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_A 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 LAQYREVAAF AQFGSDLDAA 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 0.000 176.288 176.300 -0.020 0.000 2.045 24 D CA 0.000 53.994 54.000 -0.009 0.000 0.868 24 D CB 0.000 40.793 40.800 -0.012 0.000 0.688 25 L N 1.247 122.455 121.223 -0.025 0.000 2.675 25 L HA 0.208 4.548 4.340 -0.000 0.000 0.239 25 L C 1.871 178.697 176.870 -0.073 0.000 1.151 25 L CA 0.423 55.229 54.840 -0.057 0.000 0.905 25 L CB 0.065 42.081 42.059 -0.071 0.000 1.057 25 L HN 0.437 nan 8.230 nan 0.000 0.435 26 E N -0.068 120.101 120.200 -0.050 0.000 2.162 26 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 26 E C 1.468 178.039 176.600 -0.048 0.000 0.953 26 E CA 0.358 56.729 56.400 -0.048 0.000 0.849 26 E CB 0.560 30.239 29.700 -0.035 0.000 0.810 26 E HN 0.350 nan 8.360 nan 0.000 0.470 27 E N 0.282 120.456 120.200 -0.043 0.000 2.413 27 E HA 0.052 4.402 4.350 -0.000 0.000 0.203 27 E C 0.748 177.316 176.600 -0.053 0.000 0.957 27 E CA 0.619 56.992 56.400 -0.045 0.000 0.950 27 E CB 1.214 30.893 29.700 -0.036 0.000 0.957 27 E HN 0.254 nan 8.360 nan 0.000 0.497 28 T N -1.868 112.657 114.554 -0.049 0.000 2.940 28 T HA 0.782 5.132 4.350 -0.000 0.000 0.288 28 T C 0.355 175.024 174.700 -0.052 0.000 1.045 28 T CA -0.492 61.578 62.100 -0.051 0.000 1.018 28 T CB 2.522 71.371 68.868 -0.032 0.000 1.151 28 T HN 0.020 nan 8.240 nan 0.000 0.529 29 G N -0.118 108.654 108.800 -0.046 0.000 2.721 29 G HA2 0.689 4.649 3.960 -0.000 0.000 0.296 29 G HA3 0.689 4.649 3.960 -0.000 0.000 0.296 29 G C -1.726 173.186 174.900 0.019 0.000 1.383 29 G CA -1.146 43.939 45.100 -0.025 0.000 0.788 29 G HN 0.802 nan 8.290 nan 0.000 0.500 30 R N -0.691 119.853 120.500 0.072 0.000 2.621 30 R HA 0.522 4.862 4.340 -0.000 0.000 0.284 30 R C -0.929 175.437 176.300 0.110 0.000 0.998 30 R CA -0.727 55.427 56.100 0.090 0.000 0.895 30 R CB 2.723 33.082 30.300 0.099 0.000 1.195 30 R HN 0.348 nan 8.270 nan 0.000 0.450 31 V N 5.060 125.042 119.914 0.113 0.000 2.529 31 V HA -0.002 4.118 4.120 -0.000 0.000 0.292 31 V C 1.336 177.485 176.094 0.091 0.000 1.028 31 V CA 0.467 62.845 62.300 0.130 0.000 1.074 31 V CB 0.837 32.762 31.823 0.169 0.000 0.958 31 V HN 0.740 nan 8.190 nan 0.000 0.481 32 L N 3.744 125.019 121.223 0.087 0.000 2.145 32 L HA 0.144 4.483 4.340 -0.000 0.000 0.201 32 L C 0.968 177.863 176.870 0.041 0.000 1.075 32 L CA 0.882 55.754 54.840 0.052 0.000 0.773 32 L CB 0.173 42.265 42.059 0.055 0.000 0.936 32 L HN 0.834 nan 8.230 nan 0.000 0.451 33 S N -1.096 114.635 115.700 0.053 0.000 2.556 33 S HA 0.668 5.138 4.470 -0.000 0.000 0.271 33 S C -1.018 173.608 174.600 0.044 0.000 1.135 33 S CA -0.721 57.502 58.200 0.038 0.000 0.858 33 S CB 2.764 65.979 63.200 0.026 0.000 1.114 33 S HN 0.020 nan 8.310 nan 0.000 0.468 34 I N 0.395 120.979 120.570 0.024 0.000 2.610 34 I HA 0.832 5.002 4.170 -0.000 0.000 0.289 34 I C -0.464 175.649 176.117 -0.007 0.000 1.163 34 I CA 0.385 61.690 61.300 0.009 0.000 1.044 34 I CB 1.448 39.444 38.000 -0.007 0.000 1.251 34 I HN 1.315 nan 8.210 nan 0.000 0.424 35 G N 4.466 113.259 108.800 -0.011 0.000 2.556 35 G HA2 0.413 4.373 3.960 -0.000 0.000 0.294 35 G HA3 0.413 4.373 3.960 -0.000 0.000 0.294 35 G C -1.262 173.627 174.900 -0.019 0.000 1.516 35 G CA -0.464 44.627 45.100 -0.017 0.000 0.824 35 G HN 0.658 nan 8.290 nan 0.000 0.535 36 D N -0.415 119.971 120.400 -0.023 0.000 2.751 36 D HA -0.188 4.452 4.640 -0.000 0.000 0.233 36 D C 1.679 177.962 176.300 -0.027 0.000 1.149 36 D CA 2.774 56.758 54.000 -0.026 0.000 0.682 36 D CB -1.194 39.591 40.800 -0.025 0.000 1.068 36 D HN 2.243 nan 8.370 nan 0.000 0.429 37 G N -1.196 107.586 108.800 -0.030 0.000 2.212 37 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.266 37 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.266 37 G C 0.271 175.170 174.900 -0.002 0.000 0.978 37 G CA 0.414 45.498 45.100 -0.026 0.000 0.632 37 G HN 0.503 nan 8.290 nan 0.000 0.537 38 I N 1.226 121.798 120.570 0.003 0.000 2.339 38 I HA 0.655 4.825 4.170 -0.000 0.000 0.290 38 I C 0.487 176.635 176.117 0.050 0.000 0.994 38 I CA -0.740 60.580 61.300 0.032 0.000 1.191 38 I CB 1.237 39.247 38.000 0.017 0.000 1.343 38 I HN 0.314 nan 8.210 nan 0.000 0.458 39 A N 7.574 130.461 122.820 0.111 0.000 2.267 39 A HA 0.581 4.901 4.320 -0.000 0.000 0.315 39 A C -0.006 177.668 177.584 0.150 0.000 1.297 39 A CA -0.754 51.377 52.037 0.157 0.000 0.865 39 A CB 0.518 19.719 19.000 0.334 0.000 1.165 39 A HN 0.547 nan 8.150 nan 0.000 0.513 40 R N 1.832 122.396 120.500 0.105 0.000 2.296 40 R HA 0.344 4.684 4.340 -0.000 0.000 0.323 40 R C -0.623 175.740 176.300 0.106 0.000 1.067 40 R CA -0.109 56.045 56.100 0.089 0.000 0.946 40 R CB 0.592 30.931 30.300 0.064 0.000 0.991 40 R HN 0.448 nan 8.270 nan 0.000 0.448 41 V N 3.497 123.467 119.914 0.094 0.000 2.435 41 V HA 0.189 4.309 4.120 -0.000 0.000 0.290 41 V C 0.134 176.285 176.094 0.095 0.000 1.030 41 V CA -0.994 61.359 62.300 0.089 0.000 0.881 41 V CB 1.430 33.274 31.823 0.034 0.000 0.983 41 V HN 0.688 nan 8.190 nan 0.000 0.445 42 H N 2.751 121.830 119.070 0.015 0.000 2.487 42 H HA 0.687 5.243 4.556 -0.000 0.000 0.333 42 H C 0.510 175.836 175.328 -0.002 0.000 1.114 42 H CA 1.275 57.327 56.048 0.007 0.000 1.310 42 H CB 1.186 30.954 29.762 0.010 0.000 1.462 42 H HN 1.116 nan 8.280 nan 0.000 0.516 43 G N 2.889 111.334 108.800 -0.591 0.000 2.513 43 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.227 43 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.227 43 G C 0.029 174.820 174.900 -0.182 0.000 1.176 43 G CA -0.381 44.501 45.100 -0.363 0.000 0.967 43 G HN 1.202 nan 8.290 nan 0.000 0.587 44 L N -0.246 120.906 121.223 -0.119 0.000 3.858 44 L HA -0.232 4.107 4.340 -0.000 0.000 0.425 44 L C 2.341 179.162 176.870 -0.081 0.000 1.177 44 L CA 0.879 55.665 54.840 -0.090 0.000 0.943 44 L CB -0.775 41.233 42.059 -0.084 0.000 1.861 44 L HN 0.631 nan 8.230 nan 0.000 0.985 45 R N 0.318 120.765 120.500 -0.089 0.000 2.211 45 R HA -0.123 4.217 4.340 -0.000 0.000 0.240 45 R C 1.205 177.475 176.300 -0.050 0.000 1.144 45 R CA 1.515 57.571 56.100 -0.073 0.000 0.992 45 R CB -0.259 29.996 30.300 -0.075 0.000 0.869 45 R HN 0.556 nan 8.270 nan 0.000 0.462 46 N N -0.174 118.498 118.700 -0.047 0.000 2.214 46 N HA 0.015 4.755 4.740 -0.000 0.000 0.214 46 N C -0.157 175.332 175.510 -0.035 0.000 1.132 46 N CA -0.034 52.994 53.050 -0.036 0.000 0.856 46 N CB 0.558 39.025 38.487 -0.033 0.000 1.020 46 N HN -0.012 nan 8.380 nan 0.000 0.509 47 V N -1.163 118.727 119.914 -0.040 0.000 2.924 47 V HA 0.228 4.348 4.120 -0.000 0.000 0.305 47 V C 0.340 176.419 176.094 -0.024 0.000 1.073 47 V CA -0.642 61.635 62.300 -0.037 0.000 1.098 47 V CB 0.769 32.567 31.823 -0.042 0.000 1.000 47 V HN 0.069 nan 8.190 nan 0.000 0.484 48 Q N 1.846 121.635 119.800 -0.019 0.000 2.226 48 Q HA 0.690 5.030 4.340 -0.000 0.000 0.256 48 Q C 0.061 176.061 176.000 0.001 0.000 0.962 48 Q CA -0.607 55.191 55.803 -0.008 0.000 0.887 48 Q CB 1.796 30.529 28.738 -0.008 0.000 1.282 48 Q HN 1.131 nan 8.270 nan 0.000 0.449 49 A N 1.922 124.749 122.820 0.011 0.000 2.545 49 A HA 0.023 4.343 4.320 -0.000 0.000 0.253 49 A C 0.092 177.694 177.584 0.029 0.000 1.074 49 A CA 0.466 52.517 52.037 0.024 0.000 0.760 49 A CB -0.387 18.632 19.000 0.032 0.000 1.005 49 A HN 0.952 nan 8.150 nan 0.000 0.506 50 E N -0.378 119.847 120.200 0.042 0.000 3.687 50 E HA -0.173 4.176 4.350 -0.000 0.000 0.319 50 E C 0.134 176.755 176.600 0.034 0.000 0.821 50 E CA 1.062 57.496 56.400 0.058 0.000 1.195 50 E CB -1.478 28.255 29.700 0.054 0.000 1.605 50 E HN 0.956 nan 8.360 nan 0.000 0.419 51 E N 0.710 120.917 120.200 0.011 0.000 2.349 51 E HA 0.250 4.600 4.350 -0.000 0.000 0.265 51 E C -0.037 176.543 176.600 -0.033 0.000 1.064 51 E CA -0.436 55.954 56.400 -0.016 0.000 0.886 51 E CB 0.675 30.358 29.700 -0.027 0.000 1.036 51 E HN -0.023 nan 8.360 nan 0.000 0.413 52 M N 4.222 123.782 119.600 -0.066 0.000 2.144 52 M HA 0.191 4.671 4.480 -0.000 0.000 0.356 52 M C -0.274 175.948 176.300 -0.130 0.000 1.217 52 M CA -0.547 54.681 55.300 -0.120 0.000 1.087 52 M CB 0.739 33.248 32.600 -0.152 0.000 1.609 52 M HN 0.423 nan 8.290 nan 0.000 0.467 53 V N 1.226 121.042 119.914 -0.163 0.000 3.103 53 V HA 0.727 4.847 4.120 -0.000 0.000 0.318 53 V C -0.668 175.280 176.094 -0.242 0.000 1.114 53 V CA -0.875 61.299 62.300 -0.210 0.000 1.020 53 V CB 2.201 33.856 31.823 -0.281 0.000 1.085 53 V HN 0.904 nan 8.190 nan 0.000 0.446 54 E N 0.484 120.536 120.200 -0.247 0.000 2.248 54 E HA 0.577 4.927 4.350 -0.000 0.000 0.267 54 E C -1.674 174.803 176.600 -0.204 0.000 0.877 54 E CA -0.717 55.595 56.400 -0.147 0.000 0.759 54 E CB 1.787 31.452 29.700 -0.058 0.000 1.182 54 E HN 0.605 nan 8.360 nan 0.000 0.418 55 F N 1.587 121.535 119.950 -0.003 0.000 2.370 55 F HA 0.190 4.716 4.527 -0.000 0.000 0.319 55 F C 1.861 177.665 175.800 0.007 0.000 1.129 55 F CA -0.308 57.697 58.000 0.008 0.000 1.109 55 F CB 1.247 40.259 39.000 0.019 0.000 1.262 55 F HN 0.515 nan 8.300 nan 0.000 0.534 56 S N 0.352 116.167 115.700 0.192 0.000 2.381 56 S HA -0.260 4.210 4.470 -0.000 0.000 0.230 56 S C 2.043 176.702 174.600 0.099 0.000 1.052 56 S CA 2.042 60.308 58.200 0.110 0.000 1.068 56 S CB -0.685 62.570 63.200 0.092 0.000 0.918 56 S HN 0.735 nan 8.310 nan 0.000 0.448 57 S N 0.456 116.224 115.700 0.114 0.000 2.528 57 S HA 0.168 4.638 4.470 -0.000 0.000 0.244 57 S C 1.680 176.326 174.600 0.077 0.000 0.982 57 S CA 0.917 59.163 58.200 0.076 0.000 0.953 57 S CB -0.597 62.633 63.200 0.050 0.000 0.754 57 S HN 0.928 nan 8.310 nan 0.000 0.529 58 G N -0.027 108.834 108.800 0.103 0.000 2.213 58 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.236 58 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.236 58 G C -0.063 174.901 174.900 0.107 0.000 0.991 58 G CA 0.005 45.155 45.100 0.082 0.000 0.629 58 G HN 0.428 nan 8.290 nan 0.000 0.517 59 L N 1.454 122.764 121.223 0.146 0.000 2.483 59 L HA 0.440 4.780 4.340 -0.000 0.000 0.276 59 L C 1.055 178.095 176.870 0.284 0.000 1.213 59 L CA 0.659 55.600 54.840 0.169 0.000 0.843 59 L CB 0.496 42.605 42.059 0.084 0.000 1.107 59 L HN 0.298 nan 8.230 nan 0.000 0.487 60 K N 1.012 121.525 120.400 0.189 0.000 2.109 60 K HA 0.780 5.100 4.320 -0.000 0.000 0.243 60 K C -0.164 176.556 176.600 0.200 0.000 1.006 60 K CA -0.529 55.792 56.287 0.056 0.000 0.917 60 K CB 1.303 33.667 32.500 -0.227 0.000 1.081 60 K HN 0.773 nan 8.250 nan 0.000 0.468 61 G N 0.557 109.369 108.800 0.021 0.000 2.703 61 G HA2 0.485 4.444 3.960 -0.000 0.000 0.294 61 G HA3 0.485 4.444 3.960 -0.000 0.000 0.294 61 G C -1.852 173.061 174.900 0.021 0.000 1.451 61 G CA -0.740 44.508 45.100 0.247 0.000 0.869 61 G HN 0.459 nan 8.290 nan 0.000 0.516 62 M N 1.454 121.187 119.600 0.221 0.000 2.243 62 M HA 0.469 4.949 4.480 -0.000 0.000 0.324 62 M C -0.181 176.207 176.300 0.147 0.000 1.031 62 M CA -0.614 54.785 55.300 0.165 0.000 0.949 62 M CB 1.647 34.443 32.600 0.327 0.000 1.615 62 M HN 0.347 nan 8.290 nan 0.000 0.430 63 S N 6.131 121.874 115.700 0.073 0.000 3.517 63 S HA 0.188 4.658 4.470 -0.000 0.000 0.284 63 S C 1.128 175.768 174.600 0.066 0.000 1.260 63 S CA -0.356 57.876 58.200 0.053 0.000 0.975 63 S CB -0.424 62.782 63.200 0.011 0.000 1.540 63 S HN 0.707 nan 8.310 nan 0.000 0.506 64 L N 1.171 122.443 121.223 0.081 0.000 2.209 64 L HA 0.125 4.465 4.340 -0.000 0.000 0.207 64 L C 0.219 177.121 176.870 0.052 0.000 1.094 64 L CA 0.711 55.597 54.840 0.075 0.000 0.790 64 L CB -0.184 41.916 42.059 0.069 0.000 0.932 64 L HN 0.389 nan 8.230 nan 0.000 0.447 65 N N 0.239 118.963 118.700 0.041 0.000 2.407 65 N HA 0.423 5.163 4.740 -0.000 0.000 0.277 65 N C -1.081 174.445 175.510 0.026 0.000 0.995 65 N CA -0.169 52.899 53.050 0.030 0.000 0.903 65 N CB 1.685 40.185 38.487 0.022 0.000 1.218 65 N HN -0.031 nan 8.380 nan 0.000 0.487 66 L N 2.011 123.247 121.223 0.022 0.000 2.277 66 L HA 0.459 4.799 4.340 -0.000 0.000 0.284 66 L C 0.244 177.121 176.870 0.013 0.000 1.028 66 L CA -0.412 54.436 54.840 0.013 0.000 0.835 66 L CB 0.814 42.880 42.059 0.010 0.000 1.215 66 L HN 0.379 nan 8.230 nan 0.000 0.425 67 E N 3.498 123.706 120.200 0.012 0.000 2.249 67 E HA 0.326 4.676 4.350 -0.000 0.000 0.263 67 E C -1.702 174.903 176.600 0.010 0.000 0.950 67 E CA -1.803 54.605 56.400 0.013 0.000 0.827 67 E CB 1.852 31.563 29.700 0.019 0.000 1.220 67 E HN 0.280 nan 8.360 nan 0.000 0.411 68 P HA -0.166 nan 4.420 nan 0.000 0.216 68 P C 0.401 177.710 177.300 0.014 0.000 1.150 68 P CA 1.343 64.449 63.100 0.010 0.000 0.837 68 P CB 0.179 31.887 31.700 0.012 0.000 0.786 69 D N -1.974 118.444 120.400 0.029 0.000 2.433 69 D HA 0.058 4.698 4.640 -0.000 0.000 0.211 69 D C 0.119 176.464 176.300 0.076 0.000 1.114 69 D CA -0.111 53.925 54.000 0.059 0.000 0.837 69 D CB -0.352 40.489 40.800 0.069 0.000 0.984 69 D HN 0.339 nan 8.370 nan 0.000 0.505 70 N N -1.401 117.323 118.700 0.041 0.000 3.185 70 N HA 0.341 5.080 4.740 -0.000 0.000 0.238 70 N C -2.032 173.492 175.510 0.022 0.000 1.451 70 N CA -0.937 52.139 53.050 0.045 0.000 0.888 70 N CB 1.615 40.141 38.487 0.066 0.000 1.413 70 N HN -0.212 nan 8.380 nan 0.000 0.511 71 V N -0.066 119.862 119.914 0.025 0.000 2.448 71 V HA 0.756 4.875 4.120 -0.000 0.000 0.295 71 V C 0.554 176.673 176.094 0.042 0.000 1.025 71 V CA -0.618 61.694 62.300 0.021 0.000 0.859 71 V CB 1.286 33.109 31.823 0.001 0.000 0.988 71 V HN 0.890 nan 8.190 nan 0.000 0.431 72 G N 3.843 112.668 108.800 0.042 0.000 2.391 72 G HA2 0.492 4.451 3.960 -0.000 0.000 0.305 72 G HA3 0.492 4.451 3.960 -0.000 0.000 0.305 72 G C -0.521 174.425 174.900 0.076 0.000 1.072 72 G CA -0.165 44.968 45.100 0.055 0.000 1.016 72 G HN 0.533 nan 8.290 nan 0.000 0.418 73 V N 3.711 123.695 119.914 0.117 0.000 2.427 73 V HA 0.357 4.477 4.120 -0.000 0.000 0.286 73 V C 0.562 176.785 176.094 0.214 0.000 1.034 73 V CA -0.777 61.627 62.300 0.174 0.000 0.893 73 V CB 1.513 33.471 31.823 0.225 0.000 0.982 73 V HN 0.696 nan 8.190 nan 0.000 0.452 74 V N 3.865 123.916 119.914 0.229 0.000 2.432 74 V HA 0.575 4.695 4.120 -0.000 0.000 0.275 74 V C -0.066 176.237 176.094 0.349 0.000 1.043 74 V CA -0.522 61.903 62.300 0.209 0.000 0.925 74 V CB 1.203 33.110 31.823 0.139 0.000 0.985 74 V HN 0.489 nan 8.190 nan 0.000 0.466 75 V N 5.845 125.893 119.914 0.223 0.000 2.461 75 V HA 0.303 4.423 4.120 -0.000 0.000 0.275 75 V C 0.125 176.369 176.094 0.250 0.000 1.047 75 V CA -0.077 62.357 62.300 0.224 0.000 0.955 75 V CB 0.659 32.459 31.823 -0.037 0.000 0.988 75 V HN 0.795 nan 8.190 nan 0.000 0.471 76 F N 4.657 124.653 119.950 0.076 0.000 2.669 76 F HA 0.634 5.161 4.527 -0.000 0.000 0.353 76 F C 1.072 176.891 175.800 0.033 0.000 1.192 76 F CA 0.149 58.191 58.000 0.071 0.000 1.317 76 F CB 0.017 39.076 39.000 0.099 0.000 1.652 76 F HN 0.745 nan 8.300 nan 0.000 0.608 77 G N 0.429 109.294 108.800 0.109 0.000 2.351 77 G HA2 0.006 3.966 3.960 -0.000 0.000 0.279 77 G HA3 0.006 3.966 3.960 -0.000 0.000 0.279 77 G C -1.577 173.320 174.900 -0.005 0.000 1.297 77 G CA -1.192 43.938 45.100 0.051 0.000 0.886 77 G HN 0.088 nan 8.290 nan 0.000 0.493 78 N N 0.929 119.620 118.700 -0.015 0.000 2.470 78 N HA 0.281 5.021 4.740 -0.000 0.000 0.268 78 N C 0.909 176.378 175.510 -0.068 0.000 1.136 78 N CA 0.278 53.309 53.050 -0.032 0.000 0.961 78 N CB 1.371 39.846 38.487 -0.020 0.000 1.067 78 N HN 0.524 nan 8.380 nan 0.000 0.468 79 D N 2.484 122.838 120.400 -0.077 0.000 2.363 79 D HA -0.100 4.540 4.640 -0.000 0.000 0.226 79 D C 1.335 177.581 176.300 -0.091 0.000 1.020 79 D CA 0.508 54.437 54.000 -0.119 0.000 0.892 79 D CB 0.022 40.754 40.800 -0.112 0.000 0.900 79 D HN 0.615 nan 8.370 nan 0.000 0.531 80 K N 1.079 121.444 120.400 -0.059 0.000 2.103 80 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 80 K C 1.557 178.131 176.600 -0.043 0.000 1.048 80 K CA 0.861 57.123 56.287 -0.041 0.000 0.930 80 K CB -0.228 32.257 32.500 -0.027 0.000 0.716 80 K HN 0.262 nan 8.250 nan 0.000 0.444 81 L N 1.418 122.609 121.223 -0.054 0.000 2.675 81 L HA 0.114 4.454 4.340 -0.000 0.000 0.238 81 L C 0.408 177.241 176.870 -0.063 0.000 1.155 81 L CA 0.191 55.003 54.840 -0.046 0.000 0.881 81 L CB -0.089 41.947 42.059 -0.040 0.000 1.008 81 L HN 0.155 nan 8.230 nan 0.000 0.443 82 I N 0.341 120.856 120.570 -0.092 0.000 2.447 82 I HA 0.269 4.439 4.170 -0.000 0.000 0.287 82 I C -0.351 175.743 176.117 -0.038 0.000 1.023 82 I CA -0.486 60.756 61.300 -0.098 0.000 1.083 82 I CB 1.602 39.445 38.000 -0.262 0.000 1.245 82 I HN 0.013 nan 8.210 nan 0.000 0.434 83 K N 4.709 125.112 120.400 0.005 0.000 2.350 83 K HA 0.417 4.737 4.320 -0.000 0.000 0.241 83 K C -0.507 176.116 176.600 0.037 0.000 0.994 83 K CA -0.956 55.340 56.287 0.015 0.000 0.839 83 K CB 2.193 34.702 32.500 0.015 0.000 1.244 83 K HN 0.518 nan 8.250 nan 0.000 0.443 84 E N 0.112 120.330 120.200 0.031 0.000 2.442 84 E HA -0.040 4.310 4.350 -0.000 0.000 0.262 84 E C 0.534 177.158 176.600 0.040 0.000 1.004 84 E CA 1.305 57.726 56.400 0.036 0.000 0.928 84 E CB 0.106 29.819 29.700 0.021 0.000 0.937 84 E HN 0.766 nan 8.360 nan 0.000 0.446 85 G N 3.770 112.598 108.800 0.048 0.000 2.225 85 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.254 85 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.254 85 G C -0.186 174.749 174.900 0.058 0.000 0.988 85 G CA 