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 1ohh_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 0.000 176.273 176.300 -0.044 0.000 2.045 24 D CA 0.000 53.986 54.000 -0.023 0.000 0.868 24 D CB 0.000 40.785 40.800 -0.025 0.000 0.688 25 L N 1.834 123.027 121.223 -0.050 0.000 2.821 25 L HA 0.148 4.488 4.340 -0.000 0.000 0.254 25 L C 1.701 178.503 176.870 -0.114 0.000 1.151 25 L CA 0.512 55.283 54.840 -0.114 0.000 0.937 25 L CB -0.192 41.795 42.059 -0.120 0.000 1.141 25 L HN 0.490 nan 8.230 nan 0.000 0.425 26 E N 0.020 120.174 120.200 -0.076 0.000 2.175 26 E HA -0.063 4.287 4.350 -0.000 0.000 0.195 26 E C 1.536 178.096 176.600 -0.067 0.000 0.934 26 E CA 0.179 56.540 56.400 -0.065 0.000 0.870 26 E CB 0.546 30.220 29.700 -0.043 0.000 0.838 26 E HN 0.312 nan 8.360 nan 0.000 0.474 27 E N 0.244 120.406 120.200 -0.063 0.000 2.431 27 E HA 0.072 4.422 4.350 -0.000 0.000 0.200 27 E C 0.459 177.012 176.600 -0.079 0.000 0.995 27 E CA 0.606 56.968 56.400 -0.064 0.000 0.915 27 E CB 1.314 30.985 29.700 -0.049 0.000 0.930 27 E HN 0.286 nan 8.360 nan 0.000 0.496 28 T N -2.246 112.257 114.554 -0.086 0.000 2.887 28 T HA 0.797 5.147 4.350 -0.000 0.000 0.292 28 T C 0.270 174.901 174.700 -0.116 0.000 1.087 28 T CA -0.617 61.425 62.100 -0.097 0.000 1.009 28 T CB 2.509 71.333 68.868 -0.073 0.000 1.203 28 T HN 0.007 nan 8.240 nan 0.000 0.518 29 G N -0.064 108.665 108.800 -0.118 0.000 2.708 29 G HA2 0.690 4.650 3.960 -0.000 0.000 0.289 29 G HA3 0.690 4.650 3.960 -0.000 0.000 0.289 29 G C -1.605 173.262 174.900 -0.055 0.000 1.416 29 G CA -1.134 43.898 45.100 -0.113 0.000 0.829 29 G HN 0.775 nan 8.290 nan 0.000 0.480 30 R N -0.552 119.953 120.500 0.008 0.000 2.740 30 R HA 0.555 4.895 4.340 -0.000 0.000 0.282 30 R C -0.876 175.467 176.300 0.072 0.000 0.969 30 R CA -0.770 55.359 56.100 0.049 0.000 0.918 30 R CB 2.619 32.970 30.300 0.086 0.000 1.175 30 R HN 0.311 nan 8.270 nan 0.000 0.464 31 V N 4.552 124.514 119.914 0.080 0.000 2.508 31 V HA 0.051 4.171 4.120 -0.000 0.000 0.281 31 V C 1.457 177.602 176.094 0.085 0.000 1.041 31 V CA 0.197 62.560 62.300 0.106 0.000 1.016 31 V CB 1.016 32.927 31.823 0.148 0.000 0.984 31 V HN 0.714 nan 8.190 nan 0.000 0.478 32 L N 3.500 124.772 121.223 0.082 0.000 2.168 32 L HA 0.158 4.498 4.340 -0.000 0.000 0.203 32 L C 0.960 177.858 176.870 0.045 0.000 1.078 32 L CA 0.815 55.689 54.840 0.056 0.000 0.780 32 L CB 0.157 42.249 42.059 0.054 0.000 0.939 32 L HN 0.850 nan 8.230 nan 0.000 0.451 33 S N -1.019 114.713 115.700 0.054 0.000 2.596 33 S HA 0.643 5.113 4.470 -0.000 0.000 0.270 33 S C -1.111 173.520 174.600 0.051 0.000 1.155 33 S CA -0.751 57.474 58.200 0.042 0.000 0.827 33 S CB 2.707 65.925 63.200 0.030 0.000 1.130 33 S HN 0.006 nan 8.310 nan 0.000 0.467 34 I N 0.169 120.758 120.570 0.032 0.000 2.599 34 I HA 0.752 4.922 4.170 -0.000 0.000 0.285 34 I C -0.636 175.482 176.117 0.002 0.000 1.168 34 I CA 0.246 61.559 61.300 0.020 0.000 1.060 34 I CB 1.231 39.237 38.000 0.011 0.000 1.249 34 I HN 1.210 nan 8.210 nan 0.000 0.442 35 G N 4.895 113.695 108.800 -0.001 0.000 2.739 35 G HA2 0.487 4.447 3.960 -0.000 0.000 0.292 35 G HA3 0.487 4.447 3.960 -0.000 0.000 0.292 35 G C -1.038 173.855 174.900 -0.012 0.000 1.444 35 G CA -0.504 44.591 45.100 -0.007 0.000 1.144 35 G HN 0.647 nan 8.290 nan 0.000 0.550 36 D N 0.971 121.361 120.400 -0.016 0.000 2.699 36 D HA -0.203 4.436 4.640 -0.000 0.000 0.239 36 D C 1.521 177.812 176.300 -0.016 0.000 1.136 36 D CA 2.156 56.146 54.000 -0.017 0.000 0.668 36 D CB -1.067 39.722 40.800 -0.019 0.000 1.060 36 D HN 2.042 nan 8.370 nan 0.000 0.429 37 G N -0.476 108.313 108.800 -0.019 0.000 2.155 37 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.257 37 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.257 37 G C 0.212 175.118 174.900 0.011 0.000 0.983 37 G CA 0.315 45.410 45.100 -0.008 0.000 0.676 37 G HN 0.486 nan 8.290 nan 0.000 0.528 38 I N 1.081 121.654 120.570 0.005 0.000 2.437 38 I HA 0.623 4.792 4.170 -0.000 0.000 0.279 38 I C 0.512 176.653 176.117 0.040 0.000 1.028 38 I CA -1.140 60.175 61.300 0.026 0.000 1.142 38 I CB 0.834 38.840 38.000 0.009 0.000 1.266 38 I HN 0.322 nan 8.210 nan 0.000 0.461 39 A N 7.556 130.427 122.820 0.085 0.000 2.274 39 A HA 0.660 4.980 4.320 -0.000 0.000 0.309 39 A C 0.120 177.786 177.584 0.137 0.000 1.226 39 A CA -0.669 51.447 52.037 0.133 0.000 0.853 39 A CB 0.679 19.840 19.000 0.269 0.000 1.146 39 A HN 0.495 nan 8.150 nan 0.000 0.518 40 R N 2.063 122.624 120.500 0.101 0.000 2.202 40 R HA 0.405 4.745 4.340 -0.000 0.000 0.334 40 R C -0.895 175.460 176.300 0.091 0.000 1.036 40 R CA -0.212 55.936 56.100 0.081 0.000 