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 1e1r_1_B DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAXX XXXXXXLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLGKI RTDGKISEES DAKLKEIVTN FLAGFEA 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.286 176.300 -0.023 0.000 2.045 24 D CA 0.000 53.993 54.000 -0.011 0.000 0.868 24 D CB 0.000 40.792 40.800 -0.013 0.000 0.688 25 L N 1.336 122.542 121.223 -0.028 0.000 2.700 25 L HA 0.052 4.392 4.340 0.000 0.000 0.240 25 L C 1.826 178.656 176.870 -0.068 0.000 1.162 25 L CA 0.570 55.374 54.840 -0.059 0.000 0.874 25 L CB 0.039 42.053 42.059 -0.076 0.000 1.001 25 L HN 0.288 nan 8.230 nan 0.000 0.447 26 E N -0.065 120.107 120.200 -0.047 0.000 2.127 26 E HA -0.028 4.322 4.350 0.000 0.000 0.191 26 E C 1.326 177.900 176.600 -0.044 0.000 0.964 26 E CA 0.681 57.055 56.400 -0.044 0.000 0.832 26 E CB 0.303 29.984 29.700 -0.031 0.000 0.790 26 E HN 0.438 nan 8.360 nan 0.000 0.465 27 E N 0.625 120.801 120.200 -0.040 0.000 2.526 27 E HA 0.137 4.487 4.350 0.000 0.000 0.208 27 E C 0.069 176.639 176.600 -0.050 0.000 0.997 27 E CA 0.263 56.638 56.400 -0.040 0.000 0.961 27 E CB 1.258 30.940 29.700 -0.030 0.000 1.030 27 E HN 0.074 nan 8.360 nan 0.000 0.483 28 T N -0.701 113.822 114.554 -0.052 0.000 2.883 28 T HA 0.739 5.089 4.350 0.000 0.000 0.296 28 T C 0.062 174.724 174.700 -0.063 0.000 1.117 28 T CA -0.774 61.292 62.100 -0.057 0.000 1.006 28 T CB 2.327 71.174 68.868 -0.036 0.000 1.191 28 T HN 0.070 nan 8.240 nan 0.000 0.508 29 G N 0.189 108.952 108.800 -0.060 0.000 2.695 29 G HA2 0.703 4.663 3.960 0.000 0.000 0.290 29 G HA3 0.703 4.663 3.960 0.000 0.000 0.290 29 G C -1.731 173.176 174.900 0.011 0.000 1.410 29 G CA -1.025 44.051 45.100 -0.039 0.000 0.844 29 G HN 0.637 nan 8.290 nan 0.000 0.478 30 R N -0.115 120.432 120.500 0.078 0.000 2.534 30 R HA 0.480 4.820 4.340 0.000 0.000 0.301 30 R C -0.827 175.542 176.300 0.114 0.000 0.961 30 R CA -0.780 55.377 56.100 0.096 0.000 0.871 30 R CB 2.647 33.013 30.300 0.111 0.000 1.170 30 R HN 0.295 nan 8.270 nan 0.000 0.446 31 V N 5.457 125.440 119.914 0.114 0.000 2.450 31 V HA -0.044 4.076 4.120 0.000 0.000 0.281 31 V C 1.673 177.818 176.094 0.085 0.000 1.019 31 V CA 0.475 62.852 62.300 0.128 0.000 1.062 31 V CB 0.281 32.205 31.823 0.168 0.000 0.979 31 V HN 0.760 nan 8.190 nan 0.000 0.477 32 L N 3.959 125.230 121.223 0.080 0.000 2.023 32 L HA 0.044 4.384 4.340 0.000 0.000 0.205 32 L C 1.013 177.900 176.870 0.028 0.000 1.073 32 L CA 1.261 56.127 54.840 0.042 0.000 0.745 32 L CB -0.033 42.052 42.059 0.044 0.000 0.900 32 L HN 0.850 nan 8.230 nan 0.000 0.435 33 S N -1.285 114.435 115.700 0.034 0.000 2.537 33 S HA 0.620 5.090 4.470 0.000 0.000 0.270 33 S C -1.009 173.599 174.600 0.013 0.000 1.142 33 S CA -0.813 57.397 58.200 0.017 0.000 0.870 33 S CB 2.606 65.810 63.200 0.007 0.000 1.112 33 S HN 0.056 nan 8.310 nan 0.000 0.466 34 I N 0.603 121.170 120.570 -0.005 0.000 2.571 34 I HA 0.870 5.040 4.170 0.000 0.000 0.289 34 I C -0.357 175.739 176.117 -0.034 0.000 1.115 34 I CA 0.562 61.846 61.300 -0.026 0.000 1.045 34 I CB 1.481 39.453 38.000 -0.048 0.000 1.238 34 I HN 1.449 nan 8.210 nan 0.000 0.424 35 G N 4.407 113.182 108.800 -0.041 0.000 2.358 35 G HA2 0.333 4.293 3.960 0.000 0.000 0.303 35 G HA3 0.333 4.293 3.960 0.000 0.000 0.303 35 G C -1.088 173.787 174.900 -0.041 0.000 1.537 35 G CA -0.338 44.739 45.100 -0.039 0.000 0.928 35 G HN 0.718 nan 8.290 nan 0.000 0.656 36 D N -0.813 119.562 120.400 -0.042 0.000 2.837 36 D HA -0.161 4.479 4.640 0.000 0.000 0.230 36 D C 1.838 178.104 176.300 -0.057 0.000 1.152 36 D CA 3.228 57.200 54.000 -0.046 0.000 0.736 36 D CB -1.215 39.559 40.800 -0.044 0.000 1.084 36 D HN 2.288 nan 8.370 nan 0.000 0.429 37 G N -1.057 107.706 108.800 -0.061 0.000 2.562 37 G HA2 -0.366 3.594 3.960 0.000 0.000 0.241 37 G HA3 -0.366 3.594 3.960 0.000 0.000 0.241 37 G C 0.378 175.229 174.900 -0.082 0.000 1.120 37 G CA 0.493 45.549 45.100 -0.074 0.000 0.673 37 G HN 0.470 nan 8.290 nan 0.000 0.519 38 I N 2.382 122.911 120.570 -0.068 0.000 2.395 38 I HA 0.606 4.776 4.170 0.000 0.000 0.289 38 I C 0.928 177.027 176.117 -0.029 0.000 1.023 38 I CA -0.484 60.784 61.300 -0.054 0.000 1.350 38 I CB 0.812 38.783 38.000 -0.047 0.000 1.409 38 I HN 0.479 nan 8.210 nan 0.000 0.507 39 A N 8.196 131.017 122.820 0.002 0.000 2.301 39 A HA 0.638 4.958 4.320 0.000 0.000 0.312 39 A C 0.029 177.656 177.584 0.071 0.000 1.182 39 A CA -0.746 51.318 52.037 0.044 0.000 0.826 39 A CB 0.636 19.694 19.000 0.097 0.000 1.134 39 A HN 0.564 nan 8.150 nan 0.000 0.501 40 R N 1.976 122.512 120.500 0.060 0.000 2.198 40 R HA 0.411 4.751 4.340 0.000 0.000 0.339 40 R C -0.939 175.410 176.300 0.082 0.000 1.020 40 R CA -0.357 55.776 56.100 0.056 0.000 0.864 40 R CB 0.791 31.115 30.300 0.039 0.000 1.105 40 R HN 0.433 nan 8.270 nan 0.000 0.463 41 V N 3.436 123.395 119.914 0.076 0.000 2.427 41 V HA 0.147 4.267 4.120 0.000 0.000 0.286 41 V C -0.001 176.142 176.094 0.082 0.000 1.034 41 V CA -0.879 61.468 62.300 0.078 0.000 0.893 41 V CB 1.403 33.244 31.823 0.029 0.000 0.982 41 V HN 0.655 nan 8.190 nan 0.000 0.452 42 H N 3.152 122.226 119.070 0.006 0.000 2.652 42 H HA 0.658 5.214 4.556 0.000 0.000 0.298 42 H C 0.392 175.715 175.328 -0.008 0.000 1.076 42 H CA 1.072 57.120 56.048 0.000 0.000 1.360 42 H CB 0.640 30.405 29.762 0.004 0.000 1.421 42 H HN 1.028 nan 8.280 nan 0.000 0.464 43 G N 3.201 111.700 108.800 -0.501 0.000 2.408 43 G HA2 -0.173 3.787 3.960 0.000 0.000 0.204 43 G HA3 -0.173 3.787 3.960 0.000 0.000 0.204 43 G C -0.175 174.616 174.900 -0.182 0.000 1.186 43 G CA -0.461 44.417 45.100 -0.370 0.000 1.139 43 G HN 1.103 nan 8.290 nan 0.000 0.563 44 L N -0.212 120.935 121.223 -0.127 0.000 3.737 44 L HA -0.253 4.087 4.340 0.000 0.000 0.418 44 L C 2.231 179.053 176.870 -0.079 0.000 1.216 44 L CA 1.117 55.903 54.840 -0.091 0.000 0.915 44 L CB -1.015 40.993 42.059 -0.085 0.000 1.834 44 L HN 0.708 nan 8.230 nan 0.000 0.943 45 R N 0.101 120.550 120.500 -0.084 0.000 2.154 45 R HA -0.179 4.161 4.340 0.000 0.000 0.248 45 R C 1.417 177.689 176.300 -0.045 0.000 1.155 45 R CA 1.917 57.977 56.100 -0.066 0.000 0.979 45 R CB -0.272 29.990 30.300 -0.062 0.000 0.869 45 R HN 0.562 nan 8.270 nan 0.000 0.452 46 N N 0.452 119.127 118.700 -0.041 0.000 2.270 46 N HA 0.033 4.773 4.740 0.000 0.000 0.198 46 N C -0.074 175.420 175.510 -0.028 0.000 1.117 46 N CA 0.149 53.181 53.050 -0.030 0.000 0.845 46 N CB 0.516 38.987 38.487 -0.026 0.000 0.980 46 N HN 0.021 nan 8.380 nan 0.000 0.486 47 V N -0.226 119.667 119.914 -0.034 0.000 2.872 47 V HA 0.058 4.178 4.120 0.000 0.000 0.307 47 V C 0.609 176.693 176.094 -0.017 0.000 1.072 47 V CA -0.533 61.751 62.300 -0.028 0.000 1.148 47 V CB 0.428 32.231 31.823 -0.032 0.000 0.954 47 V HN 0.072 nan 8.190 nan 0.000 0.490 48 Q N 1.902 121.696 119.800 -0.010 0.000 2.199 48 Q HA 0.686 5.026 4.340 0.000 0.000 0.232 48 Q C 0.052 176.055 176.000 0.004 0.000 0.969 48 Q CA -0.496 55.305 55.803 -0.002 0.000 0.925 48 Q CB 1.289 30.029 28.738 0.002 0.000 1.198 48 Q HN 1.067 nan 8.270 nan 0.000 0.494 49 A N 1.063 123.888 122.820 0.009 0.000 2.362 49 A HA 0.218 4.538 4.320 0.000 0.000 0.276 49 A C -0.041 177.557 177.584 0.024 0.000 1.153 49 A CA -0.030 52.017 52.037 0.016 0.000 0.813 49 A CB -0.112 18.898 19.000 0.018 0.000 1.081 49 A HN 0.924 nan 8.150 nan 0.000 0.507 50 E N -0.380 119.841 120.200 0.034 0.000 3.898 50 E HA -0.181 4.169 4.350 0.000 0.000 0.328 50 E C 0.145 176.778 176.600 0.055 0.000 0.770 50 E CA 1.159 57.590 56.400 0.051 0.000 1.267 50 E CB -1.375 28.351 29.700 0.043 0.000 1.646 50 E HN 0.937 nan 8.360 nan 0.000 0.420 51 E N 0.646 120.870 120.200 0.040 0.000 2.343 51 E HA 0.262 4.612 4.350 0.000 0.000 0.269 51 E C 0.129 176.762 176.600 0.055 0.000 1.047 51 E CA -0.464 55.959 56.400 0.037 0.000 0.874 51 E CB 0.702 30.410 29.700 0.014 0.000 1.033 51 E HN -0.033 nan 8.360 nan 0.000 0.409 52 M N 3.344 122.984 119.600 0.065 0.000 2.250 52 M HA 0.204 4.684 4.480 0.000 0.000 0.344 52 M C -0.291 176.025 176.300 0.027 0.000 1.150 52 M CA -0.465 54.888 55.300 0.088 0.000 1.147 52 M CB 1.043 33.707 32.600 0.106 0.000 1.498 52 M HN 0.485 nan 8.290 nan 0.000 0.461 53 V N 0.541 120.458 119.914 0.006 0.000 2.962 53 V HA 0.650 4.770 4.120 0.000 0.000 0.313 53 V C -0.739 175.290 176.094 -0.110 0.000 1.099 53 V CA -0.939 61.306 62.300 -0.092 0.000 0.971 53 V CB 2.253 33.962 31.823 -0.189 0.000 1.028 53 V HN 0.848 nan 8.190 nan 0.000 0.430 54 E N 1.875 121.984 120.200 -0.152 0.000 2.183 54 E HA 0.583 4.933 4.350 0.000 0.000 0.271 54 E C -1.659 174.817 176.600 -0.206 0.000 0.919 54 E CA -0.447 55.904 56.400 -0.082 0.000 0.781 54 E CB 2.395 32.090 29.700 -0.010 0.000 1.140 54 E HN 0.640 nan 8.360 nan 0.000 0.402 55 F N 0.761 120.729 119.950 0.030 0.000 2.397 55 F HA 0.077 4.604 4.527 0.000 0.000 0.331 55 F C 1.700 177.513 175.800 0.022 0.000 1.090 55 F CA -0.209 57.804 58.000 0.023 0.000 1.065 55 F CB 1.513 40.526 39.000 0.022 0.000 1.184 55 F HN 0.465 nan 8.300 nan 0.000 0.499 56 S N -0.022 115.797 115.700 0.199 0.000 2.400 56 S HA -0.272 4.198 4.470 0.000 0.000 0.234 56 S C 1.768 176.438 174.600 0.117 0.000 1.049 56 S CA 1.750 60.023 58.200 0.120 0.000 1.039 56 S CB -0.755 62.507 63.200 0.105 0.000 0.856 56 S HN 0.705 nan 8.310 nan 0.000 0.465 57 S N 0.556 116.344 115.700 0.146 0.000 2.720 57 S HA 0.436 4.906 4.470 0.000 0.000 0.222 57 S C 1.521 176.181 174.600 0.100 0.000 0.958 57 S CA 0.409 58.667 58.200 0.097 0.000 0.943 57 S CB -0.358 62.879 63.200 0.062 0.000 0.779 57 S HN 1.012 nan 8.310 nan 0.000 0.526 58 G N 0.217 109.092 108.800 0.124 0.000 2.205 58 G HA2 -0.241 3.719 3.960 0.000 0.000 0.261 58 G HA3 -0.241 3.719 3.960 0.000 0.000 0.261 58 G C -0.065 174.916 174.900 0.136 0.000 0.980 58 G CA 0.146 45.309 45.100 0.106 0.000 0.632 58 G HN 0.499 nan 8.290 nan 0.000 0.533 59 L N 1.220 122.548 121.223 0.175 0.000 2.456 59 L HA 0.511 4.851 4.340 0.000 0.000 0.272 59 L C 0.837 177.906 176.870 0.332 0.000 1.189 59 L CA 0.342 55.302 54.840 0.199 0.000 0.846 59 L CB 0.656 42.772 42.059 0.095 0.000 1.111 59 L HN 0.296 nan 8.230 nan 0.000 0.475 60 K N 1.784 122.368 120.400 0.307 0.000 2.166 60 K HA 0.812 5.132 4.320 0.000 0.000 0.245 60 K C -0.161 176.692 176.600 0.421 0.000 0.967 60 K CA -0.696 55.793 56.287 0.337 0.000 0.863 60 K CB 1.683 34.346 32.500 0.271 0.000 1.107 60 K HN 0.774 nan 8.250 nan 0.000 0.436 61 G N 0.471 109.479 108.800 0.347 0.000 2.708 61 G HA2 0.595 4.555 3.960 0.000 0.000 0.289 61 G HA3 0.595 4.555 3.960 0.000 0.000 0.289 61 G C -1.800 173.159 174.900 0.098 0.000 1.416 61 G CA -0.752 44.455 45.100 0.179 0.000 0.829 61 G HN 0.501 nan 8.290 nan 0.000 0.480 62 M N 0.911 120.463 119.600 -0.080 0.000 2.259 62 M HA 0.508 4.988 4.480 0.000 0.000 0.304 62 M C -0.649 175.648 176.300 -0.005 0.000 1.019 62 M CA -0.549 54.769 55.300 0.030 0.000 0.922 62 M CB 1.878 34.542 32.600 0.107 0.000 1.600 62 M HN 0.349 nan 8.290 nan 0.000 0.433 63 S N 4.932 120.643 115.700 0.017 0.000 2.437 63 S HA 0.085 4.555 4.470 0.000 0.000 0.304 63 S C 0.567 175.176 174.600 0.015 0.000 1.167 63 S CA -0.472 57.730 58.200 0.005 0.000 1.106 63 S CB 0.265 63.464 63.200 -0.001 0.000 1.099 63 S HN 0.694 nan 8.310 nan 0.000 0.524 64 L N 4.764 125.991 121.223 0.006 0.000 2.189 64 L HA 0.328 4.668 4.340 0.000 0.000 0.199 64 L C 0.083 176.962 176.870 0.015 0.000 1.074 64 L CA 1.470 56.319 54.840 0.015 0.000 0.783 64 L CB -0.099 41.960 42.059 -0.000 0.000 0.955 64 L HN 0.484 nan 8.230 nan 0.000 0.460 65 N N 0.406 119.109 118.700 0.006 0.000 2.479 65 N HA 0.400 5.140 4.740 0.000 0.000 0.261 65 N C -1.345 174.167 175.510 0.004 0.000 0.979 65 N CA -0.285 52.769 53.050 0.007 0.000 0.930 65 N CB 1.200 39.689 38.487 0.003 0.000 1.172 65 N HN 0.088 nan 8.380 nan 0.000 0.499 66 L N 2.656 123.881 121.223 0.004 0.000 2.302 66 L HA 0.281 4.621 4.340 0.000 0.000 0.285 66 L C 0.292 177.161 176.870 -0.001 0.000 1.090 66 L CA -0.064 54.775 54.840 -0.002 0.000 0.866 66 L CB -0.115 41.942 42.059 -0.003 0.000 1.244 66 L HN 0.459 nan 8.230 nan 0.000 0.435 67 E N 3.525 123.725 120.200 0.000 0.000 2.250 67 E HA 0.250 4.600 4.350 0.000 0.000 0.265 67 E C -1.578 175.022 176.600 0.001 0.000 1.033 67 E CA -1.851 54.551 56.400 0.003 0.000 0.888 67 E CB 1.237 30.941 29.700 0.007 0.000 1.151 67 E HN 0.254 nan 8.360 nan 0.000 0.412 68 P HA -0.197 nan 4.420 nan 0.000 0.216 68 P C 0.473 177.776 177.300 0.005 0.000 1.150 68 P CA 1.429 64.530 63.100 0.002 0.000 0.843 68 P CB 0.145 31.849 31.700 0.006 0.000 0.787 69 D N -2.091 118.320 120.400 0.017 0.000 2.433 69 D HA 0.060 4.700 4.640 0.000 0.000 0.211 69 D C 0.128 176.460 176.300 0.054 0.000 1.114 69 D CA -0.133 53.891 54.000 0.040 0.000 0.837 69 D CB -0.409 40.422 40.800 0.051 0.000 0.984 69 D HN 0.350 nan 8.370 nan 0.000 0.505 70 N N -1.620 117.095 118.700 0.024 0.000 3.355 70 N HA 0.333 5.073 4.740 0.000 0.000 0.238 70 N C -2.135 173.378 175.510 0.006 0.000 1.466 70 N CA -0.943 52.123 53.050 0.027 0.000 0.882 70 N CB 1.514 40.032 38.487 0.051 0.000 1.406 70 N HN -0.207 nan 8.380 nan 0.000 0.500 71 V N -0.037 119.881 119.914 0.006 0.000 2.444 71 V HA 0.776 4.896 4.120 0.000 0.000 0.294 71 V C 0.420 176.521 176.094 0.012 0.000 1.022 71 V CA -0.528 61.772 62.300 -0.001 0.000 0.850 71 V CB 1.284 33.095 31.823 -0.019 0.000 0.992 71 V HN 0.900 nan 8.190 nan 0.000 0.426 72 G N 3.703 112.508 108.800 0.009 0.000 2.333 72 G HA2 0.521 4.481 3.960 0.000 0.000 0.290 72 G HA3 0.521 4.481 3.960 0.000 0.000 0.290 72 G C -0.681 174.224 174.900 0.008 0.000 1.150 72 G CA -0.202 44.903 45.100 0.010 0.000 0.895 72 G HN 0.533 nan 8.290 nan 0.000 0.444 73 V N 3.418 123.350 119.914 0.031 0.000 2.435 73 V HA 0.232 4.352 4.120 0.000 0.000 0.290 73 V C 0.234 176.315 176.094 -0.023 0.000 1.030 73 V CA -0.757 61.565 62.300 0.036 0.000 0.881 73 V CB 1.804 33.718 31.823 0.151 0.000 0.983 73 V HN 0.495 nan 8.190 nan 0.000 0.445 74 V N 6.031 125.871 119.914 -0.123 0.000 2.427 74 V HA 0.178 4.298 4.120 0.000 0.000 0.268 74 V C 0.195 176.057 176.094 -0.386 0.000 1.046 74 V CA -0.194 61.953 62.300 -0.256 0.000 0.970 74 V CB 1.530 33.158 31.823 -0.325 0.000 1.001 74 V HN 0.630 nan 8.190 nan 0.000 0.476 75 V N 6.843 126.604 119.914 -0.256 0.000 2.408 75 V HA 0.239 4.359 4.120 0.000 0.000 0.267 75 V C 0.200 176.196 176.094 -0.163 0.000 1.047 75 V CA -0.253 61.931 62.300 -0.193 0.000 0.937 75 V CB 0.689 32.385 31.823 -0.212 0.000 0.999 75 V HN 0.697 nan 8.190 nan 0.000 0.472 76 F N 4.847 124.855 119.950 0.096 0.000 2.705 76 F HA 0.583 5.110 4.527 0.000 0.000 0.355 76 F C 1.149 176.985 175.800 0.061 0.000 1.172 76 F CA 0.173 58.230 58.000 0.094 0.000 1.332 76 F CB -0.212 38.855 39.000 0.110 0.000 1.621 76 F HN 0.692 nan 8.300 nan 0.000 0.605 77 G N 0.115 109.012 108.800 0.162 0.000 2.333 77 G HA2 -0.008 3.952 3.960 0.000 0.000 0.288 77 G HA3 -0.008 3.952 3.960 0.000 0.000 0.288 77 G C -1.365 173.549 174.900 0.022 0.000 1.286 77 G CA -1.246 43.911 45.100 0.096 0.000 0.865 77 G HN -0.009 nan 8.290 nan 0.000 0.506 78 N N 1.615 120.319 118.700 0.007 0.000 2.423 78 N HA 0.075 4.815 4.740 0.000 0.000 0.275 78 N C 1.209 176.677 175.510 -0.071 0.000 1.283 78 N CA 0.459 53.496 53.050 -0.021 0.000 0.932 78 N CB 0.819 39.300 38.487 -0.011 0.000 1.185 78 N HN 0.549 nan 8.380 nan 0.000 0.483 79 D N 3.358 123.705 120.400 -0.089 0.000 2.378 79 D HA -0.199 4.441 4.640 0.000 0.000 0.222 79 D C 1.258 177.485 176.300 -0.121 0.000 0.980 79 D CA 0.667 54.579 54.000 -0.146 0.000 0.907 79 D CB -0.031 40.689 40.800 -0.133 0.000 0.899 79 D HN 0.731 nan 8.370 nan 0.000 0.527 80 K N 1.173 121.526 120.400 -0.078 0.000 2.283 80 K HA -0.095 4.225 4.320 0.000 0.000 0.202 80 K C 1.589 178.151 176.600 -0.062 0.000 1.048 80 K CA 0.515 56.768 56.287 -0.058 0.000 0.948 80 K CB -0.351 32.128 32.500 -0.035 0.000 0.742 80 K HN 0.191 nan 8.250 nan 0.000 0.458 81 L N 1.916 123.093 121.223 -0.077 0.000 2.682 81 L HA 0.277 4.617 4.340 0.000 0.000 0.240 81 L C 0.250 177.061 176.870 -0.098 0.000 1.178 81 L CA -0.038 54.762 54.840 -0.066 0.000 0.970 81 L CB -0.290 41.738 42.059 -0.051 0.000 1.179 81 L HN 0.177 nan 8.230 nan 0.000 0.435 82 I N -0.157 120.339 120.570 -0.124 0.000 2.608 82 I HA 0.368 4.538 4.170 0.000 0.000 0.295 82 I C -0.403 175.680 176.117 -0.057 0.000 1.049 82 I CA -0.661 60.558 61.300 -0.135 0.000 1.063 82 I CB 2.268 40.081 38.000 -0.310 0.000 1.248 82 I HN 0.039 nan 8.210 nan 0.000 0.424 83 K N 3.732 124.128 120.400 -0.006 0.000 2.443 83 K HA 0.361 4.681 4.320 0.000 0.000 0.251 83 K C -0.906 175.712 176.600 0.030 0.000 0.972 83 K CA -0.951 55.340 56.287 0.007 0.000 0.833 83 K CB 2.569 35.075 32.500 0.010 0.000 1.317 83 K HN 0.528 nan 8.250 nan 0.000 