0.207 45.333 45.100 0.044 0.000 0.625 85 G HN 0.672 nan 8.290 nan 0.000 0.527 86 D N 0.564 121.012 120.400 0.079 0.000 2.455 86 D HA 0.416 5.056 4.640 -0.000 0.000 0.241 86 D C 0.868 177.227 176.300 0.099 0.000 1.138 86 D CA 0.064 54.123 54.000 0.099 0.000 0.877 86 D CB 0.636 41.520 40.800 0.141 0.000 1.187 86 D HN 0.286 nan 8.370 nan 0.000 0.451 87 I N 2.177 122.791 120.570 0.072 0.000 2.496 87 I HA 0.061 4.231 4.170 -0.000 0.000 0.285 87 I C -0.110 176.014 176.117 0.012 0.000 1.080 87 I CA -0.117 61.206 61.300 0.039 0.000 1.404 87 I CB 0.953 38.968 38.000 0.025 0.000 1.403 87 I HN 0.027 nan 8.210 nan 0.000 0.539 88 V N 7.127 127.010 119.914 -0.052 0.000 2.417 88 V HA 0.421 4.541 4.120 -0.000 0.000 0.291 88 V C 0.002 176.004 176.094 -0.152 0.000 1.024 88 V CA -0.962 61.225 62.300 -0.188 0.000 0.861 88 V CB 1.310 32.949 31.823 -0.306 0.000 0.985 88 V HN 0.594 nan 8.190 nan 0.000 0.436 89 K N 3.946 124.253 120.400 -0.156 0.000 2.156 89 K HA 0.641 4.961 4.320 -0.000 0.000 0.254 89 K C -0.322 176.203 176.600 -0.126 0.000 0.950 89 K CA -0.879 55.343 56.287 -0.109 0.000 0.849 89 K CB 2.305 34.762 32.500 -0.073 0.000 1.100 89 K HN 0.546 nan 8.250 nan 0.000 0.434 90 R N 0.157 120.600 120.500 -0.095 0.000 2.615 90 R HA 0.074 4.413 4.340 -0.000 0.000 0.270 90 R C 1.187 177.442 176.300 -0.076 0.000 1.081 90 R CA 0.075 56.121 56.100 -0.089 0.000 1.154 90 R CB 0.616 30.875 30.300 -0.068 0.000 1.063 90 R HN 0.813 nan 8.270 nan 0.000 0.519 91 T N -2.789 111.721 114.554 -0.073 0.000 2.971 91 T HA 0.162 4.512 4.350 -0.000 0.000 0.252 91 T C 1.427 176.099 174.700 -0.048 0.000 1.022 91 T CA 0.392 62.455 62.100 -0.061 0.000 0.980 91 T CB 0.532 69.359 68.868 -0.069 0.000 1.044 91 T HN 0.804 nan 8.240 nan 0.000 0.501 92 G N 1.734 110.506 108.800 -0.047 0.000 2.302 92 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.263 92 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.263 92 G C 0.483 175.362 174.900 -0.034 0.000 0.995 92 G CA 0.222 45.300 45.100 -0.037 0.000 0.622 92 G HN 1.238 nan 8.290 nan 0.000 0.538 93 A N -0.673 122.124 122.820 -0.039 0.000 2.239 93 A HA 0.903 5.223 4.320 -0.000 0.000 0.303 93 A C 0.140 177.701 177.584 -0.039 0.000 1.114 93 A CA 0.209 52.224 52.037 -0.036 0.000 0.871 93 A CB 1.049 20.025 19.000 -0.040 0.000 1.201 93 A HN 1.224 nan 8.150 nan 0.000 0.506 94 I N -1.380 119.170 120.570 -0.034 0.000 3.264 94 I HA 0.415 4.585 4.170 -0.000 0.000 0.315 94 I C -0.799 175.300 176.117 -0.030 0.000 1.154 94 I CA -1.038 60.243 61.300 -0.031 0.000 0.962 94 I CB 2.173 40.159 38.000 -0.022 0.000 1.265 94 I HN 0.400 nan 8.210 nan 0.000 0.463 95 V N 4.120 124.021 119.914 -0.022 0.000 2.540 95 V HA 0.156 4.276 4.120 -0.000 0.000 0.297 95 V C -0.603 175.487 176.094 -0.007 0.000 1.024 95 V CA 0.400 62.695 62.300 -0.008 0.000 1.105 95 V CB 0.058 31.897 31.823 0.027 0.000 0.938 95 V HN 0.703 nan 8.190 nan 0.000 0.482 96 D N 4.077 124.475 120.400 -0.003 0.000 2.837 96 D HA 0.508 5.148 4.640 -0.000 0.000 0.220 96 D C -0.810 175.492 176.300 0.004 0.000 1.236 96 D CA -0.450 53.549 54.000 -0.001 0.000 0.838 96 D CB 2.147 42.942 40.800 -0.009 0.000 1.647 96 D HN 0.432 nan 8.370 nan 0.000 0.486 97 V N -2.438 117.479 119.914 0.005 0.000 3.019 97 V HA 0.751 4.871 4.120 -0.000 0.000 0.317 97 V C -2.706 173.378 176.094 -0.017 0.000 1.094 97 V CA -2.362 59.941 62.300 0.004 0.000 1.000 97 V CB 1.472 33.304 31.823 0.016 0.000 1.060 97 V HN 0.474 nan 8.190 nan 0.000 0.443 98 P HA 0.261 nan 4.420 nan 0.000 0.268 98 P C -0.663 176.584 177.300 -0.087 0.000 1.204 98 P CA 0.312 63.381 63.100 -0.052 0.000 0.768 98 P CB 1.357 33.030 31.700 -0.045 0.000 0.842 99 V N 2.178 122.003 119.914 -0.149 0.000 3.078 99 V HA 0.887 5.007 4.120 -0.000 0.000 0.311 99 V C 0.056 175.829 176.094 -0.535 0.000 1.138 99 V CA 0.393 62.532 62.300 -0.269 0.000 1.007 99 V CB 1.916 33.635 31.823 -0.173 0.000 1.045 99 V HN 1.039 nan 8.190 nan 0.000 0.432 100 G N 3.234 111.445 108.800 -0.983 0.000 2.355 100 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.619 100 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.619 100 G C -0.051 174.427 174.900 -0.704 0.000 1.337 100 G CA 0.002 44.235 45.100 -1.446 0.000 0.993 100 G HN 0.706 nan 8.290 nan 0.000 0.599 101 E N 0.237 120.178 120.200 -0.432 0.000 2.409 101 E HA -0.097 4.252 4.350 -0.000 0.000 0.198 101 E C 1.940 178.529 176.600 -0.018 0.000 1.024 101 E CA 1.130 57.514 56.400 -0.026 0.000 0.861 101 E CB 0.082 29.815 29.700 0.056 0.000 0.788 101 E HN 0.581 nan 8.360 nan 0.000 0.521 102 E N 0.356 120.504 120.200 -0.085 0.000 2.511 102 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 102 E C 1.584 178.170 176.600 -0.023 0.000 1.066 102 E CA 0.353 56.729 56.400 -0.041 0.000 0.871 102 E CB -0.006 29.661 29.700 -0.054 0.000 0.863 102 E HN 0.350 nan 8.360 nan 0.000 0.520 103 L N 0.447 121.660 121.223 -0.017 0.000 2.416 103 L HA 0.161 4.501 4.340 -0.000 0.000 0.216 103 L C 1.166 178.067 176.870 0.051 0.000 1.098 103 L CA -0.064 54.784 54.840 0.013 0.000 0.840 103 L CB -0.036 42.033 42.059 0.016 0.000 0.981 103 L HN 0.016 nan 8.230 nan 0.000 0.462 104 L N 0.361 121.633 121.223 0.081 0.000 2.514 104 L HA 0.042 4.382 4.340 -0.000 0.000 0.280 104 L C 1.513 178.410 176.870 0.044 0.000 1.223 104 L CA 0.895 55.789 54.840 0.091 0.000 0.864 104 L CB -0.088 42.053 42.059 0.136 0.000 1.118 104 L HN 0.378 nan 8.230 nan 0.000 0.494 105 G N 1.342 110.150 108.800 0.014 0.000 2.189 105 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.267 105 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.267 105 G C 0.376 175.272 174.900 -0.007 0.000 0.975 105 G CA -0.104 44.987 45.100 -0.014 0.000 0.644 105 G HN 0.482 nan 8.290 nan 0.000 0.537 106 R N -0.546 119.959 120.500 0.009 0.000 2.720 106 R HA 0.699 5.039 4.340 -0.000 0.000 0.272 106 R C -0.318 175.992 176.300 0.016 0.000 0.991 106 R CA -0.818 55.288 56.100 0.009 0.000 1.010 106 R CB 1.599 31.907 30.300 0.012 0.000 1.141 106 R HN 0.208 nan 8.270 nan 0.000 0.494 107 V N 2.603 122.527 119.914 0.016 0.000 2.350 107 V HA 0.323 4.443 4.120 -0.000 0.000 0.285 107 V C 0.161 176.272 176.094 0.030 0.000 1.014 107 V CA -0.717 61.598 62.300 0.026 0.000 0.831 107 V CB 1.341 33.176 31.823 0.020 0.000 1.000 107 V HN 0.583 nan 8.190 nan 0.000 0.433 108 V N 1.520 121.457 119.914 0.038 0.000 3.103 108 V HA 0.826 4.946 4.120 -0.000 0.000 0.318 108 V C -0.180 175.941 176.094 0.045 0.000 1.114 108 V CA -0.802 61.521 62.300 0.037 0.000 1.020 108 V CB 2.109 33.952 31.823 0.033 0.000 1.085 108 V HN 0.745 nan 8.190 nan 0.000 0.446 109 D N 1.640 122.068 120.400 0.046 0.000 2.469 109 D HA 0.463 5.103 4.640 -0.000 0.000 0.278 109 D C 1.176 177.511 176.300 0.059 0.000 1.231 109 D CA 0.048 54.080 54.000 0.054 0.000 1.075 109 D CB 0.938 41.773 40.800 0.058 0.000 1.121 109 D HN 0.812 nan 8.370 nan 0.000 0.571 110 A N -0.909 121.952 122.820 0.069 0.000 2.121 110 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 110 A C 2.052 179.689 177.584 0.088 0.000 1.154 110 A CA 0.747 52.829 52.037 0.075 0.000 0.679 110 A CB -0.717 18.330 19.000 0.079 0.000 0.795 110 A HN 0.506 nan 8.150 nan 0.000 0.458 111 L N -1.507 119.772 121.223 0.092 0.000 2.700 111 L HA 0.273 4.613 4.340 -0.000 0.000 0.234 111 L C 1.515 178.415 176.870 0.052 0.000 1.156 111 L CA 0.426 55.316 54.840 0.083 0.000 0.946 111 L CB -0.064 42.054 42.059 0.099 0.000 1.216 111 L HN 0.523 nan 8.230 nan 0.000 0.493 112 G N -0.022 108.805 108.800 0.045 0.000 2.159 112 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.256 112 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.256 112 G C 0.193 175.108 174.900 0.024 0.000 0.977 112 G CA -0.211 44.906 45.100 0.028 0.000 0.652 112 G HN 0.406 nan 8.290 nan 0.000 0.531 113 N N 1.072 119.792 118.700 0.033 0.000 2.518 113 N HA 0.476 5.216 4.740 -0.000 0.000 0.266 113 N C 0.652 176.177 175.510 0.026 0.000 1.196 113 N CA 0.701 53.768 53.050 0.028 0.000 0.947 113 N CB 1.118 39.627 38.487 0.037 0.000 1.098 113 N HN 0.718 nan 8.380 nan 0.000 0.450 114 A N 1.987 124.819 122.820 0.019 0.000 2.488 114 A HA 0.246 4.566 4.320 -0.000 0.000 0.249 114 A C 1.289 178.886 177.584 0.020 0.000 1.083 114 A CA -0.204 51.844 52.037 0.017 0.000 0.768 114 A CB -0.495 18.512 19.000 0.011 0.000 1.017 114 A HN 0.807 nan 8.150 nan 0.000 0.496 115 I N -0.635 119.948 120.570 0.022 0.000 4.240 115 I HA 0.233 4.403 4.170 -0.000 0.000 0.331 115 I C 0.442 176.569 176.117 0.017 0.000 1.381 115 I CA 0.008 61.322 61.300 0.022 0.000 1.136 115 I CB 0.475 38.492 38.000 0.028 0.000 1.137 115 I HN 0.457 nan 8.210 nan 0.000 0.411 116 D N 1.415 121.823 120.400 0.013 0.000 2.340 116 D HA 0.129 4.769 4.640 -0.000 0.000 0.220 116 D C 1.750 178.053 176.300 0.005 0.000 1.039 116 D CA 0.717 54.722 54.000 0.007 0.000 0.866 116 D CB 0.101 40.903 40.800 0.004 0.000 0.913 116 D HN 0.465 nan 8.370 nan 0.000 0.523 117 G N 0.911 109.715 108.800 0.007 0.000 2.212 117 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.266 117 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.266 117 G C 0.830 175.731 174.900 0.003 0.000 0.978 117 G CA 0.428 45.532 45.100 0.005 0.000 0.632 117 G HN 0.469 nan 8.290 nan 0.000 0.537 118 K N 1.084 121.485 120.400 0.002 0.000 2.706 118 K HA 0.447 4.767 4.320 -0.000 0.000 0.217 118 K C 1.405 178.006 176.600 0.002 0.000 1.019 118 K CA 0.473 56.760 56.287 0.001 0.000 1.181 118 K CB -0.301 32.199 32.500 -0.001 0.000 0.940 118 K HN 1.446 nan 8.250 nan 0.000 0.491 119 G N 2.280 111.082 108.800 0.003 0.000 2.796 119 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.571 119 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.571 119 G C -2.741 172.160 174.900 0.002 0.000 1.370 119 G CA -1.182 43.920 45.100 0.003 0.000 0.856 119 G HN 0.097 nan 8.290 nan 0.000 0.538 120 P HA 0.519 nan 4.420 nan 0.000 0.274 120 P C 0.336 177.634 177.300 -0.003 0.000 1.237 120 P CA -0.489 62.611 63.100 -0.000 0.000 0.793 120 P CB 0.670 32.369 31.700 -0.001 0.000 0.977 121 I N -1.982 118.584 120.570 -0.006 0.000 2.385 121 I HA 0.470 4.640 4.170 -0.000 0.000 0.294 121 I C 0.371 176.476 176.117 -0.019 0.000 0.988 121 I CA -0.620 60.672 61.300 -0.013 0.000 1.265 121 I CB 0.832 38.822 38.000 -0.016 0.000 1.388 121 I HN 0.418 nan 8.210 nan 0.000 0.480 122 G N 4.925 113.711 108.800 -0.023 0.000 3.860 122 G HA2 0.230 4.190 3.960 -0.000 0.000 0.269 122 G HA3 0.230 4.190 3.960 -0.000 0.000 0.269 122 G C 0.383 175.259 174.900 -0.040 0.000 1.112 122 G CA -0.267 44.818 45.100 -0.025 0.000 1.674 122 G HN 0.910 nan 8.290 nan 0.000 0.628 123 S N 0.249 115.920 115.700 -0.048 0.000 2.498 123 S HA 0.185 4.655 4.470 -0.000 0.000 0.281 123 S C 0.931 175.498 174.600 -0.055 0.000 1.265 123 S CA -0.361 57.797 58.200 -0.071 0.000 1.071 123 S CB 1.424 64.579 63.200 -0.075 0.000 0.894 123 S HN 0.420 nan 8.310 nan 0.000 0.491 124 K N 2.016 122.379 120.400 -0.061 0.000 2.444 124 K HA 0.326 4.645 4.320 -0.000 0.000 0.193 124 K C 0.430 177.011 176.600 -0.032 0.000 1.024 124 K CA 0.344 56.609 56.287 -0.036 0.000 1.077 124 K CB 0.273 32.758 32.500 -0.024 0.000 0.833 124 K HN 0.800 nan 8.250 nan 0.000 0.517 125 A N 1.159 123.947 122.820 -0.054 0.000 2.612 125 A HA 0.647 4.967 4.320 -0.000 0.000 0.293 125 A C -1.300 176.251 177.584 -0.055 0.000 1.075 125 A CA -0.942 51.071 52.037 -0.039 0.000 0.680 125 A CB 1.350 20.342 19.000 -0.013 0.000 1.279 125 A HN 0.098 nan 8.150 nan 0.000 0.411 126 R N 0.129 120.610 120.500 -0.032 0.000 2.725 126 R HA 0.706 5.046 4.340 -0.000 0.000 0.277 126 R C -0.682 175.609 176.300 -0.014 0.000 0.987 126 R CA -0.808 55.274 56.100 -0.030 0.000 0.901 126 R CB 2.894 33.180 30.300 -0.023 0.000 1.207 126 R HN 0.820 nan 8.270 nan 0.000 0.463 127 R N 1.072 121.564 120.500 -0.012 0.000 2.854 127 R HA 0.417 4.757 4.340 -0.000 0.000 0.271 127 R C -0.818 175.482 176.300 0.001 0.000 0.994 127 R CA -0.855 55.246 56.100 0.001 0.000 0.945 127 R CB 2.171 32.478 30.300 0.012 0.000 1.194 127 R HN 0.528 nan 8.270 nan 0.000 0.476 128 R N 1.223 121.724 120.500 0.001 0.000 2.539 128 R HA 0.088 4.428 4.340 -0.000 0.000 0.275 128 R C 1.223 177.523 176.300 -0.001 0.000 1.077 128 R CA 0.068 56.165 56.100 -0.004 0.000 1.097 128 R CB 1.160 31.453 30.300 -0.011 0.000 1.018 128 R HN 0.594 nan 8.270 nan 0.000 0.483 129 V N 1.139 121.049 119.914 -0.007 0.000 2.788 129 V HA 0.223 4.343 4.120 -0.000 0.000 0.251 129 V C 0.794 176.861 176.094 -0.045 0.000 1.068 129 V CA 1.353 63.655 62.300 0.003 0.000 1.090 129 V CB -0.007 31.825 31.823 0.014 0.000 0.710 129 V HN 0.728 nan 8.190 nan 0.000 0.467 130 G N 1.797 110.543 108.800 -0.090 0.000 3.444 130 G HA2 0.606 4.565 3.960 -0.000 0.000 0.315 130 G HA3 0.606 4.565 3.960 -0.000 0.000 0.315 130 G C -0.533 174.321 174.900 -0.076 0.000 1.079 130 G CA -0.422 44.590 45.100 -0.145 0.000 1.500 130 G HN 0.418 nan 8.290 nan 0.000 0.518 131 L N 0.487 121.685 121.223 -0.042 0.000 2.334 131 L HA 0.528 4.868 4.340 -0.000 0.000 0.273 131 L C 0.401 177.266 176.870 -0.009 0.000 1.013 131 L CA -1.128 53.703 54.840 -0.016 0.000 0.816 131 L CB 2.474 44.535 42.059 0.003 0.000 1.278 131 L HN 0.185 nan 8.230 nan 0.000 0.431 132 K N 1.508 121.907 120.400 -0.000 0.000 2.218 132 K HA 0.523 4.843 4.320 -0.000 0.000 0.276 132 K C -0.158 176.449 176.600 0.011 0.000 1.022 132 K CA -0.429 55.864 56.287 0.010 0.000 0.946 132 K CB 1.323 33.833 32.500 0.017 0.000 1.000 132 K HN 0.713 nan 8.250 nan 0.000 0.468 133 A N 5.073 127.902 122.820 0.015 0.000 2.445 133 A HA 0.249 4.569 4.320 -0.000 0.000 0.242 133 A C -2.127 175.449 177.584 -0.014 0.000 1.075 133 A CA -1.130 50.911 52.037 0.006 0.000 0.777 133 A CB -0.515 18.492 19.000 0.011 0.000 1.013 133 A HN 0.609 nan 8.150 nan 0.000 0.493 134 P HA 0.128 nan 4.420 nan 0.000 0.264 134 P C 0.746 178.000 177.300 -0.077 0.000 1.179 134 P CA 0.715 63.765 63.100 -0.083 0.000 0.763 134 P CB 0.240 31.862 31.700 -0.129 0.000 0.806 135 G N 1.522 110.269 108.800 -0.090 0.000 2.486 135 G HA2 0.072 4.032 3.960 -0.000 0.000 0.272 135 G HA3 0.072 4.032 3.960 -0.000 0.000 0.272 135 G C 0.981 175.834 174.900 -0.078 0.000 1.426 135 G CA -0.489 44.573 45.100 -0.063 0.000 1.058 135 G HN 0.595 nan 8.290 nan 0.000 0.531 136 I N -0.904 119.635 120.570 -0.053 0.000 2.286 136 I HA -0.089 4.081 4.170 -0.000 0.000 0.245 136 I C 2.079 178.159 176.117 -0.060 0.000 1.104 136 I CA 0.942 62.215 61.300 -0.044 0.000 1.397 136 I CB 0.001 37.989 38.000 -0.020 0.000 1.072 136 I HN 0.204 nan 8.210 nan 0.000 0.417 137 I N 1.924 122.454 120.570 -0.066 0.000 2.439 137 I HA -0.043 4.127 4.170 -0.000 0.000 0.251 137 I C -0.468 175.576 176.117 -0.121 0.000 1.139 137 I CA 0.991 62.257 61.300 -0.056 0.000 1.438 137 I CB -2.931 35.062 38.000 -0.010 0.000 1.085 137 I HN 0.286 nan 8.210 nan 0.000 0.427 138 P HA 0.024 nan 4.420 nan 0.000 0.245 138 P C 0.474 177.550 177.300 -0.372 0.000 1.212 138 P CA 0.619 63.312 63.100 -0.678 0.000 0.774 138 P CB 0.109 31.034 31.700 -1.292 0.000 0.999 139 R N -0.123 120.267 120.500 -0.183 0.000 2.607 139 R HA 0.710 5.050 4.340 -0.000 0.000 0.261 139 R C -0.503 175.776 176.300 -0.036 0.000 1.051 139 R CA -0.902 55.141 56.100 -0.095 0.000 1.110 139 R CB 1.031 31.287 30.300 -0.073 0.000 1.158 139 R HN -0.070 nan 8.270 nan 0.000 0.543 140 I N -0.740 119.823 120.570 -0.013 0.000 2.722 140 I HA 0.136 4.306 4.170 -0.000 0.000 0.292 140 I C -0.661 175.459 176.117 0.006 0.000 1.267 140 I CA -0.029 61.274 61.300 0.006 0.000 1.036 140 I CB 2.381 40.395 38.000 0.023 0.000 1.281 140 I HN 0.500 nan 8.210 nan 0.000 0.423 141 S N 3.793 119.496 115.700 0.005 0.000 2.593 141 S HA 0.104 4.574 4.470 -0.000 0.000 0.303 141 S C -0.196 174.406 174.600 0.003 0.000 1.267 141 S CA -0.201 58.001 58.200 0.003 0.000 1.047 141 S CB 0.144 63.345 63.200 0.003 0.000 0.777 141 S HN 0.436 nan 8.310 nan 0.000 0.498 142 V N 5.617 125.531 119.914 0.000 0.000 2.439 142 V HA 0.193 4.313 4.120 -0.000 0.000 0.271 142 V C 1.096 177.183 176.094 -0.011 0.000 1.040 142 V CA 0.577 62.875 62.300 -0.003 0.000 1.002 142 V CB 0.653 32.473 31.823 -0.005 0.000 1.000 142 V HN 0.848 nan 8.190 nan 0.000 0.477 143 R N 1.840 122.329 120.500 -0.018 0.000 2.612 143 R HA 0.205 4.545 4.340 -0.000 0.000 0.260 143 R C 0.060 176.331 176.300 -0.048 0.000 0.943 143 R CA -0.250 55.834 56.100 -0.027 0.000 1.036 143 R CB 0.822 31.110 30.300 -0.019 0.000 1.520 143 R HN 0.685 nan 8.270 nan 0.000 0.563 144 E N 2.839 123.001 120.200 -0.063 0.000 2.259 144 E HA 0.153 4.503 4.350 -0.000 0.000 0.281 144 E C -2.494 174.033 176.600 -0.122 0.000 1.037 144 E CA -2.141 54.193 56.400 -0.110 0.000 0.854 144 E CB 0.782 30.387 29.700 -0.157 0.000 1.051 144 E HN -0.107 nan 8.360 nan 0.000 0.409 145 P HA -0.040 nan 4.420 nan 0.000 0.268 145 P C -0.549 176.647 177.300 -0.173 0.000 1.204 145 P CA 0.107 63.126 63.100 -0.134 0.000 0.768 145 P CB 0.445 32.067 31.700 -0.131 0.000 0.842 146 M N 3.472 123.001 119.600 -0.120 0.000 2.741 146 M HA 0.143 4.623 4.480 -0.000 0.000 0.283 146 M C -0.597 175.665 176.300 -0.063 0.000 1.176 146 M CA -0.658 54.576 55.300 -0.109 0.000 1.139 146 M CB -0.023 32.535 32.600 -0.069 0.000 1.234 146 M HN 0.289 nan 8.290 nan 0.000 0.497 147 Q N 1.511 121.271 119.800 -0.066 0.000 2.300 147 Q HA 0.081 4.421 4.340 -0.000 0.000 0.280 147 Q C 1.368 177.409 176.000 0.069 0.000 1.033 147 Q CA 0.432 56.251 55.803 