0.878 40 R CB 0.893 31.228 30.300 0.059 0.000 1.067 40 R HN 0.460 nan 8.270 nan 0.000 0.457 41 V N 3.555 123.513 119.914 0.074 0.000 2.459 41 V HA 0.195 4.315 4.120 -0.000 0.000 0.295 41 V C 0.064 176.196 176.094 0.062 0.000 1.029 41 V CA -0.956 61.376 62.300 0.054 0.000 0.874 41 V CB 1.472 33.287 31.823 -0.014 0.000 0.985 41 V HN 0.686 nan 8.190 nan 0.000 0.438 42 H N 2.598 121.664 119.070 -0.006 0.000 2.482 42 H HA 0.745 5.301 4.556 -0.000 0.000 0.344 42 H C 0.432 175.748 175.328 -0.021 0.000 1.151 42 H CA 1.004 57.046 56.048 -0.009 0.000 1.300 42 H CB 1.382 31.142 29.762 -0.004 0.000 1.494 42 H HN 1.094 nan 8.280 nan 0.000 0.542 43 G N 2.340 110.552 108.800 -0.981 0.000 2.484 43 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.225 43 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.225 43 G C -0.097 174.629 174.900 -0.290 0.000 1.250 43 G CA -0.355 44.364 45.100 -0.635 0.000 0.926 43 G HN 1.294 nan 8.290 nan 0.000 0.581 44 L N -0.698 120.406 121.223 -0.199 0.000 3.781 44 L HA -0.207 4.133 4.340 -0.000 0.000 0.426 44 L C 2.168 178.974 176.870 -0.108 0.000 1.197 44 L CA 0.780 55.540 54.840 -0.135 0.000 0.907 44 L CB -0.795 41.188 42.059 -0.126 0.000 1.812 44 L HN 0.621 nan 8.230 nan 0.000 0.956 45 R N 0.415 120.849 120.500 -0.110 0.000 2.293 45 R HA -0.079 4.261 4.340 -0.000 0.000 0.219 45 R C 1.276 177.546 176.300 -0.051 0.000 1.091 45 R CA 1.521 57.576 56.100 -0.074 0.000 1.004 45 R CB -0.289 29.972 30.300 -0.065 0.000 0.865 45 R HN 0.585 nan 8.270 nan 0.000 0.469 46 N N -0.886 117.781 118.700 -0.055 0.000 2.205 46 N HA -0.001 4.739 4.740 -0.000 0.000 0.201 46 N C -0.145 175.342 175.510 -0.039 0.000 1.128 46 N CA -0.007 53.019 53.050 -0.041 0.000 0.867 46 N CB 0.655 39.119 38.487 -0.039 0.000 0.996 46 N HN -0.079 nan 8.380 nan 0.000 0.503 47 V N -0.494 119.391 119.914 -0.047 0.000 3.139 47 V HA 0.109 4.229 4.120 -0.000 0.000 0.307 47 V C 0.365 176.443 176.094 -0.025 0.000 1.095 47 V CA -0.484 61.790 62.300 -0.043 0.000 1.160 47 V CB 0.572 32.362 31.823 -0.055 0.000 1.003 47 V HN 0.109 nan 8.190 nan 0.000 0.489 48 Q N 1.381 121.170 119.800 -0.018 0.000 2.215 48 Q HA 0.665 5.005 4.340 -0.000 0.000 0.256 48 Q C -0.007 175.996 176.000 0.006 0.000 0.972 48 Q CA -0.624 55.177 55.803 -0.004 0.000 0.889 48 Q CB 1.789 30.526 28.738 -0.001 0.000 1.281 48 Q HN 1.074 nan 8.270 nan 0.000 0.456 49 A N 1.860 124.691 122.820 0.018 0.000 2.484 49 A HA 0.173 4.493 4.320 -0.000 0.000 0.268 49 A C -0.082 177.528 177.584 0.042 0.000 1.114 49 A CA 0.230 52.287 52.037 0.034 0.000 0.780 49 A CB -0.349 18.677 19.000 0.044 0.000 1.061 49 A HN 0.901 nan 8.150 nan 0.000 0.505 50 E N -0.342 119.889 120.200 0.051 0.000 3.016 50 E HA -0.126 4.224 4.350 -0.000 0.000 0.310 50 E C -0.179 176.443 176.600 0.037 0.000 0.923 50 E CA 1.293 57.730 56.400 0.062 0.000 1.013 50 E CB -1.504 28.229 29.700 0.056 0.000 1.490 50 E HN 0.912 nan 8.360 nan 0.000 0.403 51 E N 0.079 120.288 120.200 0.016 0.000 2.212 51 E HA 0.408 4.758 4.350 -0.000 0.000 0.270 51 E C 0.004 176.580 176.600 -0.039 0.000 0.956 51 E CA -0.800 55.593 56.400 -0.011 0.000 0.825 51 E CB 0.714 30.401 29.700 -0.022 0.000 1.167 51 E HN -0.025 nan 8.360 nan 0.000 0.400 52 M N 2.206 121.771 119.600 -0.059 0.000 2.227 52 M HA 0.302 4.782 4.480 -0.000 0.000 0.316 52 M C -0.119 176.104 176.300 -0.129 0.000 1.144 52 M CA -0.463 54.768 55.300 -0.116 0.000 1.121 52 M CB 0.993 33.535 32.600 -0.097 0.000 1.440 52 M HN 0.499 nan 8.290 nan 0.000 0.473 53 V N -1.130 118.680 119.914 -0.173 0.000 3.204 53 V HA 0.631 4.751 4.120 -0.000 0.000 0.298 53 V C -1.240 174.720 176.094 -0.225 0.000 1.328 53 V CA -1.045 61.127 62.300 -0.212 0.000 1.035 53 V CB 2.082 33.730 31.823 -0.293 0.000 1.095 53 V HN 0.931 nan 8.190 nan 0.000 0.442 54 E N 1.246 121.303 120.200 -0.239 0.000 2.212 54 E HA 0.683 5.033 4.350 -0.000 0.000 0.268 54 E C -1.826 174.619 176.600 -0.258 0.000 0.902 54 E CA -0.720 55.600 56.400 -0.132 0.000 0.779 54 E CB 1.939 31.610 29.700 -0.048 0.000 1.172 54 E HN 0.593 nan 8.360 nan 0.000 0.409 55 F N 1.504 121.435 119.950 -0.032 0.000 2.440 55 F HA 0.222 4.749 4.527 -0.000 0.000 0.328 55 F C 1.732 177.527 175.800 -0.009 0.000 1.070 55 F CA -0.486 57.503 58.000 -0.018 0.000 1.011 55 F CB 1.655 40.648 39.000 -0.011 0.000 1.226 55 F HN 0.547 nan 8.300 nan 0.000 0.491 56 S N 0.396 116.195 115.700 0.165 0.000 2.406 56 S HA -0.305 4.165 4.470 -0.000 0.000 0.242 56 S C 1.942 176.597 174.600 0.091 0.000 1.079 56 S CA 2.222 60.479 58.200 0.095 0.000 1.133 56 S CB -0.875 62.376 63.200 0.085 0.000 1.005 56 S HN 0.747 nan 8.310 nan 0.000 0.443 57 S N 0.693 116.460 115.700 0.111 0.000 