0.441 84 E N 0.225 120.438 120.200 0.021 0.000 2.465 84 E HA -0.002 4.348 4.350 0.000 0.000 0.260 84 E C 0.516 177.137 176.600 0.034 0.000 0.980 84 E CA 1.411 57.828 56.400 0.028 0.000 0.927 84 E CB 0.131 29.838 29.700 0.012 0.000 0.934 84 E HN 0.784 nan 8.360 nan 0.000 0.459 85 G N 4.130 112.958 108.800 0.046 0.000 2.259 85 G HA2 -0.221 3.739 3.960 0.000 0.000 0.217 85 G HA3 -0.221 3.739 3.960 0.000 0.000 0.217 85 G C -0.222 174.714 174.900 0.060 0.000 1.001 85 G CA -0.026 45.100 45.100 0.043 0.000 0.627 85 G HN 0.648 nan 8.290 nan 0.000 0.501 86 D N 1.237 121.686 120.400 0.082 0.000 2.488 86 D HA 0.385 5.025 4.640 0.000 0.000 0.238 86 D C 0.938 177.299 176.300 0.101 0.000 1.138 86 D CA 0.094 54.158 54.000 0.107 0.000 0.873 86 D CB 0.593 41.494 40.800 0.167 0.000 1.183 86 D HN 0.276 nan 8.370 nan 0.000 0.458 87 I N 1.849 122.462 120.570 0.070 0.000 2.634 87 I HA 0.042 4.212 4.170 0.000 0.000 0.284 87 I C 0.122 176.231 176.117 -0.012 0.000 1.124 87 I CA 0.033 61.351 61.300 0.029 0.000 1.417 87 I CB 0.759 38.769 38.000 0.016 0.000 1.396 87 I HN 0.041 nan 8.210 nan 0.000 0.571 88 V N 6.373 126.231 119.914 -0.092 0.000 2.443 88 V HA 0.436 4.556 4.120 0.000 0.000 0.293 88 V C -0.122 175.861 176.094 -0.186 0.000 1.021 88 V CA -1.020 61.122 62.300 -0.263 0.000 0.848 88 V CB 1.268 32.883 31.823 -0.347 0.000 0.998 88 V HN 0.585 nan 8.190 nan 0.000 0.424 89 K N 3.762 124.058 120.400 -0.174 0.000 2.203 89 K HA 0.650 4.970 4.320 0.000 0.000 0.251 89 K C -0.324 176.212 176.600 -0.107 0.000 0.944 89 K CA -0.915 55.309 56.287 -0.106 0.000 0.829 89 K CB 2.501 34.963 32.500 -0.064 0.000 1.125 89 K HN 0.548 nan 8.250 nan 0.000 0.430 90 R N 0.253 120.708 120.500 -0.075 0.000 2.615 90 R HA 0.047 4.387 4.340 0.000 0.000 0.270 90 R C 1.272 177.550 176.300 -0.036 0.000 1.081 90 R CA 0.161 56.226 56.100 -0.057 0.000 1.154 90 R CB 0.587 30.861 30.300 -0.044 0.000 1.063 90 R HN 0.808 nan 8.270 nan 0.000 0.519 91 T N -2.565 111.975 114.554 -0.022 0.000 2.969 91 T HA 0.152 4.502 4.350 0.000 0.000 0.250 91 T C 1.313 176.010 174.700 -0.005 0.000 1.021 91 T CA 0.429 62.524 62.100 -0.008 0.000 1.003 91 T CB 0.495 69.367 68.868 0.005 0.000 1.040 91 T HN 0.805 nan 8.240 nan 0.000 0.492 92 G N 1.464 110.260 108.800 -0.007 0.000 2.168 92 G HA2 0.002 3.962 3.960 0.000 0.000 0.263 92 G HA3 0.002 3.962 3.960 0.000 0.000 0.263 92 G C 0.201 175.102 174.900 0.002 0.000 0.977 92 G CA 0.042 45.139 45.100 -0.005 0.000 0.659 92 G HN 1.364 nan 8.290 nan 0.000 0.533 93 A N 0.341 123.166 122.820 0.007 0.000 2.331 93 A HA 0.756 5.076 4.320 0.000 0.000 0.320 93 A C 0.215 177.811 177.584 0.020 0.000 1.138 93 A CA -0.761 51.282 52.037 0.011 0.000 0.790 93 A CB 0.913 19.919 19.000 0.011 0.000 1.206 93 A HN 0.506 nan 8.150 nan 0.000 0.470 94 I N 2.585 123.167 120.570 0.018 0.000 2.598 94 I HA 0.010 4.180 4.170 0.000 0.000 0.284 94 I C 0.744 176.879 176.117 0.030 0.000 1.140 94 I CA 0.023 61.338 61.300 0.025 0.000 1.420 94 I CB 0.227 38.237 38.000 0.017 0.000 1.387 94 I HN 0.401 nan 8.210 nan 0.000 0.553 95 V N 7.541 127.487 119.914 0.053 0.000 2.886 95 V HA -0.169 3.951 4.120 0.000 0.000 0.294 95 V C 0.339 176.437 176.094 0.008 0.000 1.219 95 V CA 0.718 63.050 62.300 0.052 0.000 1.334 95 V CB -1.032 30.849 31.823 0.096 0.000 0.828 95 V HN 0.954 nan 8.190 nan 0.000 0.480 96 D N 3.779 124.176 120.400 -0.005 0.000 2.596 96 D HA 0.724 5.364 4.640 0.000 0.000 0.262 96 D C -0.666 175.615 176.300 -0.031 0.000 1.210 96 D CA -0.519 53.471 54.000 -0.017 0.000 0.873 96 D CB 2.190 42.986 40.800 -0.007 0.000 1.408 96 D HN 0.551 nan 8.370 nan 0.000 0.441 97 V N -4.741 115.155 119.914 -0.030 0.000 3.040 97 V HA 0.744 4.864 4.120 0.000 0.000 0.312 97 V C -2.895 173.175 176.094 -0.040 0.000 1.115 97 V CA -2.386 59.891 62.300 -0.039 0.000 0.998 97 V CB 1.668 33.465 31.823 -0.042 0.000 1.042 97 V HN 0.494 nan 8.190 nan 0.000 0.433 98 P HA 0.292 nan 4.420 nan 0.000 0.266 98 P C -0.695 176.553 177.300 -0.087 0.000 1.193 98 P CA 0.254 63.317 63.100 -0.062 0.000 0.770 98 P CB 0.807 32.473 31.700 -0.057 0.000 0.836 99 V N 1.533 121.363 119.914 -0.140 0.000 3.087 99 V HA 0.875 4.995 4.120 0.000 0.000 0.306 99 V C 0.282 176.102 176.094 -0.457 0.000 1.187 99 V CA 0.234 62.395 62.300 -0.231 0.000 0.999 99 V CB 2.095 33.821 31.823 -0.162 0.000 1.049 99 V HN 1.020 nan 8.190 nan 0.000 0.431 100 G N 2.054 110.413 108.800 -0.734 0.000 2.353 100 G HA2 0.039 3.999 3.960 0.000 0.000 0.424 100 G HA3 0.039 3.999 3.960 0.000 0.000 0.424 100 G C -0.066 174.434 174.900 -0.668 0.000 1.320 100 G CA -0.124 44.262 45.100 -1.190 0.000 0.995 100 G HN 0.620 nan 8.290 nan 0.000 0.580 101 E N 0.271 120.155 120.200 -0.527 0.000 2.401 101 E HA -0.120 4.230 4.350 0.000 0.000 0.199 101 E C 1.850 178.413 176.600 -0.063 0.000 1.023 101 E CA 1.204 57.518 56.400 -0.142 0.000 0.859 101 E CB 0.067 29.740 29.700 -0.045 0.000 0.780 101 E HN 0.577 nan 8.360 nan 0.000 0.523 102 E N 0.361 120.490 120.200 -0.119 0.000 2.516 102 E HA -0.130 4.220 4.350 0.000 0.000 0.199 102 E C 1.448 178.027 176.600 -0.035 0.000 1.069 102 E CA 0.502 56.866 56.400 -0.061 0.000 0.876 102 E CB -0.062 29.595 29.700 -0.072 0.000 0.843 102 E HN 0.261 nan 8.360 nan 0.000 0.530 103 L N 0.351 121.557 121.223 -0.030 0.000 2.477 103 L HA 0.145 4.485 4.340 0.000 0.000 0.220 103 L C 1.047 177.948 176.870 0.050 0.000 1.106 103 L CA 0.234 55.076 54.840 0.005 0.000 0.851 103 L CB -0.368 41.691 42.059 0.001 0.000 0.994 103 L HN 0.006 nan 8.230 nan 0.000 0.462 104 L N 0.356 121.631 121.223 0.087 0.000 2.525 104 L HA 0.233 4.573 4.340 0.000 0.000 0.278 104 L C 1.539 178.446 176.870 0.063 0.000 1.218 104 L CA 0.701 55.611 54.840 0.116 0.000 0.878 104 L CB -0.268 41.904 42.059 0.188 0.000 1.127 104 L HN 0.446 nan 8.230 nan 0.000 0.492 105 G N 1.613 110.432 108.800 0.032 0.000 2.184 105 G HA2 -0.230 3.730 3.960 0.000 0.000 0.264 105 G HA3 -0.230 3.730 3.960 0.000 0.000 0.264 105 G C 0.307 175.206 174.900 -0.001 0.000 0.975 105 G CA -0.246 44.852 45.100 -0.003 0.000 0.642 105 G HN 0.464 nan 8.290 nan 0.000 0.536 106 R N -0.285 120.222 120.500 0.012 0.000 2.604 106 R HA 0.659 4.999 4.340 0.000 0.000 0.287 106 R C -0.158 176.150 176.300 0.013 0.000 0.970 106 R CA -0.833 55.272 56.100 0.009 0.000 0.946 106 R CB 1.696 32.001 30.300 0.009 0.000 1.127 106 R HN 0.190 nan 8.270 nan 0.000 0.473 107 V N 3.477 123.397 119.914 0.010 0.000 2.347 107 V HA 0.377 4.497 4.120 0.000 0.000 0.280 107 V C 0.401 176.506 176.094 0.017 0.000 1.021 107 V CA -0.674 61.637 62.300 0.018 0.000 0.847 107 V CB 1.262 33.094 31.823 0.015 0.000 0.990 107 V HN 0.585 nan 8.190 nan 0.000 0.444 108 V N 1.488 121.414 119.914 0.021 0.000 3.158 108 V HA 0.829 4.949 4.120 0.000 0.000 0.315 108 V C -0.325 175.779 176.094 0.017 0.000 1.148 108 V CA -0.860 61.448 62.300 0.014 0.000 1.042 108 V CB 2.119 33.945 31.823 0.006 0.000 1.101 108 V HN 0.747 nan 8.190 nan 0.000 0.448 109 D N 0.819 121.225 120.400 0.011 0.000 2.511 109 D HA 0.542 5.182 4.640 0.000 0.000 0.276 109 D C 1.044 177.340 176.300 -0.007 0.000 1.220 109 D CA 0.001 54.008 54.000 0.011 0.000 1.077 109 D CB 1.082 41.893 40.800 0.017 0.000 1.126 109 D HN 0.799 nan 8.370 nan 0.000 0.583 110 A N -0.866 121.944 122.820 -0.018 0.000 2.066 110 A HA 0.042 4.362 4.320 0.000 0.000 0.218 110 A C 2.250 179.769 177.584 -0.108 0.000 1.157 110 A CA 0.605 52.608 52.037 -0.057 0.000 0.670 110 A CB -0.797 18.168 19.000 -0.059 0.000 0.804 110 A HN 0.503 nan 8.150 nan 0.000 0.453 111 L N -1.686 119.483 121.223 -0.089 0.000 2.492 111 L HA 0.188 4.528 4.340 0.000 0.000 0.223 111 L C 1.776 178.612 176.870 -0.058 0.000 1.132 111 L CA 0.697 55.477 54.840 -0.099 0.000 0.850 111 L CB 0.017 42.039 42.059 -0.062 0.000 0.966 111 L HN 0.555 nan 8.230 nan 0.000 0.454 112 G N -0.794 107.984 108.800 -0.037 0.000 2.179 112 G HA2 -0.231 3.729 3.960 0.000 0.000 0.220 112 G HA3 -0.231 3.729 3.960 0.000 0.000 0.220 112 G C 0.080 174.971 174.900 -0.015 0.000 0.990 112 G CA -0.430 44.654 45.100 -0.026 0.000 0.646 112 G HN 0.308 nan 8.290 nan 0.000 0.517 113 N N 1.454 120.148 118.700 -0.009 0.000 2.492 113 N HA 0.484 5.224 4.740 0.000 0.000 0.262 113 N C 0.710 176.221 175.510 0.003 0.000 1.202 113 N CA 0.748 53.798 53.050 0.000 0.000 0.926 113 N CB 1.168 39.660 38.487 0.009 0.000 1.078 113 N HN 0.783 nan 8.380 nan 0.000 0.454 114 A N 1.948 124.769 122.820 0.003 0.000 2.498 114 A HA 0.238 4.558 4.320 0.000 0.000 0.239 114 A C 1.326 178.915 177.584 0.009 0.000 1.068 114 A CA -0.143 51.897 52.037 0.004 0.000 0.766 114 A CB -0.320 18.681 19.000 0.002 0.000 1.003 114 A HN 0.835 nan 8.150 nan 0.000 0.497 115 I N -1.419 119.157 120.570 0.010 0.000 4.442 115 I HA 0.226 4.396 4.170 0.000 0.000 0.331 115 I C 0.261 176.384 176.117 0.010 0.000 1.364 115 I CA 0.079 61.386 61.300 0.013 0.000 1.207 115 I CB 0.424 38.435 38.000 0.018 0.000 1.298 115 I HN 0.456 nan 8.210 nan 0.000 0.463 116 D N 1.719 122.123 120.400 0.006 0.000 2.355 116 D HA 0.108 4.748 4.640 0.000 0.000 0.218 116 D C 1.656 177.956 176.300 0.001 0.000 1.004 116 D CA 0.800 54.801 54.000 0.002 0.000 0.880 116 D CB -0.177 40.623 40.800 -0.001 0.000 0.911 116 D HN 0.478 nan 8.370 nan 0.000 0.528 117 G N 0.691 109.492 108.800 0.003 0.000 2.198 117 G HA2 -0.334 3.626 3.960 0.000 0.000 0.257 117 G HA3 -0.334 3.626 3.960 0.000 0.000 0.257 117 G C 0.455 175.355 174.900 0.000 0.000 1.042 117 G CA 0.219 45.320 45.100 0.002 0.000 0.791 117 G HN 0.443 nan 8.290 nan 0.000 0.502 118 K N 0.110 120.510 120.400 -0.000 0.000 2.618 118 K HA 0.480 4.800 4.320 0.000 0.000 0.207 118 K C 1.257 177.857 176.600 -0.001 0.000 1.058 118 K CA 0.179 56.465 56.287 -0.001 0.000 1.086 118 K CB 0.568 33.067 32.500 -0.003 0.000 0.827 118 K HN 1.481 nan 8.250 nan 0.000 0.481 119 G N 2.670 111.470 108.800 0.000 0.000 2.828 119 G HA2 -0.206 3.754 3.960 0.000 0.000 0.463 119 G HA3 -0.206 3.754 3.960 0.000 0.000 0.463 119 G C -2.723 172.176 174.900 -0.001 0.000 1.394 119 G CA -1.154 43.946 45.100 -0.000 0.000 0.862 119 G HN 0.074 nan 8.290 nan 0.000 0.540 120 P HA 0.513 nan 4.420 nan 0.000 0.274 120 P C 0.041 177.336 177.300 -0.009 0.000 1.256 120 P CA -0.472 62.625 63.100 -0.005 0.000 0.795 120 P CB 0.457 32.153 31.700 -0.005 0.000 1.038 121 I N 0.523 121.085 120.570 -0.014 0.000 2.331 121 I HA 0.197 4.367 4.170 0.000 0.000 0.292 121 I C 1.478 177.579 176.117 -0.028 0.000 0.998 121 I CA -0.132 61.155 61.300 -0.022 0.000 1.267 121 I CB 0.358 38.342 38.000 -0.028 0.000 1.386 121 I HN 0.484 nan 8.210 nan 0.000 0.476 122 G N 4.402 113.184 108.800 -0.031 0.000 3.709 122 G HA2 0.101 4.061 3.960 0.000 0.000 0.272 122 G HA3 0.101 4.061 3.960 0.000 0.000 0.272 122 G C 0.488 175.358 174.900 -0.050 0.000 1.259 122 G CA -0.176 44.904 45.100 -0.032 0.000 1.512 122 G HN 0.552 nan 8.290 nan 0.000 0.625 123 S N -0.115 115.548 115.700 -0.062 0.000 2.546 123 S HA 0.098 4.568 4.470 0.000 0.000 0.290 123 S C 1.284 175.839 174.600 -0.075 0.000 1.290 123 S CA 0.125 58.270 58.200 -0.091 0.000 1.069 123 S CB 0.932 64.073 63.200 -0.097 0.000 0.846 123 S HN 0.532 nan 8.310 nan 0.000 0.495 124 K N 1.442 121.789 120.400 -0.088 0.000 2.353 124 K HA 0.340 4.660 4.320 0.000 0.000 0.195 124 K C 0.273 176.839 176.600 -0.057 0.000 1.031 124 K CA 0.033 56.284 56.287 -0.061 0.000 1.079 124 K CB 0.635 33.104 32.500 -0.051 0.000 0.857 124 K HN 0.560 nan 8.250 nan 0.000 0.535 125 A N 1.230 124.000 122.820 -0.083 0.000 2.566 125 A HA 0.720 5.040 4.320 0.000 0.000 0.292 125 A C -1.167 176.378 177.584 -0.065 0.000 1.112 125 A CA -0.830 51.172 52.037 -0.059 0.000 0.707 125 A CB 1.435 20.414 19.000 -0.035 0.000 1.302 125 A HN 0.057 nan 8.150 nan 0.000 0.409 126 R N -0.216 120.263 120.500 -0.035 0.000 2.771 126 R HA 0.733 5.073 4.340 0.000 0.000 0.274 126 R C -0.980 175.313 176.300 -0.012 0.000 0.987 126 R CA -0.817 55.265 56.100 -0.030 0.000 0.908 126 R CB 2.715 33.002 30.300 -0.022 0.000 1.213 126 R HN 0.738 nan 8.270 nan 0.000 0.468 127 R N 1.425 121.919 120.500 -0.010 0.000 2.548 127 R HA 0.294 4.634 4.340 0.000 0.000 0.280 127 R C -0.854 175.446 176.300 0.001 0.000 1.061 127 R CA -0.775 55.328 56.100 0.005 0.000 0.915 127 R CB 1.726 32.037 30.300 0.019 0.000 1.210 127 R HN 0.564 nan 8.270 nan 0.000 0.442 128 R N 1.636 122.138 120.500 0.003 0.000 2.638 128 R HA -0.037 4.303 4.340 0.000 0.000 0.268 128 R C 1.536 177.833 176.300 -0.004 0.000 1.006 128 R CA 0.310 56.409 56.100 -0.003 0.000 1.088 128 R CB 0.604 30.903 30.300 -0.001 0.000 0.950 128 R HN 0.546 nan 8.270 nan 0.000 0.419 129 V N 0.598 120.501 119.914 -0.019 0.000 2.871 129 V HA 0.053 4.173 4.120 0.000 0.000 0.256 129 V C 1.268 177.341 176.094 -0.035 0.000 1.082 129 V CA 1.741 64.032 62.300 -0.014 0.000 1.105 129 V CB -0.079 31.717 31.823 -0.044 0.000 0.713 129 V HN 0.857 nan 8.190 nan 0.000 0.473 130 G N 0.378 109.135 108.800 -0.071 0.000 3.448 130 G HA2 0.390 4.350 3.960 0.000 0.000 0.261 130 G HA3 0.390 4.350 3.960 0.000 0.000 0.261 130 G C 0.324 175.196 174.900 -0.046 0.000 1.173 130 G CA -0.481 44.556 45.100 -0.104 0.000 0.835 130 G HN 0.478 nan 8.290 nan 0.000 0.534 131 L N 0.390 121.606 121.223 -0.012 0.000 2.483 131 L HA 0.180 4.520 4.340 0.000 0.000 0.275 131 L C 0.927 177.798 176.870 0.003 0.000 1.220 131 L CA -0.197 54.644 54.840 0.002 0.000 0.833 131 L CB 0.631 42.698 42.059 0.013 0.000 1.102 131 L HN 0.060 nan 8.230 nan 0.000 0.490 132 K N 1.951 122.357 120.400 0.009 0.000 2.237 132 K HA 0.463 4.783 4.320 0.000 0.000 0.270 132 K C -0.256 176.351 176.600 0.012 0.000 1.015 132 K CA -0.372 55.925 56.287 0.016 0.000 0.949 132 K CB 1.071 33.585 32.500 0.024 0.000 0.976 132 K HN 0.620 nan 8.250 nan 0.000 0.472 133 A N 4.691 127.518 122.820 0.011 0.000 2.386 133 A HA 0.323 4.643 4.320 0.000 0.000 0.248 133 A C -2.128 175.449 177.584 -0.012 0.000 1.082 133 A CA -1.280 50.759 52.037 0.003 0.000 0.789 133 A CB -0.523 18.480 19.000 0.005 0.000 1.025 133 A HN 0.697 nan 8.150 nan 0.000 0.490 134 P HA 0.156 nan 4.420 nan 0.000 0.265 134 P C 0.645 177.903 177.300 -0.071 0.000 1.187 134 P CA 0.553 63.610 63.100 -0.072 0.000 0.766 134 P CB 0.273 31.910 31.700 -0.106 0.000 0.820 135 G N 1.270 110.016 108.800 -0.091 0.000 2.508 135 G HA2 0.185 4.145 3.960 0.000 0.000 0.278 135 G HA3 0.185 4.145 3.960 0.000 0.000 0.278 135 G C 1.150 175.994 174.900 -0.092 0.000 1.389 135 G CA -0.708 44.349 45.100 -0.071 0.000 1.050 135 G HN 0.429 nan 8.290 nan 0.000 0.522 136 I N -0.084 120.446 120.570 -0.067 0.000 2.252 136 I HA -0.125 4.045 4.170 0.000 0.000 0.245 136 I C 2.447 178.513 176.117 -0.084 0.000 1.102 136 I CA 0.653 61.917 61.300 -0.059 0.000 1.385 136 I CB -0.131 37.852 38.000 -0.029 0.000 1.064 136 I HN 0.258 nan 8.210 nan 0.000 0.414 137 I N 1.162 121.668 120.570 -0.106 0.000 2.252 137 I HA -0.118 4.052 4.170 0.000 0.000 0.245 137 I C -0.206 175.784 176.117 -0.212 0.000 1.102 137 I CA 1.568 62.807 61.300 -0.103 0.000 1.385 137 I CB -2.610 35.364 38.000 -0.044 0.000 1.064 137 I HN 0.182 nan 8.210 nan 0.000 0.414 138 P HA -0.044 nan 4.420 nan 0.000 0.229 138 P C 0.587 177.685 177.300 -0.338 0.000 1.160 138 P CA 0.880 63.449 63.100 -0.885 0.000 0.777 138 P CB 0.079 30.967 31.700 -1.354 0.000 0.814 139 R N -0.356 120.032 120.500 -0.186 0.000 2.531 139 R HA 0.686 5.026 4.340 0.000 0.000 0.260 139 R C 0.002 176.284 176.300 -0.029 0.000 1.144 139 R CA -0.687 55.364 56.100 -0.082 0.000 1.171 139 R CB 0.495 30.757 30.300 -0.063 0.000 1.199 139 R HN -0.024 nan 8.270 nan 0.000 0.594 140 I N -1.183 119.385 120.570 -0.004 0.000 2.984 140 I HA 0.141 4.311 4.170 0.000 0.000 0.303 140 I C -1.037 175.086 176.117 0.010 0.000 1.381 140 I CA -0.413 60.894 61.300 0.011 0.000 0.988 140 I CB 2.331 40.347 38.000 0.028 0.000 1.307 140 I HN 0.775 nan 8.210 nan 0.000 0.460 141 S N 4.822 120.527 115.700 0.009 0.000 2.549 141 S HA 0.382 4.852 4.470 0.000 0.000 0.286 141 S C 0.259 174.862 174.600 0.005 0.000 1.314 141 S CA -0.410 57.793 58.200 0.006 0.000 1.062 141 S CB 0.637 63.840 63.200 0.005 0.000 0.865 141 S HN 1.135 nan 8.310 nan 0.000 0.498 142 V N 1.588 121.503 119.914 0.001 0.000 2.814 142 V HA 0.248 4.368 4.120 0.000 0.000 0.307 142 V C 1.029 177.115 176.094 -0.013 0.000 1.089 142 V CA 0.200 62.496 62.300 -0.007 0.000 1.212 142 V CB -0.110 31.706 31.823 -0.013 0.000 0.912 142 V HN 1.152 nan 8.190 nan 0.000 0.497 143 R N 0.937 121.422 120.500 -0.024 0.000 2.471 143 R HA 0.338 4.678 4.340 0.000 0.000 0.326 143 R C -0.251 176.019 176.300 -0.050 0.000 0.875 143 R CA -0.335 55.749 56.100 -0.027 0.000 1.102 143 R CB 0.143 30.436 30.300 -0.012 0.000 1.749 143 R HN 0.753 nan 8.270 nan 0.000 0.487 144 E N 3.251 123.402 120.200 -0.082 0.000 2.158 144 E HA 0.407 4.757 4.350 0.000 0.000 0.271 144 E C -2.664 173.847 