0.026 0.000 0.903 147 Q CB 0.516 29.326 28.738 0.121 0.000 1.195 147 Q HN 0.719 nan 8.270 nan 0.000 0.386 148 T N -1.647 112.936 114.554 0.048 0.000 3.040 148 T HA 0.236 4.586 4.350 -0.000 0.000 0.252 148 T C 1.225 175.953 174.700 0.047 0.000 1.064 148 T CA 0.588 62.714 62.100 0.043 0.000 1.110 148 T CB 0.249 69.130 68.868 0.022 0.000 0.921 148 T HN 0.747 nan 8.240 nan 0.000 0.480 149 G N 1.648 110.477 108.800 0.048 0.000 2.217 149 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.246 149 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.246 149 G C 0.051 174.963 174.900 0.020 0.000 0.990 149 G CA 0.045 45.166 45.100 0.034 0.000 0.627 149 G HN 0.666 nan 8.290 nan 0.000 0.522 150 I N 1.609 122.189 120.570 0.016 0.000 2.396 150 I HA 0.216 4.386 4.170 -0.000 0.000 0.289 150 I C 1.675 177.798 176.117 0.011 0.000 1.056 150 I CA -0.453 60.852 61.300 0.008 0.000 1.365 150 I CB 1.180 39.181 38.000 0.003 0.000 1.407 150 I HN 0.039 nan 8.210 nan 0.000 0.509 151 K N 4.789 125.196 120.400 0.011 0.000 2.026 151 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 151 K C 2.076 178.685 176.600 0.014 0.000 1.048 151 K CA 1.559 57.855 56.287 0.016 0.000 0.929 151 K CB -0.191 32.321 32.500 0.018 0.000 0.713 151 K HN 0.798 nan 8.250 nan 0.000 0.439 152 A N 1.239 124.066 122.820 0.011 0.000 1.978 152 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 152 A C 2.380 179.973 177.584 0.015 0.000 1.170 152 A CA 1.467 53.511 52.037 0.013 0.000 0.636 152 A CB -0.549 18.458 19.000 0.013 0.000 0.810 152 A HN 0.080 nan 8.150 nan 0.000 0.448 153 V N 0.139 120.060 119.914 0.012 0.000 2.256 153 V HA -0.146 3.973 4.120 -0.000 0.000 0.240 153 V C 1.985 178.084 176.094 0.009 0.000 1.036 153 V CA 1.951 64.257 62.300 0.010 0.000 1.008 153 V CB -0.806 31.021 31.823 0.005 0.000 0.648 153 V HN 0.436 nan 8.190 nan 0.000 0.453 154 D N 0.332 120.738 120.400 0.011 0.000 2.311 154 D HA -0.123 4.517 4.640 -0.000 0.000 0.212 154 D C 2.231 178.537 176.300 0.010 0.000 0.972 154 D CA 1.662 55.668 54.000 0.010 0.000 0.887 154 D CB 0.006 40.816 40.800 0.017 0.000 0.915 154 D HN 0.612 nan 8.370 nan 0.000 0.497 155 S N -1.147 114.561 115.700 0.013 0.000 2.620 155 S HA 0.103 4.573 4.470 -0.000 0.000 0.234 155 S C 1.737 176.345 174.600 0.014 0.000 1.064 155 S CA -0.238 57.971 58.200 0.015 0.000 0.920 155 S CB -0.149 63.062 63.200 0.018 0.000 0.826 155 S HN 0.165 nan 8.310 nan 0.000 0.557 156 L N 1.482 122.715 121.223 0.017 0.000 2.554 156 L HA 0.408 4.748 4.340 -0.000 0.000 0.225 156 L C -0.137 176.746 176.870 0.022 0.000 1.104 156 L CA 0.104 54.956 54.840 0.021 0.000 0.866 156 L CB 0.886 42.960 42.059 0.026 0.000 1.047 156 L HN 0.246 nan 8.230 nan 0.000 0.468 157 V N -0.442 119.482 119.914 0.016 0.000 2.793 157 V HA 0.186 4.306 4.120 -0.000 0.000 0.361 157 V C -2.449 173.646 176.094 0.002 0.000 1.298 157 V CA -1.066 61.242 62.300 0.012 0.000 1.343 157 V CB 0.243 32.074 31.823 0.012 0.000 1.410 157 V HN 0.003 nan 8.190 nan 0.000 0.656 158 P HA 0.095 nan 4.420 nan 0.000 0.261 158 P C -0.596 176.697 177.300 -0.012 0.000 1.173 158 P CA 0.579 63.676 63.100 -0.006 0.000 0.760 158 P CB 1.155 32.851 31.700 -0.007 0.000 0.783 159 I N 2.477 123.036 120.570 -0.018 0.000 2.460 159 I HA 0.534 4.704 4.170 -0.000 0.000 0.298 159 I C 1.102 177.200 176.117 -0.032 0.000 0.989 159 I CA -0.746 60.540 61.300 -0.023 0.000 1.173 159 I CB 1.097 39.084 38.000 -0.023 0.000 1.338 159 I HN 0.367 nan 8.210 nan 0.000 0.456 160 G N 4.553 113.335 108.800 -0.030 0.000 2.473 160 G HA2 0.562 4.522 3.960 -0.000 0.000 0.321 160 G HA3 0.562 4.522 3.960 -0.000 0.000 0.321 160 G C -0.512 174.367 174.900 -0.034 0.000 1.200 160 G CA -0.951 44.125 45.100 -0.040 0.000 0.963 160 G HN 0.496 nan 8.290 nan 0.000 0.483 161 R N 0.056 120.528 120.500 -0.047 0.000 2.421 161 R HA 0.384 4.724 4.340 -0.000 0.000 0.305 161 R C 1.202 177.512 176.300 0.017 0.000 1.039 161 R CA 1.193 57.282 56.100 -0.018 0.000 1.003 161 R CB 0.545 30.819 30.300 -0.043 0.000 0.959 161 R HN 1.133 nan 8.270 nan 0.000 0.427 162 G N 1.840 110.656 108.800 0.027 0.000 2.238 162 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 162 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 162 G C 0.232 175.141 174.900 0.014 0.000 0.996 162 G CA -0.031 45.087 45.100 0.029 0.000 0.632 162 G HN 0.596 nan 8.290 nan 0.000 0.503 163 Q N 0.284 120.086 119.800 0.004 0.000 2.492 163 Q HA 0.595 4.935 4.340 -0.000 0.000 0.238 163 Q C -0.145 175.854 176.000 -0.001 0.000 1.045 163 Q CA 0.013 55.815 55.803 -0.002 0.000 0.934 163 Q CB 0.311 29.043 28.738 -0.010 0.000 1.276 163 Q HN 0.312 nan 8.270 nan 0.000 0.521 164 R N 2.103 122.599 120.500 -0.006 0.000 2.422 164 R HA 0.298 4.638 4.340 -0.000 0.000 0.307 164 R C -1.552 174.733 176.300 -0.026 0.000 1.004 164 R CA -0.526 55.569 56.100 -0.009 0.000 0.882 164 R CB 1.556 31.852 30.300 -0.007 0.000 1.164 164 R HN 0.480 nan 8.270 nan 0.000 0.489 165 E N 2.643 122.822 120.200 -0.034 0.000 2.165 165 E HA 0.325 4.675 4.350 -0.000 0.000 0.266 165 E C -1.343 175.212 176.600 -0.076 0.000 0.889 165 E CA -0.927 55.441 56.400 -0.055 0.000 0.756 165 E CB 0.986 30.657 29.700 -0.047 0.000 1.131 165 E HN 0.373 nan 8.360 nan 0.000 0.411 166 L N 5.450 126.605 121.223 -0.114 0.000 2.349 166 L HA 0.480 4.820 4.340 -0.000 0.000 0.275 166 L C -0.849 175.921 176.870 -0.167 0.000 1.115 166 L CA -0.053 54.705 54.840 -0.137 0.000 0.820 166 L CB 0.670 42.630 42.059 -0.165 0.000 1.135 166 L HN 0.653 nan 8.230 nan 0.000 0.445 167 I N 6.962 127.458 120.570 -0.123 0.000 2.297 167 I HA 0.377 4.547 4.170 -0.000 0.000 0.291 167 I C -0.299 175.752 176.117 -0.110 0.000 1.033 167 I CA -0.161 61.074 61.300 -0.108 0.000 1.253 167 I CB 0.972 38.940 38.000 -0.054 0.000 1.396 167 I HN 0.583 nan 8.210 nan 0.000 0.476 168 I N 5.311 125.798 120.570 -0.138 0.000 2.686 168 I HA 0.877 5.047 4.170 -0.000 0.000 0.295 168 I C -0.386 175.744 176.117 0.021 0.000 1.114 168 I CA -0.033 61.221 61.300 -0.077 0.000 1.038 168 I CB 2.188 40.110 38.000 -0.130 0.000 1.238 168 I HN 0.687 nan 8.210 nan 0.000 0.420 169 G N 4.799 113.633 108.800 0.057 0.000 2.315 169 G HA2 0.181 4.141 3.960 -0.000 0.000 0.294 169 G HA3 0.181 4.141 3.960 -0.000 0.000 0.294 169 G C -2.026 172.907 174.900 0.054 0.000 1.300 169 G CA -0.749 44.401 45.100 0.083 0.000 0.843 169 G HN 0.503 nan 8.290 nan 0.000 0.527 170 D N 0.381 120.810 120.400 0.048 0.000 2.377 170 D HA 0.366 5.006 4.640 -0.000 0.000 0.245 170 D C 1.149 177.453 176.300 0.007 0.000 1.196 170 D CA -0.187 53.833 54.000 0.033 0.000 0.962 170 D CB 0.529 41.350 40.800 0.034 0.000 1.127 170 D HN 0.677 nan 8.370 nan 0.000 0.471 171 R N 0.714 121.218 120.500 0.006 0.000 2.583 171 R HA -0.060 4.280 4.340 -0.000 0.000 0.274 171 R C -0.080 176.190 176.300 -0.050 0.000 0.998 171 R CA -0.025 56.070 56.100 -0.009 0.000 1.081 171 R CB 0.056 30.358 30.300 0.003 0.000 0.940 171 R HN 0.243 nan 8.270 nan 0.000 0.413 172 Q N 0.024 119.781 119.800 -0.071 0.000 2.494 172 Q HA -0.168 4.172 4.340 -0.000 0.000 0.272 172 Q C 0.536 176.356 176.000 -0.300 0.000 1.145 172 Q CA 1.806 57.519 55.803 -0.150 0.000 0.943 172 Q CB -1.725 26.932 28.738 -0.134 0.000 1.338 172 Q HN 1.016 nan 8.270 nan 0.000 0.492 173 T N -5.380 109.054 114.554 -0.199 0.000 3.051 173 T HA 0.381 4.731 4.350 -0.000 0.000 0.255 173 T C 1.272 175.918 174.700 -0.090 0.000 1.085 173 T CA 1.046 63.022 62.100 -0.207 0.000 1.109 173 T CB 0.843 69.681 68.868 -0.049 0.000 0.921 173 T HN 0.751 nan 8.240 nan 0.000 0.488 174 G N 1.140 109.913 108.800 -0.045 0.000 2.174 174 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.140 174 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.140 174 G C 0.659 175.576 174.900 0.028 0.000 1.031 174 G CA 0.070 45.194 45.100 0.041 0.000 0.728 174 G HN 0.438 nan 8.290 nan 0.000 0.496 175 K N 0.044 120.453 120.400 0.014 0.000 2.009 175 K HA -0.054 4.266 4.320 -0.000 0.000 0.210 175 K C 2.529 179.148 176.600 0.031 0.000 1.049 175 K CA 1.982 58.280 56.287 0.017 0.000 0.929 175 K CB -0.334 32.172 32.500 0.010 0.000 0.714 175 K HN 0.259 nan 8.250 nan 0.000 0.440 176 T N 0.964 115.547 114.554 0.047 0.000 2.788 176 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 176 T C 2.064 176.799 174.700 0.058 0.000 1.044 176 T CA 1.527 63.677 62.100 0.083 0.000 1.139 176 T CB -0.216 68.712 68.868 0.101 0.000 0.867 176 T HN 0.155 nan 8.240 nan 0.000 0.454 177 S N 1.357 117.072 115.700 0.024 0.000 2.370 177 S HA -0.071 4.399 4.470 -0.000 0.000 0.226 177 S C 2.045 176.641 174.600 -0.007 0.000 1.033 177 S CA 0.785 58.976 58.200 -0.016 0.000 1.011 177 S CB -0.390 62.769 63.200 -0.068 0.000 0.852 177 S HN 0.353 nan 8.310 nan 0.000 0.457 178 I N 2.223 122.796 120.570 0.006 0.000 2.118 178 I HA -0.238 3.932 4.170 -0.000 0.000 0.241 178 I C 2.763 178.894 176.117 0.024 0.000 1.070 178 I CA 1.549 62.854 61.300 0.008 0.000 1.327 178 I CB -1.911 36.092 38.000 0.006 0.000 1.034 178 I HN 0.254 nan 8.210 nan 0.000 0.405 179 A N 1.702 124.549 122.820 0.045 0.000 1.841 179 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 179 A C 2.268 179.895 177.584 0.071 0.000 1.199 179 A CA 1.671 53.752 52.037 0.074 0.000 0.621 179 A CB -0.829 18.256 19.000 0.141 0.000 0.835 179 A HN 0.296 nan 8.150 nan 0.000 0.445 180 I N 0.565 121.168 120.570 0.056 0.000 2.151 180 I HA -0.252 3.917 4.170 -0.000 0.000 0.243 180 I C 1.898 178.048 176.117 0.054 0.000 1.080 180 I CA 1.938 63.257 61.300 0.031 0.000 1.339 180 I CB -1.671 36.347 38.000 0.030 0.000 1.039 180 I HN 0.309 nan 8.210 nan 0.000 0.409 181 D N 0.402 120.828 120.400 0.044 0.000 2.144 181 D HA -0.121 4.519 4.640 -0.000 0.000 0.199 181 D C 2.193 178.522 176.300 0.047 0.000 0.984 181 D CA 1.390 55.415 54.000 0.042 0.000 0.834 181 D CB -0.144 40.659 40.800 0.005 0.000 0.955 181 D HN 0.287 nan 8.370 nan 0.000 0.465 182 T N 0.799 115.381 114.554 0.047 0.000 2.746 182 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 182 T C 2.203 176.950 174.700 0.079 0.000 1.039 182 T CA 0.562 62.694 62.100 0.054 0.000 1.142 182 T CB -0.128 68.767 68.868 0.044 0.000 0.866 182 T HN 0.167 nan 8.240 nan 0.000 0.444 183 I N 0.740 121.365 120.570 0.092 0.000 2.252 183 I HA -0.139 4.031 4.170 -0.000 0.000 0.245 183 I C 2.144 178.381 176.117 0.201 0.000 1.102 183 I CA 0.834 62.223 61.300 0.148 0.000 1.385 183 I CB -0.308 37.756 38.000 0.107 0.000 1.064 183 I HN 0.182 nan 8.210 nan 0.000 0.414 184 I N 0.841 121.484 120.570 0.122 0.000 2.208 184 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 184 I C 2.271 178.442 176.117 0.090 0.000 1.097 184 I CA 1.609 62.978 61.300 0.115 0.000 1.363 184 I CB -1.790 36.253 38.000 0.072 0.000 1.051 184 I HN 0.325 nan 8.210 nan 0.000 0.413 185 N N 0.977 119.704 118.700 0.044 0.000 2.192 185 N HA -0.221 4.519 4.740 -0.000 0.000 0.188 185 N C 1.692 177.122 175.510 -0.133 0.000 1.013 185 N CA 1.160 54.192 53.050 -0.030 0.000 0.863 185 N CB 0.008 38.509 38.487 0.023 0.000 0.990 185 N HN 0.281 nan 8.380 nan 0.000 0.430 186 Q N 0.431 120.197 119.800 -0.057 0.000 2.364 186 Q HA -0.112 4.228 4.340 -0.000 0.000 0.209 186 Q C 1.703 177.438 176.000 -0.441 0.000 0.977 186 Q CA 0.648 56.349 55.803 -0.170 0.000 0.885 186 Q CB -0.271 28.347 28.738 -0.200 0.000 0.941 186 Q HN 0.527 nan 8.270 nan 0.000 0.464 187 K N 1.235 121.449 120.400 -0.310 0.000 2.074 187 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 187 K C 1.983 178.379 176.600 -0.340 0.000 1.048 187 K CA 1.319 57.468 56.287 -0.230 0.000 0.926 187 K CB 0.060 32.560 32.500 0.001 0.000 0.713 187 K HN 0.075 nan 8.250 nan 0.000 0.444 188 R N -0.594 119.596 120.500 -0.516 0.000 2.113 188 R HA -0.187 4.152 4.340 -0.000 0.000 0.244 188 R C 2.211 178.159 176.300 -0.587 0.000 1.142 188 R CA 2.386 58.108 56.100 -0.630 0.000 0.953 188 R CB -0.375 29.319 30.300 -1.010 0.000 0.860 188 R HN 0.226 nan 8.270 nan 0.000 0.438 189 F N 0.057 119.905 119.950 -0.169 0.000 2.219 189 F HA 0.029 4.556 4.527 -0.000 0.000 0.294 189 F C 1.946 177.624 175.800 -0.202 0.000 1.086 189 F CA 0.445 58.339 58.000 -0.176 0.000 1.330 189 F CB -0.637 38.245 39.000 -0.197 0.000 1.047 189 F HN -0.071 nan 8.300 nan 0.000 0.495 190 N N 0.172 118.761 118.700 -0.184 0.000 2.453 190 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 190 N C 0.670 176.109 175.510 -0.119 0.000 1.041 190 N CA 1.038 53.945 53.050 -0.238 0.000 0.900 190 N CB -0.346 37.832 38.487 -0.515 0.000 0.961 190 N HN 0.280 nan 8.380 nan 0.000 0.443 191 D N -0.413 119.922 120.400 -0.108 0.000 2.369 191 D HA 0.132 4.771 4.640 -0.000 0.000 0.211 191 D C 1.093 177.369 176.300 -0.041 0.000 1.077 191 D CA 0.066 54.033 54.000 -0.056 0.000 0.842 191 D CB 0.260 41.025 40.800 -0.059 0.000 0.947 191 D HN 0.115 nan 8.370 nan 0.000 0.509 192 G N -0.249 108.529 108.800 -0.037 0.000 2.543 192 G HA2 0.306 4.266 3.960 -0.000 0.000 0.290 192 G HA3 0.306 4.266 3.960 -0.000 0.000 0.290 192 G C 1.073 175.975 174.900 0.004 0.000 1.310 192 G CA 0.205 45.299 45.100 -0.009 0.000 1.025 192 G HN 0.119 nan 8.290 nan 0.000 0.502 193 T N -3.226 111.335 114.554 0.011 0.000 2.990 193 T HA 0.100 4.450 4.350 -0.000 0.000 0.250 193 T C 0.544 175.254 174.700 0.017 0.000 1.041 193 T CA 0.253 62.360 62.100 0.013 0.000 1.010 193 T CB 0.266 69.139 68.868 0.009 0.000 1.003 193 T HN 0.306 nan 8.240 nan 0.000 0.499 194 D N 2.267 122.677 120.400 0.017 0.000 2.383 194 D HA 0.135 4.775 4.640 -0.000 0.000 0.245 194 D C 0.756 177.064 176.300 0.012 0.000 1.263 194 D CA 0.017 54.023 54.000 0.011 0.000 0.936 194 D CB 0.820 41.620 40.800 0.001 0.000 1.053 194 D HN 0.416 nan 8.370 nan 0.000 0.507 195 E N 1.982 122.198 120.200 0.026 0.000 2.409 195 E HA -0.110 4.240 4.350 -0.000 0.000 0.198 195 E C 1.299 177.932 176.600 0.055 0.000 1.024 195 E CA 0.605 57.033 56.400 0.046 0.000 0.861 195 E CB 0.431 30.174 29.700 0.071 0.000 0.788 195 E HN 0.388 nan 8.360 nan 0.000 0.521 196 K N 0.326 120.743 120.400 0.028 0.000 2.365 196 K HA 0.009 4.329 4.320 -0.000 0.000 0.197 196 K C 1.513 178.049 176.600 -0.108 0.000 1.042 196 K CA 0.509 56.812 56.287 0.027 0.000 0.987 196 K CB 0.263 32.776 32.500 0.022 0.000 0.779 196 K HN -0.075 nan 8.250 nan 0.000 0.484 197 K N 0.731 121.049 120.400 -0.138 0.000 2.426 197 K HA 0.050 4.370 4.320 -0.000 0.000 0.193 197 K C 0.111 176.563 176.600 -0.248 0.000 1.028 197 K CA 0.181 56.301 56.287 -0.279 0.000 1.047 197 K CB 0.361 32.687 32.500 -0.290 0.000 0.821 197 K HN 0.026 nan 8.250 nan 0.000 0.513 198 K N 1.049 121.369 120.400 -0.134 0.000 2.344 198 K HA 0.058 4.378 4.320 -0.000 0.000 0.260 198 K C -0.451 175.982 176.600 -0.277 0.000 0.988 198 K CA 0.170 56.333 56.287 -0.206 0.000 0.909 198 K CB 0.352 32.712 32.500 -0.232 0.000 0.968 198 K HN -0.143 nan 8.250 nan 0.000 0.505 199 L N 2.487 123.431 121.223 -0.465 0.000 2.676 199 L HA 0.217 4.557 4.340 -0.000 0.000 0.262 199 L C -1.779 174.807 176.870 -0.474 0.000 0.965 199 L CA -0.246 54.382 54.840 -0.353 0.000 0.920 199 L CB 0.745 42.700 42.059 -0.173 0.000 1.260 199 L HN 0.424 nan 8.230 nan 0.000 0.422 200 Y N 3.075 123.252 120.300 -0.206 0.000 2.377 200 Y HA 0.427 4.977 4.550 -0.000 0.000 0.330 200 Y C 0.679 176.486 175.900 -0.154 0.000 1.108 200 Y CA -0.014 57.915 58.100 -0.285 0.000 1.308 200 Y CB 0.732 38.666 38.460 -0.877 0.000 1.216 200 Y HN 0.497 nan 8.280 nan 0.000 0.518 201 C N 4.819 124.203 119.300 0.139 0.000 2.376 201 C HA 0.675 5.135 4.460 -0.000 0.000 0.335 201 C C -0.136 174.913 174.990 0.097 0.000 1.229 201 C CA -0.932 58.158 59.018 0.119 0.000 1.867 201 C CB -0.167 27.688 27.740 0.191 0.000 2.319 201 C HN 0.579 nan 8.230 nan 0.000 0.515 202 I N 2.804 123.414 120.570 0.067 0.000 2.418 202 I HA 0.303 4.473 4.170 -0.000 0.000 0.287 202 I C -0.684 175.456 176.117 0.038 0.000 1.008 202 I CA -0.287 61.050 61.300 0.061 0.000 1.104 202 I CB 0.827 38.853 38.000 0.043 0.000 1.264 202 I HN 0.620 nan 8.210 nan 0.000 0.438 203 Y N 6.840 127.116 120.300 -0.040 0.000 2.328 203 Y HA 0.706 5.256 4.550 -0.000 0.000 0.333 203 Y C -1.033 174.845 175.900 -0.038 0.000 0.958 203 Y CA -0.868 57.199 58.100 -0.054 0.000 1.167 203 Y CB 1.244 39.684 38.460 -0.034 0.000 1.151 203 Y HN 0.302 nan 8.280 nan 0.000 0.470 204 V N 6.540 126.123 119.914 -0.552 0.000 2.347 204 V HA 0.683 4.802 4.120 -0.000 0.000 0.280 204 V C -0.024 175.784 176.094 -0.477 0.000 1.021 204 V CA -0.604 61.496 62.300 -0.334 0.000 0.847 204 V CB 0.824 32.549 31.823 -0.163 0.000 0.990 204 V HN 0.921 nan 8.190 nan 0.000 0.444 205 A N 6.602 129.304 122.820 -0.195 0.000 2.276 205 A HA 0.887 5.207 4.320 -0.000 0.000 0.316 205 A C -0.778 176.792 177.584 -0.023 0.000 1.229 205 A CA -0.333 51.663 52.037 -0.068 0.000 0.851 205 A CB 0.327 19.420 19.000 0.154 0.000 1.165 205 A HN 0.712 nan 8.150 nan 0.000 0.513 206 I N 1.703 122.260 120.570 -0.021 0.000 2.447 206 I HA 0.573 4.743 4.170 -0.000 0.000 0.287 206 I C 1.090 177.221 176.117 0.024 0.000 1.023 206 I CA 0.574 61.877 61.300 0.004 0.000 1.083 206 I CB 1.877 39.873 38.000 -0.007 0.000 1.245 206 I HN 1.040 nan 8.210 nan 0.000 0.434 207 G N 3.610 112.430 108.800 0.034 0.000 2.189 207 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.267 207 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.267 207 G C 0.426 175.350 174.900 0.040 0.000 0.975 207 G CA 0.101 45.224 45.100 0.038 0.000 0.644 207 G HN 0.603 nan 8.290 nan 