2.595 57 S HA 0.298 4.768 4.470 -0.000 0.000 0.235 57 S C 1.513 176.159 174.600 0.078 0.000 0.974 57 S CA 0.729 58.976 58.200 0.077 0.000 0.942 57 S CB -0.526 62.708 63.200 0.056 0.000 0.766 57 S HN 1.125 nan 8.310 nan 0.000 0.536 58 G N -0.061 108.800 108.800 0.102 0.000 2.159 58 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.256 58 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.256 58 G C -0.138 174.825 174.900 0.104 0.000 0.977 58 G CA 0.151 45.303 45.100 0.085 0.000 0.652 58 G HN 0.429 nan 8.290 nan 0.000 0.531 59 L N 0.329 121.640 121.223 0.147 0.000 2.456 59 L HA 0.594 4.933 4.340 -0.000 0.000 0.257 59 L C 1.022 178.017 176.870 0.208 0.000 1.162 59 L CA 0.021 54.944 54.840 0.139 0.000 0.808 59 L CB 0.591 42.681 42.059 0.050 0.000 1.136 59 L HN 0.205 nan 8.230 nan 0.000 0.466 60 K N -0.086 120.389 120.400 0.125 0.000 2.106 60 K HA 0.799 5.119 4.320 -0.000 0.000 0.246 60 K C -0.333 176.186 176.600 -0.136 0.000 0.987 60 K CA -0.726 55.550 56.287 -0.018 0.000 0.904 60 K CB 1.408 33.846 32.500 -0.103 0.000 1.071 60 K HN 0.748 nan 8.250 nan 0.000 0.453 61 G N 0.972 109.571 108.800 -0.334 0.000 2.760 61 G HA2 0.398 4.358 3.960 -0.000 0.000 0.296 61 G HA3 0.398 4.358 3.960 -0.000 0.000 0.296 61 G C -1.347 173.310 174.900 -0.405 0.000 1.427 61 G CA -0.692 44.235 45.100 -0.288 0.000 1.109 61 G HN 0.400 nan 8.290 nan 0.000 0.553 62 M N 0.849 120.234 119.600 -0.358 0.000 2.283 62 M HA 0.507 4.987 4.480 -0.000 0.000 0.314 62 M C 0.186 176.519 176.300 0.055 0.000 1.153 62 M CA -0.349 54.925 55.300 -0.043 0.000 1.084 62 M CB 1.431 34.210 32.600 0.298 0.000 1.468 62 M HN 0.364 nan 8.290 nan 0.000 0.474 63 S N 2.980 118.713 115.700 0.056 0.000 2.252 63 S HA 0.316 4.786 4.470 -0.000 0.000 0.180 63 S C 0.859 175.502 174.600 0.071 0.000 1.534 63 S CA -0.520 57.709 58.200 0.048 0.000 1.141 63 S CB 0.018 63.223 63.200 0.008 0.000 1.122 63 S HN 0.626 nan 8.310 nan 0.000 0.475 64 L N 0.849 122.126 121.223 0.090 0.000 2.072 64 L HA 0.065 4.405 4.340 -0.000 0.000 0.205 64 L C 0.342 177.250 176.870 0.064 0.000 1.079 64 L CA 0.827 55.720 54.840 0.089 0.000 0.752 64 L CB -0.237 41.864 42.059 0.071 0.000 0.906 64 L HN 0.351 nan 8.230 nan 0.000 0.436 65 N N 0.330 119.057 118.700 0.044 0.000 2.424 65 N HA 0.445 5.185 4.740 -0.000 0.000 0.271 65 N C -1.114 174.414 175.510 0.029 0.000 0.985 65 N CA -0.097 52.974 53.050 0.034 0.000 0.921 65 N CB 1.358 39.858 38.487 0.022 0.000 1.149 65 N HN 0.012 nan 8.380 nan 0.000 0.492 66 L N 2.073 123.312 121.223 0.028 0.000 2.276 66 L HA 0.455 4.795 4.340 -0.000 0.000 0.286 66 L C 0.189 177.071 176.870 0.019 0.000 1.024 66 L CA -0.417 54.434 54.840 0.019 0.000 0.826 66 L CB 0.955 43.025 42.059 0.017 0.000 1.211 66 L HN 0.382 nan 8.230 nan 0.000 0.422 67 E N 3.429 123.641 120.200 0.019 0.000 2.263 67 E HA 0.342 4.692 4.350 -0.000 0.000 0.264 67 E C -1.831 174.782 176.600 0.022 0.000 0.923 67 E CA -1.785 54.627 56.400 0.021 0.000 0.802 67 E CB 2.161 31.875 29.700 0.024 0.000 1.228 67 E HN 0.255 nan 8.360 nan 0.000 0.417 68 P HA -0.232 nan 4.420 nan 0.000 0.211 68 P C 0.685 178.009 177.300 0.039 0.000 1.181 68 P CA 1.507 64.622 63.100 0.025 0.000 0.929 68 P CB 0.102 31.815 31.700 0.022 0.000 0.789 69 D N -1.383 119.044 120.400 0.045 0.000 2.347 69 D HA -0.025 4.615 4.640 -0.000 0.000 0.213 69 D C 0.425 176.784 176.300 0.099 0.000 0.985 69 D CA 0.462 54.504 54.000 0.069 0.000 0.879 69 D CB -0.594 40.232 40.800 0.044 0.000 0.919 69 D HN 0.431 nan 8.370 nan 0.000 0.526 70 N N -1.464 117.276 118.700 0.067 0.000 3.116 70 N HA 0.350 5.090 4.740 -0.000 0.000 0.244 70 N C -2.022 173.509 175.510 0.035 0.000 1.485 70 N CA -1.009 52.081 53.050 0.067 0.000 0.884 70 N CB 1.698 40.224 38.487 0.064 0.000 1.415 70 N HN -0.214 nan 8.380 nan 0.000 0.524 71 V N -0.002 119.929 119.914 0.029 0.000 2.407 71 V HA 0.711 4.831 4.120 -0.000 0.000 0.291 71 V C 0.438 176.552 176.094 0.032 0.000 1.018 71 V CA -0.687 61.623 62.300 0.016 0.000 0.842 71 V CB 1.155 32.971 31.823 -0.012 0.000 0.996 71 V HN 0.905 nan 8.190 nan 0.000 0.426 72 G N 4.033 112.854 108.800 0.035 0.000 2.394 72 G HA2 0.460 4.420 3.960 -0.000 0.000 0.298 72 G HA3 0.460 4.420 3.960 -0.000 0.000 0.298 72 G C -0.446 174.489 174.900 0.059 0.000 1.087 72 G CA -0.112 45.014 45.100 0.044 0.000 1.035 72 G HN 0.520 nan 8.290 nan 0.000 0.420 73 V N 3.751 123.720 119.914 0.092 0.000 2.394 73 V HA 0.186 4.306 4.120 -0.000 0.000 0.282 73 V C 0.380 176.574 176.094 0.167 0.000 1.031 73 V CA -0.707 61.672 62.300 0.132 0.000 0.881 73 V CB 1.728 33.660 31.823 0.181 0.000 0.982 73 V HN 0.427 nan 8.190 nan 0.000 0.451 74 V N 6.453 126.469 119.914 