176.600 -0.148 0.000 0.911 144 E CA -2.409 53.911 56.400 -0.133 0.000 0.767 144 E CB 2.055 31.624 29.700 -0.217 0.000 1.120 144 E HN -0.045 nan 8.360 nan 0.000 0.405 145 P HA -0.038 nan 4.420 nan 0.000 0.265 145 P C -0.533 176.648 177.300 -0.198 0.000 1.193 145 P CA 0.022 63.043 63.100 -0.131 0.000 0.765 145 P CB 0.437 32.078 31.700 -0.097 0.000 0.823 146 M N 3.414 122.921 119.600 -0.155 0.000 2.986 146 M HA 0.114 4.594 4.480 0.000 0.000 0.241 146 M C -0.476 175.759 176.300 -0.108 0.000 1.191 146 M CA -0.594 54.602 55.300 -0.173 0.000 1.143 146 M CB -0.309 32.216 32.600 -0.126 0.000 1.242 146 M HN 0.293 nan 8.290 nan 0.000 0.543 147 Q N 1.636 121.371 119.800 -0.109 0.000 2.264 147 Q HA 0.008 4.348 4.340 0.000 0.000 0.296 147 Q C 1.339 177.365 176.000 0.044 0.000 1.103 147 Q CA 0.530 56.339 55.803 0.010 0.000 0.967 147 Q CB 0.177 28.997 28.738 0.137 0.000 1.090 147 Q HN 0.684 nan 8.270 nan 0.000 0.379 148 T N -1.234 113.342 114.554 0.036 0.000 3.043 148 T HA 0.132 4.482 4.350 0.000 0.000 0.263 148 T C 1.298 176.033 174.700 0.058 0.000 1.094 148 T CA 0.535 62.661 62.100 0.042 0.000 1.127 148 T CB 0.152 69.036 68.868 0.027 0.000 0.905 148 T HN 0.793 nan 8.240 nan 0.000 0.490 149 G N 1.454 110.290 108.800 0.061 0.000 2.179 149 G HA2 -0.211 3.749 3.960 0.000 0.000 0.260 149 G HA3 -0.211 3.749 3.960 0.000 0.000 0.260 149 G C 0.039 174.956 174.900 0.029 0.000 0.977 149 G CA 0.106 45.234 45.100 0.048 0.000 0.641 149 G HN 0.653 nan 8.290 nan 0.000 0.533 150 I N 1.380 121.966 120.570 0.026 0.000 2.307 150 I HA 0.241 4.411 4.170 0.000 0.000 0.289 150 I C 1.624 177.753 176.117 0.020 0.000 1.021 150 I CA -0.790 60.521 61.300 0.018 0.000 1.224 150 I CB 1.233 39.242 38.000 0.014 0.000 1.376 150 I HN 0.022 nan 8.210 nan 0.000 0.470 151 K N 4.549 124.961 120.400 0.020 0.000 2.032 151 K HA -0.289 4.031 4.320 0.000 0.000 0.218 151 K C 2.111 178.725 176.600 0.023 0.000 1.054 151 K CA 2.005 58.306 56.287 0.023 0.000 0.941 151 K CB -0.353 32.162 32.500 0.025 0.000 0.720 151 K HN 0.788 nan 8.250 nan 0.000 0.449 152 A N 1.113 123.945 122.820 0.020 0.000 1.927 152 A HA -0.183 4.137 4.320 0.000 0.000 0.220 152 A C 2.456 180.054 177.584 0.024 0.000 1.185 152 A CA 2.107 54.157 52.037 0.021 0.000 0.639 152 A CB -0.783 18.229 19.000 0.021 0.000 0.820 152 A HN 0.141 nan 8.150 nan 0.000 0.451 153 V N 0.061 119.988 119.914 0.022 0.000 2.407 153 V HA -0.132 3.988 4.120 0.000 0.000 0.245 153 V C 1.814 177.920 176.094 0.020 0.000 1.041 153 V CA 1.931 64.244 62.300 0.022 0.000 1.040 153 V CB -0.685 31.150 31.823 0.021 0.000 0.671 153 V HN 0.460 nan 8.190 nan 0.000 0.455 154 D N 0.348 120.761 120.400 0.021 0.000 2.317 154 D HA -0.057 4.583 4.640 0.000 0.000 0.211 154 D C 2.315 178.628 176.300 0.021 0.000 0.966 154 D CA 1.417 55.429 54.000 0.020 0.000 0.876 154 D CB 0.099 40.915 40.800 0.026 0.000 0.927 154 D HN 0.606 nan 8.370 nan 0.000 0.519 155 S N -0.183 115.531 115.700 0.024 0.000 2.384 155 S HA 0.061 4.531 4.470 0.000 0.000 0.217 155 S C 2.057 176.671 174.600 0.022 0.000 1.041 155 S CA 0.087 58.302 58.200 0.025 0.000 0.948 155 S CB -0.397 62.819 63.200 0.027 0.000 0.872 155 S HN 0.136 nan 8.310 nan 0.000 0.512 156 L N 1.192 122.430 121.223 0.024 0.000 2.307 156 L HA 0.298 4.638 4.340 0.000 0.000 0.211 156 L C 0.001 176.886 176.870 0.025 0.000 1.099 156 L CA 0.267 55.122 54.840 0.025 0.000 0.816 156 L CB 0.175 42.252 42.059 0.029 0.000 0.952 156 L HN 0.203 nan 8.230 nan 0.000 0.455 157 V N 0.009 119.937 119.914 0.023 0.000 2.502 157 V HA 0.237 4.357 4.120 0.000 0.000 0.261 157 V C -2.531 173.572 176.094 0.016 0.000 0.996 157 V CA -1.220 61.093 62.300 0.022 0.000 1.095 157 V CB 0.298 32.139 31.823 0.029 0.000 1.325 157 V HN -0.023 nan 8.190 nan 0.000 0.574 158 P HA 0.236 nan 4.420 nan 0.000 0.266 158 P C -0.561 176.737 177.300 -0.003 0.000 1.215 158 P CA 0.223 63.325 63.100 0.004 0.000 0.763 158 P CB 1.142 32.844 31.700 0.003 0.000 0.806 159 I N 3.039 123.602 120.570 -0.011 0.000 2.385 159 I HA 0.461 4.631 4.170 0.000 0.000 0.294 159 I C 1.231 177.325 176.117 -0.038 0.000 0.988 159 I CA -0.792 60.497 61.300 -0.019 0.000 1.265 159 I CB 0.644 38.632 38.000 -0.019 0.000 1.388 159 I HN 0.336 nan 8.210 nan 0.000 0.480 160 G N 5.327 114.104 108.800 -0.038 0.000 2.471 160 G HA2 0.584 4.544 3.960 0.000 0.000 0.332 160 G HA3 0.584 4.544 3.960 0.000 0.000 0.332 160 G C -0.398 174.465 174.900 -0.062 0.000 1.176 160 G CA -0.890 44.177 45.100 -0.055 0.000 0.949 160 G HN 0.501 nan 8.290 nan 0.000 0.488 161 R N -0.150 120.296 120.500 -0.090 0.000 2.267 161 R HA 0.450 4.790 4.340 0.000 0.000 0.319 161 R C 1.041 177.330 176.300 -0.019 0.000 1.067 161 R CA 1.005 57.055 56.100 -0.082 0.000 0.936 161 R CB 0.977 31.166 30.300 -0.185 0.000 1.006 161 R HN 1.058 nan 8.270 nan 0.000 0.452 162 G N 1.824 110.628 108.800 0.007 0.000 2.179 162 G HA2 -0.278 3.682 3.960 0.000 0.000 0.220 162 G HA3 -0.278 3.682 3.960 0.000 0.000 0.220 162 G C 0.084 174.991 174.900 0.013 0.000 0.990 162 G CA -0.163 44.952 45.100 0.025 0.000 0.646 162 G HN 0.570 nan 8.290 nan 0.000 0.517 163 Q N 0.000 119.802 119.800 0.002 0.000 2.260 163 Q HA 0.705 5.045 4.340 0.000 0.000 0.238 163 Q C -0.079 175.926 176.000 0.008 0.000 0.948 163 Q CA -0.591 55.214 55.803 0.003 0.000 0.895 163 Q CB 0.501 29.236 28.738 -0.005 0.000 1.218 163 Q HN 0.283 nan 8.270 nan 0.000 0.470 164 R N 2.022 122.529 120.500 0.012 0.000 2.343 164 R HA 0.323 4.663 4.340 0.000 0.000 0.320 164 R C -1.452 174.856 176.300 0.013 0.000 0.956 164 R CA -0.498 55.612 56.100 0.017 0.000 0.836 164 R CB 1.589 31.900 30.300 0.018 0.000 1.151 164 R HN 0.470 nan 8.270 nan 0.000 0.450 165 E N 2.996 123.203 120.200 0.012 0.000 2.255 165 E HA 0.249 4.599 4.350 0.000 0.000 0.256 165 E C -1.545 175.064 176.600 0.015 0.000 0.887 165 E CA -0.881 55.527 56.400 0.013 0.000 0.782 165 E CB 0.922 30.628 29.700 0.010 0.000 1.214 165 E HN 0.356 nan 8.360 nan 0.000 0.417 166 L N 5.098 126.331 121.223 0.017 0.000 2.397 166 L HA 0.392 4.732 4.340 0.000 0.000 0.271 166 L C -0.907 175.980 176.870 0.029 0.000 1.148 166 L CA -0.089 54.760 54.840 0.015 0.000 0.825 166 L CB 0.517 42.582 42.059 0.010 0.000 1.117 166 L HN 0.543 nan 8.230 nan 0.000 0.456 167 I N 7.204 127.788 120.570 0.023 0.000 2.330 167 I HA 0.363 4.533 4.170 0.000 0.000 0.286 167 I C -0.146 175.992 176.117 0.036 0.000 1.025 167 I CA -0.147 61.170 61.300 0.028 0.000 1.197 167 I CB 0.575 38.585 38.000 0.016 0.000 1.358 167 I HN 0.604 nan 8.210 nan 0.000 0.467 168 I N 4.978 125.594 120.570 0.077 0.000 2.545 168 I HA 0.884 5.054 4.170 0.000 0.000 0.292 168 I C -0.198 176.002 176.117 0.137 0.000 1.040 168 I CA 0.120 61.495 61.300 0.124 0.000 1.068 168 I CB 2.092 40.198 38.000 0.177 0.000 1.251 168 I HN 0.658 nan 8.210 nan 0.000 0.424 169 G N 4.901 113.751 108.800 0.084 0.000 2.316 169 G HA2 0.175 4.135 3.960 0.000 0.000 0.296 169 G HA3 0.175 4.135 3.960 0.000 0.000 0.296 169 G C -1.978 172.900 174.900 -0.037 0.000 1.399 169 G CA -0.785 44.278 45.100 -0.062 0.000 0.833 169 G HN 0.501 nan 8.290 nan 0.000 0.565 170 D N 0.099 120.442 120.400 -0.094 0.000 2.384 170 D HA 0.392 5.032 4.640 0.000 0.000 0.244 170 D C 1.293 177.533 176.300 -0.100 0.000 1.251 170 D CA -0.172 53.789 54.000 -0.065 0.000 0.961 170 D CB 0.561 41.316 40.800 -0.075 0.000 1.116 170 D HN 0.693 nan 8.370 nan 0.000 0.484 171 R N 0.358 120.821 120.500 -0.061 0.000 2.734 171 R HA 0.003 4.343 4.340 0.000 0.000 0.266 171 R C -0.209 176.014 176.300 -0.129 0.000 1.044 171 R CA -0.230 55.831 56.100 -0.064 0.000 1.128 171 R CB 0.126 30.417 30.300 -0.016 0.000 1.010 171 R HN 0.184 nan 8.270 nan 0.000 0.461 172 Q N -0.126 119.584 119.800 -0.149 0.000 2.453 172 Q HA -0.155 4.185 4.340 0.000 0.000 0.294 172 Q C 0.028 175.632 176.000 -0.661 0.000 1.295 172 Q CA 1.749 57.396 55.803 -0.260 0.000 0.853 172 Q CB -1.950 26.725 28.738 -0.105 0.000 1.193 172 Q HN 0.991 nan 8.270 nan 0.000 0.461 173 T N -5.055 109.123 114.554 -0.626 0.000 3.085 173 T HA 0.456 4.806 4.350 0.000 0.000 0.264 173 T C 1.063 175.423 174.700 -0.568 0.000 1.019 173 T CA 0.508 62.103 62.100 -0.842 0.000 0.910 173 T CB 0.991 69.586 68.868 -0.455 0.000 1.059 173 T HN 0.862 nan 8.240 nan 0.000 0.542 174 G N 1.961 110.529 108.800 -0.387 0.000 2.171 174 G HA2 -0.279 3.681 3.960 0.000 0.000 0.238 174 G HA3 -0.279 3.681 3.960 0.000 0.000 0.238 174 G C 0.645 175.526 174.900 -0.032 0.000 1.039 174 G CA 0.419 45.485 45.100 -0.056 0.000 0.759 174 G HN 0.538 nan 8.290 nan 0.000 0.501 175 K N -0.682 119.680 120.400 -0.063 0.000 1.984 175 K HA -0.045 4.275 4.320 0.000 0.000 0.209 175 K C 2.722 179.333 176.600 0.018 0.000 1.046 175 K CA 1.903 58.174 56.287 -0.026 0.000 0.934 175 K CB -0.353 32.128 32.500 -0.032 0.000 0.717 175 K HN 0.315 nan 8.250 nan 0.000 0.438 176 T N 0.883 115.460 114.554 0.037 0.000 2.699 176 T HA -0.168 4.182 4.350 0.000 0.000 0.268 176 T C 2.081 176.822 174.700 0.067 0.000 1.036 176 T CA 1.619 63.772 62.100 0.088 0.000 1.147 176 T CB -0.319 68.613 68.868 0.107 0.000 0.862 176 T HN 0.140 nan 8.240 nan 0.000 0.446 177 S N 0.849 116.571 115.700 0.036 0.000 2.380 177 S HA -0.101 4.369 4.470 0.000 0.000 0.229 177 S C 1.994 176.598 174.600 0.007 0.000 1.043 177 S CA 1.117 59.320 58.200 0.006 0.000 1.038 177 S CB -0.502 62.687 63.200 -0.018 0.000 0.872 177 S HN 0.426 nan 8.310 nan 0.000 0.456 178 I N 1.257 121.838 120.570 0.019 0.000 2.163 178 I HA -0.262 3.908 4.170 0.000 0.000 0.243 178 I C 2.598 178.738 176.117 0.037 0.000 1.085 178 I CA 1.200 62.513 61.300 0.021 0.000 1.347 178 I CB -0.443 37.570 38.000 0.021 0.000 1.044 178 I HN 0.284 nan 8.210 nan 0.000 0.408 179 A N 1.003 123.858 122.820 0.058 0.000 1.877 179 A HA -0.178 4.142 4.320 0.000 0.000 0.216 179 A C 2.190 179.824 177.584 0.083 0.000 1.186 179 A CA 1.449 53.537 52.037 0.085 0.000 0.620 179 A CB -0.616 18.471 19.000 0.145 0.000 0.822 179 A HN 0.323 nan 8.150 nan 0.000 0.443 180 I N 0.470 121.080 120.570 0.067 0.000 2.286 180 I HA -0.192 3.978 4.170 0.000 0.000 0.248 180 I C 1.722 177.884 176.117 0.074 0.000 1.115 180 I CA 1.641 62.971 61.300 0.050 0.000 1.392 180 I CB -1.726 36.308 38.000 0.058 0.000 1.065 180 I HN 0.253 nan 8.210 nan 0.000 0.418 181 D N 0.581 121.015 120.400 0.057 0.000 2.144 181 D HA -0.121 4.519 4.640 0.000 0.000 0.200 181 D C 2.222 178.565 176.300 0.071 0.000 0.978 181 D CA 1.355 55.391 54.000 0.060 0.000 0.833 181 D CB -0.073 40.737 40.800 0.017 0.000 0.961 181 D HN 0.199 nan 8.370 nan 0.000 0.470 182 T N 0.419 115.011 114.554 0.064 0.000 2.746 182 T HA -0.098 4.252 4.350 0.000 0.000 0.267 182 T C 2.078 176.834 174.700 0.093 0.000 1.039 182 T CA 0.637 62.778 62.100 0.068 0.000 1.142 182 T CB -0.204 68.693 68.868 0.048 0.000 0.866 182 T HN 0.154 nan 8.240 nan 0.000 0.444 183 I N 0.613 121.244 120.570 0.102 0.000 2.142 183 I HA -0.145 4.025 4.170 0.000 0.000 0.240 183 I C 2.239 178.485 176.117 0.216 0.000 1.078 183 I CA 1.470 62.861 61.300 0.152 0.000 1.343 183 I CB -0.412 37.653 38.000 0.108 0.000 1.046 183 I HN 0.214 nan 8.210 nan 0.000 0.405 184 I N 0.931 121.590 120.570 0.148 0.000 2.423 184 I HA -0.298 3.872 4.170 0.000 0.000 0.254 184 I C 2.111 178.317 176.117 0.149 0.000 1.151 184 I CA 1.333 62.724 61.300 0.151 0.000 1.421 184 I CB -0.556 37.509 38.000 0.109 0.000 1.079 184 I HN 0.339 nan 8.210 nan 0.000 0.431 185 N N 0.463 119.237 118.700 0.124 0.000 2.396 185 N HA -0.178 4.562 4.740 0.000 0.000 0.180 185 N C 1.784 177.355 175.510 0.101 0.000 1.028 185 N CA 0.866 53.971 53.050 0.092 0.000 0.893 185 N CB 0.149 38.703 38.487 0.111 0.000 0.967 185 N HN 0.165 nan 8.380 nan 0.000 0.440 186 Q N 0.382 120.260 119.800 0.129 0.000 2.369 186 Q HA -0.066 4.274 4.340 0.000 0.000 0.206 186 Q C 1.610 177.497 176.000 -0.187 0.000 0.963 186 Q CA 0.571 56.413 55.803 0.065 0.000 0.894 186 Q CB -0.218 28.407 28.738 -0.188 0.000 0.965 186 Q HN 0.499 nan 8.270 nan 0.000 0.475 187 K N 1.533 121.889 120.400 -0.072 0.000 2.089 187 K HA -0.216 4.104 4.320 0.000 0.000 0.210 187 K C 2.018 178.533 176.600 -0.141 0.000 1.048 187 K CA 1.618 57.895 56.287 -0.017 0.000 0.926 187 K CB 0.004 32.587 32.500 0.139 0.000 0.714 187 K HN 0.192 nan 8.250 nan 0.000 0.448 188 R N -0.160 120.182 120.500 -0.264 0.000 2.096 188 R HA -0.152 4.188 4.340 0.000 0.000 0.235 188 R C 1.819 177.861 176.300 -0.430 0.000 1.127 188 R CA 1.657 57.516 56.100 -0.401 0.000 0.968 188 R CB -0.700 29.246 30.300 -0.590 0.000 0.861 188 R HN 0.191 nan 8.270 nan 0.000 0.440 189 F N 1.973 121.828 119.950 -0.159 0.000 2.094 189 F HA 0.066 4.593 4.527 0.000 0.000 0.291 189 F C 2.207 177.886 175.800 -0.202 0.000 1.109 189 F CA 0.816 58.713 58.000 -0.172 0.000 1.221 189 F CB -0.868 38.013 39.000 -0.200 0.000 1.014 189 F HN -0.032 nan 8.300 nan 0.000 0.473 190 N N 0.395 119.018 118.700 -0.128 0.000 2.192 190 N HA -0.165 4.575 4.740 0.000 0.000 0.188 190 N C 0.920 176.373 175.510 -0.096 0.000 1.013 190 N CA 1.601 54.508 53.050 -0.238 0.000 0.863 190 N CB -0.590 37.553 38.487 -0.574 0.000 0.990 190 N HN 0.288 nan 8.380 nan 0.000 0.430 191 D N -0.751 119.607 120.400 -0.070 0.000 2.339 191 D HA 0.135 4.775 4.640 0.000 0.000 0.217 191 D C 1.145 177.429 176.300 -0.026 0.000 1.050 191 D CA 0.140 54.126 54.000 -0.023 0.000 0.856 191 D CB -0.023 40.768 40.800 -0.015 0.000 0.922 191 D HN 0.155 nan 8.370 nan 0.000 0.518 192 G N -0.622 108.157 108.800 -0.034 0.000 2.535 192 G HA2 0.244 4.204 3.960 0.000 0.000 0.282 192 G HA3 0.244 4.204 3.960 0.000 0.000 0.282 192 G C 0.978 175.880 174.900 0.003 0.000 1.350 192 G CA -0.158 44.929 45.100 -0.021 0.000 1.039 192 G HN 0.023 nan 8.290 nan 0.000 0.509 193 T N -0.432 114.127 114.554 0.008 0.000 2.901 193 T HA 0.038 4.388 4.350 0.000 0.000 0.252 193 T C 0.828 175.545 174.700 0.027 0.000 1.035 193 T CA 0.481 62.590 62.100 0.016 0.000 1.142 193 T CB -0.162 68.712 68.868 0.011 0.000 0.869 193 T HN 0.423 nan 8.240 nan 0.000 0.442 194 D N 2.134 122.552 120.400 0.032 0.000 2.451 194 D HA -0.014 4.626 4.640 0.000 0.000 0.254 194 D C 1.035 177.362 176.300 0.046 0.000 1.204 194 D CA 0.142 54.166 54.000 0.039 0.000 0.896 194 D CB 0.676 41.503 40.800 0.046 0.000 1.136 194 D HN 0.140 nan 8.370 nan 0.000 0.499 195 E N 3.717 123.947 120.200 0.050 0.000 2.046 195 E HA -0.141 4.209 4.350 0.000 0.000 0.190 195 E C 1.706 178.353 176.600 0.078 0.000 0.982 195 E CA 0.831 57.271 56.400 0.066 0.000 0.800 195 E CB 0.006 29.750 29.700 0.073 0.000 0.756 195 E HN 0.570 nan 8.360 nan 0.000 0.449 196 K N 0.980 121.425 120.400 0.075 0.000 2.089 196 K HA -0.182 4.138 4.320 0.000 0.000 0.210 196 K C 2.002 178.627 176.600 0.040 0.000 1.048 196 K CA 1.447 57.794 56.287 0.099 0.000 0.926 196 K CB -0.182 32.355 32.500 0.061 0.000 0.714 196 K HN 0.018 nan 8.250 nan 0.000 0.448 197 K N 1.129 121.516 120.400 -0.022 0.000 2.486 197 K HA 0.005 4.325 4.320 0.000 0.000 0.194 197 K C 0.250 176.728 176.600 -0.204 0.000 1.033 197 K CA 0.421 56.620 56.287 -0.145 0.000 1.004 197 K CB 0.136 32.632 32.500 -0.008 0.000 0.798 197 K HN 0.139 nan 8.250 nan 0.000 0.495 198 K N 0.985 121.334 120.400 -0.086 0.000 2.180 198 K HA 0.223 4.543 4.320 0.000 0.000 0.251 198 K C -0.613 175.832 176.600 -0.259 0.000 1.014 198 K CA -0.284 55.891 56.287 -0.186 0.000 0.913 198 K CB 0.549 32.940 32.500 -0.181 0.000 1.008 198 K HN -0.156 nan 8.250 nan 0.000 0.490 199 L N 2.485 123.427 121.223 -0.468 0.000 2.661 199 L HA 0.243 4.583 4.340 0.000 0.000 0.263 199 L C -1.775 174.760 176.870 -0.558 0.000 0.956 199 L CA -0.273 54.337 54.840 -0.384 0.000 0.918 199 L CB 0.838 42.718 42.059 -0.299 0.000 1.280 199 L HN 0.461 nan 8.230 nan 0.000 0.416 200 Y N 2.900 123.033 120.300 -0.279 0.000 2.309 200 Y HA 0.503 5.053 4.550 0.000 0.000 0.327 200 Y C 0.556 176.327 175.900 -0.215 0.000 1.172 200 Y CA -0.048 57.855 58.100 -0.328 0.000 1.280 200 Y CB 0.950 38.862 38.460 -0.913 0.000 1.234 200 Y HN 0.506 nan 8.280 nan 0.000 0.512 201 C N 4.174 123.534 119.300 0.100 0.000 2.435 201 C HA 0.745 5.205 4.460 0.000 0.000 0.333 201 C C -0.259 174.776 174.990 0.076 0.000 1.202 201 C CA -1.101 57.969 59.018 0.087 0.000 1.830 201 C CB 0.250 28.095 27.740 0.175 0.000 2.326 201 C HN 0.622 nan 8.230 nan 0.000 0.507 202 I N 2.013 122.608 120.570 0.042 0.000 2.478 202 I HA 0.278 4.448 4.170 0.000 0.000 0.287 202 I C -1.017 175.116 176.117 0.027 0.000 1.042 202 I CA -0.331 60.994 61.300 0.041 0.000 1.067 202 I CB 1.148 39.158 38.000 0.017 0.000 1.233 202 I HN 0.635 nan 8.210 nan 0.000 0.431 203 Y N 7.048 127.314 120.300 -0.056 0.000 2.402 203 Y HA 0.639 5.189 4.550 0.000 0.000 0.332 203 Y C -0.821 175.047 175.900 -0.054 0.000 0.960 203 Y CA -0.806 57.255 58.100 -0.065 0.000 1.228 203 Y CB 1.073 39.512 38.460 -0.036 0.000 1.120 203 Y HN 0.289 nan 