0.000 0.537 208 Q N 0.302 120.130 119.800 0.047 0.000 2.471 208 Q HA 0.441 4.781 4.340 -0.000 0.000 0.223 208 Q C 0.817 176.846 176.000 0.048 0.000 1.045 208 Q CA 0.176 56.012 55.803 0.055 0.000 0.956 208 Q CB 0.463 29.248 28.738 0.079 0.000 1.249 208 Q HN 0.648 nan 8.270 nan 0.000 0.549 209 K N 0.175 120.602 120.400 0.045 0.000 2.144 209 K HA 0.248 4.568 4.320 -0.000 0.000 0.270 209 K C 0.372 176.995 176.600 0.039 0.000 1.005 209 K CA -0.573 55.736 56.287 0.037 0.000 0.932 209 K CB 1.155 33.673 32.500 0.030 0.000 1.021 209 K HN 0.428 nan 8.250 nan 0.000 0.462 210 R N 0.640 121.160 120.500 0.033 0.000 2.103 210 R HA -0.183 4.157 4.340 -0.000 0.000 0.242 210 R C 2.182 178.497 176.300 0.024 0.000 1.142 210 R CA 2.411 58.529 56.100 0.030 0.000 0.960 210 R CB -0.401 29.913 30.300 0.025 0.000 0.858 210 R HN 0.906 nan 8.270 nan 0.000 0.439 211 S N -0.538 115.174 115.700 0.020 0.000 2.402 211 S HA -0.089 4.381 4.470 -0.000 0.000 0.229 211 S C 1.919 176.528 174.600 0.014 0.000 1.021 211 S CA 1.517 59.726 58.200 0.014 0.000 0.974 211 S CB -0.302 62.906 63.200 0.013 0.000 0.800 211 S HN 0.213 nan 8.310 nan 0.000 0.484 212 T N 2.484 117.052 114.554 0.023 0.000 2.777 212 T HA 0.002 4.352 4.350 -0.000 0.000 0.266 212 T C 1.927 176.639 174.700 0.020 0.000 1.040 212 T CA 1.321 63.436 62.100 0.026 0.000 1.141 212 T CB -0.482 68.410 68.868 0.040 0.000 0.868 212 T HN 0.294 nan 8.240 nan 0.000 0.444 213 V N 1.841 121.775 119.914 0.033 0.000 2.343 213 V HA -0.147 3.973 4.120 -0.000 0.000 0.247 213 V C 2.906 178.995 176.094 -0.007 0.000 1.051 213 V CA 1.591 63.910 62.300 0.031 0.000 1.036 213 V CB -1.302 30.560 31.823 0.064 0.000 0.654 213 V HN 0.503 nan 8.190 nan 0.000 0.451 214 A N -0.665 122.154 122.820 -0.002 0.000 1.908 214 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 214 A C 2.225 179.790 177.584 -0.030 0.000 1.181 214 A CA 1.840 53.868 52.037 -0.014 0.000 0.627 214 A CB -0.495 18.502 19.000 -0.006 0.000 0.818 214 A HN 0.530 nan 8.150 nan 0.000 0.445 215 Q N -0.860 118.925 119.800 -0.026 0.000 2.119 215 Q HA -0.114 4.226 4.340 -0.000 0.000 0.201 215 Q C 2.145 178.107 176.000 -0.062 0.000 0.972 215 Q CA 0.991 56.772 55.803 -0.036 0.000 0.847 215 Q CB -0.541 28.187 28.738 -0.017 0.000 0.903 215 Q HN 0.618 nan 8.270 nan 0.000 0.433 216 L N 1.219 122.397 121.223 -0.075 0.000 1.970 216 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 216 L C 2.434 179.212 176.870 -0.153 0.000 1.071 216 L CA 2.118 56.875 54.840 -0.138 0.000 0.751 216 L CB -1.290 40.647 42.059 -0.204 0.000 0.889 216 L HN 0.189 nan 8.230 nan 0.000 0.432 217 V N -1.706 118.133 119.914 -0.126 0.000 2.594 217 V HA -0.246 3.873 4.120 -0.000 0.000 0.253 217 V C 2.621 178.654 176.094 -0.102 0.000 1.069 217 V CA 2.042 64.275 62.300 -0.112 0.000 1.082 217 V CB -1.040 30.741 31.823 -0.070 0.000 0.680 217 V HN 0.526 nan 8.190 nan 0.000 0.469 218 K N 0.839 121.184 120.400 -0.092 0.000 2.025 218 K HA -0.225 4.095 4.320 -0.000 0.000 0.207 218 K C 2.468 179.000 176.600 -0.115 0.000 1.049 218 K CA 1.709 57.942 56.287 -0.089 0.000 0.933 218 K CB -0.228 32.226 32.500 -0.078 0.000 0.714 218 K HN 0.458 nan 8.250 nan 0.000 0.438 219 R N 1.227 121.646 120.500 -0.135 0.000 2.096 219 R HA -0.064 4.276 4.340 -0.000 0.000 0.235 219 R C 2.056 178.267 176.300 -0.148 0.000 1.127 219 R CA 1.476 57.471 56.100 -0.176 0.000 0.968 219 R CB -0.603 29.588 30.300 -0.182 0.000 0.861 219 R HN 0.292 nan 8.270 nan 0.000 0.440 220 L N -0.540 120.601 121.223 -0.137 0.000 2.109 220 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 220 L C 2.149 178.934 176.870 -0.141 0.000 1.086 220 L CA 1.704 56.459 54.840 -0.142 0.000 0.760 220 L CB -0.627 41.331 42.059 -0.168 0.000 0.910 220 L HN 0.250 nan 8.230 nan 0.000 0.437 221 T N -0.925 113.555 114.554 -0.124 0.000 2.777 221 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 221 T C 1.426 176.070 174.700 -0.093 0.000 1.040 221 T CA 1.399 63.436 62.100 -0.105 0.000 1.141 221 T CB -0.238 68.579 68.868 -0.085 0.000 0.868 221 T HN 0.315 nan 8.240 nan 0.000 0.444 222 D N 1.738 122.079 120.400 -0.100 0.000 2.144 222 D HA -0.006 4.634 4.640 -0.000 0.000 0.199 222 D C 2.091 178.341 176.300 -0.083 0.000 0.984 222 D CA 1.082 55.027 54.000 -0.092 0.000 0.834 222 D CB -0.315 40.418 40.800 -0.112 0.000 0.955 222 D HN 0.444 nan 8.370 nan 0.000 0.465 223 A N 0.377 123.143 122.820 -0.089 0.000 2.238 223 A HA -0.017 4.303 4.320 -0.000 0.000 0.208 223 A C 0.537 178.092 177.584 -0.048 0.000 1.177 223 A CA 0.684 52.685 52.037 -0.060 0.000 0.804 223 A CB -0.063 18.910 19.000 -0.045 0.000 0.823 223 A HN 0.087 nan 8.150 nan 0.000 0.482 224 D N -3.332 117.025 120.400 -0.071 0.000 2.907 224 D HA -0.196 4.444 4.640 -0.000 0.000 0.226 224 D C 0.756 176.990 176.300 -0.109 0.000 1.141 224 D CA 1.120 55.081 54.000 -0.066 0.000 0.779 224 D CB -1.322 39.465 40.800 -0.023 0.000 1.095 224 D HN 0.497 nan 8.370 nan 0.000 0.430 225 A N -0.646 122.035 122.820 -0.233 0.000 2.063 225 A HA 0.105 4.425 4.320 -0.000 0.000 0.211 225 A C 2.149 179.231 177.584 -0.837 0.000 1.177 225 A CA 0.752 52.410 52.037 -0.632 0.000 0.759 225 A CB -0.109 18.671 19.000 -0.367 0.000 0.857 225 A HN 0.298 nan 8.150 nan 0.000 0.468 226 M N 1.258 120.615 119.600 -0.405 0.000 2.195 226 M HA -0.221 4.259 4.480 -0.000 0.000 0.260 226 M C 2.070 178.206 176.300 -0.274 0.000 1.066 226 M CA 2.061 57.186 55.300 -0.292 0.000 1.089 226 M CB -1.013 31.492 32.600 -0.157 0.000 1.377 226 M HN 0.725 nan 8.290 nan 0.000 0.411 227 K N 0.519 120.768 120.400 -0.251 0.000 2.218 227 K HA -0.198 4.122 4.320 -0.000 0.000 0.205 227 K C 0.827 177.440 176.600 0.021 0.000 1.046 227 K CA 1.804 58.047 56.287 -0.073 0.000 0.933 227 K CB -0.607 31.904 32.500 0.018 0.000 0.728 227 K HN 0.538 nan 8.250 nan 0.000 0.454 228 Y N -0.624 119.702 120.300 0.043 0.000 2.706 228 Y HA 0.479 5.028 4.550 -0.000 0.000 0.255 228 Y C -0.569 175.369 175.900 0.063 0.000 1.163 228 Y CA -1.110 57.040 58.100 0.084 0.000 1.174 228 Y CB 0.105 38.575 38.460 0.017 0.000 1.200 228 Y HN -0.215 nan 8.280 nan 0.000 0.544 229 T N 2.579 117.091 114.554 -0.070 0.000 2.863 229 T HA 0.633 4.983 4.350 -0.000 0.000 0.285 229 T C -0.529 174.185 174.700 0.024 0.000 1.009 229 T CA -0.439 61.648 62.100 -0.022 0.000 0.989 229 T CB 1.908 70.694 68.868 -0.137 0.000 1.004 229 T HN 0.159 nan 8.240 nan 0.000 0.455 230 I N 2.179 122.792 120.570 0.072 0.000 2.404 230 I HA 0.490 4.660 4.170 -0.000 0.000 0.293 230 I C -0.605 175.564 176.117 0.086 0.000 0.992 230 I CA -1.094 60.253 61.300 0.079 0.000 1.149 230 I CB 1.871 39.939 38.000 0.113 0.000 1.315 230 I HN 0.232 nan 8.210 nan 0.000 0.446 231 V N 7.090 127.051 119.914 0.079 0.000 2.334 231 V HA 0.299 4.419 4.120 -0.000 0.000 0.281 231 V C -0.037 176.115 176.094 0.097 0.000 1.016 231 V CA -0.656 61.717 62.300 0.121 0.000 0.832 231 V CB 1.719 33.603 31.823 0.102 0.000 0.999 231 V HN 0.398 nan 8.190 nan 0.000 0.439 232 V N 4.467 124.433 119.914 0.087 0.000 2.370 232 V HA 0.513 4.633 4.120 -0.000 0.000 0.279 232 V C 0.293 176.423 176.094 0.059 0.000 1.029 232 V CA -0.010 62.325 62.300 0.059 0.000 0.870 232 V CB 1.678 33.525 31.823 0.040 0.000 0.984 232 V HN 0.857 nan 8.190 nan 0.000 0.451 233 S N 4.414 120.151 115.700 0.062 0.000 2.561 233 S HA 0.790 5.260 4.470 -0.000 0.000 0.303 233 S C -0.342 174.288 174.600 0.050 0.000 1.110 233 S CA -0.151 58.088 58.200 0.063 0.000 1.034 233 S CB 1.415 64.663 63.200 0.080 0.000 1.010 233 S HN 1.062 nan 8.310 nan 0.000 0.482 234 A N 4.369 127.214 122.820 0.041 0.000 2.709 234 A HA 0.598 4.918 4.320 -0.000 0.000 0.332 234 A C 0.457 178.063 177.584 0.036 0.000 1.241 234 A CA -0.646 51.413 52.037 0.038 0.000 0.782 234 A CB -0.139 18.881 19.000 0.034 0.000 1.109 234 A HN 0.918 nan 8.150 nan 0.000 0.472 235 T N -1.131 113.446 114.554 0.038 0.000 2.732 235 T HA 0.493 4.843 4.350 -0.000 0.000 0.287 235 T C 1.613 176.331 174.700 0.031 0.000 0.993 235 T CA 0.053 62.176 62.100 0.038 0.000 0.966 235 T CB 0.887 69.778 68.868 0.039 0.000 1.047 235 T HN 1.072 nan 8.240 nan 0.000 0.527 236 A N 0.700 123.538 122.820 0.031 0.000 2.032 236 A HA -0.074 4.245 4.320 -0.000 0.000 0.221 236 A C 2.376 179.972 177.584 0.020 0.000 1.165 236 A CA 1.948 54.001 52.037 0.026 0.000 0.645 236 A CB -1.260 17.756 19.000 0.027 0.000 0.807 236 A HN 1.104 nan 8.150 nan 0.000 0.453 237 S N -0.996 114.716 115.700 0.019 0.000 2.540 237 S HA 0.127 4.597 4.470 -0.000 0.000 0.218 237 S C -0.152 174.456 174.600 0.012 0.000 0.977 237 S CA -0.387 57.821 58.200 0.014 0.000 0.918 237 S CB -0.105 63.103 63.200 0.014 0.000 0.806 237 S HN 0.356 nan 8.310 nan 0.000 0.496 238 D N 2.999 123.408 120.400 0.015 0.000 2.382 238 D HA 0.505 5.144 4.640 -0.000 0.000 0.245 238 D C 0.397 176.693 176.300 -0.007 0.000 1.120 238 D CA 0.220 54.227 54.000 0.011 0.000 0.890 238 D CB 1.371 42.182 40.800 0.019 0.000 1.201 238 D HN 0.455 nan 8.370 nan 0.000 0.433 239 A N 1.730 124.535 122.820 -0.025 0.000 2.483 239 A HA 0.352 4.672 4.320 -0.000 0.000 0.238 239 A C 1.466 178.999 177.584 -0.086 0.000 1.070 239 A CA 0.386 52.389 52.037 -0.056 0.000 0.770 239 A CB 0.287 19.247 19.000 -0.067 0.000 1.008 239 A HN 0.639 nan 8.150 nan 0.000 0.497 240 A N 3.324 126.101 122.820 -0.071 0.000 1.896 240 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 240 A C -0.017 177.529 177.584 -0.063 0.000 1.206 240 A CA 2.292 54.302 52.037 -0.046 0.000 0.647 240 A CB -1.918 17.059 19.000 -0.039 0.000 0.828 240 A HN 0.659 nan 8.150 nan 0.000 0.455 241 P HA -0.171 nan 4.420 nan 0.000 0.216 241 P C 1.455 178.616 177.300 -0.233 0.000 1.150 241 P CA 1.133 64.058 63.100 -0.291 0.000 0.843 241 P CB -0.233 30.903 31.700 -0.940 0.000 0.787 242 L N -1.037 120.001 121.223 -0.309 0.000 2.056 242 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 242 L C 2.698 179.574 176.870 0.011 0.000 1.078 242 L CA 1.586 56.366 54.840 -0.100 0.000 0.749 242 L CB -1.103 40.929 42.059 -0.044 0.000 0.901 242 L HN -0.033 nan 8.230 nan 0.000 0.433 243 Q N -1.315 118.500 119.800 0.025 0.000 2.224 243 Q HA -0.235 4.104 4.340 -0.000 0.000 0.203 243 Q C 2.038 178.107 176.000 0.115 0.000 0.970 243 Q CA 1.475 57.314 55.803 0.061 0.000 0.865 243 Q CB -0.206 28.569 28.738 0.061 0.000 0.922 243 Q HN 0.459 nan 8.270 nan 0.000 0.445 244 Y N 1.072 121.384 120.300 0.019 0.000 2.114 244 Y HA -0.202 4.348 4.550 -0.000 0.000 0.284 244 Y C 1.633 177.612 175.900 0.133 0.000 1.143 244 Y CA 1.406 59.552 58.100 0.075 0.000 1.135 244 Y CB -0.290 38.227 38.460 0.096 0.000 0.980 244 Y HN -0.002 nan 8.280 nan 0.000 0.499 245 L N -0.202 120.984 121.223 -0.061 0.000 2.056 245 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 245 L C 2.832 179.709 176.870 0.012 0.000 1.078 245 L CA 0.957 55.767 54.840 -0.051 0.000 0.749 245 L CB -1.246 40.848 42.059 0.059 0.000 0.901 245 L HN 0.319 nan 8.230 nan 0.000 0.433 246 A N 0.905 123.733 122.820 0.013 0.000 1.916 246 A HA -0.273 4.047 4.320 -0.000 0.000 0.224 246 A C -0.033 177.544 177.584 -0.011 0.000 1.366 246 A CA 2.888 54.931 52.037 0.011 0.000 0.692 246 A CB -2.269 16.736 19.000 0.010 0.000 0.841 246 A HN 0.320 nan 8.150 nan 0.000 0.480 247 P HA -0.126 nan 4.420 nan 0.000 0.214 247 P C 1.137 178.353 177.300 -0.140 0.000 1.162 247 P CA 1.510 64.539 63.100 -0.119 0.000 0.879 247 P CB -0.330 31.093 31.700 -0.462 0.000 0.786 248 Y N 0.907 121.142 120.300 -0.109 0.000 2.114 248 Y HA -0.219 4.331 4.550 -0.000 0.000 0.282 248 Y C 2.691 178.575 175.900 -0.026 0.000 1.165 248 Y CA 1.979 60.020 58.100 -0.098 0.000 1.148 248 Y CB -1.888 36.459 38.460 -0.189 0.000 0.972 248 Y HN 0.034 nan 8.280 nan 0.000 0.504 249 S N -0.825 114.949 115.700 0.122 0.000 2.402 249 S HA -0.096 4.374 4.470 -0.000 0.000 0.229 249 S C 2.370 177.017 174.600 0.078 0.000 1.021 249 S CA 0.855 59.106 58.200 0.086 0.000 0.974 249 S CB -1.173 62.069 63.200 0.070 0.000 0.800 249 S HN 0.508 nan 8.310 nan 0.000 0.484 250 G N 0.639 109.488 108.800 0.081 0.000 2.402 250 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 250 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 250 G C 1.676 176.638 174.900 0.103 0.000 1.162 250 G CA 0.764 45.911 45.100 0.078 0.000 0.777 250 G HN 0.600 nan 8.290 nan 0.000 0.539 251 C N 0.644 120.029 119.300 0.142 0.000 2.398 251 C HA -0.081 4.378 4.460 -0.000 0.000 0.276 251 C C 3.255 178.318 174.990 0.121 0.000 1.222 251 C CA 1.872 60.984 59.018 0.156 0.000 1.746 251 C CB -1.009 26.836 27.740 0.175 0.000 2.039 251 C HN 0.361 nan 8.230 nan 0.000 0.470 252 S N 0.406 116.166 115.700 0.100 0.000 2.353 252 S HA -0.231 4.239 4.470 -0.000 0.000 0.222 252 S C 1.767 176.410 174.600 0.072 0.000 1.035 252 S CA 2.224 60.468 58.200 0.074 0.000 1.025 252 S CB -0.463 62.768 63.200 0.051 0.000 0.902 252 S HN 0.672 nan 8.310 nan 0.000 0.440 253 M N 0.753 120.394 119.600 0.069 0.000 2.144 253 M HA -0.138 4.341 4.480 -0.000 0.000 0.260 253 M C 2.331 178.722 176.300 0.151 0.000 1.067 253 M CA 1.639 56.973 55.300 0.057 0.000 1.095 253 M CB -0.776 31.872 32.600 0.079 0.000 1.365 253 M HN 0.477 nan 8.290 nan 0.000 0.406 254 G N -0.527 108.407 108.800 0.223 0.000 2.464 254 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.217 254 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.217 254 G C 1.294 176.363 174.900 0.281 0.000 1.138 254 G CA 0.354 45.671 45.100 0.363 0.000 0.793 254 G HN 0.489 nan 8.290 nan 0.000 0.539 255 E N -0.604 119.684 120.200 0.147 0.000 2.204 255 E HA -0.119 4.230 4.350 -0.000 0.000 0.194 255 E C 1.879 178.497 176.600 0.030 0.000 0.989 255 E CA 0.523 56.975 56.400 0.087 0.000 0.824 255 E CB -0.219 29.519 29.700 0.063 0.000 0.756 255 E HN 0.603 nan 8.360 nan 0.000 0.477 256 Y N 0.627 120.823 120.300 -0.172 0.000 2.114 256 Y HA -0.311 4.239 4.550 -0.000 0.000 0.282 256 Y C 1.636 177.320 175.900 -0.361 0.000 1.165 256 Y CA 1.740 59.640 58.100 -0.333 0.000 1.148 256 Y CB -0.296 37.830 38.460 -0.557 0.000 0.972 256 Y HN -0.058 nan 8.280 nan 0.000 0.504 257 F N 0.067 120.055 119.950 0.063 0.000 2.128 257 F HA -0.054 4.473 4.527 -0.000 0.000 0.295 257 F C 2.768 178.499 175.800 -0.115 0.000 1.100 257 F CA 1.687 59.652 58.000 -0.058 0.000 1.260 257 F CB -1.049 38.009 39.000 0.097 0.000 1.009 257 F HN -0.116 nan 8.300 nan 0.000 0.476 258 R N 0.681 121.257 120.500 0.127 0.000 2.113 258 R HA -0.213 4.127 4.340 -0.000 0.000 0.244 258 R C 1.609 177.887 176.300 -0.037 0.000 1.142 258 R CA 2.346 58.468 56.100 0.037 0.000 0.953 258 R CB -0.502 29.834 30.300 0.060 0.000 0.860 258 R HN 0.208 nan 8.270 nan 0.000 0.438 259 D N -0.146 120.216 120.400 -0.063 0.000 2.194 259 D HA -0.063 4.577 4.640 -0.000 0.000 0.204 259 D C 0.298 176.525 176.300 -0.121 0.000 0.964 259 D CA 0.930 54.890 54.000 -0.067 0.000 0.846 259 D CB -0.207 40.554 40.800 -0.065 0.000 0.962 259 D HN 0.238 nan 8.370 nan 0.000 0.490 260 N N -0.160 118.403 118.700 -0.228 0.000 2.758 260 N HA 0.317 5.057 4.740 -0.000 0.000 0.293 260 N C 0.879 176.297 175.510 -0.153 0.000 1.273 260 N CA 0.253 53.160 53.050 -0.239 0.000 1.022 260 N CB 0.622 38.853 38.487 -0.428 0.000 1.334 260 N HN 0.068 nan 8.380 nan 0.000 0.519 261 G N -0.330 108.399 108.800 -0.117 0.000 2.186 261 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.266 261 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.266 261 G C 0.376 175.169 174.900 -0.179 0.000 0.982 261 G CA 0.731 45.764 45.100 -0.113 0.000 0.670 261 G HN 0.409 nan 8.290 nan 0.000 0.533 262 K N -0.478 119.833 120.400 -0.148 0.000 2.419 262 K HA 0.676 4.996 4.320 -0.000 0.000 0.246 262 K C -0.055 176.325 176.600 -0.367 0.000 1.037 262 K CA -0.834 55.408 56.287 -0.075 0.000 0.982 262 K CB 0.665 33.334 32.500 0.282 0.000 1.283 262 K HN 0.339 nan 8.250 nan 0.000 0.500 263 H N -0.596 118.610 119.070 0.226 0.000 2.589 263 H HA 0.520 5.075 4.556 -0.000 0.000 0.351 263 H C -1.113 174.297 175.328 0.137 0.000 1.074 263 H CA -0.774 55.353 56.048 0.131 0.000 1.203 263 H CB 1.934 31.709 29.762 0.021 0.000 1.558 263 H HN 0.653 nan 8.280 nan 0.000 0.522 264 A N 2.966 125.914 122.820 0.213 0.000 2.413 264 A HA 0.589 4.909 4.320 -0.000 0.000 0.307 264 A C -1.279 176.358 177.584 0.088 0.000 1.087 264 A CA -0.704 51.416 52.037 0.138 0.000 0.750 264 A CB 1.910 21.059 19.000 0.249 0.000 1.296 264 A HN 0.484 nan 8.150 nan 0.000 0.423 265 L N 1.802 123.050 121.223 0.042 0.000 2.362 265 L HA 0.848 5.188 4.340 -0.000 0.000 0.275 265 L C -1.136 175.717 176.870 -0.028 0.000 0.998 265 L CA -0.425 54.419 54.840 0.007 0.000 0.820 265 L CB 1.392 43.454 42.059 0.006 0.000 1.270 265 L HN 0.704 nan 8.230 nan 0.000 0.415 266 I N 4.774 125.276 120.570 -0.114 0.000 2.545 266 I HA 0.581 4.751 4.170 -0.000 0.000 0.292 266 I C -1.343 174.519 176.117 -0.425 0.000 1.040 266 I CA -0.576 60.560 61.300 -0.273 0.000 1.068 266 I CB 1.673 39.437 38.000 -0.392 0.000 1.251 266 I HN 0.640 nan 8.210 nan 0.000 0.424 267 I N 7.646 127.959 120.570 -0.428 0.000 2.404 267 I HA 0.265 4.435 4.170 -0.000 0.000 0.293 267 I C -1.233 174.525 176.117 -0.598 0.000 0.992 267 I CA -0.185 60.871 61.300 -0.406 0.000 1.149 267 I CB 1.309 39.218 38.000 -0.153 0.000 1.315 267 I HN 0.325 nan 8.210 nan 0.000 0.446 268 Y N 3.841 124.002 120.300 -0.233 0.000 2.841 268 Y HA 0.375 4.925 4.550 -0.000 0.000 0.329 268 Y C -0.127 175.617 175.900 -0.260 0.000 1.062 268 Y CA -0.993 56.947 58.100 -0.268 