0.171 0.000 2.488 74 V HA 0.213 4.333 4.120 -0.000 0.000 0.277 74 V C 0.169 176.436 176.094 0.289 0.000 1.046 74 V CA -0.089 62.338 62.300 0.211 0.000 0.986 74 V CB 1.751 33.731 31.823 0.261 0.000 0.989 74 V HN 0.641 nan 8.190 nan 0.000 0.475 75 V N 6.684 126.728 119.914 0.216 0.000 2.498 75 V HA 0.318 4.438 4.120 -0.000 0.000 0.279 75 V C -0.167 176.184 176.094 0.429 0.000 1.048 75 V CA -0.420 61.979 62.300 0.165 0.000 0.967 75 V CB 1.088 32.852 31.823 -0.098 0.000 0.988 75 V HN 0.613 nan 8.190 nan 0.000 0.473 76 F N 4.096 124.055 119.950 0.015 0.000 2.351 76 F HA 0.722 5.249 4.527 -0.000 0.000 0.362 76 F C 0.885 176.685 175.800 0.000 0.000 1.131 76 F CA -0.384 57.639 58.000 0.038 0.000 1.187 76 F CB 0.302 39.346 39.000 0.073 0.000 1.434 76 F HN 0.777 nan 8.300 nan 0.000 0.553 77 G N 2.068 110.948 108.800 0.134 0.000 2.440 77 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.684 77 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.684 77 G C -0.830 174.076 174.900 0.010 0.000 1.309 77 G CA -1.361 43.775 45.100 0.060 0.000 0.931 77 G HN 0.432 nan 8.290 nan 0.000 0.612 78 N N 0.319 119.018 118.700 -0.002 0.000 2.292 78 N HA 0.026 4.766 4.740 -0.000 0.000 0.242 78 N C 1.262 176.741 175.510 -0.053 0.000 1.243 78 N CA 0.948 53.986 53.050 -0.019 0.000 0.851 78 N CB 0.739 39.219 38.487 -0.012 0.000 1.093 78 N HN 0.671 nan 8.380 nan 0.000 0.450 79 D N 1.590 121.953 120.400 -0.061 0.000 2.350 79 D HA -0.067 4.573 4.640 -0.000 0.000 0.213 79 D C 1.294 177.552 176.300 -0.071 0.000 1.031 79 D CA 0.375 54.317 54.000 -0.097 0.000 0.861 79 D CB -0.147 40.602 40.800 -0.086 0.000 0.926 79 D HN 0.572 nan 8.370 nan 0.000 0.520 80 K N 0.847 121.221 120.400 -0.043 0.000 2.286 80 K HA -0.112 4.207 4.320 -0.000 0.000 0.203 80 K C 1.581 178.165 176.600 -0.026 0.000 1.045 80 K CA 0.718 56.989 56.287 -0.027 0.000 0.935 80 K CB -0.098 32.393 32.500 -0.015 0.000 0.737 80 K HN 0.241 nan 8.250 nan 0.000 0.460 81 L N 0.757 121.956 121.223 -0.039 0.000 2.341 81 L HA 0.122 4.462 4.340 -0.000 0.000 0.214 81 L C 0.896 177.751 176.870 -0.026 0.000 1.115 81 L CA 0.082 54.906 54.840 -0.027 0.000 0.820 81 L CB 0.101 42.145 42.059 -0.025 0.000 0.944 81 L HN 0.087 nan 8.230 nan 0.000 0.452 82 I N 0.415 120.945 120.570 -0.065 0.000 2.365 82 I HA 0.164 4.334 4.170 -0.000 0.000 0.291 82 I C 0.046 176.164 176.117 0.000 0.000 1.004 82 I CA -0.061 61.215 61.300 -0.041 0.000 1.311 82 I CB 0.961 38.863 38.000 -0.164 0.000 1.401 82 I HN 0.026 nan 8.210 nan 0.000 0.491 83 K N 4.416 124.840 120.400 0.039 0.000 2.378 83 K HA 0.400 4.720 4.320 -0.000 0.000 0.244 83 K C -0.624 176.008 176.600 0.054 0.000 1.039 83 K CA -0.962 55.346 56.287 0.035 0.000 0.863 83 K CB 1.971 34.489 32.500 0.030 0.000 1.326 83 K HN 0.514 nan 8.250 nan 0.000 0.460 84 E N -0.195 120.030 120.200 0.042 0.000 2.398 84 E HA 0.060 4.410 4.350 -0.000 0.000 0.263 84 E C 0.598 177.227 176.600 0.049 0.000 1.046 84 E CA 1.323 57.751 56.400 0.046 0.000 0.908 84 E CB 0.409 30.128 29.700 0.032 0.000 0.963 84 E HN 0.738 nan 8.360 nan 0.000 0.431 85 G N 3.895 112.727 108.800 0.055 0.000 2.454 85 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.225 85 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.225 85 G C 0.015 174.949 174.900 0.057 0.000 1.138 85 G CA 0.181 45.310 45.100 0.049 0.000 0.667 85 G HN 0.701 nan 8.290 nan 0.000 0.512 86 D N 1.465 121.909 120.400 0.073 0.000 2.795 86 D HA 0.224 4.864 4.640 -0.000 0.000 0.221 86 D C 0.867 177.205 176.300 0.063 0.000 1.108 86 D CA 0.558 54.610 54.000 0.087 0.000 0.832 86 D CB 0.248 41.137 40.800 0.149 0.000 1.183 86 D HN 0.389 nan 8.370 nan 0.000 0.503 87 I N 2.151 122.740 120.570 0.031 0.000 2.575 87 I HA 0.137 4.307 4.170 -0.000 0.000 0.285 87 I C 0.166 176.228 176.117 -0.092 0.000 1.085 87 I CA -0.122 61.166 61.300 -0.020 0.000 1.403 87 I CB 1.068 39.057 38.000 -0.017 0.000 1.409 87 I HN 0.050 nan 8.210 nan 0.000 0.557 88 V N 6.372 126.187 119.914 -0.163 0.000 2.398 88 V HA 0.347 4.467 4.120 -0.000 0.000 0.282 88 V C -0.122 175.839 176.094 -0.221 0.000 1.014 88 V CA -1.002 61.109 62.300 -0.314 0.000 0.838 88 V CB 0.648 32.197 31.823 -0.457 0.000 1.018 88 V HN 0.619 nan 8.190 nan 0.000 0.432 89 K N 3.518 123.809 120.400 -0.182 0.000 2.110 89 K HA 0.648 4.968 4.320 -0.000 0.000 0.263 89 K C 0.060 176.578 176.600 -0.137 0.000 0.975 89 K CA -0.827 55.382 56.287 -0.128 0.000 0.895 89 K CB 1.887 34.334 32.500 -0.088 0.000 1.060 89 K HN 0.497 nan 8.250 nan 0.000 0.448 90 R N 0.197 120.632 120.500 -0.108 0.000 2.679 90 R HA 0.015 4.355 4.340 -0.000 0.000 0.269 90 R C 1.242 177.495 176.300 -0.079 0.000 1.076 90 R CA 0.279 56.321 