8.280 nan 0.000 0.491 204 V N 6.215 125.854 119.914 -0.458 0.000 2.364 204 V HA 0.611 4.731 4.120 0.000 0.000 0.272 204 V C 0.132 175.968 176.094 -0.430 0.000 1.036 204 V CA -0.559 61.564 62.300 -0.294 0.000 0.880 204 V CB 0.698 32.432 31.823 -0.148 0.000 0.991 204 V HN 0.898 nan 8.190 nan 0.000 0.460 205 A N 7.082 129.782 122.820 -0.200 0.000 2.249 205 A HA 0.832 5.152 4.320 0.000 0.000 0.314 205 A C -0.525 177.047 177.584 -0.020 0.000 1.290 205 A CA -0.379 51.604 52.037 -0.090 0.000 0.893 205 A CB 0.092 19.184 19.000 0.153 0.000 1.165 205 A HN 0.802 nan 8.150 nan 0.000 0.530 206 I N 2.329 122.886 120.570 -0.022 0.000 2.382 206 I HA 0.523 4.693 4.170 0.000 0.000 0.286 206 I C 1.225 177.367 176.117 0.042 0.000 1.002 206 I CA 0.111 61.422 61.300 0.017 0.000 1.135 206 I CB 1.685 39.690 38.000 0.009 0.000 1.288 206 I HN 0.940 nan 8.210 nan 0.000 0.448 207 G N 3.820 112.655 108.800 0.058 0.000 2.196 207 G HA2 -0.265 3.695 3.960 0.000 0.000 0.268 207 G HA3 -0.265 3.695 3.960 0.000 0.000 0.268 207 G C 0.391 175.327 174.900 0.060 0.000 0.975 207 G CA 0.156 45.294 45.100 0.064 0.000 0.648 207 G HN 0.639 nan 8.290 nan 0.000 0.538 208 Q N -0.079 119.758 119.800 0.062 0.000 2.697 208 Q HA 0.486 4.826 4.340 0.000 0.000 0.196 208 Q C 0.382 176.419 176.000 0.062 0.000 1.121 208 Q CA 0.017 55.861 55.803 0.068 0.000 1.151 208 Q CB 0.567 29.360 28.738 0.092 0.000 1.250 208 Q HN 0.383 nan 8.270 nan 0.000 0.658 209 K N 0.556 120.991 120.400 0.058 0.000 2.144 209 K HA 0.165 4.485 4.320 0.000 0.000 0.270 209 K C 1.195 177.825 176.600 0.050 0.000 1.005 209 K CA -0.573 55.743 56.287 0.049 0.000 0.932 209 K CB 0.866 33.392 32.500 0.042 0.000 1.021 209 K HN 0.379 nan 8.250 nan 0.000 0.462 210 R N 0.864 121.389 120.500 0.043 0.000 2.112 210 R HA -0.188 4.152 4.340 0.000 0.000 0.242 210 R C 1.977 178.296 176.300 0.032 0.000 1.137 210 R CA 2.139 58.262 56.100 0.038 0.000 0.944 210 R CB -0.736 29.582 30.300 0.031 0.000 0.857 210 R HN 0.692 nan 8.270 nan 0.000 0.435 211 S N 0.538 116.254 115.700 0.027 0.000 2.368 211 S HA -0.192 4.278 4.470 0.000 0.000 0.226 211 S C 2.094 176.706 174.600 0.020 0.000 1.044 211 S CA 2.309 60.522 58.200 0.021 0.000 1.062 211 S CB -0.823 62.390 63.200 0.020 0.000 0.931 211 S HN 0.411 nan 8.310 nan 0.000 0.440 212 T N 2.387 116.959 114.554 0.030 0.000 2.720 212 T HA -0.078 4.272 4.350 0.000 0.000 0.268 212 T C 1.979 176.694 174.700 0.024 0.000 1.037 212 T CA 1.460 63.579 62.100 0.032 0.000 1.144 212 T CB -0.635 68.263 68.868 0.051 0.000 0.864 212 T HN 0.274 nan 8.240 nan 0.000 0.444 213 V N 1.847 121.786 119.914 0.042 0.000 2.307 213 V HA -0.133 3.987 4.120 0.000 0.000 0.245 213 V C 2.968 179.061 176.094 -0.002 0.000 1.045 213 V CA 1.555 63.878 62.300 0.039 0.000 1.024 213 V CB -1.381 30.489 31.823 0.078 0.000 0.651 213 V HN 0.532 nan 8.190 nan 0.000 0.449 214 A N -0.497 122.324 122.820 0.002 0.000 1.908 214 A HA -0.319 4.001 4.320 0.000 0.000 0.218 214 A C 2.195 179.762 177.584 -0.028 0.000 1.181 214 A CA 2.196 54.226 52.037 -0.011 0.000 0.627 214 A CB -0.526 18.472 19.000 -0.002 0.000 0.818 214 A HN 0.631 nan 8.150 nan 0.000 0.445 215 Q N -0.847 118.938 119.800 -0.026 0.000 2.172 215 Q HA -0.022 4.318 4.340 0.000 0.000 0.200 215 Q C 2.087 178.047 176.000 -0.066 0.000 0.964 215 Q CA 1.058 56.838 55.803 -0.038 0.000 0.855 215 Q CB -0.213 28.514 28.738 -0.019 0.000 0.918 215 Q HN 0.668 nan 8.270 nan 0.000 0.444 216 L N 0.897 122.073 121.223 -0.078 0.000 2.093 216 L HA -0.072 4.268 4.340 0.000 0.000 0.208 216 L C 2.119 178.899 176.870 -0.150 0.000 1.085 216 L CA 1.587 56.343 54.840 -0.139 0.000 0.755 216 L CB -0.575 41.353 42.059 -0.218 0.000 0.904 216 L HN 0.266 nan 8.230 nan 0.000 0.435 217 V N -2.374 117.473 119.914 -0.111 0.000 2.951 217 V HA -0.069 4.051 4.120 0.000 0.000 0.255 217 V C 2.588 178.624 176.094 -0.097 0.000 1.088 217 V CA 1.074 63.312 62.300 -0.103 0.000 1.109 217 V CB -0.637 31.145 31.823 -0.067 0.000 0.724 217 V HN 0.241 nan 8.190 nan 0.000 0.471 218 K N 1.680 122.028 120.400 -0.088 0.000 2.062 218 K HA -0.120 4.200 4.320 0.000 0.000 0.205 218 K C 2.343 178.874 176.600 -0.114 0.000 1.051 218 K CA 2.045 58.280 56.287 -0.086 0.000 0.941 218 K CB -0.532 31.926 32.500 -0.071 0.000 0.719 218 K HN 0.538 nan 8.250 nan 0.000 0.440 219 R N 0.674 121.090 120.500 -0.139 0.000 2.092 219 R HA 0.064 4.404 4.340 0.000 0.000 0.231 219 R C 2.246 178.444 176.300 -0.171 0.000 1.119 219 R CA 1.242 57.225 56.100 -0.194 0.000 0.970 219 R CB -0.549 29.610 30.300 -0.235 0.000 0.864 219 R HN 0.222 nan 8.270 nan 0.000 0.440 220 L N -0.439 120.695 121.223 -0.149 0.000 2.109 220 L HA -0.067 4.273 4.340 0.000 0.000 0.207 220 L C 2.067 178.848 176.870 -0.147 0.000 1.086 220 L CA 1.580 56.330 54.840 -0.149 0.000 0.760 220 L CB -0.587 41.372 42.059 -0.167 0.000 0.910 220 L HN 0.261 nan 8.230 nan 0.000 0.437 221 T N -0.655 113.823 114.554 -0.126 0.000 2.674 221 T HA -0.180 4.170 4.350 0.000 0.000 0.265 221 T C 1.412 176.055 174.700 -0.094 0.000 1.039 221 T CA 1.587 63.624 62.100 -0.105 0.000 1.150 221 T CB -0.233 68.584 68.868 -0.084 0.000 0.864 221 T HN 0.310 nan 8.240 nan 0.000 0.427 222 D N 1.433 121.772 120.400 -0.100 0.000 2.218 222 D HA 0.001 4.641 4.640 0.000 0.000 0.204 222 D C 1.826 178.074 176.300 -0.087 0.000 0.976 222 D CA 0.860 54.804 54.000 -0.093 0.000 0.853 222 D CB -0.239 40.494 40.800 -0.112 0.000 0.939 222 D HN 0.440 nan 8.370 nan 0.000 0.481 223 A N 0.302 123.064 122.820 -0.098 0.000 2.307 223 A HA 0.042 4.362 4.320 0.000 0.000 0.218 223 A C 0.526 178.078 177.584 -0.054 0.000 1.228 223 A CA 0.232 52.227 52.037 -0.069 0.000 0.857 223 A CB 0.072 19.034 19.000 -0.064 0.000 0.897 223 A HN -0.005 nan 8.150 nan 0.000 0.495 224 D N -2.384 117.971 120.400 -0.075 0.000 2.751 224 D HA -0.223 4.417 4.640 0.000 0.000 0.233 224 D C 0.730 176.952 176.300 -0.130 0.000 1.149 224 D CA 1.079 55.036 54.000 -0.072 0.000 0.682 224 D CB -1.225 39.563 40.800 -0.020 0.000 1.068 224 D HN 0.542 nan 8.370 nan 0.000 0.429 225 A N -0.829 121.840 122.820 -0.251 0.000 2.343 225 A HA 0.181 4.501 4.320 0.000 0.000 0.223 225 A C 1.957 179.044 177.584 -0.828 0.000 1.214 225 A CA 0.163 51.815 52.037 -0.641 0.000 0.900 225 A CB 0.068 18.885 19.000 -0.306 0.000 0.942 225 A HN 0.265 nan 8.150 nan 0.000 0.507 226 M N 1.081 120.434 119.600 -0.412 0.000 2.296 226 M HA -0.103 4.377 4.480 0.000 0.000 0.265 226 M C 2.021 178.172 176.300 -0.248 0.000 1.064 226 M CA 1.587 56.716 55.300 -0.285 0.000 1.109 226 M CB -0.796 31.711 32.600 -0.155 0.000 1.396 226 M HN 0.688 nan 8.290 nan 0.000 0.430 227 K N 0.156 120.413 120.400 -0.238 0.000 2.152 227 K HA -0.183 4.137 4.320 0.000 0.000 0.206 227 K C 0.919 177.547 176.600 0.046 0.000 1.048 227 K CA 1.734 57.984 56.287 -0.062 0.000 0.933 227 K CB -0.771 31.739 32.500 0.017 0.000 0.721 227 K HN 0.482 nan 8.250 nan 0.000 0.447 228 Y N 0.074 120.414 120.300 0.067 0.000 2.681 228 Y HA 0.477 5.027 4.550 0.000 0.000 0.267 228 Y C -0.702 175.252 175.900 0.089 0.000 1.166 228 Y CA -1.102 57.066 58.100 0.114 0.000 1.209 228 Y CB -0.050 38.416 38.460 0.009 0.000 1.161 228 Y HN -0.213 nan 8.280 nan 0.000 0.534 229 T N 2.714 117.272 114.554 0.006 0.000 2.861 229 T HA 0.606 4.956 4.350 0.000 0.000 0.287 229 T C -0.526 174.200 174.700 0.045 0.000 1.003 229 T CA -0.454 61.657 62.100 0.018 0.000 0.977 229 T CB 1.829 70.629 68.868 -0.114 0.000 0.996 229 T HN 0.173 nan 8.240 nan 0.000 0.448 230 I N 2.192 122.811 120.570 0.081 0.000 2.412 230 I HA 0.587 4.757 4.170 0.000 0.000 0.296 230 I C -0.620 175.545 176.117 0.079 0.000 0.987 230 I CA -1.177 60.170 61.300 0.079 0.000 1.180 230 I CB 1.891 39.954 38.000 0.105 0.000 1.340 230 I HN 0.223 nan 8.210 nan 0.000 0.455 231 V N 6.751 126.707 119.914 0.070 0.000 2.376 231 V HA 0.310 4.430 4.120 0.000 0.000 0.287 231 V C -0.143 175.995 176.094 0.073 0.000 1.015 231 V CA -0.615 61.747 62.300 0.103 0.000 0.834 231 V CB 2.013 33.898 31.823 0.104 0.000 1.001 231 V HN 0.409 nan 8.190 nan 0.000 0.428 232 V N 4.127 124.076 119.914 0.058 0.000 2.394 232 V HA 0.567 4.687 4.120 0.000 0.000 0.282 232 V C 0.272 176.388 176.094 0.037 0.000 1.031 232 V CA -0.124 62.194 62.300 0.031 0.000 0.881 232 V CB 1.783 33.611 31.823 0.008 0.000 0.982 232 V HN 0.821 nan 8.190 nan 0.000 0.451 233 S N 3.902 119.626 115.700 0.040 0.000 2.659 233 S HA 0.775 5.245 4.470 0.000 0.000 0.312 233 S C -0.410 174.215 174.600 0.043 0.000 1.114 233 S CA -0.132 58.098 58.200 0.051 0.000 1.063 233 S CB 1.162 64.400 63.200 0.063 0.000 0.996 233 S HN 1.111 nan 8.310 nan 0.000 0.478 234 A N 4.298 127.145 122.820 0.045 0.000 2.646 234 A HA 0.622 4.942 4.320 0.000 0.000 0.312 234 A C 0.308 177.929 177.584 0.061 0.000 1.245 234 A CA -0.641 51.429 52.037 0.055 0.000 0.755 234 A CB 0.163 19.201 19.000 0.062 0.000 1.132 234 A HN 0.843 nan 8.150 nan 0.000 0.458 235 T N -1.216 113.374 114.554 0.060 0.000 2.849 235 T HA 0.573 4.923 4.350 0.000 0.000 0.276 235 T C 1.603 176.339 174.700 0.059 0.000 0.971 235 T CA 0.030 62.166 62.100 0.059 0.000 0.949 235 T CB 1.109 70.011 68.868 0.056 0.000 1.093 235 T HN 1.181 nan 8.240 nan 0.000 0.545 236 A N 0.211 123.064 122.820 0.055 0.000 2.093 236 A HA -0.109 4.211 4.320 0.000 0.000 0.222 236 A C 2.463 180.075 177.584 0.048 0.000 1.162 236 A CA 2.219 54.287 52.037 0.052 0.000 0.655 236 A CB -1.300 17.728 19.000 0.046 0.000 0.805 236 A HN 0.769 nan 8.150 nan 0.000 0.461 237 S N -0.702 115.025 115.700 0.045 0.000 2.503 237 S HA 0.044 4.514 4.470 0.000 0.000 0.217 237 S C 0.230 174.858 174.600 0.046 0.000 0.999 237 S CA -0.359 57.865 58.200 0.040 0.000 0.914 237 S CB -0.302 62.919 63.200 0.035 0.000 0.782 237 S HN 0.551 nan 8.310 nan 0.000 0.520 238 D N 2.384 122.817 120.400 0.056 0.000 2.372 238 D HA 0.330 4.970 4.640 0.000 0.000 0.243 238 D C 0.302 176.648 176.300 0.077 0.000 1.121 238 D CA 0.187 54.227 54.000 0.067 0.000 0.898 238 D CB 1.184 42.029 40.800 0.076 0.000 1.202 238 D HN 0.363 nan 8.370 nan 0.000 0.428 239 A N 1.536 124.405 122.820 0.082 0.000 2.520 239 A HA 0.276 4.596 4.320 0.000 0.000 0.235 239 A C 1.438 179.093 177.584 0.118 0.000 1.065 239 A CA 0.465 52.552 52.037 0.084 0.000 0.764 239 A CB 0.241 19.290 19.000 0.081 0.000 1.002 239 A HN 0.648 nan 8.150 nan 0.000 0.502 240 A N 2.792 125.674 122.820 0.103 0.000 1.917 240 A HA -0.076 4.244 4.320 0.000 0.000 0.219 240 A C -0.138 177.581 177.584 0.224 0.000 1.182 240 A CA 2.132 54.250 52.037 0.135 0.000 0.633 240 A CB -1.725 17.323 19.000 0.081 0.000 0.819 240 A HN 0.652 nan 8.150 nan 0.000 0.448 241 P HA -0.116 nan 4.420 nan 0.000 0.219 241 P C 1.280 178.933 177.300 0.589 0.000 1.146 241 P CA 0.820 64.177 63.100 0.428 0.000 0.808 241 P CB -0.104 31.744 31.700 0.248 0.000 0.779 242 L N -1.098 120.355 121.223 0.382 0.000 2.109 242 L HA -0.132 4.208 4.340 0.000 0.000 0.207 242 L C 2.522 179.505 176.870 0.189 0.000 1.086 242 L CA 1.351 56.341 54.840 0.249 0.000 0.760 242 L CB -0.857 41.302 42.059 0.168 0.000 0.910 242 L HN -0.013 nan 8.230 nan 0.000 0.437 243 Q N -1.131 118.796 119.800 0.211 0.000 2.172 243 Q HA -0.214 4.126 4.340 0.000 0.000 0.200 243 Q C 2.033 178.155 176.000 0.204 0.000 0.964 243 Q CA 1.454 57.357 55.803 0.166 0.000 0.855 243 Q CB -0.292 28.537 28.738 0.153 0.000 0.918 243 Q HN 0.481 nan 8.270 nan 0.000 0.444 244 Y N 1.699 122.103 120.300 0.173 0.000 2.089 244 Y HA -0.271 4.279 4.550 0.000 0.000 0.282 244 Y C 2.022 178.075 175.900 0.255 0.000 1.139 244 Y CA 1.394 59.627 58.100 0.220 0.000 1.123 244 Y CB -0.508 38.129 38.460 0.296 0.000 0.980 244 Y HN 0.093 nan 8.280 nan 0.000 0.493 245 L N 1.172 122.369 121.223 -0.043 0.000 2.017 245 L HA -0.080 4.260 4.340 0.000 0.000 0.208 245 L C 2.585 179.428 176.870 -0.044 0.000 1.073 245 L CA 2.134 56.899 54.840 -0.126 0.000 0.745 245 L CB -1.552 40.400 42.059 -0.180 0.000 0.894 245 L HN 0.389 nan 8.230 nan 0.000 0.432 246 A N 0.341 123.140 122.820 -0.036 0.000 1.906 246 A HA -0.297 4.023 4.320 0.000 0.000 0.222 246 A C 0.124 177.671 177.584 -0.061 0.000 1.282 246 A CA 2.817 54.832 52.037 -0.038 0.000 0.675 246 A CB -2.529 16.466 19.000 -0.008 0.000 0.838 246 A HN 0.498 nan 8.150 nan 0.000 0.469 247 P HA -0.185 nan 4.420 nan 0.000 0.215 247 P C 1.116 178.279 177.300 -0.228 0.000 1.157 247 P CA 1.764 64.739 63.100 -0.209 0.000 0.874 247 P CB -0.367 30.957 31.700 -0.626 0.000 0.790 248 Y N 0.348 120.571 120.300 -0.129 0.000 2.181 248 Y HA -0.145 4.405 4.550 0.000 0.000 0.288 248 Y C 2.724 178.586 175.900 -0.064 0.000 1.146 248 Y CA 1.625 59.650 58.100 -0.124 0.000 1.164 248 Y CB -1.691 36.636 38.460 -0.221 0.000 0.982 248 Y HN -0.059 nan 8.280 nan 0.000 0.515 249 S N -0.131 115.605 115.700 0.061 0.000 2.368 249 S HA -0.177 4.293 4.470 0.000 0.000 0.225 249 S C 2.409 177.028 174.600 0.032 0.000 1.030 249 S CA 1.234 59.444 58.200 0.016 0.000 0.999 249 S CB -1.084 62.097 63.200 -0.032 0.000 0.844 249 S HN 0.653 nan 8.310 nan 0.000 0.459 250 G N 0.101 108.924 108.800 0.038 0.000 2.422 250 G HA2 -0.228 3.732 3.960 0.000 0.000 0.218 250 G HA3 -0.228 3.732 3.960 0.000 0.000 0.218 250 G C 1.677 176.620 174.900 0.072 0.000 1.140 250 G CA 0.917 46.043 45.100 0.042 0.000 0.775 250 G HN 0.586 nan 8.290 nan 0.000 0.545 251 C N 0.638 120.007 119.300 0.114 0.000 2.432 251 C HA -0.015 4.445 4.460 0.000 0.000 0.277 251 C C 3.257 178.313 174.990 0.110 0.000 1.249 251 C CA 1.725 60.825 59.018 0.137 0.000 1.725 251 C CB -0.938 26.899 27.740 0.162 0.000 2.028 251 C HN 0.364 nan 8.230 nan 0.000 0.477 252 S N 0.862 116.615 115.700 0.089 0.000 2.359 252 S HA -0.214 4.256 4.470 0.000 0.000 0.224 252 S C 1.731 176.380 174.600 0.081 0.000 1.035 252 S CA 2.198 60.441 58.200 0.072 0.000 1.018 252 S CB -0.455 62.771 63.200 0.045 0.000 0.876 252 S HN 0.676 nan 8.310 nan 0.000 0.448 253 M N 0.921 120.567 119.600 0.077 0.000 2.267 253 M HA -0.072 4.408 4.480 0.000 0.000 0.263 253 M C 2.332 178.766 176.300 0.224 0.000 1.063 253 M CA 1.429 56.785 55.300 0.093 0.000 1.090 253 M CB -0.717 31.935 32.600 0.087 0.000 1.392 253 M HN 0.454 nan 8.290 nan 0.000 0.422 254 G N -0.131 108.805 108.800 0.227 0.000 2.453 254 G HA2 -0.107 3.853 3.960 0.000 0.000 0.215 254 G HA3 -0.107 3.853 3.960 0.000 0.000 0.215 254 G C 1.341 176.415 174.900 0.290 0.000 1.147 254 G CA 0.198 45.489 45.100 0.319 0.000 0.802 254 G HN 0.470 nan 8.290 nan 0.000 0.535 255 E N -0.528 119.776 120.200 0.173 0.000 2.204 255 E HA -0.122 4.228 4.350 0.000 0.000 0.194 255 E C 1.882 178.524 176.600 0.071 0.000 0.989 255 E CA 0.455 56.923 56.400 0.113 0.000 0.824 255 E CB -0.211 29.536 29.700 0.078 0.000 0.756 255 E HN 0.571 nan 8.360 nan 0.000 0.477 256 Y N 0.614 120.862 120.300 -0.086 0.000 2.114 256 Y HA -0.314 4.236 4.550 0.000 0.000 0.282 256 Y C 1.682 177.413 175.900 -0.282 0.000 1.165 256 Y CA 1.740 59.694 58.100 -0.245 0.000 1.148 256 Y CB -0.292 37.902 38.460 -0.444 0.000 0.972 256 Y HN -0.051 nan 8.280 nan 0.000 0.504 257 F N -0.043 119.922 119.950 0.025 0.000 2.113 257 F HA -0.083 4.444 4.527 0.000 0.000 0.297 257 F C 2.768 178.498 175.800 -0.116 0.000 1.103 257 F CA 1.786 59.744 58.000 -0.070 0.000 1.248 257 F CB -0.912 38.125 39.000 0.061 0.000 0.999 257 F HN -0.104 nan 8.300 nan 0.000 0.475 258 R N 0.549 121.133 120.500 0.140 0.000 2.096 258 R HA -0.197 4.143 4.340 0.000 0.000 0.240 258 R C 1.258 177.547 176.300 -0.019 0.000 1.139 258 R CA 2.210 58.347 56.100 0.061 0.000 0.952 258 R CB -0.425 29.922 30.300 0.078 0.000 0.854 258 R HN 0.176 nan 8.270 nan 0.000 0.436 259 D N -0.559 119.804 120.400 -0.062 0.000 2.349 259 D HA -0.010 4.630 4.640 0.000 0.000 0.215 259 D C 0.069 176.277 176.300 -0.153 0.000 1.016 259 D CA 0.651 54.605 54.000 -0.077 0.000 0.870 259 D CB 0.063 40.824 40.800 -0.066 0.000 0.917 259 D HN 0.307 nan 8.370 nan 0.000 0.524 260 N N -0.506 118.042 118.700 -0.254 0.000 2.453 260 N HA 0.271 5.011 4.740 0.000 0.000 0.270 260 N C 0.854 176.255 175.510 -0.180 0.000 1.195 260 N CA 0.040 52.921 53.050 -0.282 0.000 0.902 260 N CB 1.075 39.235 38.487 -0.544 0.000 1.186 260 N HN -0.001 nan 8.380 nan 0.000 0.510 261 G N 0.296 109.012 108.800 -0.139 0.000 2.175 261 G HA2 -0.349 3.611 3.960 0.000 0.000 0.265 261 G HA3 -0.349 3.611 3.960 0.000 0.000 0.265 261 G C 0.216 174.991 174.900 -0.208 0.000 0.979 261 G CA 0.619 45.635 45.100 -0.140 0.000 0.663 261 G HN 0.346 nan 8.290 nan 0.000 0.533 262 K N -0.489 119.814 120.400 -0.161 0.000 2.267 262 K HA 0.684 5.004 4.320 0.000 0.000 0.236 262 K C -0.368 176.098 176.600 -0.223 0.000 1.030 262 K CA -0.919 55.314 56.287 -0.089 0.000 0.930 262 K CB 0.828 33.457 32.500 0.214 0.000 1.182 262 K HN 0.284 nan 8.250 nan 0.000 0.474 263 H N -0.418 118.771 119.070 0.197 0.000 2.658 263 H HA 0.458 5.014 4.556 0.000 0.000 0.337 263 