0.000 1.281 268 Y CB 0.314 38.619 38.460 -0.258 0.000 1.147 268 Y HN 0.394 nan 8.280 nan 0.000 0.521 269 D N 3.110 123.374 120.400 -0.226 0.000 2.472 269 D HA 0.225 4.865 4.640 -0.000 0.000 0.234 269 D C -1.111 175.131 176.300 -0.096 0.000 1.088 269 D CA -0.339 53.568 54.000 -0.156 0.000 0.882 269 D CB 0.337 41.014 40.800 -0.204 0.000 1.037 269 D HN 0.629 nan 8.370 nan 0.000 0.520 270 D N 0.648 121.020 120.400 -0.047 0.000 2.552 270 D HA 0.225 4.865 4.640 -0.000 0.000 0.239 270 D C 0.837 177.096 176.300 -0.070 0.000 1.139 270 D CA -0.741 53.229 54.000 -0.049 0.000 0.914 270 D CB 1.055 41.840 40.800 -0.026 0.000 1.461 270 D HN 0.108 nan 8.370 nan 0.000 0.462 271 L N 0.304 121.446 121.223 -0.135 0.000 2.395 271 L HA -0.016 4.324 4.340 -0.000 0.000 0.218 271 L C 1.749 178.575 176.870 -0.073 0.000 1.130 271 L CA 0.474 55.167 54.840 -0.244 0.000 0.826 271 L CB -0.339 41.347 42.059 -0.622 0.000 0.941 271 L HN 0.426 nan 8.230 nan 0.000 0.451 272 S N 0.151 115.835 115.700 -0.027 0.000 2.383 272 S HA -0.142 4.328 4.470 -0.000 0.000 0.227 272 S C 1.933 176.589 174.600 0.093 0.000 1.026 272 S CA 1.238 59.465 58.200 0.044 0.000 0.981 272 S CB 0.005 63.229 63.200 0.040 0.000 0.818 272 S HN 0.417 nan 8.310 nan 0.000 0.472 273 K N 0.963 121.402 120.400 0.066 0.000 2.167 273 K HA 0.019 4.339 4.320 -0.000 0.000 0.203 273 K C 2.391 179.055 176.600 0.108 0.000 1.052 273 K CA 0.582 56.919 56.287 0.083 0.000 0.956 273 K CB -0.116 32.418 32.500 0.055 0.000 0.735 273 K HN 0.309 nan 8.250 nan 0.000 0.451 274 Q N 1.072 120.930 119.800 0.096 0.000 2.124 274 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 274 Q C 2.015 178.149 176.000 0.222 0.000 0.977 274 Q CA 1.504 57.390 55.803 0.138 0.000 0.850 274 Q CB -0.066 28.721 28.738 0.082 0.000 0.901 274 Q HN 0.301 nan 8.270 nan 0.000 0.429 275 A N 0.201 123.165 122.820 0.241 0.000 1.933 275 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 275 A C 2.250 180.059 177.584 0.374 0.000 1.175 275 A CA 1.501 53.695 52.037 0.262 0.000 0.628 275 A CB -0.757 18.335 19.000 0.154 0.000 0.814 275 A HN 0.295 nan 8.150 nan 0.000 0.444 276 V N -0.151 119.943 119.914 0.300 0.000 2.287 276 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 276 V C 3.079 179.259 176.094 0.143 0.000 1.053 276 V CA 2.025 64.458 62.300 0.222 0.000 1.027 276 V CB -1.205 30.706 31.823 0.147 0.000 0.646 276 V HN 0.636 nan 8.190 nan 0.000 0.447 277 A N -1.055 121.853 122.820 0.147 0.000 1.908 277 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 277 A C 2.175 179.825 177.584 0.110 0.000 1.181 277 A CA 2.341 54.445 52.037 0.113 0.000 0.627 277 A CB -0.810 18.271 19.000 0.135 0.000 0.818 277 A HN 0.643 nan 8.150 nan 0.000 0.445 278 Y N 0.189 120.507 120.300 0.030 0.000 2.263 278 Y HA -0.106 4.444 4.550 -0.000 0.000 0.292 278 Y C 2.444 178.316 175.900 -0.047 0.000 1.130 278 Y CA 1.700 59.755 58.100 -0.075 0.000 1.179 278 Y CB -0.356 38.092 38.460 -0.020 0.000 0.998 278 Y HN 0.336 nan 8.280 nan 0.000 0.532 279 R N 0.258 120.771 120.500 0.023 0.000 2.152 279 R HA -0.218 4.122 4.340 -0.000 0.000 0.232 279 R C 2.343 178.548 176.300 -0.159 0.000 1.117 279 R CA 1.698 57.738 56.100 -0.101 0.000 0.981 279 R CB -0.242 29.968 30.300 -0.149 0.000 0.870 279 R HN 0.558 nan 8.270 nan 0.000 0.451 280 Q N 0.133 119.867 119.800 -0.110 0.000 2.049 280 Q HA -0.144 4.196 4.340 -0.000 0.000 0.198 280 Q C 2.035 177.951 176.000 -0.139 0.000 0.971 280 Q CA 1.507 57.247 55.803 -0.105 0.000 0.833 280 Q CB -0.010 28.691 28.738 -0.062 0.000 0.896 280 Q HN 0.379 nan 8.270 nan 0.000 0.434 281 M N 0.067 119.558 119.600 -0.182 0.000 2.108 281 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 281 M C 2.327 178.477 176.300 -0.250 0.000 1.066 281 M CA 1.628 56.803 55.300 -0.208 0.000 1.107 281 M CB -0.054 32.396 32.600 -0.250 0.000 1.356 281 M HN 0.155 nan 8.290 nan 0.000 0.406 282 S N 0.869 116.346 115.700 -0.370 0.000 2.345 282 S HA -0.064 4.406 4.470 -0.000 0.000 0.220 282 S C 1.887 176.378 174.600 -0.181 0.000 1.031 282 S CA 1.140 59.143 58.200 -0.327 0.000 0.996 282 S CB -0.516 62.440 63.200 -0.406 0.000 0.882 282 S HN 0.388 nan 8.310 nan 0.000 0.445 283 L N 0.961 122.087 121.223 -0.161 0.000 2.042 283 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 283 L C 2.088 178.906 176.870 -0.087 0.000 1.076 283 L CA 1.098 55.873 54.840 -0.110 0.000 0.749 283 L CB -0.617 41.377 42.059 -0.109 0.000 0.893 283 L HN 0.280 nan 8.230 nan 0.000 0.432 284 L N -0.827 120.342 121.223 -0.090 0.000 2.395 284 L HA -0.121 4.219 4.340 -0.000 0.000 0.218 284 L C 2.062 178.901 176.870 -0.052 0.000 1.130 284 L CA 0.488 55.291 54.840 -0.062 0.000 0.826 284 L CB -0.203 41.823 42.059 -0.054 0.000 0.941 284 L HN 0.247 nan 8.230 nan 0.000 0.451 285 L N -0.778 120.404 121.223 -0.069 0.000 2.591 285 L HA 0.070 4.410 4.340 -0.000 0.000 0.228 285 L C 0.877 177.723 176.870 -0.040 0.000 1.133 285 L CA 0.137 54.947 54.840 -0.050 0.000 0.880 285 L CB -0.068 41.953 42.059 -0.064 0.000 1.033 285 L HN 0.227 nan 8.230 nan 0.000 0.450 286 R N -0.183 120.289 120.500 -0.047 0.000 3.776 286 R HA -0.123 4.217 4.340 -0.000 0.000 0.312 286 R C -0.154 176.126 176.300 -0.033 0.000 1.181 286 R CA 0.288 56.367 56.100 -0.035 0.000 0.836 286 R CB -1.168 29.120 30.300 -0.021 0.000 1.324 286 R HN 0.246 nan 8.270 nan 0.000 0.501 287 R N 0.825 121.296 120.500 -0.047 0.000 2.694 287 R HA 0.161 4.501 4.340 -0.000 0.000 0.268 287 R C -2.086 174.198 176.300 -0.028 0.000 1.061 287 R CA -1.486 54.593 56.100 -0.035 0.000 1.133 287 R CB -0.085 30.181 30.300 -0.055 0.000 1.020 287 R HN -0.082 nan 8.270 nan 0.000 0.475 288 P HA 0.104 nan 4.420 nan 0.000 0.267 288 P C -2.254 175.045 177.300 -0.001 0.000 1.205 288 P CA -1.010 62.088 63.100 -0.004 0.000 0.765 288 P CB -0.076 31.628 31.700 0.007 0.000 0.828 289 P HA 0.314 nan 4.420 nan 0.000 0.278 289 P C 0.040 177.343 177.300 0.005 0.000 1.238 289 P CA 0.059 63.154 63.100 -0.009 0.000 0.794 289 P CB 1.418 33.099 31.700 -0.031 0.000 0.955 290 G N 1.468 110.282 108.800 0.023 0.000 3.257 290 G HA2 0.369 4.329 3.960 -0.000 0.000 0.205 290 G HA3 0.369 4.329 3.960 -0.000 0.000 0.205 290 G C -0.737 174.146 174.900 -0.027 0.000 1.234 290 G CA -0.907 44.195 45.100 0.002 0.000 0.918 290 G HN 0.552 nan 8.290 nan 0.000 0.602 291 R N 0.539 120.959 120.500 -0.132 0.000 2.537 291 R HA 0.084 4.424 4.340 -0.000 0.000 0.281 291 R C 0.231 176.550 176.300 0.032 0.000 0.988 291 R CA 1.144 57.140 56.100 -0.173 0.000 1.077 291 R CB -0.229 29.787 30.300 -0.473 0.000 0.932 291 R HN 0.728 nan 8.270 nan 0.000 0.409 292 E N 2.464 122.707 120.200 0.072 0.000 3.065 292 E HA -0.353 3.997 4.350 -0.000 0.000 0.277 292 E C 0.321 176.900 176.600 -0.034 0.000 1.008 292 E CA 0.628 57.106 56.400 0.130 0.000 0.864 292 E CB -1.066 28.871 29.700 0.395 0.000 1.439 292 E HN 0.896 nan 8.360 nan 0.000 0.445 293 A N -2.644 120.155 122.820 -0.035 0.000 3.201 293 A HA -0.286 4.034 4.320 -0.000 0.000 0.260 293 A C 0.109 177.604 177.584 -0.149 0.000 1.222 293 A CA 1.542 53.511 52.037 -0.114 0.000 1.124 293 A CB -2.040 16.860 19.000 -0.167 0.000 1.155 293 A HN 0.391 nan 8.150 nan 0.000 0.924 294 Y N 0.528 120.903 120.300 0.124 0.000 2.299 294 Y HA 0.486 5.036 4.550 -0.000 0.000 0.335 294 Y C -1.269 174.724 175.900 0.154 0.000 1.287 294 Y CA -1.016 57.193 58.100 0.181 0.000 1.424 294 Y CB 0.307 38.988 38.460 0.367 0.000 1.326 294 Y HN 0.276 nan 8.280 nan 0.000 0.567 295 P HA 0.159 nan 4.420 nan 0.000 0.283 295 P C 0.315 177.775 177.300 0.267 0.000 1.271 295 P CA -0.455 62.761 63.100 0.192 0.000 0.841 295 P CB 1.226 32.983 31.700 0.095 0.000 1.122 296 G N 0.740 109.663 108.800 0.205 0.000 2.559 296 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.216 296 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.216 296 G C 0.563 175.610 174.900 0.246 0.000 1.126 296 G CA 0.497 45.724 45.100 0.211 0.000 0.778 296 G HN 0.604 nan 8.290 nan 0.000 0.543 297 D N -0.365 120.205 120.400 0.283 0.000 2.349 297 D HA 0.070 4.710 4.640 -0.000 0.000 0.214 297 D C 1.877 178.368 176.300 0.317 0.000 1.063 297 D CA -0.275 53.938 54.000 0.353 0.000 0.847 297 D CB -0.069 40.974 40.800 0.405 0.000 0.933 297 D HN 0.072 nan 8.370 nan 0.000 0.513 298 V N -0.091 119.984 119.914 0.270 0.000 2.490 298 V HA -0.174 3.946 4.120 -0.000 0.000 0.250 298 V C 1.812 177.858 176.094 -0.081 0.000 1.061 298 V CA 1.471 63.821 62.300 0.082 0.000 1.064 298 V CB -0.634 31.224 31.823 0.057 0.000 0.670 298 V HN 0.242 nan 8.190 nan 0.000 0.461 299 F N -0.122 119.770 119.950 -0.097 0.000 2.146 299 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 299 F C 2.174 177.997 175.800 0.039 0.000 1.096 299 F CA 2.175 60.127 58.000 -0.080 0.000 1.275 299 F CB -0.667 38.322 39.000 -0.018 0.000 1.008 299 F HN 0.365 nan 8.300 nan 0.000 0.480 300 Y N 0.966 121.380 120.300 0.190 0.000 2.207 300 Y HA -0.237 4.313 4.550 -0.000 0.000 0.287 300 Y C 2.155 178.024 175.900 -0.050 0.000 1.156 300 Y CA 1.742 59.898 58.100 0.094 0.000 1.182 300 Y CB -1.085 37.456 38.460 0.136 0.000 0.979 300 Y HN 0.264 nan 8.280 nan 0.000 0.521 301 L N -0.328 120.808 121.223 -0.145 0.000 2.012 301 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 301 L C 2.294 179.055 176.870 -0.182 0.000 1.073 301 L CA 2.387 57.051 54.840 -0.292 0.000 0.748 301 L CB -0.663 41.145 42.059 -0.420 0.000 0.891 301 L HN 0.335 nan 8.230 nan 0.000 0.431 302 H N -1.927 116.997 119.070 -0.244 0.000 2.512 302 H HA -0.023 4.533 4.556 -0.000 0.000 0.279 302 H C 2.361 177.485 175.328 -0.339 0.000 0.999 302 H CA 0.711 56.562 56.048 -0.328 0.000 1.283 302 H CB 0.150 29.698 29.762 -0.358 0.000 1.421 302 H HN 0.535 nan 8.280 nan 0.000 0.554 303 S N 1.365 116.906 115.700 -0.264 0.000 2.406 303 S HA -0.171 4.299 4.470 -0.000 0.000 0.228 303 S C 2.076 176.635 174.600 -0.068 0.000 1.020 303 S CA 0.746 58.805 58.200 -0.236 0.000 0.965 303 S CB -0.131 62.894 63.200 -0.291 0.000 0.798 303 S HN 0.526 nan 8.310 nan 0.000 0.488 304 R N 0.793 121.276 120.500 -0.029 0.000 2.115 304 R HA 0.100 4.440 4.340 -0.000 0.000 0.230 304 R C 2.281 178.596 176.300 0.025 0.000 1.111 304 R CA 1.285 57.388 56.100 0.005 0.000 0.976 304 R CB -0.702 29.542 30.300 -0.094 0.000 0.870 304 R HN 0.466 nan 8.270 nan 0.000 0.445 305 L N 0.921 122.149 121.223 0.008 0.000 2.095 305 L HA 0.081 4.421 4.340 -0.000 0.000 0.204 305 L C 1.993 178.790 176.870 -0.122 0.000 1.080 305 L CA 1.374 56.161 54.840 -0.087 0.000 0.759 305 L CB -0.083 41.710 42.059 -0.443 0.000 0.914 305 L HN 0.196 nan 8.230 nan 0.000 0.439 306 L N -0.655 120.486 121.223 -0.136 0.000 2.313 306 L HA 0.002 4.342 4.340 -0.000 0.000 0.214 306 L C 2.280 179.135 176.870 -0.026 0.000 1.119 306 L CA 0.275 55.064 54.840 -0.085 0.000 0.809 306 L CB -0.514 41.472 42.059 -0.122 0.000 0.933 306 L HN 0.237 nan 8.230 nan 0.000 0.449 307 E N 0.513 120.701 120.200 -0.020 0.000 2.347 307 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 307 E C 2.055 178.662 176.600 0.012 0.000 1.008 307 E CA 0.547 56.947 56.400 0.001 0.000 0.852 307 E CB 0.036 29.743 29.700 0.011 0.000 0.783 307 E HN 0.441 nan 8.360 nan 0.000 0.505 308 R N 0.630 121.144 120.500 0.023 0.000 2.285 308 R HA 0.069 4.409 4.340 -0.000 0.000 0.213 308 R C 0.820 177.149 176.300 0.047 0.000 1.068 308 R CA 0.451 56.574 56.100 0.038 0.000 1.004 308 R CB 0.029 30.363 30.300 0.057 0.000 0.873 308 R HN -0.073 nan 8.270 nan 0.000 0.467 309 A N 1.169 124.018 122.820 0.049 0.000 2.362 309 A HA 0.635 4.955 4.320 -0.000 0.000 0.276 309 A C -0.226 177.376 177.584 0.029 0.000 1.153 309 A CA -0.036 52.031 52.037 0.050 0.000 0.813 309 A CB 0.507 19.539 19.000 0.053 0.000 1.081 309 A HN 0.277 nan 8.150 nan 0.000 0.507 310 A N 2.250 125.088 122.820 0.029 0.000 2.608 310 A HA 0.667 4.987 4.320 -0.000 0.000 0.292 310 A C -0.929 176.669 177.584 0.022 0.000 1.066 310 A CA -0.764 51.281 52.037 0.013 0.000 0.676 310 A CB 1.058 20.053 19.000 -0.009 0.000 1.277 310 A HN 0.822 nan 8.150 nan 0.000 0.413 311 K N 1.959 122.368 120.400 0.015 0.000 2.281 311 K HA 0.580 4.900 4.320 -0.000 0.000 0.272 311 K C -0.595 176.012 176.600 0.012 0.000 1.048 311 K CA -0.367 55.938 56.287 0.031 0.000 0.898 311 K CB 0.293 32.811 32.500 0.031 0.000 1.128 311 K HN 0.595 nan 8.250 nan 0.000 0.460 312 M N 3.287 122.901 119.600 0.023 0.000 2.235 312 M HA 0.188 4.668 4.480 -0.000 0.000 0.351 312 M C 0.200 176.538 176.300 0.064 0.000 1.178 312 M CA -0.715 54.596 55.300 0.017 0.000 1.143 312 M CB 0.371 32.999 32.600 0.045 0.000 1.530 312 M HN 0.709 nan 8.290 nan 0.000 0.461 313 N N 1.114 119.865 118.700 0.085 0.000 2.467 313 N HA 0.087 4.827 4.740 -0.000 0.000 0.262 313 N C -0.129 175.479 175.510 0.163 0.000 1.234 313 N CA -0.178 52.946 53.050 0.122 0.000 0.952 313 N CB 0.400 38.965 38.487 0.130 0.000 1.158 313 N HN 0.490 nan 8.380 nan 0.000 0.463 314 D N 0.425 120.890 120.400 0.109 0.000 2.149 314 D HA -0.198 4.442 4.640 -0.000 0.000 0.194 314 D C 1.505 177.844 176.300 0.064 0.000 1.001 314 D CA 2.489 56.535 54.000 0.076 0.000 0.849 314 D CB -0.373 40.456 40.800 0.048 0.000 0.939 314 D HN 0.735 nan 8.370 nan 0.000 0.449 315 A N -0.685 122.181 122.820 0.076 0.000 2.216 315 A HA -0.037 4.283 4.320 -0.000 0.000 0.214 315 A C 0.994 178.447 177.584 -0.217 0.000 1.160 315 A CA 0.676 52.683 52.037 -0.049 0.000 0.725 315 A CB -0.466 18.505 19.000 -0.048 0.000 0.784 315 A HN 0.226 nan 8.150 nan 0.000 0.472 316 F N -1.563 118.380 119.950 -0.012 0.000 2.698 316 F HA 0.417 4.944 4.527 -0.000 0.000 0.304 316 F C 1.621 177.402 175.800 -0.032 0.000 1.108 316 F CA 0.464 58.452 58.000 -0.020 0.000 1.263 316 F CB 0.740 39.731 39.000 -0.015 0.000 1.013 316 F HN 0.298 nan 8.300 nan 0.000 0.532 317 G N -0.350 108.492 108.800 0.069 0.000 2.232 317 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.226 317 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.226 317 G C 1.313 176.228 174.900 0.025 0.000 0.996 317 G CA -0.052 45.059 45.100 0.020 0.000 0.626 317 G HN 1.087 nan 8.290 nan 0.000 0.509 318 G N -0.323 108.516 108.800 0.064 0.000 2.162 318 G HA2 0.154 4.114 3.960 -0.000 0.000 0.260 318 G HA3 0.154 4.114 3.960 -0.000 0.000 0.260 318 G C 1.666 176.587 174.900 0.034 0.000 0.976 318 G CA 1.110 46.251 45.100 0.069 0.000 0.655 318 G HN 2.141 nan 8.290 nan 0.000 0.533 319 G N -0.410 108.350 108.800 -0.066 0.000 2.647 319 G HA2 0.665 4.625 3.960 -0.000 0.000 0.271 319 G HA3 0.665 4.625 3.960 -0.000 0.000 0.271 319 G C 0.399 175.272 174.900 -0.045 0.000 1.300 319 G CA 1.190 46.157 45.100 -0.222 0.000 0.997 319 G HN 1.989 nan 8.290 nan 0.000 0.533 320 S N -2.136 113.556 115.700 -0.014 0.000 2.578 320 S HA 0.527 4.997 4.470 -0.000 0.000 0.272 320 S C -1.698 172.973 174.600 0.119 0.000 1.145 320 S CA -0.818 57.452 58.200 0.118 0.000 0.835 320 S CB 1.803 65.149 63.200 0.243 0.000 1.104 320 S HN 1.266 nan 8.310 nan 0.000 0.458 321 L N 1.631 122.912 121.223 0.095 0.000 2.441 321 L HA 0.740 5.080 4.340 -0.000 0.000 0.270 321 L C -0.833 176.074 176.870 0.061 0.000 0.973 321 L CA 0.222 55.117 54.840 0.092 0.000 0.842 321 L CB 1.715 43.830 42.059 0.093 0.000 1.239 321 L HN 0.966 nan 8.230 nan 0.000 0.406 322 T N 3.931 118.512 114.554 0.045 0.000 2.824 322 T HA 0.861 5.211 4.350 -0.000 0.000 0.280 322 T C -0.285 174.408 174.700 -0.011 0.000 0.995 322 T CA -0.296 61.813 62.100 0.016 0.000 1.009 322 T CB 1.524 70.395 68.868 0.005 0.000 0.955 322 T HN 0.802 nan 8.240 nan 0.000 0.452 323 A N 3.152 125.967 122.820 -0.008 0.000 2.331 323 A HA 0.744 5.064 4.320 -0.000 0.000 0.320 323 A C -0.447 177.115 177.584 -0.037 0.000 1.138 323 A CA -0.766 51.252 52.037 -0.031 0.000 0.790 323 A CB 0.519 19.584 19.000 0.109 0.000 1.206 323 A HN 0.873 nan 8.150 nan 0.000 0.470 324 L N 4.504 125.671 121.223 -0.093 0.000 2.506 324 L HA 0.314 4.654 4.340 -0.000 0.000 0.247 324 L C -2.341 174.498 176.870 -0.051 0.000 1.141 324 L CA -1.745 53.058 54.840 -0.062 0.000 0.973 324 L CB 1.147 43.172 42.059 -0.057 0.000 1.319 324 L HN 0.474 nan 8.230 nan 0.000 0.455 325 P HA 0.121 nan 4.420 nan 0.000 0.271 325 P C -0.439 176.838 177.300 -0.039 0.000 1.218 325 P CA -0.066 63.067 63.100 0.055 0.000 0.780 325 P CB 1.898 33.599 31.700 0.001 0.000 0.901 326 V N 3.958 123.843 119.914 -0.048 0.000 2.555 326 V HA 0.431 4.551 4.120 -0.000 0.000 0.302 326 V C 0.247 176.297 176.094 -0.073 0.000 1.038 326 V CA -0.602 61.664 62.300 -0.056 0.000 0.887 326 V CB 1.888 33.692 31.823 -0.032 0.000 0.991 326 V HN 0.409 nan 8.190 nan 0.000 0.434 327 I N 3.259 123.792 120.570 -0.062 0.000 2.499 327 I HA 0.410 4.580 4.170 -0.000 0.000 0.288 327 I C -0.100 176.011 176.117 -0.010 0.000 1.048 327 I CA -0.368 60.904 61.300 -0.047 0.000 1.062 327 I CB 2.045 40.012 38.000 -0.055 0.000 1.238 327 I HN 0.785 nan 8.210 nan 0.000 0.426 328 E N 5.180 125.385 120.200 0.008 0.000 2.146 328 E HA 0.387 4.737 4.350 -0.000 0.000 0.282 328 E C -0.434 176.193 176.600 0.044 0.000 0.989 328 E CA -0.363 56.053 56.400 0.026 0.000 0.799 328 E CB 1.125 30.842 29.700 0.029 0.000 1.088 328 E HN 0.687 nan 8.360 nan 0.000 0.397 329 T N 1.994 116.581 114.554 0.055 0.000 2.881 329 T HA 0.310 4.660 4.350 -0.000 0.000 0.278 329 T C -0.059 174.678 174.700 0.063 0.000 0.982 329 T CA -1.009 61.132 62.100 0.069 0.000 0.989 329 T CB 1.417 70.337 68.868 0.087 0.000 1.058 329 T HN 0.352 nan 8.240 nan 0.000 0.529 330 