56.100 -0.097 0.000 1.160 90 R CB 0.394 30.650 30.300 -0.075 0.000 1.054 90 R HN 0.834 nan 8.270 nan 0.000 0.507 91 T N -2.705 111.806 114.554 -0.071 0.000 2.990 91 T HA 0.177 4.527 4.350 -0.000 0.000 0.249 91 T C 1.505 176.182 174.700 -0.038 0.000 1.039 91 T CA 0.382 62.450 62.100 -0.052 0.000 1.036 91 T CB 0.451 69.287 68.868 -0.052 0.000 0.994 91 T HN 0.797 nan 8.240 nan 0.000 0.489 92 G N 2.443 111.219 108.800 -0.039 0.000 3.163 92 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.227 92 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.227 92 G C 0.695 175.583 174.900 -0.020 0.000 1.300 92 G CA 0.088 45.171 45.100 -0.028 0.000 0.867 92 G HN 1.544 nan 8.290 nan 0.000 0.533 93 A N 1.523 124.332 122.820 -0.019 0.000 2.535 93 A HA 0.529 4.849 4.320 -0.000 0.000 0.290 93 A C 0.908 178.486 177.584 -0.010 0.000 1.270 93 A CA 0.691 52.722 52.037 -0.011 0.000 0.937 93 A CB -0.429 18.566 19.000 -0.008 0.000 1.096 93 A HN 1.356 nan 8.150 nan 0.000 0.534 94 I N 2.796 123.363 120.570 -0.005 0.000 3.332 94 I HA -0.024 4.146 4.170 -0.000 0.000 0.280 94 I C 0.436 176.559 176.117 0.010 0.000 1.285 94 I CA -0.006 61.294 61.300 -0.000 0.000 1.347 94 I CB 0.687 38.689 38.000 0.004 0.000 1.353 94 I HN 0.402 nan 8.210 nan 0.000 0.611 95 V N 5.646 125.573 119.914 0.022 0.000 2.452 95 V HA 0.001 4.121 4.120 -0.000 0.000 0.286 95 V C -0.060 176.058 176.094 0.040 0.000 0.995 95 V CA 0.122 62.451 62.300 0.048 0.000 1.116 95 V CB -0.697 31.174 31.823 0.080 0.000 0.954 95 V HN 0.703 nan 8.190 nan 0.000 0.473 96 D N 4.557 124.982 120.400 0.042 0.000 2.490 96 D HA 0.676 5.316 4.640 -0.000 0.000 0.232 96 D C -0.602 175.721 176.300 0.039 0.000 1.053 96 D CA -0.589 53.431 54.000 0.034 0.000 0.914 96 D CB 2.559 43.373 40.800 0.022 0.000 1.431 96 D HN 0.422 nan 8.370 nan 0.000 0.483 97 V N -3.541 116.393 119.914 0.033 0.000 2.789 97 V HA 0.639 4.759 4.120 -0.000 0.000 0.311 97 V C -2.897 173.200 176.094 0.005 0.000 1.073 97 V CA -2.202 60.115 62.300 0.029 0.000 0.921 97 V CB 1.936 33.783 31.823 0.040 0.000 1.009 97 V HN 0.508 nan 8.190 nan 0.000 0.426 98 P HA 0.287 nan 4.420 nan 0.000 0.269 98 P C -0.704 176.552 177.300 -0.074 0.000 1.209 98 P CA 0.263 63.336 63.100 -0.045 0.000 0.776 98 P CB 1.920 33.598 31.700 -0.037 0.000 0.876 99 V N 1.385 121.200 119.914 -0.166 0.000 3.147 99 V HA 0.836 4.956 4.120 -0.000 0.000 0.306 99 V C -0.112 175.589 176.094 -0.655 0.000 1.209 99 V CA 0.440 62.568 62.300 -0.287 0.000 1.023 99 V CB 1.843 33.540 31.823 -0.210 0.000 1.059 99 V HN 1.099 nan 8.190 nan 0.000 0.435 100 G N 3.329 111.545 108.800 -0.974 0.000 2.371 100 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.663 100 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.663 100 G C -0.054 174.583 174.900 -0.438 0.000 1.311 100 G CA 0.084 44.393 45.100 -1.318 0.000 0.985 100 G HN 0.786 nan 8.290 nan 0.000 0.566 101 E N 0.384 120.440 120.200 -0.241 0.000 2.265 101 E HA -0.101 4.249 4.350 -0.000 0.000 0.196 101 E C 2.149 178.746 176.600 -0.004 0.000 0.996 101 E CA 1.238 57.633 56.400 -0.007 0.000 0.832 101 E CB -0.010 29.686 29.700 -0.007 0.000 0.756 101 E HN 0.639 nan 8.360 nan 0.000 0.491 102 E N 0.965 121.131 120.200 -0.058 0.000 2.455 102 E HA -0.183 4.167 4.350 -0.000 0.000 0.202 102 E C 1.727 178.319 176.600 -0.014 0.000 1.045 102 E CA 0.751 57.131 56.400 -0.033 0.000 0.872 102 E CB -0.192 29.477 29.700 -0.051 0.000 0.792 102 E HN 0.402 nan 8.360 nan 0.000 0.542 103 L N 0.472 121.692 121.223 -0.005 0.000 2.477 103 L HA 0.152 4.492 4.340 -0.000 0.000 0.220 103 L C 1.169 178.061 176.870 0.036 0.000 1.106 103 L CA -0.109 54.740 54.840 0.014 0.000 0.851 103 L CB -0.062 42.011 42.059 0.023 0.000 0.994 103 L HN 0.028 nan 8.230 nan 0.000 0.462 104 L N 1.045 122.303 121.223 0.058 0.000 2.562 104 L HA 0.076 4.416 4.340 -0.000 0.000 0.271 104 L C 1.302 178.197 176.870 0.042 0.000 1.167 104 L CA 0.769 55.652 54.840 0.072 0.000 0.917 104 L CB 0.000 42.128 42.059 0.115 0.000 1.187 104 L HN 0.389 nan 8.230 nan 0.000 0.482 105 G N 2.342 111.151 108.800 0.014 0.000 2.213 105 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.236 105 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.236 105 G C 0.278 175.168 174.900 -0.016 0.000 0.991 105 G CA -0.552 44.539 45.100 -0.015 0.000 0.629 105 G HN 0.459 nan 8.290 nan 0.000 0.517 106 R N 0.162 120.660 120.500 -0.003 0.000 2.474 106 R HA 0.682 5.022 4.340 -0.000 0.000 0.295 106 R C -0.210 176.090 176.300 0.000 0.000 0.980 106 R CA -0.694 55.404 56.100 -0.003 0.000 0.934 106 R CB 1.729 32.030 30.300 0.002 0.000 1.101 106 R HN 0.166 nan 8.270 nan 0.000 0.469 107 V N 3.513 123.426 