H C -1.003 174.361 175.328 0.060 0.000 1.009 263 H CA -0.654 55.449 56.048 0.092 0.000 1.231 263 H CB 1.847 31.606 29.762 -0.006 0.000 1.508 263 H HN 0.698 nan 8.280 nan 0.000 0.517 264 A N 2.897 125.806 122.820 0.148 0.000 2.350 264 A HA 0.634 4.954 4.320 0.000 0.000 0.318 264 A C -1.124 176.467 177.584 0.012 0.000 1.132 264 A CA -0.712 51.332 52.037 0.011 0.000 0.811 264 A CB 1.701 20.733 19.000 0.054 0.000 1.313 264 A HN 0.464 nan 8.150 nan 0.000 0.454 265 L N 1.199 122.405 121.223 -0.028 0.000 2.381 265 L HA 0.773 5.113 4.340 0.000 0.000 0.274 265 L C -1.020 175.812 176.870 -0.063 0.000 0.988 265 L CA -0.330 54.487 54.840 -0.038 0.000 0.824 265 L CB 1.285 43.322 42.059 -0.037 0.000 1.263 265 L HN 0.706 nan 8.230 nan 0.000 0.410 266 I N 5.047 125.540 120.570 -0.128 0.000 2.603 266 I HA 0.595 4.765 4.170 0.000 0.000 0.300 266 I C -1.168 174.710 176.117 -0.398 0.000 1.017 266 I CA -0.591 60.541 61.300 -0.279 0.000 1.098 266 I CB 1.578 39.347 38.000 -0.386 0.000 1.279 266 I HN 0.612 nan 8.210 nan 0.000 0.437 267 I N 6.954 127.241 120.570 -0.472 0.000 2.466 267 I HA 0.271 4.441 4.170 0.000 0.000 0.289 267 I C -1.520 174.248 176.117 -0.583 0.000 1.026 267 I CA -0.587 60.468 61.300 -0.408 0.000 1.078 267 I CB 1.547 39.440 38.000 -0.179 0.000 1.249 267 I HN 0.433 nan 8.210 nan 0.000 0.429 268 Y N 3.899 124.075 120.300 -0.207 0.000 2.402 268 Y HA 0.393 4.943 4.550 0.000 0.000 0.332 268 Y C -0.289 175.474 175.900 -0.230 0.000 0.960 268 Y CA -0.942 57.013 58.100 -0.241 0.000 1.228 268 Y CB 0.812 39.137 38.460 -0.225 0.000 1.120 268 Y HN 0.375 nan 8.280 nan 0.000 0.491 269 D N 3.274 123.580 120.400 -0.157 0.000 2.389 269 D HA 0.226 4.866 4.640 0.000 0.000 0.256 269 D C -1.413 174.842 176.300 -0.076 0.000 1.239 269 D CA -0.535 53.385 54.000 -0.133 0.000 0.925 269 D CB 0.602 41.275 40.800 -0.211 0.000 1.145 269 D HN 0.648 nan 8.370 nan 0.000 0.542 270 D N 0.937 121.323 120.400 -0.024 0.000 2.450 270 D HA 0.282 4.922 4.640 0.000 0.000 0.238 270 D C 0.978 177.256 176.300 -0.036 0.000 1.020 270 D CA -0.778 53.205 54.000 -0.027 0.000 1.010 270 D CB 1.268 42.062 40.800 -0.010 0.000 1.342 270 D HN 0.158 nan 8.370 nan 0.000 0.530 271 L N 0.217 121.383 121.223 -0.095 0.000 2.395 271 L HA -0.033 4.307 4.340 0.000 0.000 0.218 271 L C 1.754 178.589 176.870 -0.058 0.000 1.130 271 L CA 0.488 55.222 54.840 -0.177 0.000 0.826 271 L CB -0.277 41.468 42.059 -0.524 0.000 0.941 271 L HN 0.433 nan 8.230 nan 0.000 0.451 272 S N -0.018 115.671 115.700 -0.018 0.000 2.368 272 S HA -0.141 4.329 4.470 0.000 0.000 0.224 272 S C 1.906 176.575 174.600 0.115 0.000 1.029 272 S CA 1.134 59.366 58.200 0.053 0.000 0.988 272 S CB -0.009 63.221 63.200 0.049 0.000 0.838 272 S HN 0.369 nan 8.310 nan 0.000 0.462 273 K N 1.037 121.489 120.400 0.087 0.000 2.217 273 K HA -0.035 4.285 4.320 0.000 0.000 0.202 273 K C 2.402 179.085 176.600 0.139 0.000 1.051 273 K CA 0.642 56.994 56.287 0.107 0.000 0.952 273 K CB -0.075 32.471 32.500 0.078 0.000 0.736 273 K HN 0.356 nan 8.250 nan 0.000 0.453 274 Q N 0.805 120.686 119.800 0.135 0.000 2.049 274 Q HA -0.122 4.218 4.340 0.000 0.000 0.198 274 Q C 2.044 178.199 176.000 0.257 0.000 0.971 274 Q CA 1.428 57.337 55.803 0.178 0.000 0.833 274 Q CB -0.074 28.737 28.738 0.123 0.000 0.896 274 Q HN 0.279 nan 8.270 nan 0.000 0.434 275 A N 0.940 123.922 122.820 0.271 0.000 1.940 275 A HA -0.164 4.156 4.320 0.000 0.000 0.219 275 A C 2.203 180.047 177.584 0.434 0.000 1.176 275 A CA 1.891 54.104 52.037 0.294 0.000 0.631 275 A CB -1.080 18.022 19.000 0.170 0.000 0.814 275 A HN 0.464 nan 8.150 nan 0.000 0.446 276 V N -2.375 117.748 119.914 0.348 0.000 2.427 276 V HA -0.040 4.080 4.120 0.000 0.000 0.248 276 V C 2.468 178.672 176.094 0.183 0.000 1.051 276 V CA 1.958 64.413 62.300 0.258 0.000 1.048 276 V CB -1.329 30.595 31.823 0.170 0.000 0.666 276 V HN 0.528 nan 8.190 nan 0.000 0.456 277 A N -0.625 122.315 122.820 0.200 0.000 1.902 277 A HA -0.191 4.129 4.320 0.000 0.000 0.217 277 A C 2.198 179.889 177.584 0.179 0.000 1.181 277 A CA 2.041 54.183 52.037 0.176 0.000 0.623 277 A CB -1.050 18.075 19.000 0.209 0.000 0.818 277 A HN 0.780 nan 8.150 nan 0.000 0.443 278 Y N 0.319 120.688 120.300 0.116 0.000 2.293 278 Y HA -0.151 4.399 4.550 0.000 0.000 0.291 278 Y C 2.487 178.405 175.900 0.031 0.000 1.137 278 Y CA 1.820 59.943 58.100 0.037 0.000 1.202 278 Y CB -0.322 38.197 38.460 0.097 0.000 0.990 278 Y HN 0.346 nan 8.280 nan 0.000 0.537 279 R N 0.199 120.765 120.500 0.110 0.000 2.073 279 R HA -0.233 4.107 4.340 0.000 0.000 0.234 279 R C 2.449 178.675 176.300 -0.123 0.000 1.134 279 R CA 1.888 57.971 56.100 -0.028 0.000 0.952 279 R CB -0.420 29.832 30.300 -0.080 0.000 0.850 279 R HN 0.531 nan 8.270 nan 0.000 0.433 280 Q N 0.313 120.068 119.800 -0.076 0.000 2.061 280 Q HA -0.222 4.118 4.340 0.000 0.000 0.204 280 Q C 2.086 178.008 176.000 -0.130 0.000 0.984 280 Q CA 2.155 57.909 55.803 -0.083 0.000 0.846 280 Q CB -0.092 28.625 28.738 -0.035 0.000 0.902 280 Q HN 0.420 nan 8.270 nan 0.000 0.421 281 M N 0.021 119.517 119.600 -0.173 0.000 2.080 281 M HA -0.182 4.298 4.480 0.000 0.000 0.260 281 M C 2.369 178.486 176.300 -0.305 0.000 1.068 281 M CA 1.835 56.989 55.300 -0.244 0.000 1.109 281 M CB -0.121 32.283 32.600 -0.328 0.000 1.342 281 M HN 0.134 nan 8.290 nan 0.000 0.405 282 S N 0.819 116.262 115.700 -0.429 0.000 2.368 282 S HA -0.060 4.410 4.470 0.000 0.000 0.225 282 S C 1.892 176.377 174.600 -0.192 0.000 1.030 282 S CA 1.166 59.150 58.200 -0.360 0.000 0.999 282 S CB -0.535 62.414 63.200 -0.417 0.000 0.844 282 S HN 0.387 nan 8.310 nan 0.000 0.459 283 L N 1.145 122.275 121.223 -0.156 0.000 2.083 283 L HA -0.083 4.257 4.340 0.000 0.000 0.209 283 L C 2.201 179.015 176.870 -0.094 0.000 1.083 283 L CA 1.007 55.785 54.840 -0.105 0.000 0.752 283 L CB -0.709 41.294 42.059 -0.092 0.000 0.899 283 L HN 0.275 nan 8.230 nan 0.000 0.433 284 L N -0.473 120.686 121.223 -0.105 0.000 2.191 284 L HA -0.189 4.151 4.340 0.000 0.000 0.212 284 L C 2.264 179.083 176.870 -0.084 0.000 1.103 284 L CA 0.915 55.704 54.840 -0.085 0.000 0.769 284 L CB -0.322 41.686 42.059 -0.084 0.000 0.908 284 L HN 0.306 nan 8.230 nan 0.000 0.438 285 L N -0.416 120.744 121.223 -0.105 0.000 2.610 285 L HA 0.006 4.346 4.340 0.000 0.000 0.232 285 L C 0.735 177.567 176.870 -0.065 0.000 1.149 285 L CA 0.194 54.982 54.840 -0.087 0.000 0.872 285 L CB -0.195 41.799 42.059 -0.108 0.000 0.992 285 L HN 0.291 nan 8.230 nan 0.000 0.447 286 R N 0.074 120.536 120.500 -0.064 0.000 3.651 286 R HA -0.169 4.171 4.340 0.000 0.000 0.292 286 R C -0.055 176.222 176.300 -0.039 0.000 1.161 286 R CA 0.349 56.421 56.100 -0.047 0.000 0.787 286 R CB -1.832 28.447 30.300 -0.035 0.000 1.249 286 R HN 0.394 nan 8.270 nan 0.000 0.476 287 R N 1.607 122.076 120.500 -0.050 0.000 2.491 287 R HA 0.121 4.461 4.340 0.000 0.000 0.283 287 R C -1.909 174.380 176.300 -0.018 0.000 1.072 287 R CA -1.548 54.533 56.100 -0.032 0.000 1.048 287 R CB 0.249 30.520 30.300 -0.049 0.000 0.983 287 R HN -0.085 nan 8.270 nan 0.000 0.450 288 P HA -0.010 nan 4.420 nan 0.000 0.256 288 P C -2.308 175.004 177.300 0.019 0.000 1.189 288 P CA -0.808 62.297 63.100 0.008 0.000 0.808 288 P CB -0.235 31.474 31.700 0.016 0.000 0.793 289 P HA 0.168 nan 4.420 nan 0.000 0.271 289 P C 0.479 177.799 177.300 0.033 0.000 1.216 289 P CA 0.278 63.388 63.100 0.016 0.000 0.771 289 P CB 1.160 32.852 31.700 -0.013 0.000 0.864 290 G N 2.603 111.444 108.800 0.069 0.000 3.407 290 G HA2 0.264 4.224 3.960 0.000 0.000 0.187 290 G HA3 0.264 4.224 3.960 0.000 0.000 0.187 290 G C -0.485 174.442 174.900 0.045 0.000 1.262 290 G CA -0.687 44.445 45.100 0.054 0.000 0.808 290 G HN 0.470 nan 8.290 nan 0.000 0.687 291 R N 1.172 121.671 120.500 -0.001 0.000 2.480 291 R HA 0.139 4.479 4.340 0.000 0.000 0.303 291 R C -0.032 176.388 176.300 0.200 0.000 0.985 291 R CA 0.687 56.749 56.100 -0.064 0.000 1.051 291 R CB -0.327 29.634 30.300 -0.565 0.000 0.935 291 R HN 0.649 nan 8.270 nan 0.000 0.410 292 E N 2.737 123.019 120.200 0.137 0.000 2.539 292 E HA -0.326 4.024 4.350 0.000 0.000 0.253 292 E C 0.148 176.751 176.600 0.005 0.000 1.145 292 E CA 0.491 56.980 56.400 0.149 0.000 0.738 292 E CB -1.143 28.772 29.700 0.357 0.000 1.308 292 E HN 0.908 nan 8.360 nan 0.000 0.409 293 A N -1.935 120.891 122.820 0.009 0.000 2.816 293 A HA -0.289 4.031 4.320 0.000 0.000 0.270 293 A C -0.150 177.386 177.584 -0.081 0.000 1.413 293 A CA 1.797 53.801 52.037 -0.054 0.000 0.866 293 A CB -2.040 16.893 19.000 -0.111 0.000 1.032 293 A HN 0.431 nan 8.150 nan 0.000 0.642 294 Y N 0.111 120.502 120.300 0.152 0.000 2.301 294 Y HA 0.501 5.051 4.550 0.000 0.000 0.325 294 Y C -1.370 174.641 175.900 0.184 0.000 1.203 294 Y CA -1.649 56.565 58.100 0.189 0.000 1.255 294 Y CB 0.627 39.257 38.460 0.282 0.000 1.232 294 Y HN 0.223 nan 8.280 nan 0.000 0.501 295 P HA 0.036 nan 4.420 nan 0.000 0.272 295 P C 0.600 178.072 177.300 0.286 0.000 1.230 295 P CA -0.015 63.224 63.100 0.232 0.000 0.788 295 P CB 0.849 32.655 31.700 0.176 0.000 0.949 296 G N 1.168 110.102 108.800 0.223 0.000 2.498 296 G HA2 -0.193 3.767 3.960 0.000 0.000 0.219 296 G HA3 -0.193 3.767 3.960 0.000 0.000 0.219 296 G C 0.609 175.662 174.900 0.254 0.000 1.119 296 G CA 0.456 45.691 45.100 0.226 0.000 0.766 296 G HN 0.619 nan 8.290 nan 0.000 0.552 297 D N 0.709 121.276 120.400 0.277 0.000 2.358 297 D HA -0.000 4.640 4.640 0.000 0.000 0.224 297 D C 2.162 178.594 176.300 0.221 0.000 1.123 297 D CA 0.358 54.533 54.000 0.293 0.000 0.833 297 D CB -0.332 40.662 40.800 0.323 0.000 0.946 297 D HN 0.279 nan 8.370 nan 0.000 0.505 298 V N -2.050 117.973 119.914 0.182 0.000 2.490 298 V HA -0.141 3.979 4.120 0.000 0.000 0.250 298 V C 2.250 178.248 176.094 -0.159 0.000 1.061 298 V CA 0.942 63.219 62.300 -0.039 0.000 1.064 298 V CB -1.377 30.338 31.823 -0.180 0.000 0.670 298 V HN 0.130 nan 8.190 nan 0.000 0.461 299 F N 1.128 121.012 119.950 -0.110 0.000 2.051 299 F HA -0.170 4.357 4.527 0.000 0.000 0.296 299 F C 2.396 178.199 175.800 0.005 0.000 1.122 299 F CA 2.050 60.012 58.000 -0.062 0.000 1.201 299 F CB -0.778 38.234 39.000 0.022 0.000 0.978 299 F HN 0.181 nan 8.300 nan 0.000 0.472 300 Y N 0.818 120.998 120.300 -0.199 0.000 2.207 300 Y HA -0.232 4.318 4.550 0.000 0.000 0.287 300 Y C 2.243 177.971 175.900 -0.286 0.000 1.156 300 Y CA 1.665 59.609 58.100 -0.261 0.000 1.182 300 Y CB -1.039 37.407 38.460 -0.023 0.000 0.979 300 Y HN 0.268 nan 8.280 nan 0.000 0.521 301 L N -0.273 120.732 121.223 -0.362 0.000 2.021 301 L HA -0.316 4.024 4.340 0.000 0.000 0.215 301 L C 2.194 178.808 176.870 -0.427 0.000 1.074 301 L CA 2.543 57.087 54.840 -0.493 0.000 0.760 301 L CB -0.653 41.022 42.059 -0.639 0.000 0.889 301 L HN 0.374 nan 8.230 nan 0.000 0.433 302 H N -2.319 116.541 119.070 -0.350 0.000 2.497 302 H HA 0.015 4.571 4.556 0.000 0.000 0.282 302 H C 2.338 177.426 175.328 -0.401 0.000 1.003 302 H CA 0.671 56.494 56.048 -0.374 0.000 1.307 302 H CB 0.131 29.702 29.762 -0.319 0.000 1.437 302 H HN 0.508 nan 8.280 nan 0.000 0.544 303 S N 1.615 117.062 115.700 -0.422 0.000 2.355 303 S HA -0.216 4.254 4.470 0.000 0.000 0.222 303 S C 2.121 176.586 174.600 -0.226 0.000 1.031 303 S CA 1.066 59.014 58.200 -0.420 0.000 0.993 303 S CB -0.234 62.526 63.200 -0.734 0.000 0.859 303 S HN 0.534 nan 8.310 nan 0.000 0.453 304 R N 0.899 121.241 120.500 -0.264 0.000 2.096 304 R HA 0.063 4.403 4.340 0.000 0.000 0.235 304 R C 2.343 178.578 176.300 -0.109 0.000 1.127 304 R CA 1.260 57.250 56.100 -0.185 0.000 0.968 304 R CB -0.869 29.210 30.300 -0.368 0.000 0.861 304 R HN 0.436 nan 8.270 nan 0.000 0.440 305 L N 1.438 122.583 121.223 -0.129 0.000 1.961 305 L HA -0.070 4.270 4.340 0.000 0.000 0.210 305 L C 2.231 179.013 176.870 -0.146 0.000 1.072 305 L CA 1.672 56.413 54.840 -0.166 0.000 0.749 305 L CB -0.376 41.410 42.059 -0.456 0.000 0.889 305 L HN 0.214 nan 8.230 nan 0.000 0.432 306 L N -0.461 120.664 121.223 -0.164 0.000 2.275 306 L HA -0.115 4.225 4.340 0.000 0.000 0.215 306 L C 2.460 179.313 176.870 -0.028 0.000 1.119 306 L CA 0.615 55.408 54.840 -0.078 0.000 0.790 306 L CB -0.631 41.374 42.059 -0.090 0.000 0.919 306 L HN 0.354 nan 8.230 nan 0.000 0.443 307 E N 0.342 120.519 120.200 -0.039 0.000 2.265 307 E HA -0.177 4.173 4.350 0.000 0.000 0.196 307 E C 2.180 178.782 176.600 0.004 0.000 0.996 307 E CA 0.780 57.173 56.400 -0.011 0.000 0.832 307 E CB 0.057 29.752 29.700 -0.008 0.000 0.756 307 E HN 0.508 nan 8.360 nan 0.000 0.491 308 R N 0.456 120.962 120.500 0.011 0.000 2.148 308 R HA 0.064 4.404 4.340 0.000 0.000 0.223 308 R C 0.995 177.322 176.300 0.044 0.000 1.088 308 R CA 0.482 56.600 56.100 0.029 0.000 0.985 308 R CB 0.021 30.346 30.300 0.042 0.000 0.880 308 R HN -0.075 nan 8.270 nan 0.000 0.451 309 A N 1.173 124.026 122.820 0.054 0.000 2.454 309 A HA 0.573 4.893 4.320 0.000 0.000 0.260 309 A C -0.155 177.449 177.584 0.034 0.000 1.106 309 A CA 0.178 52.248 52.037 0.054 0.000 0.780 309 A CB 0.334 19.370 19.000 0.060 0.000 1.044 309 A HN 0.332 nan 8.150 nan 0.000 0.498 310 A N 2.220 125.060 122.820 0.034 0.000 2.586 310 A HA 0.739 5.059 4.320 0.000 0.000 0.290 310 A C -0.920 176.683 177.584 0.033 0.000 1.086 310 A CA -0.713 51.336 52.037 0.021 0.000 0.665 310 A CB 1.041 20.042 19.000 0.002 0.000 1.279 310 A HN 0.943 nan 8.150 nan 0.000 0.423 311 K N 1.352 121.766 120.400 0.024 0.000 2.449 311 K HA 0.589 4.909 4.320 0.000 0.000 0.257 311 K C -0.776 175.842 176.600 0.029 0.000 0.989 311 K CA -0.366 55.946 56.287 0.042 0.000 0.916 311 K CB 0.449 32.970 32.500 0.034 0.000 1.136 311 K HN 0.595 nan 8.250 nan 0.000 0.439 312 M N 2.856 122.483 119.600 0.046 0.000 2.242 312 M HA 0.198 4.678 4.480 0.000 0.000 0.344 312 M C 0.413 176.759 176.300 0.078 0.000 1.140 312 M CA -0.509 54.818 55.300 0.044 0.000 1.160 312 M CB 0.129 32.771 32.600 0.070 0.000 1.491 312 M HN 0.754 nan 8.290 nan 0.000 0.459 313 N N 0.973 119.734 118.700 0.101 0.000 2.364 313 N HA 0.130 4.870 4.740 0.000 0.000 0.264 313 N C 0.084 175.685 175.510 0.151 0.000 1.263 313 N CA -0.285 52.839 53.050 0.122 0.000 0.959 313 N CB 0.500 39.062 38.487 0.125 0.000 1.204 313 N HN 0.409 nan 8.380 nan 0.000 0.550 314 D N -0.454 120.009 120.400 0.106 0.000 2.117 314 D HA -0.104 4.536 4.640 0.000 0.000 0.197 314 D C 1.634 177.959 176.300 0.042 0.000 0.987 314 D CA 1.825 55.864 54.000 0.065 0.000 0.829 314 D CB -0.750 40.073 40.800 0.039 0.000 0.961 314 D HN 0.717 nan 8.370 nan 0.000 0.460 315 A N -0.440 122.410 122.820 0.051 0.000 2.178 315 A HA -0.115 4.205 4.320 0.000 0.000 0.218 315 A C 1.184 178.571 177.584 -0.328 0.000 1.157 315 A CA 0.767 52.733 52.037 -0.117 0.000 0.689 315 A CB -0.578 18.350 19.000 -0.120 0.000 0.787 315 A HN 0.174 nan 8.150 nan 0.000 0.465 316 F N -1.660 118.281 119.950 -0.015 0.000 2.698 316 F HA 0.428 4.955 4.527 0.000 0.000 0.304 316 F C 1.624 177.402 175.800 -0.036 0.000 1.108 316 F CA 0.427 58.413 58.000 -0.023 0.000 1.263 316 F CB 0.682 39.672 39.000 -0.016 0.000 1.013 316 F HN 0.293 nan 8.300 nan 0.000 0.532 317 G N -0.431 108.398 108.800 0.049 0.000 2.238 317 G HA2 -0.083 3.877 3.960 0.000 0.000 0.217 317 G HA3 -0.083 3.877 3.960 0.000 0.000 0.217 317 G C 1.276 176.178 174.900 0.004 0.000 0.996 317 G CA -0.109 44.991 45.100 0.000 0.000 0.632 317 G HN 1.056 nan 8.290 nan 0.000 0.503 318 G N -0.432 108.397 108.800 0.048 0.000 2.162 318 G HA2 0.166 4.126 3.960 0.000 0.000 0.260 318 G HA3 0.166 4.126 3.960 0.000 0.000 0.260 318 G C 1.557 176.468 174.900 0.018 0.000 0.976 318 G CA 1.128 46.260 45.100 0.053 0.000 0.655 318 G HN 2.095 nan 8.290 nan 0.000 0.533 319 G N -0.523 108.240 108.800 -0.062 0.000 2.611 319 G HA2 0.749 4.709 3.960 0.000 0.000 0.273 319 G HA3 0.749 4.709 3.960 0.000 0.000 0.273 319 G C 0.336 175.257 174.900 0.034 0.000 1.305 319 G CA 1.011 45.992 45.100 -0.199 0.000 1.010 319 G HN 1.959 nan 8.290 nan 0.000 0.509 320 S N -2.189 113.582 115.700 0.118 0.000 2.595 320 S HA 0.538 5.008 4.470 0.000 0.000 0.270 320 S C -1.803 172.898 174.600 0.169 0.000 1.145 320 S CA -0.777 57.538 58.200 0.193 0.000 0.825 320 S CB 1.762 65.115 63.200 0.255 0.000 1.107 320 S HN 1.293 nan 8.310 nan 0.000 0.461 321 L N 1.642 122.931 121.223 0.111 0.000 2.446 321 L HA 0.683 5.023 4.340 0.000 0.000 0.268 321 L C -0.744 176.156 176.870 0.051 0.000 0.975 321 L CA 0.231 55.124 54.840 0.088 0.000 0.848 321 L CB 1.697 43.810 42.059 0.090 0.000 1.225 321 L HN 0.932 nan 8.230 nan 0.000 0.410 322 T N 4.234 118.803 114.554 0.026 0.000 2.799 322 T HA 0.813 5.163 4.350 0.000 0.000 0.286 322 T C -0.149 174.540 174.700 -0.018 0.000 0.973 322 T CA -0.113 61.987 62.100 -0.001 0.000 1.035 322 T CB 1.208 70.062 68.868 -0.024 0.000 0.932 322 T HN 0.776 nan 8.240 nan 0.000 0.469 323 A N 3.656 