Q N 0.499 120.339 119.800 0.067 0.000 2.368 330 Q HA 0.532 4.872 4.340 -0.000 0.000 0.263 330 Q C 0.382 176.414 176.000 0.054 0.000 1.009 330 Q CA -0.204 55.634 55.803 0.059 0.000 0.818 330 Q CB 1.168 29.945 28.738 0.065 0.000 1.239 330 Q HN 1.223 nan 8.270 nan 0.000 0.464 331 A N 2.228 125.076 122.820 0.047 0.000 2.822 331 A HA -0.156 4.164 4.320 -0.000 0.000 0.287 331 A C 1.124 178.734 177.584 0.043 0.000 1.479 331 A CA 1.510 53.572 52.037 0.043 0.000 0.779 331 A CB -2.085 16.938 19.000 0.038 0.000 1.022 331 A HN 1.549 nan 8.150 nan 0.000 0.532 332 G N -1.401 107.429 108.800 0.051 0.000 2.159 332 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.256 332 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.256 332 G C -0.030 174.900 174.900 0.049 0.000 0.977 332 G CA 0.980 46.110 45.100 0.049 0.000 0.652 332 G HN 1.672 nan 8.290 nan 0.000 0.531 333 D N 1.043 121.477 120.400 0.057 0.000 2.498 333 D HA 0.367 5.007 4.640 -0.000 0.000 0.229 333 D C 1.944 178.291 176.300 0.078 0.000 1.188 333 D CA 0.416 54.452 54.000 0.059 0.000 1.028 333 D CB 0.356 41.193 40.800 0.061 0.000 1.087 333 D HN 0.676 nan 8.370 nan 0.000 0.510 334 V N 0.783 120.745 119.914 0.080 0.000 3.305 334 V HA -0.007 4.113 4.120 -0.000 0.000 0.269 334 V C 1.390 177.549 176.094 0.108 0.000 1.157 334 V CA 0.913 63.285 62.300 0.121 0.000 1.157 334 V CB -0.165 31.748 31.823 0.150 0.000 0.772 334 V HN 0.270 nan 8.190 nan 0.000 0.498 335 S N 0.535 116.286 115.700 0.085 0.000 2.556 335 S HA 0.576 5.046 4.470 -0.000 0.000 0.216 335 S C 1.289 175.954 174.600 0.108 0.000 0.970 335 S CA 0.302 58.554 58.200 0.088 0.000 0.912 335 S CB -0.006 63.231 63.200 0.063 0.000 0.790 335 S HN 0.927 nan 8.310 nan 0.000 0.504 336 A N 0.803 123.691 122.820 0.113 0.000 2.433 336 A HA 0.230 4.549 4.320 -0.000 0.000 0.250 336 A C 0.970 178.672 177.584 0.197 0.000 1.113 336 A CA 0.041 52.163 52.037 0.142 0.000 0.794 336 A CB -0.235 18.844 19.000 0.132 0.000 1.067 336 A HN 0.328 nan 8.150 nan 0.000 0.510 337 Y N 0.295 120.626 120.300 0.051 0.000 2.089 337 Y HA -0.175 4.375 4.550 -0.000 0.000 0.282 337 Y C 1.949 177.837 175.900 -0.021 0.000 1.139 337 Y CA 2.166 60.279 58.100 0.022 0.000 1.123 337 Y CB -0.517 37.960 38.460 0.029 0.000 0.980 337 Y HN 0.469 nan 8.280 nan 0.000 0.493 338 I N 0.637 121.125 120.570 -0.136 0.000 2.179 338 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 338 I C -0.603 175.473 176.117 -0.068 0.000 1.088 338 I CA 1.362 62.524 61.300 -0.230 0.000 1.357 338 I CB -2.341 35.515 38.000 -0.240 0.000 1.051 338 I HN 0.146 nan 8.210 nan 0.000 0.409 339 P HA -0.125 nan 4.420 nan 0.000 0.215 339 P C 1.817 179.157 177.300 0.068 0.000 1.153 339 P CA 1.799 64.923 63.100 0.041 0.000 0.853 339 P CB -0.273 31.476 31.700 0.081 0.000 0.788 340 T N -0.496 114.116 114.554 0.096 0.000 2.684 340 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 340 T C 1.623 176.406 174.700 0.139 0.000 1.036 340 T CA 1.612 63.788 62.100 0.128 0.000 1.148 340 T CB -0.943 68.024 68.868 0.165 0.000 0.863 340 T HN 0.110 nan 8.240 nan 0.000 0.436 341 N N 1.035 119.810 118.700 0.125 0.000 2.013 341 N HA -0.090 4.650 4.740 -0.000 0.000 0.195 341 N C 2.005 177.571 175.510 0.093 0.000 1.051 341 N CA 1.097 54.275 53.050 0.214 0.000 0.851 341 N CB -1.037 37.515 38.487 0.109 0.000 1.044 341 N HN 0.211 nan 8.380 nan 0.000 0.422 342 V N 1.523 121.434 119.914 -0.005 0.000 2.490 342 V HA -0.132 3.988 4.120 -0.000 0.000 0.250 342 V C 2.246 178.321 176.094 -0.031 0.000 1.061 342 V CA 1.032 63.290 62.300 -0.070 0.000 1.064 342 V CB -0.508 31.238 31.823 -0.128 0.000 0.670 342 V HN 0.249 nan 8.190 nan 0.000 0.461 343 I N 1.063 121.646 120.570 0.021 0.000 2.286 343 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 343 I C 2.643 178.799 176.117 0.066 0.000 1.115 343 I CA 1.953 63.280 61.300 0.045 0.000 1.392 343 I CB -0.312 37.756 38.000 0.113 0.000 1.065 343 I HN 0.500 nan 8.210 nan 0.000 0.418 344 S N 0.612 116.375 115.700 0.105 0.000 2.446 344 S HA 0.013 4.483 4.470 -0.000 0.000 0.225 344 S C 1.946 176.616 174.600 0.118 0.000 1.016 344 S CA 0.369 58.650 58.200 0.135 0.000 0.943 344 S CB -0.388 62.932 63.200 0.200 0.000 0.786 344 S HN 0.394 nan 8.310 nan 0.000 0.508 345 I N 2.469 123.078 120.570 0.065 0.000 2.353 345 I HA -0.051 4.119 4.170 -0.000 0.000 0.248 345 I C 1.677 177.787 176.117 -0.012 0.000 1.119 345 I CA 0.985 62.279 61.300 -0.010 0.000 1.417 345 I CB -0.883 37.020 38.000 -0.161 0.000 1.078 345 I HN 0.469 nan 8.210 nan 0.000 0.421 346 T N -2.105 112.437 114.554 -0.020 0.000 2.788 346 T HA 0.055 4.405 4.350 -0.000 0.000 0.287 346 T C 0.670 175.367 174.700 -0.005 0.000 1.007 346 T CA -0.504 61.581 62.100 -0.025 0.000 1.005 346 T CB 0.956 69.794 68.868 -0.051 0.000 1.012 346 T HN 0.062 nan 8.240 nan 0.000 0.530 347 D N 0.202 120.596 120.400 -0.010 0.000 2.349 347 D HA 0.285 4.925 4.640 -0.000 0.000 0.215 347 D C 0.967 177.265 176.300 -0.003 0.000 1.016 347 D CA 0.634 54.633 54.000 -0.001 0.000 0.870 347 D CB 0.193 40.991 40.800 -0.003 0.000 0.917 347 D HN 0.903 nan 8.370 nan 0.000 0.524 348 G N 0.027 108.814 108.800 -0.021 0.000 2.340 348 G HA2 0.355 4.315 3.960 -0.000 0.000 0.298 348 G HA3 0.355 4.315 3.960 -0.000 0.000 0.298 348 G C -1.908 172.934 174.900 -0.097 0.000 1.498 348 G CA -0.816 44.267 45.100 -0.029 0.000 0.847 348 G HN -0.087 nan 8.290 nan 0.000 0.594 349 Q N -0.650 119.057 119.800 -0.155 0.000 2.359 349 Q HA 0.667 5.007 4.340 -0.000 0.000 0.274 349 Q C -0.579 175.183 176.000 -0.396 0.000 1.074 349 Q CA -0.481 55.078 55.803 -0.407 0.000 0.810 349 Q CB 2.891 31.129 28.738 -0.834 0.000 1.342 349 Q HN 0.546 nan 8.270 nan 0.000 0.427 350 I N 2.966 123.318 120.570 -0.363 0.000 2.347 350 I HA 0.310 4.480 4.170 -0.000 0.000 0.283 350 I C -0.914 175.068 176.117 -0.225 0.000 1.058 350 I CA -0.389 60.800 61.300 -0.186 0.000 1.202 350 I CB 0.227 38.168 38.000 -0.098 0.000 1.386 350 I HN 0.458 nan 8.210 nan 0.000 0.475 351 F N 6.496 126.456 119.950 0.016 0.000 2.438 351 F HA 0.391 4.918 4.527 -0.000 0.000 0.356 351 F C 0.294 176.108 175.800 0.024 0.000 1.099 351 F CA -0.220 57.791 58.000 0.019 0.000 1.185 351 F CB 0.584 39.596 39.000 0.019 0.000 1.115 351 F HN 0.188 nan 8.300 nan 0.000 0.526 352 L N 3.483 124.816 121.223 0.185 0.000 2.331 352 L HA 0.581 4.921 4.340 -0.000 0.000 0.275 352 L C -0.539 176.407 176.870 0.128 0.000 1.022 352 L CA -0.713 54.204 54.840 0.129 0.000 0.812 352 L CB 1.859 43.967 42.059 0.083 0.000 1.257 352 L HN 0.577 nan 8.230 nan 0.000 0.435 353 E N 0.094 120.361 120.200 0.112 0.000 2.308 353 E HA 0.229 4.579 4.350 -0.000 0.000 0.275 353 E C -0.237 176.427 176.600 0.107 0.000 0.890 353 E CA -0.445 56.014 56.400 0.099 0.000 0.754 353 E CB 2.342 32.095 29.700 0.089 0.000 1.207 353 E HN 0.535 nan 8.360 nan 0.000 0.426 354 T N 1.109 115.717 114.554 0.091 0.000 2.708 354 T HA -0.205 4.145 4.350 -0.000 0.000 0.266 354 T C 1.509 176.333 174.700 0.206 0.000 1.037 354 T CA 1.354 63.520 62.100 0.110 0.000 1.146 354 T CB -0.007 68.935 68.868 0.124 0.000 0.865 354 T HN 0.517 nan 8.240 nan 0.000 0.435 355 E N 0.686 120.992 120.200 0.176 0.000 2.097 355 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 355 E C 2.162 178.859 176.600 0.163 0.000 1.000 355 E CA 1.018 57.523 56.400 0.175 0.000 0.804 355 E CB -0.206 29.563 29.700 0.114 0.000 0.740 355 E HN 0.465 nan 8.360 nan 0.000 0.454 356 L N -0.143 121.159 121.223 0.132 0.000 2.056 356 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 356 L C 2.472 179.396 176.870 0.089 0.000 1.078 356 L CA 0.937 55.836 54.840 0.100 0.000 0.749 356 L CB -0.555 41.553 42.059 0.082 0.000 0.901 356 L HN 0.188 nan 8.230 nan 0.000 0.433 357 F N 0.435 120.347 119.950 -0.063 0.000 2.025 357 F HA -0.330 4.197 4.527 -0.000 0.000 0.297 357 F C 2.391 178.076 175.800 -0.193 0.000 1.132 357 F CA 1.856 59.741 58.000 -0.193 0.000 1.191 357 F CB -0.501 38.281 39.000 -0.363 0.000 0.963 357 F HN -0.061 nan 8.300 nan 0.000 0.481 358 Y N 0.202 120.699 120.300 0.328 0.000 2.497 358 Y HA -0.099 4.451 4.550 -0.000 0.000 0.292 358 Y C 2.298 178.248 175.900 0.084 0.000 1.137 358 Y CA 1.277 59.501 58.100 0.207 0.000 1.285 358 Y CB -0.773 37.806 38.460 0.198 0.000 0.991 358 Y HN 0.119 nan 8.280 nan 0.000 0.556 359 K N -0.538 119.967 120.400 0.176 0.000 2.439 359 K HA 0.054 4.374 4.320 -0.000 0.000 0.197 359 K C 1.410 178.037 176.600 0.043 0.000 1.041 359 K CA 0.946 57.296 56.287 0.106 0.000 0.970 359 K CB -0.133 32.422 32.500 0.093 0.000 0.773 359 K HN 0.416 nan 8.250 nan 0.000 0.479 360 G N 0.414 109.201 108.800 -0.021 0.000 2.253 360 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.209 360 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.209 360 G C -0.033 174.799 174.900 -0.114 0.000 0.997 360 G CA -0.097 44.957 45.100 -0.077 0.000 0.640 360 G HN 0.142 nan 8.290 nan 0.000 0.496 361 I N 2.192 122.713 120.570 -0.082 0.000 2.471 361 I HA 0.379 4.549 4.170 -0.000 0.000 0.294 361 I C 0.668 176.697 176.117 -0.147 0.000 1.123 361 I CA 0.483 61.739 61.300 -0.074 0.000 1.336 361 I CB -0.331 37.663 38.000 -0.011 0.000 1.430 361 I HN 0.175 nan 8.210 nan 0.000 0.533 362 R N 7.349 127.743 120.500 -0.177 0.000 2.515 362 R HA 0.403 4.743 4.340 -0.000 0.000 0.291 362 R C -2.603 173.622 176.300 -0.125 0.000 1.046 362 R CA -1.605 54.359 56.100 -0.227 0.000 0.914 362 R CB 2.525 32.568 30.300 -0.429 0.000 1.191 362 R HN 0.290 nan 8.270 nan 0.000 0.435 363 P HA 0.012 nan 4.420 nan 0.000 0.268 363 P C -0.204 177.091 177.300 -0.008 0.000 1.205 363 P CA -0.148 62.929 63.100 -0.037 0.000 0.771 363 P CB 0.882 32.576 31.700 -0.010 0.000 0.858 364 A N 4.300 127.151 122.820 0.051 0.000 2.604 364 A HA 0.130 4.450 4.320 -0.000 0.000 0.248 364 A C 0.810 178.445 177.584 0.085 0.000 1.466 364 A CA -0.221 51.868 52.037 0.087 0.000 1.222 364 A CB -1.472 17.656 19.000 0.213 0.000 0.945 364 A HN 0.479 nan 8.150 nan 0.000 0.600 365 I N 1.098 121.705 120.570 0.062 0.000 2.416 365 I HA 0.023 4.193 4.170 -0.000 0.000 0.288 365 I C 0.403 176.570 176.117 0.083 0.000 1.051 365 I CA -0.433 60.911 61.300 0.073 0.000 1.375 365 I CB 0.608 38.639 38.000 0.052 0.000 1.407 365 I HN 0.309 nan 8.210 nan 0.000 0.516 366 N N 6.569 125.338 118.700 0.115 0.000 2.415 366 N HA 0.039 4.779 4.740 -0.000 0.000 0.250 366 N C 0.656 176.226 175.510 0.101 0.000 1.127 366 N CA 0.144 53.255 53.050 0.100 0.000 0.945 366 N CB 1.446 39.993 38.487 0.099 0.000 1.196 366 N HN 0.440 nan 8.380 nan 0.000 0.499 367 V N 3.848 123.806 119.914 0.074 0.000 2.515 367 V HA -0.122 3.998 4.120 -0.000 0.000 0.250 367 V C 2.090 178.221 176.094 0.062 0.000 1.058 367 V CA 2.210 64.550 62.300 0.067 0.000 1.064 367 V CB -0.624 31.234 31.823 0.057 0.000 0.675 367 V HN 0.789 nan 8.190 nan 0.000 0.461 368 G N -0.327 108.501 108.800 0.048 0.000 2.434 368 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.214 368 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.214 368 G C 1.466 176.387 174.900 0.034 0.000 1.202 368 G CA 0.838 45.955 45.100 0.027 0.000 0.788 368 G HN 0.475 nan 8.290 nan 0.000 0.539 369 L N 1.057 122.297 121.223 0.028 0.000 2.156 369 L HA 0.091 4.431 4.340 -0.000 0.000 0.208 369 L C 1.220 178.237 176.870 0.246 0.000 1.095 369 L CA 0.016 54.871 54.840 0.024 0.000 0.770 369 L CB -0.474 41.453 42.059 -0.221 0.000 0.914 369 L HN 0.015 nan 8.230 nan 0.000 0.439 370 S N 0.553 116.429 115.700 0.292 0.000 2.549 370 S HA 0.339 4.809 4.470 -0.000 0.000 0.283 370 S C -0.030 174.667 174.600 0.161 0.000 1.320 370 S CA -0.471 57.902 58.200 0.289 0.000 1.058 370 S CB 1.246 64.545 63.200 0.165 0.000 0.882 370 S HN 0.178 nan 8.310 nan 0.000 0.498 371 V N 0.138 120.127 119.914 0.125 0.000 3.130 371 V HA 0.942 5.061 4.120 -0.000 0.000 0.310 371 V C -0.467 175.648 176.094 0.035 0.000 1.158 371 V CA -0.797 61.550 62.300 0.077 0.000 1.029 371 V CB 2.130 34.007 31.823 0.090 0.000 1.057 371 V HN 0.661 nan 8.190 nan 0.000 0.436 372 S N 0.269 115.985 115.700 0.026 0.000 2.775 372 S HA 0.493 4.963 4.470 -0.000 0.000 0.277 372 S C 0.538 175.147 174.600 0.014 0.000 1.156 372 S CA -0.664 57.542 58.200 0.011 0.000 1.081 372 S CB 1.391 64.594 63.200 0.005 0.000 1.054 372 S HN 0.834 nan 8.310 nan 0.000 0.482 373 R N 2.514 123.022 120.500 0.014 0.000 2.189 373 R HA -0.023 4.317 4.340 -0.000 0.000 0.223 373 R C 1.566 177.872 176.300 0.010 0.000 1.092 373 R CA 1.290 57.399 56.100 0.016 0.000 0.989 373 R CB -0.170 30.140 30.300 0.017 0.000 0.876 373 R HN 0.541 nan 8.270 nan 0.000 0.457 374 V N 0.053 119.969 119.914 0.005 0.000 2.591 374 V HA 0.001 4.121 4.120 -0.000 0.000 0.249 374 V C 1.758 177.852 176.094 -0.000 0.000 1.053 374 V CA 1.153 63.453 62.300 0.000 0.000 1.068 374 V CB -0.852 30.968 31.823 -0.005 0.000 0.689 374 V HN 0.637 nan 8.190 nan 0.000 0.462 375 G N 0.686 109.487 108.800 0.002 0.000 2.632 375 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.322 375 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.322 375 G C 1.211 176.110 174.900 -0.002 0.000 1.326 375 G CA 0.877 45.978 45.100 0.003 0.000 0.986 375 G HN 0.372 nan 8.290 nan 0.000 0.541 376 S N 0.383 116.083 115.700 -0.000 0.000 2.400 376 S HA -0.154 4.315 4.470 -0.000 0.000 0.234 376 S C 2.781 177.376 174.600 -0.008 0.000 1.049 376 S CA 2.341 60.539 58.200 -0.003 0.000 1.039 376 S CB -0.738 62.462 63.200 -0.000 0.000 0.856 376 S HN 1.659 nan 8.310 nan 0.000 0.465 377 A N 0.246 123.061 122.820 -0.007 0.000 2.139 377 A HA 0.159 4.479 4.320 -0.000 0.000 0.221 377 A C 1.568 179.140 177.584 -0.019 0.000 1.159 377 A CA 1.530 53.560 52.037 -0.011 0.000 0.662 377 A CB -0.403 18.593 19.000 -0.007 0.000 0.796 377 A HN 0.553 nan 8.150 nan 0.000 0.463 378 A N -1.245 121.562 122.820 -0.022 0.000 2.643 378 A HA 0.513 4.833 4.320 -0.000 0.000 0.295 378 A C 0.130 177.692 177.584 -0.037 0.000 1.065 378 A CA -0.206 51.810 52.037 -0.035 0.000 0.986 378 A CB 0.010 18.987 19.000 -0.038 0.000 1.212 378 A HN 0.464 nan 8.150 nan 0.000 0.516 379 Q N 0.916 120.700 119.800 -0.028 0.000 2.353 379 Q HA 0.488 4.827 4.340 -0.000 0.000 0.268 379 Q C 0.019 176.005 176.000 -0.024 0.000 1.045 379 Q CA -0.521 55.267 55.803 -0.023 0.000 0.811 379 Q CB 1.769 30.500 28.738 -0.011 0.000 1.305 379 Q HN 0.507 nan 8.270 nan 0.000 0.447 380 T N -0.195 114.344 114.554 -0.025 0.000 2.856 380 T HA 0.095 4.445 4.350 -0.000 0.000 0.306 380 T C 0.999 175.692 174.700 -0.012 0.000 1.062 380 T CA -0.325 61.761 62.100 -0.023 0.000 1.083 380 T CB 1.066 69.920 68.868 -0.022 0.000 0.984 380 T HN 0.822 nan 8.240 nan 0.000 0.542 381 R N 1.115 121.608 120.500 -0.011 0.000 2.096 381 R HA -0.140 4.200 4.340 -0.000 0.000 0.240 381 R C 2.570 178.872 176.300 0.004 0.000 1.139 381 R CA 1.680 57.778 56.100 -0.004 0.000 0.952 381 R CB -1.002 29.294 30.300 -0.005 0.000 0.854 381 R HN 0.866 nan 8.270 nan 0.000 0.436 382 A N 0.325 123.147 122.820 0.004 0.000 1.969 382 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 382 A C 2.020 179.617 177.584 0.021 0.000 1.169 382 A CA 1.431 53.475 52.037 0.013 0.000 0.635 382 A CB -0.384 18.619 19.000 0.006 0.000 0.810 382 A HN 0.446 nan 8.150 nan 0.000 0.445 383 M N -0.257 119.352 119.600 0.015 0.000 2.200 383 M HA 0.030 4.510 4.480 -0.000 0.000 0.265 383 M C 1.735 178.046 176.300 0.018 0.000 1.066 383 M CA 1.704 57.015 55.300 0.020 0.000 1.127 383 M CB -0.453 32.155 32.600 0.013 0.000 1.379 383 M HN 0.311 nan 8.290 nan 0.000 0.420 384 K N -0.226 120.181 120.400 0.011 0.000 2.020 384 K HA -0.285 4.035 4.320 -0.000 0.000 0.212 384 K C 2.148 178.757 176.600 0.016 0.000 1.050 384 K CA 2.335 58.628 56.287 0.010 0.000 0.929 384 K CB -0.367 32.136 32.500 0.005 0.000 0.714 384 K HN 0.598 nan 8.250 nan 0.000 0.443 385 Q N 0.476 120.288 119.800 0.020 0.000 1.956 385 Q HA -0.208 4.131 4.340 -0.000 0.000 0.208 385 Q C 2.011 178.030 176.000 0.032 0.000 0.998 385 Q CA 2.874 58.694 55.803 0.027 0.000 0.855 385 Q CB -0.157 28.602 28.738 0.035 0.000 0.928 385 Q HN 0.301 nan 8.270 nan 0.000 0.418 386 V N -1.198 118.744 119.914 0.046 0.000 2.407 386 V HA -0.152 3.968 4.120 -0.000 0.000 0.248 386 V C 2.270 178.380 176.094 0.027 0.000 1.055 386 V CA 1.785 64.115 62.300 0.049 0.000 1.049 386 V CB -1.705 30.166 31.823 0.080 0.000 0.662 386 V HN 0.476 nan 8.190 nan 0.000 0.455 387 A N 1.613 124.447 122.820 0.024 0.000 1.877 387 A HA 0.018 4.337 4.320 -0.000 0.000 0.216 387 A C 2.452 180.042 177.584 0.011 0.000 1.186 387 A CA 2.081 54.127 52.037 0.016 0.000 0.620 387 A CB -1.586 17.423 19.000 0.016 0.000 0.822 387 A HN 0.691 nan 8.150 nan 0.000 0.443 388 G N -1.106 107.700 108.800 0.010 0.000 2.469 388 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.220 388 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.220 388 G C 1.557 176.459 174.900 0.002 0.000 1.136 388 G CA 1.748 46.852 45.100 0.007 0.000 0.759 388 G HN 0.452 nan 8.290 nan 0.000 0.562 389 T N 0.614 115.167 114.554 -0.002 0.000 2.812 389 T HA -0.054 4.296 4.350 -0.000 0.000 0.264 389 T C 2.262 176.951 174.700 -0.018 0.000 1.042 389 T CA 1.266 63.358 62.100 -0.013 0.000 1.140 389 T CB -0.168 68.686 68.868 -0.022 0.000 0.870 389 T HN 0.305 nan 8.240 nan 0.000 0.445 390 M N 1.101 120.692 119.600 -0.014 0.000 2.175 390 M HA -0.069 4.411 4.480 -0.000 0.000 0.264 390 M C 2.319 178.616 176.300 -0.006 0.000 1.063 390 M CA 1.639 56.928 55.300 -0.018 0.000 1.119 