960 0.001 0.000 0.662 340 G C 0.508 175.412 174.900 0.006 0.000 1.417 340 G CA 0.645 45.736 45.100 -0.015 0.000 0.866 340 G HN 2.225 nan 8.290 nan 0.000 0.647 341 A N 1.444 124.269 122.820 0.009 0.000 1.849 341 A HA 0.250 4.571 4.320 0.001 0.000 0.217 341 A C 2.974 180.581 177.584 0.038 0.000 1.202 341 A CA 3.745 55.800 52.037 0.031 0.000 0.629 341 A CB -1.085 17.936 19.000 0.035 0.000 0.834 341 A HN 2.501 nan 8.150 nan 0.000 0.447 342 A N -0.974 121.862 122.820 0.027 0.000 1.883 342 A HA -0.053 4.267 4.320 0.001 0.000 0.217 342 A C 2.273 179.872 177.584 0.025 0.000 1.186 342 A CA 2.036 54.089 52.037 0.026 0.000 0.624 342 A CB -1.163 17.844 19.000 0.012 0.000 0.822 342 A HN 0.500 nan 8.150 nan 0.000 0.444 343 V N -0.265 119.658 119.914 0.015 0.000 2.392 343 V HA -0.225 3.895 4.120 0.001 0.000 0.249 343 V C 2.710 178.819 176.094 0.025 0.000 1.059 343 V CA 2.487 64.795 62.300 0.013 0.000 1.051 343 V CB -1.013 30.812 31.823 0.004 0.000 0.658 343 V HN 0.645 nan 8.190 nan 0.000 0.455 344 T N -0.206 114.368 114.554 0.033 0.000 2.942 344 T HA 0.010 4.361 4.350 0.001 0.000 0.265 344 T C 2.003 176.739 174.700 0.061 0.000 1.062 344 T CA 1.166 63.292 62.100 0.043 0.000 1.139 344 T CB -0.206 68.688 68.868 0.043 0.000 0.883 344 T HN 0.553 nan 8.240 nan 0.000 0.468 345 A N 1.823 124.691 122.820 0.080 0.000 1.855 345 A HA 0.196 4.517 4.320 0.001 0.000 0.215 345 A C 2.691 180.356 177.584 0.136 0.000 1.191 345 A CA 1.729 53.852 52.037 0.144 0.000 0.613 345 A CB -1.293 17.791 19.000 0.142 0.000 0.829 345 A HN 0.470 nan 8.150 nan 0.000 0.442 346 A N -0.452 122.410 122.820 0.071 0.000 1.927 346 A HA -0.039 4.281 4.320 0.001 0.000 0.220 346 A C 2.413 180.025 177.584 0.046 0.000 1.185 346 A CA 2.342 54.404 52.037 0.041 0.000 0.639 346 A CB -1.511 17.497 19.000 0.015 0.000 0.820 346 A HN 0.819 nan 8.150 nan 0.000 0.451 347 G N -0.783 108.044 108.800 0.046 0.000 2.421 347 G HA2 -0.109 3.852 3.960 0.001 0.000 0.216 347 G HA3 -0.109 3.852 3.960 0.001 0.000 0.216 347 G C 1.512 176.439 174.900 0.045 0.000 1.171 347 G CA 1.259 46.381 45.100 0.037 0.000 0.775 347 G HN 0.367 nan 8.290 nan 0.000 0.543 348 V N 0.690 120.638 119.914 0.056 0.000 2.343 348 V HA -0.125 3.996 4.120 0.001 0.000 0.247 348 V C 2.681 178.830 176.094 0.091 0.000 1.051 348 V CA 1.544 63.855 62.300 0.019 0.000 1.036 348 V CB -0.453 31.308 31.823 -0.103 0.000 0.654 348 V HN 0.322 nan 8.190 nan 0.000 0.451 349 L N 1.446 122.802 121.223 0.222 0.000 2.056 349 L HA 0.021 4.361 4.340 0.001 0.000 0.207 349 L C 2.386 179.284 176.870 0.047 0.000 1.078 349 L CA 2.278 57.249 54.840 0.219 0.000 0.749 349 L CB -1.399 40.711 42.059 0.086 0.000 0.901 349 L HN 0.273 nan 8.230 nan 0.000 0.433 350 G N -0.923 107.891 108.800 0.023 0.000 2.476 