126.473 122.820 -0.005 0.000 2.331 323 A HA 0.759 5.079 4.320 0.000 0.000 0.320 323 A C -0.511 177.066 177.584 -0.012 0.000 1.138 323 A CA -0.735 51.291 52.037 -0.017 0.000 0.790 323 A CB 0.628 19.689 19.000 0.101 0.000 1.206 323 A HN 0.863 nan 8.150 nan 0.000 0.470 324 L N 4.453 125.641 121.223 -0.058 0.000 2.445 324 L HA 0.324 4.664 4.340 0.000 0.000 0.252 324 L C -2.364 174.502 176.870 -0.007 0.000 1.105 324 L CA -1.751 53.075 54.840 -0.024 0.000 0.943 324 L CB 1.486 43.529 42.059 -0.026 0.000 1.277 324 L HN 0.490 nan 8.230 nan 0.000 0.465 325 P HA 0.135 nan 4.420 nan 0.000 0.275 325 P C -0.535 176.763 177.300 -0.002 0.000 1.227 325 P CA -0.102 63.043 63.100 0.075 0.000 0.781 325 P CB 1.901 33.609 31.700 0.014 0.000 0.906 326 V N 4.484 124.386 119.914 -0.020 0.000 2.459 326 V HA 0.429 4.549 4.120 0.000 0.000 0.295 326 V C 0.290 176.357 176.094 -0.045 0.000 1.029 326 V CA -0.570 61.716 62.300 -0.023 0.000 0.874 326 V CB 1.706 33.522 31.823 -0.012 0.000 0.985 326 V HN 0.421 nan 8.190 nan 0.000 0.438 327 I N 3.441 123.996 120.570 -0.026 0.000 2.499 327 I HA 0.412 4.582 4.170 0.000 0.000 0.288 327 I C -0.089 176.036 176.117 0.013 0.000 1.048 327 I CA -0.386 60.900 61.300 -0.023 0.000 1.062 327 I CB 2.098 40.079 38.000 -0.031 0.000 1.238 327 I HN 0.804 nan 8.210 nan 0.000 0.426 328 E N 5.388 125.599 120.200 0.018 0.000 2.115 328 E HA 0.385 4.735 4.350 0.000 0.000 0.282 328 E C -0.564 176.067 176.600 0.052 0.000 0.987 328 E CA -0.367 56.051 56.400 0.029 0.000 0.797 328 E CB 1.076 30.791 29.700 0.025 0.000 1.086 328 E HN 0.676 nan 8.360 nan 0.000 0.397 329 T N 2.070 116.669 114.554 0.074 0.000 2.918 329 T HA 0.289 4.639 4.350 0.000 0.000 0.283 329 T C 0.048 174.794 174.700 0.076 0.000 1.001 329 T CA -1.042 61.112 62.100 0.091 0.000 1.041 329 T CB 1.509 70.464 68.868 0.145 0.000 1.028 329 T HN 0.355 nan 8.240 nan 0.000 0.511 330 Q N 0.721 120.566 119.800 0.076 0.000 2.278 330 Q HA 0.503 4.843 4.340 0.000 0.000 0.257 330 Q C 0.629 176.668 176.000 0.065 0.000 0.928 330 Q CA -0.136 55.706 55.803 0.066 0.000 0.932 330 Q CB 1.223 30.002 28.738 0.068 0.000 1.221 330 Q HN 1.183 nan 8.270 nan 0.000 0.434 331 A N 2.478 125.331 122.820 0.055 0.000 2.550 331 A HA -0.173 4.147 4.320 0.000 0.000 0.298 331 A C 1.189 178.818 177.584 0.074 0.000 1.485 331 A CA 1.333 53.402 52.037 0.053 0.000 0.780 331 A CB -2.117 16.911 19.000 0.047 0.000 1.045 331 A HN 1.476 nan 8.150 nan 0.000 0.423 332 G N -0.965 107.904 108.800 0.115 0.000 2.168 332 G HA2 -0.262 3.698 3.960 0.000 0.000 0.257 332 G HA3 -0.262 3.698 3.960 0.000 0.000 0.257 332 G C 0.001 174.968 174.900 0.112 0.000 0.997 332 G CA 0.912 46.136 45.100 0.207 0.000 0.708 332 G HN 1.461 nan 8.290 nan 0.000 0.520 333 D N 0.573 121.017 120.400 0.074 0.000 2.435 333 D HA 0.361 5.001 4.640 0.000 0.000 0.230 333 D C 1.743 178.049 176.300 0.011 0.000 1.215 333 D CA 0.258 54.277 54.000 0.032 0.000 0.947 333 D CB 0.604 41.430 40.800 0.043 0.000 1.048 333 D HN 0.587 nan 8.370 nan 0.000 0.512 334 V N 1.192 121.070 119.914 -0.060 0.000 3.623 334 V HA 0.118 4.238 4.120 0.000 0.000 0.271 334 V C 1.274 177.339 176.094 -0.048 0.000 1.248 334 V CA 0.322 62.569 62.300 -0.088 0.000 1.156 334 V CB 0.031 31.703 31.823 -0.250 0.000 0.870 334 V HN 0.270 nan 8.190 nan 0.000 0.453 335 S N 0.686 116.372 115.700 -0.022 0.000 2.556 335 S HA 0.598 5.068 4.470 0.000 0.000 0.216 335 S C 1.200 175.825 174.600 0.041 0.000 0.970 335 S CA 0.340 58.541 58.200 0.001 0.000 0.912 335 S CB 0.090 63.286 63.200 -0.007 0.000 0.790 335 S HN 0.885 nan 8.310 nan 0.000 0.504 336 A N 0.570 123.424 122.820 0.057 0.000 2.346 336 A HA 0.379 4.699 4.320 0.000 0.000 0.252 336 A C 0.908 178.587 177.584 0.159 0.000 1.089 336 A CA -0.224 51.877 52.037 0.106 0.000 0.797 336 A CB -0.143 18.923 19.000 0.109 0.000 1.047 336 A HN 0.314 nan 8.150 nan 0.000 0.494 337 Y N 0.854 121.172 120.300 0.029 0.000 2.053 337 Y HA -0.241 4.309 4.550 0.000 0.000 0.277 337 Y C 1.978 177.871 175.900 -0.012 0.000 1.159 337 Y CA 2.219 60.329 58.100 0.016 0.000 1.125 337 Y CB -0.320 38.162 38.460 0.038 0.000 0.969 337 Y HN 0.490 nan 8.280 nan 0.000 0.492 338 I N 0.516 121.031 120.570 -0.092 0.000 2.142 338 I HA -0.202 3.968 4.170 0.000 0.000 0.240 338 I C -0.294 175.778 176.117 -0.075 0.000 1.078 338 I CA 1.418 62.584 61.300 -0.224 0.000 1.343 338 I CB -2.897 34.956 38.000 -0.245 0.000 1.046 338 I HN 0.145 nan 8.210 nan 0.000 0.405 339 P HA -0.163 nan 4.420 nan 0.000 0.216 339 P C 1.819 179.126 177.300 0.011 0.000 1.157 339 P CA 2.575 65.676 63.100 0.001 0.000 0.880 339 P CB -0.325 31.388 31.700 0.020 0.000 0.791 340 T N -3.527 111.049 114.554 0.037 0.000 2.777 340 T HA -0.127 4.223 4.350 0.000 0.000 0.266 340 T C 1.737 176.479 174.700 0.070 0.000 1.040 340 T CA 1.224 63.355 62.100 0.051 0.000 1.141 340 T CB -1.230 67.681 68.868 0.072 0.000 0.868 340 T HN -0.031 nan 8.240 nan 0.000 0.444 341 N N 1.559 120.303 118.700 0.073 0.000 2.021 341 N HA -0.099 4.641 4.740 0.000 0.000 0.198 341 N C 2.018 177.622 175.510 0.155 0.000 1.041 341 N CA 1.528 54.669 53.050 0.152 0.000 0.862 341 N CB -0.980 37.544 38.487 0.062 0.000 1.048 341 N HN 0.347 nan 8.380 nan 0.000 0.427 342 V N 1.620 121.563 119.914 0.049 0.000 2.358 342 V HA -0.149 3.971 4.120 0.000 0.000 0.246 342 V C 2.311 178.418 176.094 0.022 0.000 1.047 342 V CA 1.102 63.400 62.300 -0.004 0.000 1.035 342 V CB -0.477 31.284 31.823 -0.103 0.000 0.658 342 V HN 0.248 nan 8.190 nan 0.000 0.452 343 I N 1.504 122.089 120.570 0.025 0.000 2.248 343 I HA -0.266 3.904 4.170 0.000 0.000 0.248 343 I C 2.424 178.571 176.117 0.049 0.000 1.107 343 I CA 2.058 63.373 61.300 0.026 0.000 1.373 343 I CB -0.412 37.596 38.000 0.012 0.000 1.055 343 I HN 0.507 nan 8.210 nan 0.000 0.418 344 S N -0.305 115.448 115.700 0.088 0.000 2.603 344 S HA 0.123 4.593 4.470 0.000 0.000 0.220 344 S C 1.554 176.249 174.600 0.159 0.000 0.967 344 S CA 0.207 58.476 58.200 0.116 0.000 0.920 344 S CB -0.300 62.975 63.200 0.126 0.000 0.773 344 S HN 0.433 nan 8.310 nan 0.000 0.529 345 I N 1.713 122.358 120.570 0.124 0.000 2.947 345 I HA 0.046 4.216 4.170 0.000 0.000 0.263 345 I C 1.634 177.774 176.117 0.038 0.000 1.130 345 I CA 0.641 61.989 61.300 0.080 0.000 1.448 345 I CB -0.341 37.662 38.000 0.004 0.000 1.222 345 I HN 0.355 nan 8.210 nan 0.000 0.453 346 T N -1.530 113.038 114.554 0.023 0.000 2.698 346 T HA 0.062 4.412 4.350 0.000 0.000 0.295 346 T C 0.195 174.908 174.700 0.022 0.000 1.007 346 T CA -0.302 61.807 62.100 0.015 0.000 0.980 346 T CB 0.533 69.406 68.868 0.008 0.000 1.036 346 T HN 0.025 nan 8.240 nan 0.000 0.526 347 D N 0.666 121.076 120.400 0.017 0.000 3.058 347 D HA 0.468 5.108 4.640 0.000 0.000 0.272 347 D C 0.803 177.112 176.300 0.016 0.000 1.350 347 D CA 0.214 54.224 54.000 0.017 0.000 0.863 347 D CB -0.158 40.650 40.800 0.013 0.000 1.064 347 D HN 1.039 nan 8.370 nan 0.000 0.488 348 G N 0.940 109.751 108.800 0.018 0.000 2.381 348 G HA2 0.121 4.081 3.960 0.000 0.000 0.672 348 G HA3 0.121 4.081 3.960 0.000 0.000 0.672 348 G C -1.589 173.326 174.900 0.025 0.000 1.324 348 G CA -1.066 44.046 45.100 0.020 0.000 0.975 348 G HN 0.125 nan 8.290 nan 0.000 0.593 349 Q N -1.321 118.499 119.800 0.034 0.000 2.391 349 Q HA 0.699 5.039 4.340 0.000 0.000 0.279 349 Q C -0.723 175.321 176.000 0.074 0.000 1.028 349 Q CA -0.630 55.203 55.803 0.050 0.000 0.836 349 Q CB 2.237 31.008 28.738 0.054 0.000 1.414 349 Q HN 0.727 nan 8.270 nan 0.000 0.397 350 I N 1.955 122.575 120.570 0.083 0.000 2.328 350 I HA 0.369 4.539 4.170 0.000 0.000 0.287 350 I C -0.986 175.222 176.117 0.151 0.000 1.012 350 I CA -0.654 60.702 61.300 0.094 0.000 1.195 350 I CB 0.508 38.540 38.000 0.054 0.000 1.350 350 I HN 0.491 nan 8.210 nan 0.000 0.464 351 F N 7.868 127.821 119.950 0.005 0.000 2.404 351 F HA 0.527 5.054 4.527 0.000 0.000 0.345 351 F C -0.661 175.142 175.800 0.004 0.000 1.110 351 F CA -0.757 57.243 58.000 0.000 0.000 1.130 351 F CB 0.738 39.738 39.000 0.001 0.000 1.129 351 F HN 0.196 nan 8.300 nan 0.000 0.500 352 L N 6.076 126.911 121.223 -0.647 0.000 2.280 352 L HA 0.382 4.722 4.340 0.000 0.000 0.287 352 L C -0.350 175.982 176.870 -0.897 0.000 1.023 352 L CA -0.650 53.858 54.840 -0.554 0.000 0.819 352 L CB 1.407 43.287 42.059 -0.298 0.000 1.212 352 L HN 0.567 nan 8.230 nan 0.000 0.420 353 E N 1.609 121.448 120.200 -0.602 0.000 2.194 353 E HA 0.107 4.457 4.350 0.000 0.000 0.284 353 E C 0.619 177.046 176.600 -0.288 0.000 1.035 353 E CA -0.271 55.863 56.400 -0.443 0.000 0.836 353 E CB 1.539 31.139 29.700 -0.167 0.000 1.070 353 E HN 0.541 nan 8.360 nan 0.000 0.401 354 T N 3.197 117.551 114.554 -0.333 0.000 2.714 354 T HA -0.217 4.133 4.350 0.000 0.000 0.268 354 T C 1.259 175.620 174.700 -0.564 0.000 1.036 354 T CA 1.323 63.131 62.100 -0.486 0.000 1.148 354 T CB -0.025 68.573 68.868 -0.449 0.000 0.856 354 T HN 0.437 nan 8.240 nan 0.000 0.462 355 E N 0.998 121.027 120.200 -0.284 0.000 2.107 355 E HA 0.029 4.379 4.350 0.000 0.000 0.191 355 E C 2.372 178.958 176.600 -0.024 0.000 0.982 355 E CA 0.660 56.977 56.400 -0.138 0.000 0.809 355 E CB -0.476 29.197 29.700 -0.046 0.000 0.756 355 E HN 0.489 nan 8.360 nan 0.000 0.459 356 L N -0.163 121.053 121.223 -0.012 0.000 2.056 356 L HA -0.092 4.248 4.340 0.000 0.000 0.207 356 L C 2.486 179.412 176.870 0.093 0.000 1.078 356 L CA 0.827 55.690 54.840 0.038 0.000 0.749 356 L CB -0.504 41.570 42.059 0.025 0.000 0.901 356 L HN -0.015 nan 8.230 nan 0.000 0.433 357 F N 0.057 119.974 119.950 -0.054 0.000 2.065 357 F HA -0.321 4.206 4.527 0.000 0.000 0.298 357 F C 2.541 178.463 175.800 0.204 0.000 1.112 357 F CA 1.716 59.740 58.000 0.040 0.000 1.212 357 F CB -0.290 38.721 39.000 0.018 0.000 0.975 357 F HN -0.039 nan 8.300 nan 0.000 0.476 358 Y N 0.448 120.857 120.300 0.182 0.000 2.128 358 Y HA -0.209 4.341 4.550 0.000 0.000 0.284 358 Y C 2.346 178.249 175.900 0.004 0.000 1.154 358 Y CA 1.300 59.453 58.100 0.089 0.000 1.149 358 Y CB -1.444 37.077 38.460 0.102 0.000 0.976 358 Y HN 0.095 nan 8.280 nan 0.000 0.505 359 K N 0.093 120.598 120.400 0.176 0.000 2.616 359 K HA -0.001 4.319 4.320 0.000 0.000 0.192 359 K C 1.228 177.839 176.600 0.018 0.000 1.031 359 K CA 0.702 57.037 56.287 0.080 0.000 1.004 359 K CB -0.548 31.994 32.500 0.070 0.000 0.810 359 K HN 0.512 nan 8.250 nan 0.000 0.497 360 G N 0.995 109.777 108.800 -0.031 0.000 2.184 360 G HA2 -0.240 3.720 3.960 0.000 0.000 0.264 360 G HA3 -0.240 3.720 3.960 0.000 0.000 0.264 360 G C 0.171 175.006 174.900 -0.109 0.000 0.975 360 G CA 0.205 45.241 45.100 -0.106 0.000 0.642 360 G HN 0.331 nan 8.290 nan 0.000 0.536 361 I N 1.676 122.208 120.570 -0.063 0.000 2.406 361 I HA 0.270 4.440 4.170 0.000 0.000 0.293 361 I C 0.650 176.730 176.117 -0.061 0.000 1.101 361 I CA 0.425 61.702 61.300 -0.039 0.000 1.334 361 I CB 0.069 38.072 38.000 0.004 0.000 1.421 361 I HN 0.129 nan 8.210 nan 0.000 0.513 362 R N 7.716 128.169 120.500 -0.077 0.000 2.538 362 R HA 0.428 4.768 4.340 0.000 0.000 0.292 362 R C -2.673 173.609 176.300 -0.030 0.000 1.008 362 R CA -1.773 54.285 56.100 -0.069 0.000 0.896 362 R CB 2.469 32.661 30.300 -0.179 0.000 1.187 362 R HN 0.301 nan 8.270 nan 0.000 0.440 363 P HA 0.017 nan 4.420 nan 0.000 0.269 363 P C -0.210 177.121 177.300 0.052 0.000 1.209 363 P CA -0.154 62.972 63.100 0.043 0.000 0.776 363 P CB 0.802 32.521 31.700 0.031 0.000 0.876 364 A N 4.086 126.970 122.820 0.107 0.000 2.916 364 A HA 0.184 4.504 4.320 0.000 0.000 0.254 364 A C 0.732 178.311 177.584 -0.008 0.000 1.544 364 A CA -0.295 51.789 52.037 0.077 0.000 1.224 364 A CB -1.513 17.595 19.000 0.180 0.000 1.012 364 A HN 0.478 nan 8.150 nan 0.000 0.636 365 I N 0.949 121.522 120.570 0.006 0.000 2.441 365 I HA 0.056 4.226 4.170 0.000 0.000 0.287 365 I C 0.537 176.671 176.117 0.029 0.000 1.049 365 I CA -0.346 60.957 61.300 0.005 0.000 1.381 365 I CB 0.835 38.850 38.000 0.025 0.000 1.409 365 I HN 0.331 nan 8.210 nan 0.000 0.523 366 N N 6.671 125.406 118.700 0.059 0.000 2.645 366 N HA 0.119 4.859 4.740 0.000 0.000 0.233 366 N C 0.724 176.304 175.510 0.117 0.000 1.058 366 N CA -0.161 52.957 53.050 0.115 0.000 0.942 366 N CB 0.968 39.590 38.487 0.227 0.000 1.210 366 N HN 0.422 nan 8.380 nan 0.000 0.512 367 V N 3.862 123.826 119.914 0.085 0.000 2.227 367 V HA -0.318 3.802 4.120 0.000 0.000 0.249 367 V C 2.514 178.651 176.094 0.072 0.000 1.046 367 V CA 2.499 64.842 62.300 0.072 0.000 1.015 367 V CB -1.360 30.502 31.823 0.065 0.000 0.648 367 V HN 0.707 nan 8.190 nan 0.000 0.460 368 G N -0.706 108.135 108.800 0.068 0.000 2.550 368 G HA2 -0.276 3.684 3.960 0.000 0.000 0.222 368 G HA3 -0.276 3.684 3.960 0.000 0.000 0.222 368 G C 1.462 176.391 174.900 0.048 0.000 1.113 368 G CA 1.561 46.692 45.100 0.053 0.000 0.748 368 G HN 0.519 nan 8.290 nan 0.000 0.585 369 L N 0.254 121.519 121.223 0.070 0.000 2.554 369 L HA 0.217 4.557 4.340 0.000 0.000 0.225 369 L C 0.901 177.805 176.870 0.057 0.000 1.104 369 L CA -0.239 54.628 54.840 0.045 0.000 0.866 369 L CB 0.316 42.399 42.059 0.041 0.000 1.047 369 L HN -0.000 nan 8.230 nan 0.000 0.468 370 S N -0.107 115.646 115.700 0.089 0.000 2.545 370 S HA 0.427 4.897 4.470 0.000 0.000 0.275 370 S C -0.388 174.243 174.600 0.051 0.000 1.299 370 S CA -0.222 58.029 58.200 0.085 0.000 1.048 370 S CB 2.284 65.541 63.200 0.094 0.000 0.938 370 S HN -0.002 nan 8.310 nan 0.000 0.496 371 V N 2.418 122.357 119.914 0.040 0.000 3.078 371 V HA 0.803 4.923 4.120 0.000 0.000 0.311 371 V C -0.955 175.154 176.094 0.025 0.000 1.138 371 V CA -0.495 61.821 62.300 0.028 0.000 1.007 371 V CB 2.603 34.438 31.823 0.019 0.000 1.045 371 V HN 0.741 nan 8.190 nan 0.000 0.432 372 S N 3.770 119.482 115.700 0.020 0.000 2.745 372 S HA 0.489 4.959 4.470 0.000 0.000 0.283 372 S C 0.666 175.273 174.600 0.012 0.000 1.170 372 S CA -0.627 57.582 58.200 0.016 0.000 1.119 372 S CB 0.936 64.144 63.200 0.013 0.000 1.035 372 S HN 0.785 nan 8.310 nan 0.000 0.483 373 R N 2.167 122.675 120.500 0.012 0.000 2.115 373 R HA -0.007 4.333 4.340 0.000 0.000 0.226 373 R C 1.611 177.916 176.300 0.008 0.000 1.100 373 R CA 1.674 57.780 56.100 0.011 0.000 0.980 373 R CB -0.199 30.108 30.300 0.012 0.000 0.875 373 R HN 0.597 nan 8.270 nan 0.000 0.445 374 V N -4.513 115.405 119.914 0.007 0.000 3.502 374 V HA 0.376 4.496 4.120 0.000 0.000 0.288 374 V C 1.685 177.779 176.094 -0.000 0.000 1.461 374 V CA 0.600 62.902 62.300 0.004 0.000 1.029 374 V CB 0.524 32.349 31.823 0.003 0.000 0.843 374 V HN 0.187 nan 8.190 nan 0.000 0.438 375 G N 0.650 109.450 108.800 -0.001 0.000 2.448 375 G HA2 -0.206 3.754 3.960 0.000 0.000 0.219 375 G HA3 -0.206 3.754 3.960 0.000 0.000 0.219 375 G C 1.548 176.445 174.900 -0.005 0.000 1.127 375 G CA 1.222 46.319 45.100 -0.006 0.000 0.766 375 G HN 0.477 nan 8.290 nan 0.000 0.552 376 S N 0.809 116.509 115.700 0.000 0.000 2.378 376 S HA -0.207 4.263 4.470 0.000 0.000 0.229 376 S C 2.748 177.347 174.600 -0.002 0.000 1.052 376 S CA 1.663 59.864 58.200 0.002 0.000 1.084 376 S CB -0.463 62.740 63.200 0.005 0.000 0.950 376 S HN 0.619 nan 8.310 nan 0.000 0.440 377 A N 0.112 122.930 122.820 -0.003 0.000 2.131 377 A HA 0.192 4.512 4.320 0.000 0.000 0.220 377 A C 1.827 179.404 177.584 -0.011 0.000 1.158 377 A CA 1.616 53.651 52.037 -0.004 0.000 0.665 377 A CB -0.500 18.498 19.000 -0.003 0.000 0.795 377 A HN 0.580 nan 8.150 nan 0.000 0.460 378 A N -1.311 121.499 122.820 -0.017 0.000 2.430 378 A HA 0.325 4.645 4.320 0.000 0.000 0.243 378 A C 0.768 178.334 177.584 -0.029 0.000 1.254 378 A CA 0.000 52.019 52.037 -0.030 0.000 0.914 378 A CB -0.152 18.823 19.000 -0.041 0.000 0.998 378 A HN 0.561 nan 8.150 nan 0.000 0.515 379 Q N 1.300 121.091 119.800 -0.015 0.000 2.267 379 Q HA 0.329 4.669 4.340 0.000 0.000 0.255 379 Q C -0.530 175.467 176.000 -0.004 0.000 0.923 379 Q CA -0.356 55.443 55.803 -0.008 0.000 0.925 379 Q CB 0.615 29.354 28.738 0.001 0.000 1.195 379 Q HN 0.391 nan 8.270 nan 0.000 0.417 380 T N 3.132 117.685 114.554 -0.002 0.000 2.939 380 T HA -0.066 4.284 4.350 0.000 0.000 0.319 380 T C 0.914 175.620 174.700 0.010 0.000 1.082 380 T CA -0.175 61.928 62.100 0.003 0.000 1.133 380 T CB 0.552 69.427 68.868 0.011 0.000 1.019 380 T HN 0.673 nan 8.240 nan 0.000 0.548 381 R N 1.892 122.398 120.500 0.010 0.000 2.148 381 R HA 0.030 4.370 4.340 0.000 0.000 0.227 381 R C 2.322 178.635 176.300 0.022 0.000 1.103 381 R CA 1.629 57.737 56.100 0.014 0.000 0.983 381 R CB -1.031 29.276 30.300 0.012 0.000 0.874 381 R HN 0.762 nan 8.270 nan 0.000 0.451 382 A N 0.082 122.915 122.820 0.021 0.000 1.969 382 A HA -0.097 4.223 4.320 0.000 0.000 0.218 382 A C 2.045 179.654 177.584 0.041 0.000 1.169 382 A CA 1.378 53.432 52.037 0.028 0.000 0.635 382 A CB -0.388 18.622 19.000 0.017 0.000 0.810 382 A HN 0.287 nan 8.150 nan 