119.914 -0.002 0.000 2.427 107 V HA 0.449 4.569 4.120 -0.000 0.000 0.286 107 V C 0.220 176.321 176.094 0.012 0.000 1.034 107 V CA -0.561 61.742 62.300 0.005 0.000 0.893 107 V CB 1.631 33.452 31.823 -0.003 0.000 0.982 107 V HN 0.609 nan 8.190 nan 0.000 0.452 108 V N 1.384 121.310 119.914 0.021 0.000 3.160 108 V HA 0.801 4.921 4.120 -0.000 0.000 0.310 108 V C -0.838 175.273 176.094 0.028 0.000 1.181 108 V CA -1.043 61.270 62.300 0.022 0.000 1.047 108 V CB 2.207 34.043 31.823 0.022 0.000 1.068 108 V HN 0.778 nan 8.190 nan 0.000 0.441 109 D N 0.853 121.269 120.400 0.027 0.000 2.432 109 D HA 0.556 5.196 4.640 -0.000 0.000 0.258 109 D C 1.262 177.578 176.300 0.026 0.000 1.146 109 D CA -0.101 53.915 54.000 0.027 0.000 1.015 109 D CB 1.401 42.218 40.800 0.028 0.000 1.107 109 D HN 0.931 nan 8.370 nan 0.000 0.529 110 A N 0.079 122.908 122.820 0.015 0.000 2.104 110 A HA -0.157 4.163 4.320 -0.000 0.000 0.223 110 A C 1.748 179.346 177.584 0.024 0.000 1.164 110 A CA 1.239 53.279 52.037 0.004 0.000 0.659 110 A CB -0.804 18.172 19.000 -0.040 0.000 0.808 110 A HN 0.563 nan 8.150 nan 0.000 0.465 111 L N -1.450 119.799 121.223 0.043 0.000 3.094 111 L HA 0.336 4.676 4.340 -0.000 0.000 0.254 111 L C 1.507 178.409 176.870 0.052 0.000 1.298 111 L CA 0.224 55.104 54.840 0.067 0.000 1.050 111 L CB -0.137 41.988 42.059 0.111 0.000 1.420 111 L HN 0.527 nan 8.230 nan 0.000 0.548 112 G N -0.301 108.522 108.800 0.039 0.000 2.228 112 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.270 112 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.270 112 G C 0.459 175.373 174.900 0.024 0.000 0.976 112 G CA 0.096 45.212 45.100 0.028 0.000 0.636 112 G HN 0.481 nan 8.290 nan 0.000 0.542 113 N N 1.436 120.155 118.700 0.031 0.000 2.492 113 N HA 0.450 5.190 4.740 -0.000 0.000 0.262 113 N C 0.668 176.190 175.510 0.021 0.000 1.202 113 N CA 0.790 53.856 53.050 0.027 0.000 0.926 113 N CB 1.065 39.573 38.487 0.035 0.000 1.078 113 N HN 0.693 nan 8.380 nan 0.000 0.454 114 A N 2.267 125.096 122.820 0.015 0.000 2.425 114 A HA 0.322 4.642 4.320 -0.000 0.000 0.249 114 A C 1.243 178.835 177.584 0.013 0.000 1.084 114 A CA -0.275 51.769 52.037 0.011 0.000 0.781 114 A CB -0.174 18.830 19.000 0.006 0.000 1.019 114 A HN 0.814 nan 8.150 nan 0.000 0.490 115 I N -1.501 119.076 120.570 0.011 0.000 4.160 115 I HA 0.282 4.452 4.170 -0.000 0.000 0.325 115 I C -0.082 176.038 176.117 0.005 0.000 1.455 115 I CA -0.063 61.244 61.300 0.011 0.000 1.142 115 I CB 0.482 38.490 38.000 0.014 0.000 1.262 115 I HN 0.452 nan 8.210 nan 0.000 0.483 116 D N 0.662 121.062 120.400 0.002 0.000 2.369 116 D HA 0.206 4.846 4.640 -0.000 0.000 0.211 116 D C 1.735 178.033 176.300 -0.004 0.000 1.077 116 D CA 0.537 54.535 54.000 -0.004 0.000 0.842 116 D CB 0.286 41.081 40.800 -0.008 0.000 0.947 116 D HN 0.372 nan 8.370 nan 0.000 0.509 117 G N 1.070 109.870 108.800 -0.001 0.000 2.186 117 G HA2 -0.455 3.505 3.960 -0.000 0.000 0.266 117 G HA3 -0.455 3.505 3.960 -0.000 0.000 0.266 117 G C 1.052 175.950 174.900 -0.003 0.000 0.982 117 G CA 0.737 45.837 45.100 -0.001 0.000 0.670 117 G HN 0.448 nan 8.290 nan 0.000 0.533 118 K N 0.252 120.650 120.400 -0.004 0.000 2.574 118 K HA 0.338 4.658 4.320 -0.000 0.000 0.193 118 K C 1.642 178.240 176.600 -0.003 0.000 1.035 118 K CA 0.713 56.997 56.287 -0.005 0.000 0.982 118 K CB -0.141 32.355 32.500 -0.007 0.000 0.795 118 K HN 1.369 nan 8.250 nan 0.000 0.491 119 G N 1.360 110.159 108.800 -0.002 0.000 2.362 119 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.517 119 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.517 119 G C -2.918 171.982 174.900 -0.000 0.000 1.256 119 G CA -0.973 44.126 45.100 -0.001 0.000 1.027 119 G HN -0.012 nan 8.290 nan 0.000 0.491 120 P HA 0.631 nan 4.420 nan 0.000 0.278 120 P C -0.031 177.266 177.300 -0.005 0.000 1.266 120 P CA -0.532 62.567 63.100 -0.002 0.000 0.807 120 P CB 1.061 32.760 31.700 -0.001 0.000 1.094 121 I N -2.909 117.657 120.570 -0.007 0.000 2.676 121 I HA 0.489 4.659 4.170 -0.000 0.000 0.309 121 I C 0.517 176.623 176.117 -0.019 0.000 0.990 121 I CA -0.986 60.306 61.300 -0.013 0.000 1.168 121 I CB 0.558 38.549 38.000 -0.016 0.000 1.343 121 I HN 0.433 nan 8.210 nan 0.000 0.482 122 G N 2.840 111.625 108.800 -0.026 0.000 3.458 122 G HA2 0.180 4.140 3.960 -0.000 0.000 0.256 122 G HA3 0.180 4.140 3.960 -0.000 0.000 0.256 122 G C 0.157 175.029 174.900 -0.047 0.000 0.938 122 G CA -0.382 44.700 45.100 -0.031 0.000 1.890 122 G HN 0.658 nan 8.290 nan 0.000 0.639 123 S N 0.737 116.411 115.700 -0.043 0.000 3.007 123 S HA -0.006 4.464 4.470 -0.000 0.000 0.312 123 S C 1.435 176.001 174.600 -0.057 0.000 1.068 123 