350 G HA2 -0.326 3.635 3.960 0.001 0.000 0.218 350 G HA3 -0.326 3.635 3.960 0.001 0.000 0.218 350 G C 1.325 176.202 174.900 -0.038 0.000 1.164 350 G CA 1.011 46.105 45.100 -0.010 0.000 0.768 350 G HN 0.413 nan 8.290 nan 0.000 0.560 351 D N 0.046 120.431 120.400 -0.026 0.000 2.117 351 D HA -0.079 4.561 4.640 0.001 0.000 0.197 351 D C 2.821 179.024 176.300 -0.161 0.000 0.987 351 D CA 0.779 54.715 54.000 -0.107 0.000 0.829 351 D CB -0.528 40.288 40.800 0.027 0.000 0.961 351 D HN 0.183 nan 8.370 nan 0.000 0.460 352 V N 1.381 121.280 119.914 -0.026 0.000 2.324 352 V HA -0.251 3.870 4.120 0.001 0.000 0.250 352 V C 2.510 178.645 176.094 0.069 0.000 1.060 352 V CA 1.243 63.572 62.300 0.048 0.000 1.042 352 V CB -0.388 31.528 31.823 0.155 0.000 0.650 352 V HN 0.219 nan 8.190 nan 0.000 0.450 353 I N -0.663 119.915 120.570 0.013 0.000 2.252 353 I HA -0.231 3.939 4.170 0.001 0.000 0.245 353 I C 2.524 178.622 176.117 -0.031 0.000 1.102 353 I CA 1.556 62.892 61.300 0.060 0.000 1.385 353 I CB -0.416 37.581 38.000 -0.006 0.000 1.064 353 I HN 0.236 nan 8.210 nan 0.000 0.414 354 K N 0.688 120.989 120.400 -0.165 0.000 2.209 354 K HA -0.096 4.224 4.320 0.001 0.000 0.204 354 K C 2.007 178.365 176.600 -0.404 0.000 1.048 354 K CA 1.193 57.310 56.287 -0.284 0.000 0.940 354 K CB -0.004 32.266 32.500 -0.383 0.000 0.729 354 K HN 0.322 nan 8.250 nan 0.000 0.451 355 I N 0.310 120.635 120.570 -0.408 0.000 2.235 355 I HA -0.196 3.975 4.170 0.001 0.000 0.241 355 I C 2.419 178.465 176.117 -0.119 0.000 1.085 355 I CA 0.841 61.960 61.300 -0.301 0.000 1.378 355 I CB -0.343 37.564 38.000 -0.155 0.000 1.076 355 I HN 0.098 nan 8.210 nan 0.000 0.415 356 A N 0.357 123.158 122.820 -0.032 0.000 1.940 356 A HA -0.276 4.045 4.320 0.001 0.000 0.219 356 A C 2.225 179.769 177.584 -0.067 0.000 1.176 356 A CA 1.664 53.677 52.037 -0.041 0.000 0.631 356 A CB -0.699 18.267 19.000 -0.056 0.000 0.814 356 A HN 0.506 nan 8.150 nan 0.000 0.446 357 Q N -0.381 119.381 119.800 -0.063 0.000 2.181 357 Q HA -0.133 4.207 4.340 0.001 0.000 0.205 357 Q C 1.236 177.187 176.000 -0.081 0.000 0.980 357 Q CA 0.875 56.639 55.803 -0.064 0.000 0.862 357 Q CB -0.089 28.613 28.738 -0.060 0.000 0.905 357 Q HN 0.649 nan 8.270 nan 0.000 0.429 358 R N -0.215 120.207 120.500 -0.129 0.000 2.650 358 R HA 0.285 4.626 4.340 0.001 0.000 0.232 358 R C 0.087 176.376 176.300 -0.019 0.000 1.247 358 R CA -0.839 55.178 56.100 -0.137 0.000 1.061 358 R CB 0.033 30.086 30.300 -0.412 0.000 1.279 358 R HN -0.098 nan 8.270 nan 0.000 0.549 359 L N 0.000 121.287 121.223 0.107 0.000 2.949 359 L HA 0.000 4.341 4.340 0.001 0.000 0.249 359 L CA 0.000 54.914 54.840 0.124 0.000 0.813 359 L CB 0.000 42.120 42.059 0.102 0.000 0.961 359 L HN 0.000 nan 8.230 nan 0.000 0.502