0.000 0.445 383 M N -0.671 118.949 119.600 0.034 0.000 2.099 383 M HA -0.068 4.412 4.480 0.000 0.000 0.262 383 M C 1.967 178.290 176.300 0.038 0.000 1.067 383 M CA 1.678 57.001 55.300 0.038 0.000 1.124 383 M CB -0.976 31.641 32.600 0.029 0.000 1.353 383 M HN 0.313 nan 8.290 nan 0.000 0.410 384 K N 0.150 120.568 120.400 0.030 0.000 2.127 384 K HA -0.207 4.113 4.320 0.000 0.000 0.208 384 K C 1.935 178.555 176.600 0.033 0.000 1.047 384 K CA 1.583 57.886 56.287 0.027 0.000 0.927 384 K CB -0.189 32.324 32.500 0.021 0.000 0.716 384 K HN 0.465 nan 8.250 nan 0.000 0.450 385 Q N -0.645 119.181 119.800 0.044 0.000 2.224 385 Q HA -0.103 4.237 4.340 0.000 0.000 0.203 385 Q C 1.916 177.956 176.000 0.066 0.000 0.970 385 Q CA 1.517 57.355 55.803 0.057 0.000 0.865 385 Q CB 0.224 29.007 28.738 0.074 0.000 0.922 385 Q HN 0.398 nan 8.270 nan 0.000 0.445 386 V N -5.157 114.801 119.914 0.072 0.000 3.359 386 V HA 0.359 4.479 4.120 0.000 0.000 0.245 386 V C 1.829 177.946 176.094 0.038 0.000 1.247 386 V CA 0.636 62.976 62.300 0.066 0.000 1.145 386 V CB -0.108 31.790 31.823 0.125 0.000 0.906 386 V HN 0.107 nan 8.190 nan 0.000 0.464 387 A N 1.510 124.354 122.820 0.039 0.000 1.968 387 A HA 0.216 4.536 4.320 0.000 0.000 0.217 387 A C 2.238 179.834 177.584 0.020 0.000 1.169 387 A CA 1.687 53.741 52.037 0.028 0.000 0.638 387 A CB -1.234 17.783 19.000 0.029 0.000 0.812 387 A HN 0.738 nan 8.150 nan 0.000 0.446 388 G N -0.080 108.732 108.800 0.019 0.000 2.421 388 G HA2 -0.189 3.771 3.960 0.000 0.000 0.216 388 G HA3 -0.189 3.771 3.960 0.000 0.000 0.216 388 G C 1.676 176.581 174.900 0.009 0.000 1.171 388 G CA 1.874 46.983 45.100 0.014 0.000 0.775 388 G HN 0.580 nan 8.290 nan 0.000 0.543 389 T N -0.656 113.900 114.554 0.004 0.000 2.951 389 T HA -0.004 4.346 4.350 0.000 0.000 0.268 389 T C 2.267 176.961 174.700 -0.011 0.000 1.073 389 T CA 1.242 63.338 62.100 -0.007 0.000 1.134 389 T CB -0.134 68.722 68.868 -0.019 0.000 0.884 389 T HN 0.259 nan 8.240 nan 0.000 0.479 390 M N 1.047 120.644 119.600 -0.006 0.000 2.077 390 M HA -0.036 4.444 4.480 0.000 0.000 0.261 390 M C 2.471 178.772 176.300 0.001 0.000 1.070 390 M CA 1.736 57.030 55.300 -0.009 0.000 1.125 390 M CB -0.222 32.377 32.600 -0.002 0.000 1.339 390 M HN 0.149 nan 8.290 nan 0.000 0.409 391 K N 0.499 120.906 120.400 0.011 0.000 2.032 391 K HA -0.179 4.141 4.320 0.000 0.000 0.209 391 K C 1.876 178.489 176.600 0.022 0.000 1.048 391 K CA 1.869 58.167 56.287 0.020 0.000 0.927 391 K CB -0.372 32.140 32.500 0.021 0.000 0.712 391 K HN 0.463 nan 8.250 nan 0.000 0.441 392 L N 0.624 121.856 121.223 0.014 0.000 1.990 392 L HA -0.245 4.095 4.340 0.000 0.000 0.213 392 L C 2.271 179.153 176.870 0.020 0.000 1.072 392 L CA 1.816 56.665 54.840 0.014 0.000 0.755 392 L CB -0.701 41.362 42.059 0.006 0.000 0.889 392 L HN 0.305 nan 8.230 nan 0.000 0.432 393 E N 0.084 120.291 120.200 0.012 0.000 2.265 393 E HA -0.168 4.182 4.350 0.000 0.000 0.196 393 E C 2.320 178.949 176.600 0.049 0.000 0.996 393 E CA 0.717 57.127 56.400 0.015 0.000 0.832 393 E CB -0.070 29.621 29.700 -0.015 0.000 0.756 393 E HN 0.477 nan 8.360 nan 0.000 0.491 394 L N 0.052 121.305 121.223 0.051 0.000 2.240 394 L HA -0.046 4.294 4.340 0.000 0.000 0.211 394 L C 2.379 179.328 176.870 0.133 0.000 1.106 394 L CA 0.520 55.419 54.840 0.098 0.000 0.793 394 L CB -0.162 41.937 42.059 0.066 0.000 0.927 394 L HN 0.149 nan 8.230 nan 0.000 0.446 395 A N -0.362 122.506 122.820 0.079 0.000 1.872 395 A HA -0.203 4.117 4.320 0.000 0.000 0.214 395 A C 2.173 179.790 177.584 0.055 0.000 1.187 395 A CA 1.123 53.195 52.037 0.058 0.000 0.614 395 A CB -0.341 18.680 19.000 0.035 0.000 0.826 395 A HN 0.424 nan 8.150 nan 0.000 0.442 396 Q N -1.659 118.178 119.800 0.062 0.000 2.061 396 Q HA -0.254 4.086 4.340 0.000 0.000 0.204 396 Q C 2.062 178.108 176.000 0.076 0.000 0.984 396 Q CA 1.988 57.823 55.803 0.054 0.000 0.846 396 Q CB -0.501 28.267 28.738 0.050 0.000 0.902 396 Q HN 0.822 nan 8.270 nan 0.000 0.421 397 Y N 1.543 121.837 120.300 -0.009 0.000 2.165 397 Y HA -0.257 4.293 4.550 0.000 0.000 0.286 397 Y C 2.461 178.359 175.900 -0.003 0.000 1.155 397 Y CA 1.849 59.944 58.100 -0.007 0.000 1.164 397 Y CB -0.176 38.279 38.460 -0.008 0.000 0.978 397 Y HN -0.075 nan 8.280 nan 0.000 0.513 398 R N 0.501 120.959 120.500 -0.070 0.000 2.091 398 R HA -0.199 4.141 4.340 0.000 0.000 0.238 398 R C 2.113 178.323 176.300 -0.151 0.000 1.136 398 R CA 2.157 58.170 56.100 -0.145 0.000 0.959 398 R CB -0.293 30.006 30.300 -0.002 0.000 0.856 398 R HN 0.513 nan 8.270 nan 0.000 0.437 399 E N -0.560 119.589 120.200 -0.084 0.000 2.209 399 E HA -0.159 4.191 4.350 0.000 0.000 0.196 399 E C 1.692 178.236 176.600 -0.093 0.000 0.993 399 E CA 1.381 57.741 56.400 -0.067 0.000 0.819 399 E CB 0.207 29.887 29.700 -0.033 0.000 0.745 399 E HN 0.231 nan 8.360 nan 0.000 0.477 400 V N 1.142 120.973 119.914 -0.139 0.000 2.523 400 V HA 0.088 4.208 4.120 0.000 0.000 0.226 400 V C 1.324 177.303 176.094 -0.193 0.000 1.107 400 V CA 0.585 62.804 62.300 -0.135 0.000 1.121 400 V CB -0.844 30.918 31.823 -0.101 0.000 0.753 400 V HN 0.232 nan 8.190 nan 0.000 0.497 411 D N 0.128 120.527 120.400 -0.002 0.000 4.531 411 D HA -0.047 4.593 4.640 0.000 0.000 0.229 411 D C 0.634 176.932 176.300 -0.002 0.000 1.248 411 D CA 0.813 54.812 54.000 -0.003 0.000 1.039 411 D CB 0.000 40.798 40.800 -0.003 0.000 0.609 411 D HN 0.918 nan 8.370 nan 0.000 0.283 412 A N 3.765 126.582 122.820 -0.004 0.000 1.940 412 A HA -0.003 4.317 4.320 0.000 0.000 0.221 412 A C 2.467 180.048 177.584 -0.005 0.000 1.190 412 A CA 3.428 55.461 52.037 -0.006 0.000 0.647 412 A CB -0.945 18.050 19.000 -0.009 0.000 0.821 412 A HN 1.298 nan 8.150 nan 0.000 0.457 413 A N -0.433 122.384 122.820 -0.005 0.000 1.842 413 A HA -0.172 4.148 4.320 0.000 0.000 0.217 413 A C 2.471 180.056 177.584 0.002 0.000 1.206 413 A CA 3.167 55.202 52.037 -0.004 0.000 0.630 413 A CB -1.700 17.298 19.000 -0.004 0.000 0.839 413 A HN 0.895 nan 8.150 nan 0.000 0.447 414 T N -1.721 112.835 114.554 0.003 0.000 2.833 414 T HA -0.207 4.143 4.350 0.000 0.000 0.269 414 T C 1.855 176.567 174.700 0.021 0.000 1.054 414 T CA 1.637 63.743 62.100 0.010 0.000 1.135 414 T CB -0.461 68.408 68.868 0.001 0.000 0.869 414 T HN 0.606 nan 8.240 nan 0.000 0.466 415 Q N 0.778 120.586 119.800 0.014 0.000 2.050 415 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 415 Q C 2.591 178.601 176.000 0.018 0.000 0.980 415 Q CA 1.603 57.417 55.803 0.017 0.000 0.840 415 Q CB -0.267 28.474 28.738 0.006 0.000 0.898 415 Q HN 0.669 nan 8.270 nan 0.000 0.424 416 Q N 0.648 120.451 119.800 0.005 0.000 2.096 416 Q HA -0.190 4.150 4.340 0.000 0.000 0.204 416 Q C 2.060 178.066 176.000 0.009 0.000 0.982 416 Q CA 1.148 56.948 55.803 -0.006 0.000 0.850 416 Q CB -0.044 28.684 28.738 -0.016 0.000 0.901 416 Q HN 0.390 nan 8.270 nan 0.000 0.422 417 L N 0.092 121.336 121.223 0.034 0.000 2.046 417 L HA -0.198 4.142 4.340 0.000 0.000 0.208 417 L C 2.401 179.367 176.870 0.159 0.000 1.077 417 L CA 0.828 55.712 54.840 0.074 0.000 0.747 417 L CB -0.485 41.617 42.059 0.072 0.000 0.896 417 L HN 0.267 nan 8.230 nan 0.000 0.432 418 L N -0.880 120.445 121.223 0.171 0.000 2.141 418 L HA -0.143 4.197 4.340 0.000 0.000 0.209 418 L C 2.731 179.669 176.870 0.114 0.000 1.094 418 L CA 0.711 55.724 54.840 0.289 0.000 0.763 418 L CB -0.458 41.708 42.059 0.179 0.000 0.908 418 L HN 0.157 nan 8.230 nan 0.000 0.437 419 S N -0.644 115.072 115.700 0.027 0.000 2.356 419 S HA -0.138 4.332 4.470 0.000 0.000 0.223 419 S C 2.127 176.662 174.600 -0.108 0.000 1.032 419 S CA 0.956 59.133 58.200 -0.038 0.000 1.005 419 S CB -0.131 63.044 63.200 -0.042 0.000 0.867 419 S HN 0.301 nan 8.310 nan 0.000 0.449 420 R N 0.904 121.338 120.500 -0.110 0.000 2.082 420 R HA -0.067 4.273 4.340 0.000 0.000 0.234 420 R C 2.607 178.716 176.300 -0.319 0.000 1.136 420 R CA 1.606 57.609 56.100 -0.161 0.000 0.935 420 R CB -1.642 28.596 30.300 -0.103 0.000 0.842 420 R HN 0.498 nan 8.270 nan 0.000 0.430 421 G N 1.203 109.647 108.800 -0.593 0.000 2.649 421 G HA2 -0.323 3.637 3.960 0.000 0.000 0.220 421 G HA3 -0.323 3.637 3.960 0.000 0.000 0.220 421 G C 1.584 175.952 174.900 -0.888 0.000 1.189 421 G CA 2.499 46.727 45.100 -1.454 0.000 0.777 421 G HN 0.308 nan 8.290 nan 0.000 0.602 422 V N -0.501 119.067 119.914 -0.576 0.000 2.295 422 V HA -0.155 3.965 4.120 0.000 0.000 0.246 422 V C 2.855 178.837 176.094 -0.187 0.000 1.049 422 V CA 2.050 64.196 62.300 -0.256 0.000 1.024 422 V CB -0.750 31.007 31.823 -0.110 0.000 0.648 422 V HN 0.188 nan 8.190 nan 0.000 0.447 423 R N 0.907 121.297 120.500 -0.184 0.000 2.088 423 R HA 0.013 4.353 4.340 0.000 0.000 0.232 423 R C 2.429 178.654 176.300 -0.124 0.000 1.136 423 R CA 1.767 57.785 56.100 -0.137 0.000 0.926 423 R CB -1.386 28.830 30.300 -0.141 0.000 0.837 423 R HN 0.505 nan 8.270 nan 0.000 0.429 424 L N 0.593 121.726 121.223 -0.150 0.000 2.079 424 L HA -0.177 4.163 4.340 0.000 0.000 0.210 424 L C 2.379 179.193 176.870 -0.093 0.000 1.081 424 L CA 1.636 56.408 54.840 -0.113 0.000 0.752 424 L CB -0.821 41.164 42.059 -0.123 0.000 0.896 424 L HN 0.238 nan 8.230 nan 0.000 0.433 425 T N -1.090 113.386 114.554 -0.129 0.000 2.821 425 T HA -0.129 4.221 4.350 0.000 0.000 0.267 425 T C 1.785 176.459 174.700 -0.044 0.000 1.046 425 T CA 1.008 63.062 62.100 -0.078 0.000 1.139 425 T CB -0.074 68.740 68.868 -0.089 0.000 0.871 425 T HN 0.283 nan 8.240 nan 0.000 0.454 426 E N 1.103 121.274 120.200 -0.049 0.000 2.106 426 E HA 0.054 4.404 4.350 0.000 0.000 0.192 426 E C 2.312 178.908 176.600 -0.007 0.000 0.984 426 E CA 0.458 56.845 56.400 -0.022 0.000 0.806 426 E CB -0.421 29.267 29.700 -0.019 0.000 0.750 426 E HN 0.435 nan 8.360 nan 0.000 0.458 427 L N 0.415 121.630 121.223 -0.014 0.000 2.046 427 L HA -0.153 4.187 4.340 0.000 0.000 0.208 427 L C 2.403 179.280 176.870 0.011 0.000 1.077 427 L CA 0.940 55.785 54.840 0.007 0.000 0.747 427 L CB -0.429 41.631 42.059 0.003 0.000 0.896 427 L HN 0.150 nan 8.230 nan 0.000 0.432 428 L N -0.566 120.658 121.223 0.000 0.000 2.362 428 L HA -0.112 4.228 4.340 0.000 0.000 0.219 428 L C 1.023 177.896 176.870 0.004 0.000 1.134 428 L CA 0.538 55.382 54.840 0.005 0.000 0.807 428 L CB -0.476 41.586 42.059 0.004 0.000 0.927 428 L HN 0.166 nan 8.230 nan 0.000 0.447 429 K N 1.483 121.883 120.400 -0.000 0.000 2.401 429 K HA 0.160 4.480 4.320 0.000 0.000 0.278 429 K C -0.119 176.478 176.600 -0.005 0.000 1.018 429 K CA 0.296 56.579 56.287 -0.007 0.000 0.981 429 K CB 0.778 33.273 32.500 -0.010 0.000 0.933 429 K HN 0.050 nan 8.250 nan 0.000 0.477 430 Q N 0.812 120.603 119.800 -0.015 0.000 2.320 430 Q HA 0.325 4.665 4.340 0.000 0.000 0.272 430 Q C -0.748 175.229 176.000 -0.037 0.000 1.023 430 Q CA -0.592 55.201 55.803 -0.016 0.000 0.855 430 Q CB 1.795 30.528 28.738 -0.009 0.000 1.367 430 Q HN 0.787 nan 8.270 nan 0.000 0.406 431 G N 1.618 110.395 108.800 -0.039 0.000 2.588 431 G HA2 0.250 4.210 3.960 0.000 0.000 0.278 431 G HA3 0.250 4.210 3.960 0.000 0.000 0.278 431 G C -0.594 174.238 174.900 -0.113 0.000 1.307 431 G CA -0.238 44.824 45.100 -0.065 0.000 1.016 431 G HN 0.616 nan 8.290 nan 0.000 0.503 432 Q N -1.650 118.023 119.800 -0.211 0.000 2.221 432 Q HA 0.363 4.703 4.340 0.000 0.000 0.242 432 Q C -0.666 175.132 176.000 -0.337 0.000 0.940 432 Q CA -0.523 55.004 55.803 -0.460 0.000 0.896 432 Q CB 0.994 29.140 28.738 -0.988 0.000 1.226 432 Q HN 0.526 nan 8.270 nan 0.000 0.463 433 Y N -1.689 118.615 120.300 0.006 0.000 4.798 433 Y HA -0.246 4.304 4.550 0.000 0.000 0.237 433 Y C -0.149 175.749 175.900 -0.003 0.000 1.017 433 Y CA 0.740 58.839 58.100 -0.001 0.000 2.010 433 Y CB -2.352 36.104 38.460 -0.006 0.000 1.582 433 Y HN 0.386 nan 8.280 nan 0.000 0.621 434 S N -0.491 115.257 115.700 0.080 0.000 2.204 434 S HA 0.405 4.875 4.470 0.000 0.000 0.178 434 S C -2.590 172.023 174.600 0.022 0.000 1.493 434 S CA -1.030 57.199 58.200 0.049 0.000 1.266 434 S CB 1.072 64.293 63.200 0.035 0.000 1.232 434 S HN -0.053 nan 8.310 nan 0.000 0.406 435 P HA 0.103 nan 4.420 nan 0.000 0.263 435 P C -0.384 176.915 177.300 -0.001 0.000 1.195 435 P CA 0.396 63.508 63.100 0.019 0.000 0.762 435 P CB 0.217 31.938 31.700 0.035 0.000 0.799 436 M N 2.359 121.957 119.600 -0.002 0.000 2.233 436 M HA 0.438 4.918 4.480 0.000 0.000 0.355 436 M C 0.728 177.016 176.300 -0.021 0.000 1.191 436 M CA -0.649 54.642 55.300 -0.016 0.000 1.101 436 M CB 1.298 33.894 32.600 -0.006 0.000 1.592 436 M HN 0.313 nan 8.290 nan 0.000 0.461 437 A N 2.075 124.865 122.820 -0.050 0.000 2.425 437 A HA 0.147 4.467 4.320 0.000 0.000 0.242 437 A C 0.991 178.564 177.584 -0.019 0.000 1.077 437 A CA -0.393 51.608 52.037 -0.060 0.000 0.781 437 A CB 0.102 19.042 19.000 -0.100 0.000 1.020 437 A HN 0.975 nan 8.150 nan 0.000 0.494 438 I N 0.627 121.203 120.570 0.010 0.000 2.264 438 I HA -0.227 3.943 4.170 0.000 0.000 0.248 438 I C 2.468 178.587 176.117 0.005 0.000 1.111 438 I CA 2.449 63.764 61.300 0.025 0.000 1.382 438 I CB -0.285 37.745 38.000 0.051 0.000 1.060 438 I HN 0.843 nan 8.210 nan 0.000 0.418 439 E N 0.589 120.779 120.200 -0.016 0.000 2.150 439 E HA -0.264 4.086 4.350 0.000 0.000 0.193 439 E C 1.723 178.297 176.600 -0.042 0.000 0.985 439 E CA 1.665 58.046 56.400 -0.033 0.000 0.814 439 E CB -0.801 28.869 29.700 -0.052 0.000 0.752 439 E HN 0.677 nan 8.360 nan 0.000 0.466 440 E N 0.715 120.886 120.200 -0.048 0.000 2.208 440 E HA -0.112 4.238 4.350 0.000 0.000 0.193 440 E C 2.216 178.813 176.600 -0.006 0.000 0.988 440 E CA 0.735 57.103 56.400 -0.053 0.000 0.828 440 E CB -0.043 29.616 29.700 -0.069 0.000 0.763 440 E HN 0.412 nan 8.360 nan 0.000 0.478 441 Q N 0.400 120.206 119.800 0.010 0.000 2.083 441 Q HA -0.107 4.233 4.340 0.000 0.000 0.198 441 Q C 2.609 178.644 176.000 0.060 0.000 0.969 441 Q CA 1.612 57.436 55.803 0.035 0.000 0.838 441 Q CB -0.072 28.685 28.738 0.032 0.000 0.900 441 Q HN 0.314 nan 8.270 nan 0.000 0.436 442 V N -1.791 118.153 119.914 0.050 0.000 2.515 442 V HA -0.107 4.013 4.120 0.000 0.000 0.250 442 V C 2.125 178.291 176.094 0.120 0.000 1.058 442 V CA 1.506 63.853 62.300 0.079 0.000 1.064 442 V CB -1.102 30.755 31.823 0.057 0.000 0.675 442 V HN 0.258 nan 8.190 nan 0.000 0.461 443 A N 1.752 124.616 122.820 0.074 0.000 1.851 443 A HA -0.125 4.195 4.320 0.000 0.000 0.216 443 A C 2.532 180.309 177.584 0.322 0.000 1.195 443 A CA 3.125 55.232 52.037 0.116 0.000 0.622 443 A CB -1.209 17.786 19.000 -0.008 0.000 0.831 443 A HN 1.229 nan 8.150 nan 0.000 0.444 444 V N -1.300 118.788 119.914 0.291 0.000 2.343 444 V HA -0.224 3.896 4.120 0.000 0.000 0.247 444 V C 2.210 178.418 176.094 0.189 0.000 1.051 444 V CA 2.111 64.598 62.300 0.311 0.000 1.036 444 V CB -0.931 31.024 31.823 0.220 0.000 0.654 444 V HN 0.505 nan 8.190 nan 0.000 0.451 445 I N -0.823 119.839 120.570 0.154 0.000 2.394 445 I HA -0.173 3.997 4.170 0.000 0.000 0.251 445 I C 2.574 178.769 176.117 0.130 0.000 1.136 445 I CA 2.294 63.660 61.300 0.109 0.000 1.425 445 I CB -0.563 37.489 38.000 0.087 0.000 1.079 445 I HN 0.445 nan 8.210 nan 0.000 0.425 446 Y N 2.121 122.455 120.300 0.058 0.000 2.181 446 Y HA -0.301 4.249 4.550 0.000 0.000 0.288 446 Y C 2.612 178.560 175.900 0.079 0.000 1.146 446 Y CA 1.509 59.649 58.100 0.067 0.000 1.164 446 Y CB -0.346 38.160 38.460 0.077 0.000 0.982 446 Y HN 0.118 nan 8.280 nan 0.000 0.515 447 A N 0.366 123.332 122.820 0.243 0.000 1.884 447 A HA -0.248 4.072 4.320 0.000 0.000 0.219 447 A C 2.504 180.110 177.584 0.038 0.000 1.197 447 A CA 2.337 54.421 52.037 0.079 0.000 0.637 447 A CB -1.820 17.070 19.000 -0.184 0.000 0.827 447 A HN 0.622 nan 8.150 nan 0.000 0.450 448 G N -1.007 107.780 108.800 -0.023 0.000 2.453 448 G HA2 -0.098 3.862 3.960 0.000 0.000 0.215 448 G HA3 -0.098 3.862 3.960 0.000 0.000 0.215 448 G C 1.500 176.339 174.900 -0.101 0.000 1.201 448 G CA 1.338 46.393 45.100 -0.075 0.000 0.784 448 G HN 0.395 nan 8.290 nan 0.000 0.545 449 V N 0.793 120.651 119.914 -0.094 0.000 2.515 449 V HA -0.057 4.063 4.120 0.000 0.000 0.250 449 V C 2.880 178.863 176.094 -0.185 0.000 1.058 449 V CA 1.295 63.523 62.300 -0.120 0.000 1.064 449 V CB -0.388 31.381 31.823 -0.089 0.000 0.675 449 V HN 0.171 nan 8.190 nan 0.000 0.461 450 R N 0.080 120.429 120.500 -0.253 0.000 2.189 450 R HA 0.080 4.420 4.340 0.000 0.000 0.218 450 R C 1.854 177.911 176.300 -0.404 0.000 1.074 450 R CA 0.951 56.852 56.100 -0.332 0.000 0.991 450 R CB -0.422 29.653 30.300 -0.376 0.000 0.883 450 R HN 0.630 nan 8.270 nan 0.000 0.457 451 G N -0.682 107.912 108.800 -0.344 0.000 2.192 451 G HA2 -0.247 3.713 3.960 0.000 0.000 0.193 451 G HA3 -0.247 3.713 3.960 0.000 0.000 0.193 451 G C 0.220 174.870 174.900 -0.416 0.000 0.999 451 G CA -0.175 44.699 45.100 -0.377 0.000 0.659 451 G HN 0.330 