S CA 0.196 58.363 58.200 -0.055 0.000 1.597 123 S CB 0.388 63.566 63.200 -0.036 0.000 1.495 123 S HN 0.585 nan 8.310 nan 0.000 0.612 124 K N 1.179 121.532 120.400 -0.077 0.000 2.426 124 K HA 0.274 4.594 4.320 -0.000 0.000 0.193 124 K C 0.486 177.048 176.600 -0.063 0.000 1.028 124 K CA 0.254 56.504 56.287 -0.062 0.000 1.047 124 K CB 0.312 32.775 32.500 -0.061 0.000 0.821 124 K HN 0.615 nan 8.250 nan 0.000 0.513 125 A N 1.034 123.799 122.820 -0.091 0.000 2.582 125 A HA 0.518 4.838 4.320 -0.000 0.000 0.297 125 A C -1.208 176.325 177.584 -0.085 0.000 1.059 125 A CA -0.927 51.067 52.037 -0.072 0.000 0.705 125 A CB 1.174 20.135 19.000 -0.064 0.000 1.279 125 A HN 0.058 nan 8.150 nan 0.000 0.404 126 R N 0.225 120.701 120.500 -0.040 0.000 2.919 126 R HA 0.857 5.197 4.340 -0.000 0.000 0.260 126 R C -0.475 175.826 176.300 0.001 0.000 1.067 126 R CA -0.955 55.129 56.100 -0.027 0.000 1.003 126 R CB 2.382 32.675 30.300 -0.012 0.000 1.192 126 R HN 0.767 nan 8.270 nan 0.000 0.488 127 R N 0.810 121.319 120.500 0.014 0.000 2.566 127 R HA 0.259 4.599 4.340 -0.000 0.000 0.271 127 R C -1.033 175.290 176.300 0.039 0.000 1.071 127 R CA -0.730 55.392 56.100 0.037 0.000 0.915 127 R CB 1.706 32.043 30.300 0.061 0.000 1.228 127 R HN 0.575 nan 8.270 nan 0.000 0.449 128 R N 2.383 122.905 120.500 0.037 0.000 2.522 128 R HA 0.006 4.345 4.340 -0.000 0.000 0.284 128 R C 1.510 177.831 176.300 0.035 0.000 1.032 128 R CA 0.243 56.361 56.100 0.030 0.000 1.049 128 R CB 0.703 31.016 30.300 0.023 0.000 0.956 128 R HN 0.560 nan 8.270 nan 0.000 0.422 129 V N 1.141 121.071 119.914 0.027 0.000 2.548 129 V HA 0.041 4.161 4.120 -0.000 0.000 0.249 129 V C 1.066 177.149 176.094 -0.018 0.000 1.055 129 V CA 1.427 63.746 62.300 0.033 0.000 1.065 129 V CB -0.271 31.567 31.823 0.024 0.000 0.681 129 V HN 0.760 nan 8.190 nan 0.000 0.462 130 G N 1.276 110.036 108.800 -0.067 0.000 2.857 130 G HA2 0.615 4.575 3.960 -0.000 0.000 0.326 130 G HA3 0.615 4.575 3.960 -0.000 0.000 0.326 130 G C -0.764 174.110 174.900 -0.043 0.000 0.950 130 G CA -0.314 44.711 45.100 -0.126 0.000 1.400 130 G HN 0.352 nan 8.290 nan 0.000 0.473 131 L N 0.754 121.973 121.223 -0.006 0.000 2.341 131 L HA 0.508 4.848 4.340 -0.000 0.000 0.267 131 L C 0.247 177.136 176.870 0.032 0.000 1.009 131 L CA -1.225 53.629 54.840 0.023 0.000 0.819 131 L CB 2.724 44.809 42.059 0.044 0.000 1.323 131 L HN 0.311 nan 8.230 nan 0.000 0.425 132 K N 1.764 122.186 120.400 0.036 0.000 2.412 132 K HA 0.435 4.755 4.320 -0.000 0.000 0.281 132 K C -0.163 176.462 176.600 0.041 0.000 1.027 132 K CA -0.168 56.144 56.287 0.042 0.000 0.989 132 K CB 1.120 33.645 32.500 0.043 0.000 0.935 132 K HN 0.624 nan 8.250 nan 0.000 0.475 133 A N 5.432 128.276 122.820 0.039 0.000 2.366 133 A HA 0.348 4.668 4.320 -0.000 0.000 0.249 133 A C -2.078 175.510 177.584 0.007 0.000 1.084 133 A CA -1.236 50.817 52.037 0.028 0.000 0.794 133 A CB -0.371 18.644 19.000 0.025 0.000 1.034 133 A HN 0.761 nan 8.150 nan 0.000 0.491 134 P HA 0.173 nan 4.420 nan 0.000 0.269 134 P C 0.574 177.833 177.300 -0.069 0.000 1.209 134 P CA 0.344 63.402 63.100 -0.069 0.000 0.776 134 P CB 0.418 32.043 31.700 -0.126 0.000 0.876 135 G N 1.088 109.838 108.800 -0.084 0.000 2.479 135 G HA2 0.047 4.007 3.960 -0.000 0.000 0.275 135 G HA3 0.047 4.007 3.960 -0.000 0.000 0.275 135 G C 0.816 175.673 174.900 -0.070 0.000 1.421 135 G CA -0.551 44.516 45.100 -0.056 0.000 1.059 135 G HN 0.605 nan 8.290 nan 0.000 0.535 136 I N -0.879 119.664 120.570 -0.045 0.000 3.226 136 I HA 0.115 4.285 4.170 -0.000 0.000 0.277 136 I C 1.404 177.491 176.117 -0.050 0.000 1.243 136 I CA 0.158 61.434 61.300 -0.040 0.000 1.459 136 I CB 0.103 38.094 38.000 -0.015 0.000 1.093 136 I HN 0.169 nan 8.210 nan 0.000 0.453 137 I N 1.559 122.094 120.570 -0.059 0.000 3.462 137 I HA 0.110 4.280 4.170 -0.000 0.000 0.290 137 I C -0.730 175.319 176.117 -0.112 0.000 1.236 137 I CA 0.347 61.620 61.300 -0.045 0.000 1.418 137 I CB -2.265 35.739 38.000 0.006 0.000 1.102 137 I HN 0.134 nan 8.210 nan 0.000 0.441 138 P HA 0.017 nan 4.420 nan 0.000 0.242 138 P C 0.305 177.343 177.300 -0.436 0.000 1.197 138 P CA 0.744 63.397 63.100 -0.745 0.000 0.765 138 P CB 0.138 31.102 31.700 -1.226 0.000 0.936 139 R N -0.375 119.999 120.500 -0.210 0.000 2.797 139 R HA 0.778 5.118 4.340 -0.000 0.000 0.251 139 R C -0.508 175.760 176.300 -0.053 0.000 1.107 139 R CA -1.004 55.026 56.100 -0.117 0.000 1.084 139 R CB 1.230 31.475 30.300 -0.091 0.000 1.205 139 R HN -0.101 nan 8.270 nan 0.000 0.515 140 I N -0.727 119.823 120.570 -0.034 0.000 2.841 140 I HA 0.147 4.317 4.170 -0.000 0.000 0.298 140 I C -0.442 175.662 176.117 -0.021 0.000 