390 M CB -0.133 32.459 32.600 -0.014 0.000 1.377 390 M HN 0.048 nan 8.290 nan 0.000 0.415 391 K N 0.322 120.724 120.400 0.004 0.000 2.057 391 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 391 K C 1.954 178.561 176.600 0.013 0.000 1.050 391 K CA 1.515 57.810 56.287 0.013 0.000 0.935 391 K CB -0.360 32.148 32.500 0.014 0.000 0.715 391 K HN 0.402 nan 8.250 nan 0.000 0.439 392 L N 1.970 123.196 121.223 0.006 0.000 2.017 392 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 392 L C 1.841 178.716 176.870 0.009 0.000 1.073 392 L CA 1.852 56.695 54.840 0.005 0.000 0.745 392 L CB -0.268 41.790 42.059 -0.002 0.000 0.894 392 L HN 0.234 nan 8.230 nan 0.000 0.432 393 E N -0.603 119.598 120.200 0.002 0.000 2.107 393 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 393 E C 2.286 178.912 176.600 0.043 0.000 0.982 393 E CA 1.293 57.696 56.400 0.005 0.000 0.809 393 E CB -0.253 29.429 29.700 -0.029 0.000 0.756 393 E HN 0.505 nan 8.360 nan 0.000 0.459 394 L N 0.707 121.957 121.223 0.045 0.000 2.083 394 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 394 L C 2.571 179.514 176.870 0.122 0.000 1.083 394 L CA 0.887 55.794 54.840 0.112 0.000 0.752 394 L CB -0.451 41.657 42.059 0.080 0.000 0.899 394 L HN 0.158 nan 8.230 nan 0.000 0.433 395 A N -0.245 122.610 122.820 0.058 0.000 1.898 395 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 395 A C 2.215 179.807 177.584 0.013 0.000 1.181 395 A CA 1.421 53.474 52.037 0.026 0.000 0.620 395 A CB -0.391 18.617 19.000 0.013 0.000 0.819 395 A HN 0.473 nan 8.150 nan 0.000 0.442 396 Q N -1.883 117.935 119.800 0.030 0.000 2.084 396 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 396 Q C 2.026 178.040 176.000 0.023 0.000 0.978 396 Q CA 1.729 57.542 55.803 0.017 0.000 0.844 396 Q CB -0.447 28.306 28.738 0.025 0.000 0.898 396 Q HN 0.818 nan 8.270 nan 0.000 0.426 397 Y N 1.732 121.998 120.300 -0.057 0.000 2.128 397 Y HA -0.233 4.317 4.550 -0.000 0.000 0.284 397 Y C 2.034 177.880 175.900 -0.090 0.000 1.154 397 Y CA 1.644 59.705 58.100 -0.066 0.000 1.149 397 Y CB -0.110 38.320 38.460 -0.050 0.000 0.976 397 Y HN -0.117 nan 8.280 nan 0.000 0.505 398 R N 0.302 120.661 120.500 -0.235 0.000 2.159 398 R HA -0.177 4.163 4.340 -0.000 0.000 0.237 398 R C 2.180 178.282 176.300 -0.331 0.000 1.131 398 R CA 1.693 57.592 56.100 -0.335 0.000 0.982 398 R CB -0.236 29.979 30.300 -0.143 0.000 0.868 398 R HN 0.563 nan 8.270 nan 0.000 0.453 399 E N -0.347 119.700 120.200 -0.255 0.000 2.072 399 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 399 E C 1.575 177.880 176.600 -0.492 0.000 0.985 399 E CA 1.309 57.546 56.400 -0.272 0.000 0.801 399 E CB 0.228 29.834 29.700 -0.156 0.000 0.750 399 E HN 0.132 nan 8.360 nan 0.000 0.452 400 V N 0.580 120.194 119.914 -0.500 0.000 3.590 400 V HA 0.077 4.197 4.120 -0.000 0.000 0.265 400 V C 2.005 177.710 176.094 -0.649 0.000 1.239 400 V CA 0.737 62.603 62.300 -0.724 0.000 1.117 400 V CB 0.156 31.817 31.823 -0.269 0.000 0.818 400 V HN 0.224 nan 8.190 nan 0.000 0.451 401 A N 1.206 123.661 122.820 -0.610 0.000 1.969 401 A HA -0.347 3.973 4.320 -0.000 0.000 0.223 401 A C 2.386 179.791 177.584 -0.299 0.000 1.218 401 A CA 2.731 54.419 52.037 -0.582 0.000 0.667 401 A CB -0.692 17.865 19.000 -0.737 0.000 0.826 401 A HN 0.648 nan 8.150 nan 0.000 0.472 402 A N -1.300 121.324 122.820 -0.326 0.000 1.897 402 A HA 0.137 4.457 4.320 -0.000 0.000 0.215 402 A C 1.765 179.437 177.584 0.146 0.000 1.181 402 A CA 1.421 53.406 52.037 -0.088 0.000 0.620 402 A CB -0.634 18.325 19.000 -0.070 0.000 0.821 402 A HN 0.503 nan 8.150 nan 0.000 0.443 403 F N 0.556 120.506 119.950 0.000 0.000 2.451 403 F HA 0.070 4.597 4.527 -0.000 0.000 0.299 403 F C 2.505 178.366 175.800 0.101 0.000 1.101 403 F CA -0.275 57.754 58.000 0.049 0.000 1.436 403 F CB -1.555 37.459 39.000 0.022 0.000 1.074 403 F HN 0.277 nan 8.300 nan 0.000 0.553 404 A N 0.659 123.610 122.820 0.218 0.000 1.849 404 A HA -0.272 4.048 4.320 -0.000 0.000 0.216 404 A C 1.977 179.667 177.584 0.177 0.000 1.225 404 A CA 1.730 53.868 52.037 0.168 0.000 0.653 404 A CB -1.180 17.894 19.000 0.123 0.000 0.844 404 A HN 0.418 nan 8.150 nan 0.000 0.453 405 Q N -1.894 118.017 119.800 0.185 0.000 2.576 405 Q HA 0.044 4.384 4.340 -0.000 0.000 0.219 405 Q C -0.310 175.697 176.000 0.013 0.000 0.976 405 Q CA 0.445 56.309 55.803 0.102 0.000 0.977 405 Q CB -0.183 28.619 28.738 0.106 0.000 0.988 405 Q HN 0.703 nan 8.270 nan 0.000 0.555 406 F N -2.441 117.549 119.950 0.066 0.000 3.022 406 F HA 0.244 4.771 4.527 -0.000 0.000 0.351 406 F C 1.043 176.868 175.800 0.042 0.000 1.170 406 F CA -0.476 57.553 58.000 0.049 0.000 1.066 406 F CB 1.218 40.248 39.000 0.050 0.000 1.297 406 F HN -0.080 nan 8.300 nan 0.000 0.519 407 G N -0.266 108.650 108.800 0.192 0.000 3.943 407 G HA2 0.183 4.143 3.960 -0.000 0.000 0.275 407 G HA3 0.183 4.143 3.960 -0.000 0.000 0.275 407 G C 0.931 175.875 174.900 0.072 0.000 1.234 407 G CA 0.191 45.370 45.100 0.132 0.000 1.522 407 G HN 0.155 nan 8.290 nan 0.000 0.636 408 S N 0.324 116.053 115.700 0.049 0.000 2.400 408 S HA -0.156 4.314 4.470 -0.000 0.000 0.234 408 S C 1.066 175.678 174.600 0.020 0.000 1.049 408 S CA 1.299 59.510 58.200 0.018 0.000 1.039 408 S CB 0.074 63.278 63.200 0.006 0.000 0.856 408 S HN 0.483 nan 8.310 nan 0.000 0.465 409 D N 0.487 120.902 120.400 0.025 0.000 2.513 409 D HA 0.378 5.018 4.640 -0.000 0.000 0.295 409 D C -1.060 175.255 176.300 0.024 0.000 1.202 409 D CA -0.092 53.920 54.000 0.019 0.000 0.849 409 D CB 0.121 40.927 40.800 0.010 0.000 1.116 409 D HN 0.178 nan 8.370 nan 0.000 0.502 410 L N 1.830 123.075 121.223 0.036 0.000 2.334 410 L HA 0.267 4.607 4.340 -0.000 0.000 0.277 410 L C 0.838 177.730 176.870 0.037 0.000 1.075 410 L CA -0.894 53.974 54.840 0.047 0.000 0.804 410 L CB 1.258 43.362 42.059 0.076 0.000 1.174 410 L HN 0.239 nan 8.230 nan 0.000 0.438 411 D N 2.289 122.711 120.400 0.036 0.000 2.399 411 D HA 0.011 4.651 4.640 -0.000 0.000 0.241 411 D C 0.853 177.170 176.300 0.030 0.000 1.133 411 D CA -0.147 53.869 54.000 0.028 0.000 0.890 411 D CB 1.571 42.386 40.800 0.025 0.000 1.201 411 D HN 0.606 nan 8.370 nan 0.000 0.432 412 A N 2.293 125.125 122.820 0.020 0.000 2.093 412 A HA -0.128 4.191 4.320 -0.000 0.000 0.222 412 A C 2.126 179.720 177.584 0.017 0.000 1.162 412 A CA 2.157 54.203 52.037 0.015 0.000 0.655 412 A CB -0.702 18.303 19.000 0.007 0.000 0.805 412 A HN 0.755 nan 8.150 nan 0.000 0.461 413 A N -0.414 122.419 122.820 0.022 0.000 1.832 413 A HA -0.083 4.237 4.320 -0.000 0.000 0.214 413 A C 2.487 180.091 177.584 0.033 0.000 1.200 413 A CA 2.486 54.536 52.037 0.023 0.000 0.610 413 A CB -1.382 17.633 19.000 0.025 0.000 0.842 413 A HN 0.878 nan 8.150 nan 0.000 0.444 414 T N -2.568 112.017 114.554 0.051 0.000 2.995 414 T HA -0.115 4.235 4.350 -0.000 0.000 0.269 414 T C 1.857 176.599 174.700 0.070 0.000 1.091 414 T CA 1.497 63.640 62.100 0.071 0.000 1.128 414 T CB -0.259 68.676 68.868 0.111 0.000 0.891 414 T HN 0.532 nan 8.240 nan 0.000 0.492 415 Q N 0.126 119.959 119.800 0.055 0.000 2.167 415 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 415 Q C 2.423 178.442 176.000 0.032 0.000 0.970 415 Q CA 1.425 57.256 55.803 0.047 0.000 0.855 415 Q CB -0.105 28.654 28.738 0.034 0.000 0.911 415 Q HN 0.625 nan 8.270 nan 0.000 0.438 416 Q N 0.129 119.940 119.800 0.019 0.000 2.187 416 Q HA -0.048 4.292 4.340 -0.000 0.000 0.199 416 Q C 1.727 177.728 176.000 0.002 0.000 0.957 416 Q CA 1.069 56.871 55.803 -0.002 0.000 0.857 416 Q CB -0.079 28.651 28.738 -0.013 0.000 0.929 416 Q HN 0.453 nan 8.270 nan 0.000 0.453 417 L N -0.287 120.955 121.223 0.030 0.000 2.093 417 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 417 L C 2.193 179.127 176.870 0.108 0.000 1.085 417 L CA 0.932 55.805 54.840 0.056 0.000 0.755 417 L CB -0.453 41.648 42.059 0.070 0.000 0.904 417 L HN 0.279 nan 8.230 nan 0.000 0.435 418 L N -1.316 119.982 121.223 0.125 0.000 2.093 418 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 418 L C 2.709 179.591 176.870 0.021 0.000 1.085 418 L CA 0.846 55.797 54.840 0.186 0.000 0.755 418 L CB -0.538 41.621 42.059 0.166 0.000 0.904 418 L HN 0.137 nan 8.230 nan 0.000 0.435 419 S N -0.679 115.012 115.700 -0.016 0.000 2.355 419 S HA -0.109 4.361 4.470 -0.000 0.000 0.222 419 S C 2.167 176.688 174.600 -0.132 0.000 1.031 419 S CA 0.896 59.056 58.200 -0.067 0.000 0.993 419 S CB -0.116 63.054 63.200 -0.050 0.000 0.859 419 S HN 0.269 nan 8.310 nan 0.000 0.453 420 R N 0.858 121.281 120.500 -0.128 0.000 2.083 420 R HA -0.051 4.289 4.340 -0.000 0.000 0.237 420 R C 2.515 178.654 176.300 -0.268 0.000 1.137 420 R CA 1.551 57.552 56.100 -0.164 0.000 0.951 420 R CB -1.503 28.725 30.300 -0.121 0.000 0.851 420 R HN 0.498 nan 8.270 nan 0.000 0.434 421 G N 0.886 109.441 108.800 -0.408 0.000 2.491 421 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 421 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 421 G C 1.571 175.904 174.900 -0.946 0.000 1.180 421 G CA 1.875 46.405 45.100 -0.950 0.000 0.774 421 G HN 0.329 nan 8.290 nan 0.000 0.562 422 V N -0.175 119.298 119.914 -0.735 0.000 2.255 422 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 422 V C 2.728 178.677 176.094 -0.243 0.000 1.051 422 V CA 2.461 64.541 62.300 -0.366 0.000 1.018 422 V CB -0.819 30.905 31.823 -0.165 0.000 0.641 422 V HN 0.201 nan 8.190 nan 0.000 0.445 423 R N 0.787 121.158 120.500 -0.214 0.000 2.094 423 R HA -0.043 4.297 4.340 -0.000 0.000 0.239 423 R C 2.339 178.547 176.300 -0.154 0.000 1.137 423 R CA 2.325 58.327 56.100 -0.163 0.000 0.943 423 R CB -1.456 28.746 30.300 -0.164 0.000 0.850 423 R HN 0.635 nan 8.270 nan 0.000 0.433 424 L N -0.336 120.777 121.223 -0.183 0.000 2.042 424 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 424 L C 2.201 179.006 176.870 -0.108 0.000 1.076 424 L CA 1.853 56.612 54.840 -0.135 0.000 0.749 424 L CB -0.889 41.091 42.059 -0.133 0.000 0.893 424 L HN 0.288 nan 8.230 nan 0.000 0.432 425 T N -0.875 113.592 114.554 -0.144 0.000 2.665 425 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 425 T C 1.795 176.463 174.700 -0.054 0.000 1.035 425 T CA 1.341 63.393 62.100 -0.081 0.000 1.151 425 T CB -0.177 68.638 68.868 -0.089 0.000 0.862 425 T HN 0.313 nan 8.240 nan 0.000 0.438 426 E N 1.251 121.411 120.200 -0.066 0.000 2.038 426 E HA -0.072 4.278 4.350 -0.000 0.000 0.195 426 E C 2.317 178.902 176.600 -0.025 0.000 1.000 426 E CA 0.934 57.311 56.400 -0.039 0.000 0.803 426 E CB -0.551 29.124 29.700 -0.041 0.000 0.750 426 E HN 0.500 nan 8.360 nan 0.000 0.448 427 L N 0.564 121.768 121.223 -0.032 0.000 2.353 427 L HA -0.137 4.203 4.340 -0.000 0.000 0.220 427 L C 2.412 179.280 176.870 -0.004 0.000 1.133 427 L CA 0.514 55.349 54.840 -0.009 0.000 0.798 427 L CB -0.415 41.635 42.059 -0.014 0.000 0.922 427 L HN 0.067 nan 8.230 nan 0.000 0.445 428 L N -0.584 120.630 121.223 -0.014 0.000 2.418 428 L HA -0.004 4.336 4.340 -0.000 0.000 0.218 428 L C 1.011 177.875 176.870 -0.011 0.000 1.125 428 L CA 0.285 55.120 54.840 -0.007 0.000 0.835 428 L CB -0.170 41.886 42.059 -0.005 0.000 0.953 428 L HN 0.179 nan 8.230 nan 0.000 0.454 429 K N 1.274 121.664 120.400 -0.017 0.000 2.382 429 K HA 0.152 4.472 4.320 -0.000 0.000 0.275 429 K C -0.158 176.429 176.600 -0.021 0.000 1.009 429 K CA 0.326 56.596 56.287 -0.029 0.000 0.970 429 K CB 0.652 33.133 32.500 -0.032 0.000 0.934 429 K HN 0.006 nan 8.250 nan 0.000 0.479 430 Q N 0.548 120.327 119.800 -0.035 0.000 2.295 430 Q HA 0.267 4.607 4.340 -0.000 0.000 0.268 430 Q C -0.788 175.181 176.000 -0.052 0.000 1.010 430 Q CA -0.533 55.252 55.803 -0.029 0.000 0.856 430 Q CB 1.804 30.529 28.738 -0.022 0.000 1.349 430 Q HN 0.825 nan 8.270 nan 0.000 0.412 431 G N 1.818 110.594 108.800 -0.040 0.000 2.636 431 G HA2 0.096 4.056 3.960 -0.000 0.000 0.246 431 G HA3 0.096 4.056 3.960 -0.000 0.000 0.246 431 G C -0.441 174.405 174.900 -0.089 0.000 1.216 431 G CA -0.142 44.925 45.100 -0.056 0.000 0.854 431 G HN 0.655 nan 8.290 nan 0.000 0.572 432 Q N -1.009 118.694 119.800 -0.162 0.000 2.382 432 Q HA 0.271 4.611 4.340 -0.000 0.000 0.229 432 Q C -0.157 175.700 176.000 -0.238 0.000 1.006 432 Q CA -0.477 55.109 55.803 -0.361 0.000 0.916 432 Q CB 0.237 28.562 28.738 -0.687 0.000 1.235 432 Q HN 0.632 nan 8.270 nan 0.000 0.512 433 Y N -0.996 119.302 120.300 -0.003 0.000 4.753 433 Y HA -0.282 4.268 4.550 -0.000 0.000 0.232 433 Y C -0.026 175.867 175.900 -0.012 0.000 1.029 433 Y CA 1.040 59.134 58.100 -0.010 0.000 1.996 433 Y CB -2.503 35.950 38.460 -0.012 0.000 1.602 433 Y HN 0.479 nan 8.280 nan 0.000 0.621 434 S N -0.856 114.890 115.700 0.077 0.000 2.112 434 S HA 0.538 5.008 4.470 -0.000 0.000 0.151 434 S C -2.541 172.068 174.600 0.016 0.000 1.723 434 S CA -1.214 57.013 58.200 0.045 0.000 1.263 434 S CB 1.598 64.820 63.200 0.036 0.000 1.194 434 S HN 0.068 nan 8.310 nan 0.000 0.419 435 P HA 0.256 nan 4.420 nan 0.000 0.271 435 P C -0.196 177.097 177.300 -0.011 0.000 1.226 435 P CA -0.167 62.934 63.100 0.003 0.000 0.765 435 P CB 0.613 32.316 31.700 0.007 0.000 0.835 436 M N 1.824 121.420 119.600 -0.006 0.000 2.444 436 M HA 0.680 5.160 4.480 -0.000 0.000 0.319 436 M C 0.386 176.680 176.300 -0.010 0.000 1.183 436 M CA -1.086 54.205 55.300 -0.014 0.000 1.032 436 M CB 1.274 33.871 32.600 -0.004 0.000 1.569 436 M HN 0.190 nan 8.290 nan 0.000 0.468 437 A N 1.193 123.999 122.820 -0.023 0.000 2.386 437 A HA 0.294 4.614 4.320 -0.000 0.000 0.248 437 A C 0.928 178.524 177.584 0.021 0.000 1.082 437 A CA -0.537 51.497 52.037 -0.005 0.000 0.789 437 A CB 0.116 19.098 19.000 -0.029 0.000 1.025 437 A HN 0.967 nan 8.150 nan 0.000 0.490 438 I N 0.605 121.205 120.570 0.050 0.000 2.194 438 I HA -0.243 3.927 4.170 -0.000 0.000 0.246 438 I C 1.964 178.094 176.117 0.022 0.000 1.093 438 I CA 2.221 63.545 61.300 0.040 0.000 1.355 438 I CB -0.316 37.711 38.000 0.045 0.000 1.046 438 I HN 0.829 nan 8.210 nan 0.000 0.413 439 E N 0.261 120.466 120.200 0.010 0.000 2.150 439 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 439 E C 2.037 178.632 176.600 -0.009 0.000 0.985 439 E CA 1.468 57.863 56.400 -0.007 0.000 0.814 439 E CB -0.343 29.342 29.700 -0.024 0.000 0.752 439 E HN 0.603 nan 8.360 nan 0.000 0.466 440 E N 0.831 121.024 120.200 -0.012 0.000 2.107 440 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 440 E C 2.095 178.714 176.600 0.031 0.000 0.982 440 E CA 0.816 57.209 56.400 -0.011 0.000 0.809 440 E CB -0.072 29.611 29.700 -0.028 0.000 0.756 440 E HN 0.308 nan 8.360 nan 0.000 0.459 441 Q N 0.441 120.259 119.800 0.030 0.000 2.061 441 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 441 Q C 2.647 178.685 176.000 0.063 0.000 0.984 441 Q CA 2.024 57.854 55.803 0.044 0.000 0.846 441 Q CB -0.323 28.435 28.738 0.035 0.000 0.902 441 Q HN 0.364 nan 8.270 nan 0.000 0.421 442 V N -1.806 118.141 119.914 0.056 0.000 2.427 442 V HA -0.118 4.002 4.120 -0.000 0.000 0.248 442 V C 2.122 178.288 176.094 0.120 0.000 1.051 442 V CA 1.679 64.023 62.300 0.074 0.000 1.048 442 V CB -1.041 30.811 31.823 0.048 0.000 0.666 442 V HN 0.282 nan 8.190 nan 0.000 0.456 443 A N 1.388 124.269 122.820 0.102 0.000 1.877 443 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 443 A C 2.514 180.286 177.584 0.315 0.000 1.186 443 A CA 2.792 54.931 52.037 0.169 0.000 0.620 443 A CB -1.058 18.009 19.000 0.112 0.000 0.822 443 A HN 1.233 nan 8.150 nan 0.000 0.443 444 V N -1.593 118.477 119.914 0.260 0.000 2.358 444 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 444 V C 2.131 178.307 176.094 0.136 0.000 1.047 444 V CA 1.728 64.160 62.300 0.220 0.000 1.035 444 V CB -0.876 31.052 31.823 0.174 0.000 0.658 444 V HN 0.401 nan 8.190 nan 0.000 0.452 445 I N -0.000 120.645 120.570 0.125 0.000 2.179 445 I HA -0.190 3.980 4.170 -0.000 0.000 0.242 445 I C 2.573 178.747 176.117 0.095 0.000 1.088 445 I CA 2.340 63.688 61.300 0.081 0.000 1.357 445 I CB -1.590 36.452 38.000 0.070 0.000 1.051 445 I HN 0.501 nan 8.210 nan 0.000 0.409 446 Y N 2.333 122.654 120.300 0.036 0.000 2.030 446 Y HA -0.380 4.170 4.550 -0.000 0.000 0.272 446 Y C 2.685 178.620 175.900 0.059 0.000 1.185 446 Y CA 2.448 60.578 58.100 0.050 0.000 1.120 446 Y CB -0.548 37.962 38.460 0.083 0.000 0.955 446 Y HN 0.155 nan 8.280 nan 0.000 0.495 447 A N 0.053 122.972 122.820 0.165 0.000 1.896 447 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 447 A C 2.481 180.015 177.584 -0.084 0.000 1.206 447 A CA 2.506 54.564 52.037 0.036 0.000 0.647 447 A CB -1.801 17.124 19.000 -0.125 0.000 0.828 447 A HN 0.676 nan 8.150 nan 0.000 0.455 448 G N -1.711 107.021 108.800 -0.113 0.000 2.408 448 G HA2 0.044 4.004 3.960 -0.000 0.000 0.213 448 G HA3 0.044 4.004 3.960 -0.000 0.000 0.213 448 G C 1.451 176.239 174.900 -0.187 0.000 1.177 448 G CA 0.877 45.884 45.100 -0.154 0.000 0.802 448 G HN 0.354 nan 8.290 nan 0.000 0.533 449 V N 0.637 120.452 119.914 -0.165 0.000 2.913 449 V HA 0.007 4.127 4.120 -0.000 0.000 0.260 449 V C 2.427 178.365 176.094 -0.259 0.000 1.098 449 V CA 1.101 63.299 62.300 -0.169 0.000 1.121 449 V CB -0.318 31.443 31.823 -0.103 0.000 0.714 449 V HN 0.152 nan 8.190 nan 0.000 0.487 450 R N -0.367 119.892 120.500 -0.401 0.000 2.334 450 R HA 0.255 4.594 4.340 -0.000 0.000 0.216 450 R C 1.707 177.618 176.300 -0.648 0.000 0.905 450 R CA 0.614 56.363 56.100 -0.585 0.000 1.064 450 R CB -0.198 29.556 30.300 -0.909 0.000 1.046 450 R HN 0.519 nan 8.270 nan 0.000 0.508 451 G N 0.358 108.894 108.800 -0.440 0.000 2.179 451 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.260 451 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.260 451 G C 0.650 175.345 174.900 -0.340 0.000 0.977 451 G CA 0.509 45.392 45.100 -0.361 0.000 0.641 451 G HN 0.326 nan 8.290 nan 0.000 0.533 452 Y N 0.284 120.458 120.300 -0.210 0.000 2.256 452 Y HA 0.067 4.616 4.550 -0.000 0.000 0.288 452 Y C 2.711 178.463 175.900 -0.247 0.000 1.155 452 Y CA 1.714 59.696 58.100 -0.198 0.000 1.203 452 Y CB -0.258 38.087 38.460 -0.192 0.000 0.980 452 Y HN 0.402 nan 8.280 nan 0.000 0.530 453 L N -0.469 120.652 121.223 -0.169 0.000 2.653 453 L HA 0.069 4.409 4.340 -0.000 0.000 0.231 453 L C 0.968 177.727 176.870 -0.185 0.000 1.153 453 L CA -0.021 54.656 54.840 -0.272 0.000 0.933 453 L CB -0.204 41.633 42.059 -0.371 0.000 1.175 453 L HN 0.027 nan 8.230 nan 0.000 0.473 454 D N 1.285 121.597 120.400 -0.147 0.000 2.144 454 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 454 D C 1.833 178.080 176.300 -0.089 0.000 0.984 454 D CA 1.354 55.282 54.000 -0.120 0.000 0.834 454 D CB 0.154 40.885 40.800 -0.116 0.000 0.955 454 D HN 0.254 nan 8.370 nan 0.000 0.465 455 K N -0.375 119.980 120.400 -0.075 0.000 2.444 455 K HA 0.075 4.395 4.320 -0.000 0.000 0.193 455 K C 0.314 176.887 176.600 -0.044 0.000 1.024 455 K CA -0.401 55.857 56.287 -0.047 0.000 1.077 455 K CB 0.435 32.919 32.500 -0.027 0.000 0.833 455 K HN 0.024 nan 8.250 nan 0.000 0.517 456 L N 2.034 123.209 121.223 -0.079 0.000 2.397 456 L HA 0.098 4.438 4.340 -0.000 0.000 0.271 456 L C 0.011 176.860 176.870 -0.035 0.000 1.148 456 L CA -0.028 54.776 54.840 -0.061 0.000 0.825 456 L CB 0.802 42.763 42.059 -0.163 0.000 1.117 456 L HN 0.038 nan 8.230 nan 0.000 0.456 457 E N 6.260 126.468 120.200 0.012 0.000 2.324 457 E HA 0.090 4.440 4.350 -0.000 0.000 0.271 457 E C -1.718 174.891 176.600 0.015 0.000 1.028 457 E CA -1.379 55.030 56.400 0.015 0.000 0.890 457 E CB 1.040 30.759 29.700 0.032 0.000 1.004 457 E HN 0.514 nan 8.360 nan 0.000 0.431 458 P HA -0.224 nan 4.420 nan 0.000 0.217 458 P C 0.971 178.281 177.300 0.017 0.000 1.151 458 P CA 1.439 64.533 63.100 -0.010 0.000 0.849 458 P CB 0.083 31.773 31.700 -0.016 0.000 0.787 459 S N -0.997 114.723 115.700 0.033 0.000 2.447 459 S HA -0.081 4.389 4.470 -0.000 0.000 0.233 459 S C 1.587 176.238 174.600 0.084 0.000 1.006 459 S CA 1.114 59.343 58.200 0.048 0.000 0.957 459 S CB -0.572 62.654 63.200 0.043 0.000 0.773 459 S HN 0.141 nan 8.310 nan 0.000 0.507 460 K N 0.951 121.421 120.400 0.117 0.000 2.323 460 K HA 0.373 4.693 4.320 -0.000 0.000 0.197 460 K C 1.711 178.445 176.600 0.222 0.000 1.043 460 K CA 0.027 56.450 56.287 0.227 0.000 0.997 460 K CB -0.338 32.362 32.500 0.334 0.000 0.807 460 K HN 0.217 nan 8.250 nan 0.000 0.497 461 I N 1.315 121.946 120.570 0.101 0.000 2.113 461 I HA -0.379 3.791 4.170 -0.000 0.000 0.242 461 I C 1.552 177.738 176.117 0.115 0.000 1.057 461 I CA 1.828 63.157 61.300 0.048 0.000 1.314 461 I CB -1.404 36.585 38.000 -0.018 0.000 1.022 461 I HN 0.192 nan 8.210 nan 0.000 0.408 462 T N 0.705 115.319 114.554 0.100 0.000 2.720 462 T HA -0.240 4.110 4.350 -0.000 0.000 0.268 462 T C 1.974 176.756 174.700 0.136 0.000 1.037 462 T CA 1.799 63.957 62.100 0.096 0.000 1.144 462 T CB -0.218 68.691 68.868 0.069 0.000 0.864 462 T HN 0.367 nan 8.240 nan 0.000 0.444 463 K N 0.112 120.630 120.400 0.197 0.000 2.025 463 K HA -0.090 4.230 4.320 -0.000 0.000 0.207 463 K C 2.131 178.863 176.600 0.220 0.000 1.049 463 K CA 1.093 57.537 56.287 0.263 0.000 0.933 463 K CB -0.375 32.360 32.500 0.391 0.000 0.714 463 K HN 0.307 nan 8.250 nan 0.000 0.438 464 F N 2.608 122.494 119.950 -0.106 0.000 2.063 464 F HA -0.280 4.247 4.527 -0.000 0.000 0.298 464 F C 2.361 178.092 175.800 -0.115 0.000 1.109 464 F CA 2.289 59.984 58.000 -0.508 0.000 1.212 464 F CB -0.376 38.272 39.000 -0.587 0.000 0.973 464 F HN 0.229 nan 8.300 nan 0.000 0.480 465 E N 0.145 120.437 120.200 0.155 0.000 2.086 465 E HA -0.347 4.003 4.350 -0.000 0.000 0.200 465 E C 2.244 178.879 176.600 0.057 0.000 1.012 465 E CA 1.648 58.129 56.400 0.134 0.000 0.812 465 E CB -0.620 29.162 29.700 0.137 0.000 0.743 465 E HN 0.627 nan 8.360 nan 0.000 0.453 466 N N -0.294 118.438 118.700 0.052 0.000 2.084 466 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 466 N C 1.921 177.443 175.510 0.020 0.000 1.030 466 N CA 1.246 54.320 53.050 0.040 0.000 0.849 466 N CB -0.107 38.418 38.487 0.063 0.000 1.012 466 N HN 0.167 nan 8.380 nan 0.000 0.423 467 A N 0.755 123.605 122.820 0.051 0.000 1.877 467 A HA -0.149 4.170 4.320 -0.000 0.000 0.216 467 A C 2.026 179.594 177.584 -0.026 0.000 1.186 467 A CA 1.088 53.204 52.037 0.131 0.000 0.620 467 A CB -1.113 18.069 19.000 0.304 0.000 0.822 467 A HN 0.532 nan 8.150 nan 0.000 0.443 468 F N 0.231 119.834 119.950 -0.577 0.000 2.095 468 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 468 F C 1.830 177.313 175.800 -0.529 0.000 1.104 468 F CA 1.867 59.200 58.000 -1.111 0.000 1.232 468 F CB -0.408 37.870 39.000 -1.203 0.000 0.987 468 F HN 0.191 nan 8.300 nan 0.000 0.475 469 L N 0.197 121.197 121.223 -0.372 0.000 2.083 469 L HA -0.158 4.181 4.340 -0.000 0.000 0.209 469 L C 2.412 179.116 176.870 -0.276 0.000 1.083 469 L CA 2.165 56.803 54.840 -0.338 0.000 0.752 469 L CB -1.060 40.944 42.059 -0.091 0.000 0.899 469 L HN 0.187 nan 8.230 nan 0.000 0.433 470 S N -1.602 114.002 115.700 -0.161 0.000 2.382 470 S HA -0.246 4.224 4.470 -0.000 0.000 0.228 470 S C 1.917 176.469 174.600 -0.079 0.000 1.027 470 S CA 1.274 59.423 58.200 -0.084 0.000 0.991 470 S CB -0.707 62.490 63.200 -0.005 0.000 0.823 470 S HN 0.684 nan 8.310 nan 0.000 0.469 471 H N 2.223 121.159 119.070 -0.223 0.000 2.293 471 H HA -0.051 4.505 4.556 -0.000 0.000 0.300 471 H C 2.226 177.426 175.328 -0.214 0.000 1.082 471 H CA 2.055 57.995 56.048 -0.179 0.000 1.308 471 H CB -0.699 28.936 29.762 -0.211 0.000 1.375 471 H HN 0.221 nan 8.280 nan 0.000 0.495 472 V N -0.481 119.098 119.914 -0.558 0.000 2.407 472 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 472 V C 2.373 178.285 176.094 -0.303 0.000 1.055 472 V CA 2.050 64.059 62.300 -0.485 0.000 1.049 472 V CB -0.848 30.603 31.823 -0.621 0.000 0.662 472 V HN 0.466 nan 8.190 nan 0.000 0.455 473 I N 0.811 121.226 120.570 -0.260 0.000 2.567 473 I HA -0.162 4.008 4.170 -0.000 0.000 0.257 473 I C 2.718 178.744 176.117 -0.153 0.000 1.184 473 I CA 1.731 62.927 61.300 -0.173 0.000 1.451 473 I CB -0.270 37.649 38.000 -0.135 0.000 1.089 473 I HN 0.517 nan 8.210 nan 0.000 0.441 474 S N 0.198 115.795 115.700 -0.171 0.000 2.339 474 S HA -0.069 4.401 4.470 -0.000 0.000 0.213 474 S C 1.852 176.331 174.600 -0.202 0.000 1.033 474 S CA 0.724 58.840 58.200 -0.140 0.000 0.950 474 S CB 0.056 63.213 63.200 -0.072 0.000 0.893 474 S HN 0.387 nan 8.310 nan 0.000 0.492 475 Q N -0.896 118.706 119.800 -0.330 0.000 2.402 475 Q HA 0.120 4.460 4.340 -0.000 0.000 0.206 475 Q C -0.005 175.541 176.000 -0.756 0.000 0.919 475 Q CA 0.536 56.032 55.803 -0.511 0.000 0.923 475 Q CB 0.280 28.655 28.738 -0.604 0.000 1.048 475 Q HN 0.672 nan 8.270 nan 0.000 0.515 476 H N -0.296 118.593 119.070 -0.302 0.000 2.528 476 H HA 0.167 4.723 4.556 -0.000 0.000 0.256 476 H C 0.834 176.044 175.328 -0.196 0.000 1.204 476 H CA -0.264 55.635 56.048 -0.248 0.000 0.955 476 H CB 0.647 30.223 29.762 -0.310 0.000 1.817 476 H HN -0.003 nan 8.280 nan 0.000 0.579 477 Q N 0.650 120.381 119.800 -0.114 0.000 2.181 477 Q HA -0.091 4.249 4.340 -0.000 0.000 0.205 477 Q C 2.235 178.196 176.000 -0.064 0.000 0.980 477 Q CA 1.230 56.978 55.803 -0.091 0.000 0.862 477 Q CB 0.017 28.700 28.738 -0.092 0.000 0.905 477 Q HN 0.656 nan 8.270 nan 0.000 0.429 478 A N 0.639 123.426 122.820 -0.054 0.000 1.930 478 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 478 A C 2.059 179.624 177.584 -0.031 0.000 1.175 478 A CA 0.808 52.823 52.037 -0.037 0.000 0.627 478 A CB -0.560 18.423 19.000 -0.029 0.000 0.815 478 A HN 0.370 nan 8.150 nan 0.000 0.443 479 L N -0.537 120.672 121.223 -0.024 0.000 2.072 479 L HA -0.088 4.252 4.340 -0.000 0.000 0.205 479 L C 2.386 179.216 176.870 -0.067 0.000 1.079 479 L CA 1.386 56.198 54.840 -0.047 0.000 0.752 479 L CB -0.377 41.643 42.059 -0.064 0.000 0.906 479 L HN 0.420 nan 8.230 nan 0.000 0.436 480 L N -0.520 120.661 121.223 -0.070 0.000 2.046 480 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 480 L C 2.643 179.482 176.870 -0.053 0.000 1.077 480 L CA 1.290 56.087 54.840 -0.072 0.000 0.747 480 L CB -1.118 40.892 42.059 -0.081 0.000 0.896 480 L HN 0.342 nan 8.230 nan 0.000 0.432 481 G N 0.031 108.802 108.800 -0.047 0.000 2.446 481 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 481 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 481 G C 1.667 176.548 174.900 -0.032 0.000 1.168 481 G CA 0.674 45.752 45.100 -0.036 0.000 0.771 481 G HN 0.287 nan 8.290 nan 0.000 0.551 482 K N 0.002 120.381 120.400 -0.036 0.000 2.009 482 K HA -0.026 4.294 4.320 -0.000 0.000 0.210 482 K C 2.462 179.041 176.600 -0.034 0.000 1.049 482 K CA 1.262 57.529 56.287 -0.033 0.000 0.929 482 K CB -0.341 32.138 32.500 -0.035 0.000 0.714 482 K HN 0.321 nan 8.250 nan 0.000 0.440 483 I N 0.813 121.356 120.570 -0.045 0.000 2.194 483 I HA -0.344 3.826 4.170 -0.000 0.000 0.246 483 I C 2.741 178.841 176.117 -0.028 0.000 1.093 483 I CA 1.246 62.520 61.300 -0.044 0.000 1.355 483 I CB -0.311 37.654 38.000 -0.058 0.000 1.046 483 I HN 0.235 nan 8.210 nan 0.000 0.413 484 R N 0.679 121.164 120.500 -0.025 0.000 2.089 484 R HA -0.149 4.191 4.340 -0.000 0.000 0.222 484 R C 2.358 178.649 176.300 -0.015 0.000 1.151 484 R CA 2.372 58.462 56.100 -0.015 0.000 0.908 484 R CB -0.679 29.614 30.300 -0.011 0.000 0.813 484 R HN 0.140 nan 8.270 nan 0.000 0.440 485 T N 1.350 115.895 114.554 -0.016 0.000 2.649 485 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 485 T C 1.127 175.818 174.700 -0.015 0.000 1.036 485 T CA 2.147 64.238 62.100 -0.015 0.000 1.157 485 T CB -0.533 68.326 68.868 -0.015 0.000 0.861 485 T HN 0.392 nan 8.240 nan 0.000 0.445 486 D N -0.058 120.332 120.400 -0.017 0.000 2.392 486 D HA 0.202 4.842 4.640 -0.000 0.000 0.228 486 D C 1.697 177.989 176.300 -0.013 0.000 1.003 486 D CA 0.913 54.904 54.000 -0.015 0.000 0.917 486 D CB -0.588 40.202 40.800 -0.016 0.000 0.890 486 D HN 0.525 nan 8.370 nan 0.000 0.532 487 G N 0.520 109.311 108.800 -0.014 0.000 2.779 487 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.230 487 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.230 487 G C 0.642 175.536 174.900 -0.010 0.000 1.243 487 G CA 1.097 46.189 45.100 -0.013 0.000 0.769 487 G HN 0.573 nan 8.290 nan 0.000 0.516 488 K N -0.774 119.621 120.400 -0.009 0.000 2.137 488 K HA 0.790 5.110 4.320 -0.000 0.000 0.251 488 K C -0.901 175.692 176.600 -0.011 0.000 1.048 488 K CA -1.219 55.066 56.287 -0.004 0.000 0.873 488 K CB 1.006 33.509 32.500 0.004 0.000 1.442 488 K HN 0.128 nan 8.250 nan 0.000 0.467 489 I N 2.767 123.334 120.570 -0.004 0.000 2.294 489 I HA 0.059 4.229 4.170 -0.000 0.000 0.295 489 I C 0.212 176.326 176.117 -0.005 0.000 1.098 489 I CA 0.200 61.488 61.300 -0.019 0.000 1.277 489 I CB 0.808 38.805 38.000 -0.005 0.000 1.434 489 I HN 0.653 nan 8.210 nan 0.000 0.498 490 S N 3.374 119.064 115.700 -0.016 0.000 2.608 490 S HA 0.175 4.645 4.470 -0.000 0.000 0.261 490 S C 1.222 175.823 174.600 0.002 0.000 1.314 490 S CA -0.453 57.744 58.200 -0.005 0.000 0.992 490 S CB 0.908 64.102 63.200 -0.009 0.000 0.935 490 S HN 0.699 nan 8.310 nan 0.000 0.564 491 E N 0.665 120.871 120.200 0.011 0.000 2.085 491 E HA -0.219 4.130 4.350 -0.000 0.000 0.194 491 E C 1.837 178.447 176.600 0.016 0.000 0.994 491 E CA 1.761 58.173 56.400 0.021 0.000 0.801 491 E CB -0.157 29.555 29.700 0.020 0.000 0.743 491 E HN 0.817 nan 8.360 nan 0.000 0.453 492 E N -0.079 120.124 120.200 0.004 0.000 2.007 492 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 492 E C 2.316 178.906 176.600 -0.017 0.000 0.999 492 E CA 1.313 57.712 56.400 -0.002 0.000 0.811 492 E CB -0.155 29.542 29.700 -0.005 0.000 0.762 492 E HN 0.097 nan 8.360 nan 0.000 0.450 493 S N 0.979 116.657 115.700 -0.036 0.000 2.372 493 S HA -0.266 4.204 4.470 -0.000 0.000 0.227 493 S C 1.754 176.291 174.600 -0.105 0.000 1.044 493 S CA 1.854 60.008 58.200 -0.078 0.000 1.050 493 S CB -0.443 62.703 63.200 -0.089 0.000 0.901 493 S HN 0.287 nan 8.310 nan 0.000 0.447 494 D N 0.613 120.977 120.400 -0.059 0.000 2.149 494 D HA -0.046 4.594 4.640 -0.000 0.000 0.198 494 D C 1.913 178.255 176.300 0.069 0.000 0.990 494 D CA 1.144 55.147 54.000 0.003 0.000 0.839 494 D CB -0.191 40.669 40.800 0.100 0.000 0.948 494 D HN 0.387 nan 8.370 nan 0.000 0.460 495 A N 0.132 122.977 122.820 0.041 0.000 1.897 495 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 495 A C 2.083 179.682 177.584 0.026 0.000 1.181 495 A CA 1.168 53.236 52.037 0.052 0.000 0.620 495 A CB -0.426 18.596 19.000 0.037 0.000 0.821 495 A HN 0.124 nan 8.150 nan 0.000 0.443 496 K N -0.407 119.984 120.400 -0.015 0.000 2.217 496 K HA 0.048 4.368 4.320 -0.000 0.000 0.202 496 K C 1.792 178.343 176.600 -0.082 0.000 1.051 496 K CA 0.734 56.995 56.287 -0.044 0.000 0.952 496 K CB -0.213 32.251 32.500 -0.060 0.000 0.736 496 K HN 0.479 nan 8.250 nan 0.000 0.453 497 L N 0.863 122.031 121.223 -0.091 0.000 2.093 497 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 497 L C 2.585 179.454 176.870 -0.002 0.000 1.085 497 L CA 1.193 55.977 54.840 -0.094 0.000 0.755 497 L CB -0.298 41.572 42.059 -0.316 0.000 0.904 497 L HN 0.191 nan 8.230 nan 0.000 0.435 498 K N 0.279 120.714 120.400 0.058 0.000 2.032 498 K HA -0.257 4.063 4.320 -0.000 0.000 0.209 498 K C 1.927 178.474 176.600 -0.088 0.000 1.048 498 K CA 1.845 58.131 56.287 -0.002 0.000 0.927 498 K CB 0.104 32.692 32.500 0.147 0.000 0.712 498 K HN 0.175 nan 8.250 nan 0.000 0.441 499 E N 0.605 120.793 120.200 -0.020 0.000 2.072 499 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 499 E C 1.896 178.505 176.600 0.015 0.000 0.985 499 E CA 1.220 57.622 56.400 0.003 0.000 0.801 499 E CB -0.033 29.679 29.700 0.019 0.000 0.750 499 E HN 0.321 nan 8.360 nan 0.000 0.452 500 I N -0.140 120.425 120.570 -0.008 0.000 2.113 500 I HA -0.272 3.898 4.170 -0.000 0.000 0.238 500 I C 2.080 178.297 176.117 0.167 0.000 1.070 500 I CA 0.874 62.209 61.300 0.059 0.000 1.332 500 I CB -0.303 37.639 38.000 -0.095 0.000 1.044 500 I HN 0.011 nan 8.210 nan 0.000 0.402 501 V N 0.893 120.846 119.914 0.064 0.000 2.255 501 V HA -0.316 3.804 4.120 -0.000 0.000 0.247 501 V C 2.732 178.847 176.094 0.035 0.000 1.051 501 V CA 2.604 64.914 62.300 0.016 0.000 1.018 501 V CB -1.596 30.024 31.823 -0.340 0.000 0.641 501 V HN 0.659 nan 8.190 nan 0.000 0.445 502 T N -1.116 113.362 114.554 -0.126 0.000 2.720 502 T HA -0.251 4.099 4.350 -0.000 0.000 0.268 502 T C 1.757 176.508 174.700 0.085 0.000 1.037 502 T CA 1.938 64.025 62.100 -0.023 0.000 1.144 502 T CB -0.542 68.313 68.868 -0.022 0.000 0.864 502 T HN 0.429 nan 8.240 nan 0.000 0.444 503 N N 0.378 119.142 118.700 0.108 0.000 2.171 503 N HA 0.070 4.810 4.740 -0.000 0.000 0.184 503 N C 1.501 177.110 175.510 0.165 0.000 1.021 503 N CA 0.883 54.005 53.050 0.121 0.000 0.854 503 N CB -0.540 38.016 38.487 0.116 0.000 0.994 503 N HN 0.460 nan 8.380 nan 0.000 0.426 504 F N 2.083 122.091 119.950 0.097 0.000 2.102 504 F HA -0.059 4.468 4.527 -0.000 0.000 0.298 504 F C 2.303 178.226 175.800 0.206 0.000 1.105 504 F CA 0.910 58.974 58.000 0.108 0.000 1.239 504 F CB -0.313 38.770 39.000 0.140 0.000 0.991 504 F HN -0.043 nan 8.300 nan 0.000 0.474 505 L N -0.110 121.404 121.223 0.486 0.000 1.990 505 L HA -0.270 4.069 4.340 -0.000 0.000 0.213 505 L C 2.642 179.670 176.870 0.263 0.000 1.072 505 L CA 1.794 56.907 54.840 0.454 0.000 0.755 505 L CB -1.020 41.191 42.059 0.254 0.000 0.889 505 L HN 0.305 nan 8.230 nan 0.000 0.432 506 A N -0.225 122.688 122.820 0.155 0.000 1.917 506 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 506 A C 2.271 179.887 177.584 0.052 0.000 1.182 506 A CA 1.867 53.958 52.037 0.090 0.000 0.633 506 A CB -1.326 17.712 19.000 0.064 0.000 0.819 506 A HN 0.554 nan 8.150 nan 0.000 0.448 507 G N -1.908 106.894 108.800 0.004 0.000 2.422 507 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 507 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 507 G C 1.415 176.282 174.900 -0.055 0.000 1.140 507 G CA 1.063 46.118 45.100 -0.074 0.000 0.775 507 G HN 0.485 nan 8.290 nan 0.000 0.545 508 F N 1.203 121.057 119.950 -0.160 0.000 2.206 508 F HA 0.133 4.660 4.527 -0.000 0.000 0.298 508 F C 2.445 178.242 175.800 -0.005 0.000 1.090 508 F CA 1.265 59.216 58.000 -0.083 0.000 1.323 508 F CB 0.209 39.266 39.000 0.095 0.000 1.028 508 F HN 0.180 nan 8.300 nan 0.000 0.492 509 E N 0.468 120.746 120.200 0.130 0.000 2.489 509 E HA 0.156 4.506 4.350 -0.000 0.000 0.193 509 E C 0.893 177.475 176.600 -0.030 0.000 1.057 509 E CA 0.104 56.527 56.400 0.038 0.000 0.866 509 E CB 0.042 29.804 29.700 0.103 0.000 0.916 509 E HN 0.344 nan 8.360 nan 0.000 0.500 510 A N 0.000 122.793 122.820 -0.045 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 52.006 52.037 -0.051 0.000 0.836 510 A CB 0.000 18.970 19.000 -0.050 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486