nan 8.290 nan 0.000 0.503 452 Y N 0.724 120.911 120.300 -0.190 0.000 2.621 452 Y HA 0.468 5.018 4.550 0.000 0.000 0.330 452 Y C 2.134 177.811 175.900 -0.371 0.000 1.219 452 Y CA 0.866 58.835 58.100 -0.219 0.000 1.286 452 Y CB -0.068 38.291 38.460 -0.168 0.000 1.053 452 Y HN 0.354 nan 8.280 nan 0.000 0.498 453 L N -1.781 119.292 121.223 -0.249 0.000 3.128 453 L HA 0.085 4.425 4.340 0.000 0.000 0.277 453 L C 1.274 178.019 176.870 -0.208 0.000 1.171 453 L CA 0.035 54.685 54.840 -0.316 0.000 1.008 453 L CB 0.323 42.203 42.059 -0.299 0.000 1.442 453 L HN 0.078 nan 8.230 nan 0.000 0.584 454 D N 1.482 121.777 120.400 -0.175 0.000 2.123 454 D HA -0.214 4.426 4.640 0.000 0.000 0.196 454 D C 1.615 177.854 176.300 -0.101 0.000 0.992 454 D CA 1.353 55.274 54.000 -0.132 0.000 0.833 454 D CB 0.224 40.945 40.800 -0.132 0.000 0.954 454 D HN 0.155 nan 8.370 nan 0.000 0.455 455 K N 0.168 120.510 120.400 -0.097 0.000 2.546 455 K HA 0.039 4.359 4.320 0.000 0.000 0.198 455 K C -0.232 176.341 176.600 -0.045 0.000 1.028 455 K CA -0.236 56.015 56.287 -0.060 0.000 1.150 455 K CB -0.024 32.447 32.500 -0.047 0.000 0.876 455 K HN -0.054 nan 8.250 nan 0.000 0.508 456 L N 1.241 122.423 121.223 -0.069 0.000 2.346 456 L HA 0.256 4.596 4.340 0.000 0.000 0.274 456 L C -0.769 176.089 176.870 -0.020 0.000 1.007 456 L CA -0.434 54.382 54.840 -0.039 0.000 0.818 456 L CB 1.825 43.809 42.059 -0.124 0.000 1.284 456 L HN 0.019 nan 8.230 nan 0.000 0.424 457 E N 5.754 125.969 120.200 0.025 0.000 2.417 457 E HA 0.025 4.375 4.350 0.000 0.000 0.261 457 E C -1.657 174.956 176.600 0.021 0.000 1.000 457 E CA -1.189 55.226 56.400 0.024 0.000 0.919 457 E CB 0.509 30.235 29.700 0.043 0.000 0.955 457 E HN 0.461 nan 8.360 nan 0.000 0.455 458 P HA -0.264 nan 4.420 nan 0.000 0.219 458 P C 0.825 178.136 177.300 0.019 0.000 1.158 458 P CA 1.501 64.598 63.100 -0.005 0.000 0.895 458 P CB 0.148 31.843 31.700 -0.007 0.000 0.792 459 S N -1.357 114.364 115.700 0.035 0.000 2.547 459 S HA -0.025 4.445 4.470 0.000 0.000 0.235 459 S C 1.484 176.136 174.600 0.087 0.000 0.980 459 S CA 0.814 59.043 58.200 0.050 0.000 0.941 459 S CB -0.454 62.772 63.200 0.043 0.000 0.763 459 S HN 0.208 nan 8.310 nan 0.000 0.532 460 K N 0.857 121.326 120.400 0.113 0.000 2.352 460 K HA 0.287 4.607 4.320 0.000 0.000 0.194 460 K C 1.612 178.332 176.600 0.200 0.000 1.038 460 K CA -0.013 56.402 56.287 0.213 0.000 1.023 460 K CB -0.156 32.523 32.500 0.297 0.000 0.840 460 K HN 0.318 nan 8.250 nan 0.000 0.519 461 I N 1.411 122.040 120.570 0.097 0.000 2.151 461 I HA -0.259 3.911 4.170 0.000 0.000 0.243 461 I C 1.910 178.098 176.117 0.119 0.000 1.080 461 I CA 1.656 62.992 61.300 0.059 0.000 1.339 461 I CB -1.261 36.736 38.000 -0.005 0.000 1.039 461 I HN 0.094 nan 8.210 nan 0.000 0.409 462 T N 0.271 114.886 114.554 0.101 0.000 2.857 462 T HA -0.150 4.200 4.350 0.000 0.000 0.266 462 T C 2.001 176.775 174.700 0.125 0.000 1.048 462 T CA 1.057 63.214 62.100 0.095 0.000 1.139 462 T CB -0.009 68.897 68.868 0.063 0.000 0.874 462 T HN 0.269 nan 8.240 nan 0.000 0.455 463 K N 0.086 120.589 120.400 0.170 0.000 2.026 463 K HA -0.079 4.241 4.320 0.000 0.000 0.208 463 K C 2.025 178.760 176.600 0.224 0.000 1.048 463 K CA 1.199 57.623 56.287 0.228 0.000 0.929 463 K CB -0.287 32.407 32.500 0.323 0.000 0.713 463 K HN 0.311 nan 8.250 nan 0.000 0.439 464 F N 2.126 122.057 119.950 -0.031 0.000 2.095 464 F HA -0.240 4.287 4.527 0.000 0.000 0.298 464 F C 2.322 178.071 175.800 -0.085 0.000 1.104 464 F CA 2.161 59.947 58.000 -0.355 0.000 1.232 464 F CB -0.284 38.402 39.000 -0.523 0.000 0.987 464 F HN 0.186 nan 8.300 nan 0.000 0.475 465 E N 0.298 120.587 120.200 0.148 0.000 2.049 465 E HA -0.319 4.031 4.350 0.000 0.000 0.198 465 E C 1.871 178.482 176.600 0.019 0.000 1.007 465 E CA 2.175 58.646 56.400 0.118 0.000 0.809 465 E CB -0.489 29.289 29.700 0.131 0.000 0.749 465 E HN 0.648 nan 8.360 nan 0.000 0.450 466 N N -0.183 118.530 118.700 0.023 0.000 2.223 466 N HA -0.158 4.582 4.740 0.000 0.000 0.185 466 N C 1.720 177.216 175.510 -0.024 0.000 1.016 466 N CA 0.954 54.009 53.050 0.008 0.000 0.863 466 N CB -0.137 38.377 38.487 0.044 0.000 0.983 466 N HN 0.235 nan 8.380 nan 0.000 0.429 467 A N 0.369 123.177 122.820 -0.020 0.000 1.975 467 A HA -0.013 4.307 4.320 0.000 0.000 0.215 467 A C 1.859 179.280 177.584 -0.273 0.000 1.170 467 A CA 0.418 52.478 52.037 0.038 0.000 0.656 467 A CB -0.587 18.620 19.000 0.344 0.000 0.821 467 A HN 0.368 nan 8.150 nan 0.000 0.449 468 F N 0.224 119.674 119.950 -0.833 0.000 2.146 468 F HA -0.076 4.451 4.527 0.000 0.000 0.298 468 F C 1.718 177.172 175.800 -0.577 0.000 1.096 468 F CA 1.409 58.645 58.000 -1.273 0.000 1.275 468 F CB -0.295 37.887 39.000 -1.363 0.000 1.008 468 F HN 0.172 nan 8.300 nan 0.000 0.480 469 L N 0.855 121.817 121.223 -0.434 0.000 1.970 469 L HA -0.228 4.112 4.340 0.000 0.000 0.212 469 L C 2.920 179.591 176.870 -0.331 0.000 1.071 469 L CA 2.434 57.047 54.840 -0.378 0.000 0.751 469 L CB -1.373 40.591 42.059 -0.158 0.000 0.889 469 L HN 0.413 nan 8.230 nan 0.000 0.432 470 S N -1.847 113.730 115.700 -0.205 0.000 2.374 470 S HA -0.350 4.120 4.470 0.000 0.000 0.227 470 S C 2.149 176.672 174.600 -0.128 0.000 1.037 470 S CA 1.591 59.714 58.200 -0.127 0.000 1.024 470 S CB -1.252 61.918 63.200 -0.051 0.000 0.861 470 S HN 0.720 nan 8.310 nan 0.000 0.456 471 H N 1.609 120.502 119.070 -0.296 0.000 2.319 471 H HA -0.108 4.448 4.556 0.000 0.000 0.299 471 H C 2.372 177.552 175.328 -0.247 0.000 1.092 471 H CA 2.316 58.211 56.048 -0.255 0.000 1.302 471 H CB -0.162 29.367 29.762 -0.388 0.000 1.373 471 H HN 0.483 nan 8.280 nan 0.000 0.497 472 V N -0.720 118.851 119.914 -0.572 0.000 2.379 472 V HA -0.152 3.968 4.120 0.000 0.000 0.245 472 V C 2.583 178.499 176.094 -0.296 0.000 1.044 472 V CA 1.576 63.580 62.300 -0.494 0.000 1.036 472 V CB -0.926 30.497 31.823 -0.667 0.000 0.664 472 V HN 0.340 nan 8.190 nan 0.000 0.453 473 I N 1.038 121.445 120.570 -0.271 0.000 2.315 473 I HA -0.232 3.938 4.170 0.000 0.000 0.251 473 I C 2.768 178.795 176.117 -0.149 0.000 1.125 473 I CA 2.110 63.301 61.300 -0.183 0.000 1.392 473 I CB -0.290 37.616 38.000 -0.155 0.000 1.065 473 I HN 0.536 nan 8.210 nan 0.000 0.424 474 S N -0.229 115.378 115.700 -0.155 0.000 2.433 474 S HA -0.039 4.431 4.470 0.000 0.000 0.216 474 S C 1.760 176.257 174.600 -0.171 0.000 1.031 474 S CA 0.267 58.391 58.200 -0.127 0.000 0.931 474 S CB 0.068 63.219 63.200 -0.082 0.000 0.875 474 S HN 0.274 nan 8.310 nan 0.000 0.553 475 Q N 0.275 119.931 119.800 -0.240 0.000 2.482 475 Q HA 0.115 4.455 4.340 0.000 0.000 0.209 475 Q C -0.169 175.413 176.000 -0.696 0.000 0.961 475 Q CA 0.724 56.288 55.803 -0.399 0.000 0.945 475 Q CB -0.097 28.415 28.738 -0.376 0.000 1.012 475 Q HN 0.733 nan 8.270 nan 0.000 0.515 476 H N -1.201 117.722 119.070 -0.244 0.000 3.038 476 H HA 0.171 4.727 4.556 0.000 0.000 0.238 476 H C 0.976 176.192 175.328 -0.187 0.000 1.246 476 H CA -0.173 55.741 56.048 -0.223 0.000 0.966 476 H CB 0.724 30.306 29.762 -0.300 0.000 2.394 476 H HN -0.063 nan 8.280 nan 0.000 0.633 477 Q N 0.677 120.423 119.800 -0.089 0.000 2.152 477 Q HA -0.161 4.179 4.340 0.000 0.000 0.206 477 Q C 2.323 178.285 176.000 -0.063 0.000 0.985 477 Q CA 1.461 57.214 55.803 -0.084 0.000 0.863 477 Q CB -0.051 28.636 28.738 -0.085 0.000 0.904 477 Q HN 0.635 nan 8.270 nan 0.000 0.422 478 A N 1.112 123.903 122.820 -0.049 0.000 1.883 478 A HA -0.178 4.142 4.320 0.000 0.000 0.217 478 A C 2.061 179.623 177.584 -0.037 0.000 1.186 478 A CA 1.282 53.297 52.037 -0.037 0.000 0.624 478 A CB -0.754 18.230 19.000 -0.026 0.000 0.822 478 A HN 0.384 nan 8.150 nan 0.000 0.444 479 L N -0.221 120.983 121.223 -0.031 0.000 2.017 479 L HA -0.134 4.206 4.340 0.000 0.000 0.208 479 L C 2.434 179.251 176.870 -0.088 0.000 1.073 479 L CA 1.891 56.691 54.840 -0.067 0.000 0.745 479 L CB -0.846 41.148 42.059 -0.107 0.000 0.894 479 L HN 0.467 nan 8.230 nan 0.000 0.432 480 L N -0.235 120.932 121.223 -0.095 0.000 2.012 480 L HA -0.176 4.164 4.340 0.000 0.000 0.210 480 L C 2.644 179.469 176.870 -0.075 0.000 1.073 480 L CA 1.486 56.266 54.840 -0.099 0.000 0.748 480 L CB -1.290 40.702 42.059 -0.111 0.000 0.891 480 L HN 0.369 nan 8.230 nan 0.000 0.431 481 G N -0.275 108.486 108.800 -0.065 0.000 2.448 481 G HA2 -0.213 3.747 3.960 0.000 0.000 0.219 481 G HA3 -0.213 3.747 3.960 0.000 0.000 0.219 481 G C 1.680 176.555 174.900 -0.043 0.000 1.127 481 G CA 0.549 45.618 45.100 -0.052 0.000 0.766 481 G HN 0.319 nan 8.290 nan 0.000 0.552 482 K N 0.052 120.425 120.400 -0.046 0.000 1.984 482 K HA 0.081 4.401 4.320 0.000 0.000 0.209 482 K C 2.396 178.973 176.600 -0.038 0.000 1.046 482 K CA 1.060 57.324 56.287 -0.038 0.000 0.934 482 K CB -0.268 32.208 32.500 -0.041 0.000 0.717 482 K HN 0.275 nan 8.250 nan 0.000 0.438 483 I N 0.998 121.538 120.570 -0.050 0.000 2.208 483 I HA -0.309 3.861 4.170 0.000 0.000 0.245 483 I C 2.748 178.847 176.117 -0.029 0.000 1.097 483 I CA 1.149 62.422 61.300 -0.044 0.000 1.363 483 I CB -0.373 37.590 38.000 -0.062 0.000 1.051 483 I HN 0.230 nan 8.210 nan 0.000 0.413 484 R N 0.969 121.450 120.500 -0.032 0.000 2.070 484 R HA -0.158 4.182 4.340 0.000 0.000 0.232 484 R C 2.315 178.608 176.300 -0.011 0.000 1.138 484 R CA 2.430 58.518 56.100 -0.020 0.000 0.936 484 R CB -0.550 29.732 30.300 -0.030 0.000 0.839 484 R HN 0.274 nan 8.270 nan 0.000 0.429 485 T N 1.393 115.938 114.554 -0.016 0.000 2.652 485 T HA -0.133 4.217 4.350 0.000 0.000 0.267 485 T C 1.226 175.922 174.700 -0.007 0.000 1.039 485 T CA 1.822 63.916 62.100 -0.010 0.000 1.153 485 T CB -0.436 68.424 68.868 -0.014 0.000 0.863 485 T HN 0.347 nan 8.240 nan 0.000 0.428 486 D N 0.455 120.849 120.400 -0.010 0.000 2.310 486 D HA 0.109 4.749 4.640 0.000 0.000 0.212 486 D C 1.820 178.118 176.300 -0.003 0.000 0.965 486 D CA 1.009 55.005 54.000 -0.006 0.000 0.879 486 D CB -0.732 40.062 40.800 -0.009 0.000 0.921 486 D HN 0.533 nan 8.370 nan 0.000 0.510 487 G N 0.647 109.446 108.800 -0.003 0.000 2.205 487 G HA2 -0.362 3.598 3.960 0.000 0.000 0.269 487 G HA3 -0.362 3.598 3.960 0.000 0.000 0.269 487 G C 0.467 175.369 174.900 0.004 0.000 0.977 487 G CA 1.026 46.128 45.100 0.002 0.000 0.652 487 G HN 0.532 nan 8.290 nan 0.000 0.539 488 K N -0.471 119.929 120.400 0.001 0.000 2.482 488 K HA 0.693 5.013 4.320 0.000 0.000 0.257 488 K C -0.464 176.137 176.600 0.001 0.000 0.969 488 K CA -1.322 54.969 56.287 0.007 0.000 0.842 488 K CB 1.187 33.692 32.500 0.009 0.000 1.359 488 K HN 0.085 nan 8.250 nan 0.000 0.441 489 I N 3.706 124.283 120.570 0.011 0.000 2.282 489 I HA 0.134 4.304 4.170 0.000 0.000 0.290 489 I C 0.284 176.409 176.117 0.015 0.000 1.090 489 I CA -0.604 60.697 61.300 0.002 0.000 1.231 489 I CB 0.922 38.932 38.000 0.016 0.000 1.434 489 I HN 0.578 nan 8.210 nan 0.000 0.487 490 S N 3.446 119.148 115.700 0.002 0.000 2.641 490 S HA 0.222 4.692 4.470 0.000 0.000 0.261 490 S C 0.990 175.599 174.600 0.015 0.000 1.257 490 S CA -0.632 57.574 58.200 0.010 0.000 0.983 490 S CB 1.168 64.370 63.200 0.003 0.000 0.990 490 S HN 0.618 nan 8.310 nan 0.000 0.572 491 E N 0.253 120.465 120.200 0.020 0.000 2.118 491 E HA -0.177 4.173 4.350 0.000 0.000 0.195 491 E C 1.939 178.549 176.600 0.017 0.000 0.992 491 E CA 1.031 57.447 56.400 0.026 0.000 0.804 491 E CB -0.077 29.639 29.700 0.025 0.000 0.741 491 E HN 0.586 nan 8.360 nan 0.000 0.458 492 E N 0.578 120.782 120.200 0.006 0.000 2.012 492 E HA -0.150 4.200 4.350 0.000 0.000 0.197 492 E C 2.269 178.858 176.600 -0.017 0.000 1.007 492 E CA 0.982 57.381 56.400 -0.002 0.000 0.816 492 E CB -0.259 29.439 29.700 -0.005 0.000 0.762 492 E HN 0.014 nan 8.360 nan 0.000 0.451 493 S N 0.989 116.671 115.700 -0.030 0.000 2.387 493 S HA -0.181 4.289 4.470 0.000 0.000 0.230 493 S C 1.619 176.165 174.600 -0.091 0.000 1.035 493 S CA 1.377 59.538 58.200 -0.065 0.000 1.014 493 S CB -0.311 62.847 63.200 -0.069 0.000 0.836 493 S HN 0.338 nan 8.310 nan 0.000 0.466 494 D N 0.943 121.315 120.400 -0.047 0.000 2.117 494 D HA -0.069 4.571 4.640 0.000 0.000 0.198 494 D C 2.056 178.365 176.300 0.014 0.000 0.982 494 D CA 1.151 55.140 54.000 -0.018 0.000 0.828 494 D CB -0.102 40.748 40.800 0.083 0.000 0.967 494 D HN 0.367 nan 8.370 nan 0.000 0.464 495 A N 1.392 124.223 122.820 0.018 0.000 1.858 495 A HA -0.195 4.125 4.320 0.000 0.000 0.216 495 A C 2.236 179.819 177.584 -0.000 0.000 1.190 495 A CA 1.746 53.800 52.037 0.029 0.000 0.617 495 A CB -0.585 18.431 19.000 0.026 0.000 0.827 495 A HN 0.191 nan 8.150 nan 0.000 0.443 496 K N -0.854 119.523 120.400 -0.038 0.000 2.057 496 K HA -0.145 4.175 4.320 0.000 0.000 0.207 496 K C 1.958 178.475 176.600 -0.139 0.000 1.049 496 K CA 1.571 57.816 56.287 -0.070 0.000 0.931 496 K CB -0.311 32.143 32.500 -0.077 0.000 0.714 496 K HN 0.326 nan 8.250 nan 0.000 0.440 497 L N 2.098 123.209 121.223 -0.187 0.000 2.042 497 L HA -0.195 4.145 4.340 0.000 0.000 0.210 497 L C 2.376 179.145 176.870 -0.168 0.000 1.076 497 L CA 1.867 56.539 54.840 -0.280 0.000 0.749 497 L CB -0.521 41.240 42.059 -0.497 0.000 0.893 497 L HN 0.139 nan 8.230 nan 0.000 0.432 498 K N -0.531 119.847 120.400 -0.036 0.000 2.032 498 K HA -0.281 4.039 4.320 0.000 0.000 0.209 498 K C 2.143 178.741 176.600 -0.004 0.000 1.048 498 K CA 1.992 58.322 56.287 0.072 0.000 0.927 498 K CB -0.263 32.352 32.500 0.190 0.000 0.712 498 K HN 0.518 nan 8.250 nan 0.000 0.441 499 E N 0.544 120.749 120.200 0.008 0.000 2.038 499 E HA -0.214 4.136 4.350 0.000 0.000 0.195 499 E C 2.042 178.662 176.600 0.032 0.000 1.000 499 E CA 1.719 58.138 56.400 0.031 0.000 0.803 499 E CB -0.137 29.581 29.700 0.030 0.000 0.750 499 E HN 0.376 nan 8.360 nan 0.000 0.448 500 I N 0.949 121.494 120.570 -0.042 0.000 2.118 500 I HA -0.323 3.847 4.170 0.000 0.000 0.241 500 I C 2.647 178.871 176.117 0.178 0.000 1.070 500 I CA 1.609 62.898 61.300 -0.018 0.000 1.327 500 I CB -0.669 37.121 38.000 -0.350 0.000 1.034 500 I HN 0.191 nan 8.210 nan 0.000 0.405 501 V N -1.427 118.528 119.914 0.068 0.000 2.261 501 V HA -0.261 3.859 4.120 0.000 0.000 0.246 501 V C 2.383 178.520 176.094 0.071 0.000 1.047 501 V CA 2.421 64.737 62.300 0.027 0.000 1.015 501 V CB -1.809 29.699 31.823 -0.525 0.000 0.642 501 V HN 0.430 nan 8.190 nan 0.000 0.446 502 T N 1.042 115.580 114.554 -0.026 0.000 2.635 502 T HA -0.248 4.102 4.350 0.000 0.000 0.267 502 T C 1.790 176.602 174.700 0.188 0.000 1.040 502 T CA 2.422 64.611 62.100 0.147 0.000 1.156 502 T CB -0.891 68.079 68.868 0.171 0.000 0.863 502 T HN 0.707 nan 8.240 nan 0.000 0.430 503 N N 0.350 119.163 118.700 0.187 0.000 2.061 503 N HA -0.111 4.629 4.740 0.000 0.000 0.193 503 N C 1.668 177.312 175.510 0.223 0.000 1.030 503 N CA 1.215 54.382 53.050 0.195 0.000 0.856 503 N CB -0.338 38.279 38.487 0.217 0.000 1.023 503 N HN 0.225 nan 8.380 nan 0.000 0.424 504 F N 1.911 121.968 119.950 0.179 0.000 2.126 504 F HA -0.137 4.390 4.527 0.000 0.000 0.299 504 F C 2.064 178.007 175.800 0.238 0.000 1.096 504 F CA 1.044 59.135 58.000 0.151 0.000 1.255 504 F CB -0.253 38.893 39.000 0.243 0.000 0.997 504 F HN -0.001 nan 8.300 nan 0.000 0.479 505 L N 0.121 121.548 121.223 0.340 0.000 1.990 505 L HA -0.284 4.056 4.340 0.000 0.000 0.213 505 L C 2.770 179.729 176.870 0.149 0.000 1.072 505 L CA 2.135 57.154 54.840 0.298 0.000 0.755 505 L CB -2.028 40.183 42.059 0.253 0.000 0.889 505 L HN 0.293 nan 8.230 nan 0.000 0.432 506 A N -0.304 122.577 122.820 0.102 0.000 1.917 506 A HA -0.170 4.150 4.320 0.000 0.000 0.219 506 A C 2.242 179.819 177.584 -0.011 0.000 1.182 506 A CA 1.945 54.012 52.037 0.050 0.000 0.633 506 A CB -1.044 17.989 19.000 0.055 0.000 0.819 506 A HN 0.501 nan 8.150 nan 0.000 0.448 507 G N -2.430 106.322 108.800 -0.080 0.000 2.880 507 G HA2 0.239 4.199 3.960 0.000 0.000 0.209 507 G HA3 0.239 4.199 3.960 0.000 0.000 0.209 507 G C 0.262 175.018 174.900 -0.240 0.000 1.157 507 G CA -0.113 44.889 45.100 -0.162 0.000 0.779 507 G HN 0.358 nan 8.290 nan 0.000 0.539 508 F N 2.343 122.053 119.950 -0.400 0.000 2.466 508 F HA 0.482 5.009 4.527 0.000 0.000 0.363 508 F C 0.458 176.182 175.800 -0.126 0.000 1.109 508 F CA -1.766 56.024 58.000 -0.350 0.000 1.161 508 F CB 0.660 39.546 39.000 -0.190 0.000 1.117 508 F HN -0.012 nan 8.300 nan 0.000 0.539 509 E N 4.764 124.555 120.200 -0.683 0.000 2.390 509 E HA 0.482 4.832 4.350 0.000 0.000 0.261 509 E C -0.076 176.072 176.600 -0.754 0.000 1.076 509 E CA -0.160 55.917 56.400 -0.538 0.000 0.905 509 E CB 1.088 30.581 29.700 -0.345 0.000 0.984 509 E HN 0.784 nan 8.360 nan 0.000 0.427 510 A N 0.000 122.589 122.820 -0.384 0.000 2.254 510 A HA 0.000 4.320 4.320 0.000 0.000 0.244 510 A CA 0.000 51.880 52.037 -0.262 0.000 0.836 510 A CB 0.000 18.927 19.000 -0.121 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486