1.304 140 I CA -0.229 61.062 61.300 -0.016 0.000 1.019 140 I CB 2.473 40.473 38.000 0.000 0.000 1.282 140 I HN 0.592 nan 8.210 nan 0.000 0.432 141 S N 2.471 118.161 115.700 -0.018 0.000 2.548 141 S HA 0.073 4.542 4.470 -0.000 0.000 0.266 141 S C -0.421 174.162 174.600 -0.030 0.000 1.374 141 S CA -0.222 57.965 58.200 -0.021 0.000 0.997 141 S CB 0.278 63.468 63.200 -0.017 0.000 0.855 141 S HN 0.415 nan 8.310 nan 0.000 0.534 142 V N 3.001 122.895 119.914 -0.033 0.000 2.334 142 V HA 0.276 4.396 4.120 -0.000 0.000 0.267 142 V C 0.910 176.976 176.094 -0.046 0.000 1.040 142 V CA -0.007 62.266 62.300 -0.044 0.000 0.866 142 V CB 0.584 32.383 31.823 -0.041 0.000 1.019 142 V HN 0.775 nan 8.190 nan 0.000 0.468 143 R N 2.292 122.758 120.500 -0.058 0.000 2.215 143 R HA 0.260 4.600 4.340 -0.000 0.000 0.190 143 R C 0.121 176.376 176.300 -0.075 0.000 0.968 143 R CA -0.326 55.740 56.100 -0.056 0.000 1.122 143 R CB 0.491 30.763 30.300 -0.047 0.000 1.151 143 R HN 0.581 nan 8.270 nan 0.000 0.582 144 E N 3.693 123.831 120.200 -0.103 0.000 2.417 144 E HA 0.074 4.424 4.350 -0.000 0.000 0.261 144 E C -2.346 174.174 176.600 -0.133 0.000 1.000 144 E CA -1.709 54.610 56.400 -0.135 0.000 0.919 144 E CB 0.283 29.863 29.700 -0.200 0.000 0.955 144 E HN -0.009 nan 8.360 nan 0.000 0.455 145 P HA -0.043 nan 4.420 nan 0.000 0.270 145 P C -0.299 176.935 177.300 -0.110 0.000 1.223 145 P CA 0.028 63.069 63.100 -0.099 0.000 0.785 145 P CB 0.460 32.106 31.700 -0.089 0.000 0.923 146 M N 1.778 121.338 119.600 -0.066 0.000 2.488 146 M HA 0.110 4.590 4.480 -0.000 0.000 0.204 146 M C -0.789 175.515 176.300 0.008 0.000 0.969 146 M CA -0.622 54.652 55.300 -0.043 0.000 0.720 146 M CB -0.079 32.496 32.600 -0.042 0.000 1.427 146 M HN 0.285 nan 8.290 nan 0.000 0.427 147 Q N 1.422 121.250 119.800 0.046 0.000 2.339 147 Q HA -0.006 4.334 4.340 -0.000 0.000 0.308 147 Q C 1.279 177.342 176.000 0.106 0.000 1.097 147 Q CA 0.638 56.510 55.803 0.115 0.000 1.007 147 Q CB -0.227 28.677 28.738 0.278 0.000 1.051 147 Q HN 0.671 nan 8.270 nan 0.000 0.381 148 T N -1.107 113.481 114.554 0.056 0.000 3.009 148 T HA 0.175 4.525 4.350 -0.000 0.000 0.258 148 T C 1.312 176.029 174.700 0.027 0.000 1.063 148 T CA 0.542 62.663 62.100 0.035 0.000 1.139 148 T CB 0.152 69.028 68.868 0.014 0.000 0.890 148 T HN 0.796 nan 8.240 nan 0.000 0.471 149 G N 1.530 110.347 108.800 0.029 0.000 2.175 149 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.244 149 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.244 149 G C 0.026 174.926 174.900 0.001 0.000 0.982 149 G CA -0.035 45.071 45.100 0.009 0.000 0.641 149 G HN 0.655 nan 8.290 nan 0.000 0.527 150 I N 1.290 121.860 120.570 -0.000 0.000 2.312 150 I HA 0.240 4.410 4.170 -0.000 0.000 0.291 150 I C 1.645 177.758 176.117 -0.006 0.000 1.031 150 I CA -0.648 60.645 61.300 -0.012 0.000 1.293 150 I CB 1.254 39.242 38.000 -0.019 0.000 1.403 150 I HN -0.024 nan 8.210 nan 0.000 0.484 151 K N 4.238 124.634 120.400 -0.007 0.000 2.160 151 K HA -0.228 4.092 4.320 -0.000 0.000 0.206 151 K C 2.001 178.599 176.600 -0.004 0.000 1.047 151 K CA 1.719 58.006 56.287 -0.001 0.000 0.930 151 K CB -0.092 32.407 32.500 -0.001 0.000 0.720 151 K HN 0.824 nan 8.250 nan 0.000 0.450 152 A N 1.017 123.830 122.820 -0.012 0.000 1.841 152 A HA -0.103 4.217 4.320 -0.000 0.000 0.214 152 A C 2.409 179.991 177.584 -0.004 0.000 1.195 152 A CA 1.315 53.346 52.037 -0.010 0.000 0.611 152 A CB -0.688 18.302 19.000 -0.016 0.000 0.835 152 A HN 0.041 nan 8.150 nan 0.000 0.443 153 V N 1.107 121.017 119.914 -0.007 0.000 2.214 153 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 153 V C 2.101 178.194 176.094 -0.001 0.000 1.047 153 V CA 2.345 64.642 62.300 -0.005 0.000 0.998 153 V CB -1.018 30.800 31.823 -0.009 0.000 0.633 153 V HN 0.524 nan 8.190 nan 0.000 0.446 154 D N 0.373 120.775 120.400 0.003 0.000 2.311 154 D HA -0.118 4.522 4.640 -0.000 0.000 0.212 154 D C 2.249 178.554 176.300 0.008 0.000 0.972 154 D CA 1.741 55.746 54.000 0.008 0.000 0.887 154 D CB -0.106 40.705 40.800 0.018 0.000 0.915 154 D HN 0.657 nan 8.370 nan 0.000 0.497 155 S N -1.158 114.546 115.700 0.007 0.000 2.497 155 S HA 0.137 4.607 4.470 -0.000 0.000 0.221 155 S C 1.724 176.328 174.600 0.006 0.000 1.037 155 S CA -0.188 58.016 58.200 0.008 0.000 0.920 155 S CB 0.213 63.418 63.200 0.008 0.000 0.800 155 S HN 0.187 nan 8.310 nan 0.000 0.505 156 L N 0.607 121.833 121.223 0.006 0.000 2.840 156 L HA 0.440 4.780 4.340 -0.000 0.000 0.249 156 L C -0.297 176.578 176.870 0.010 0.000 1.119 156 L CA 0.041 54.886 54.840 0.009 0.000 0.930 156 L CB 1.317 43.383 42.059 0.012 0.000 1.295 156 L HN 0.135 nan 8.230 nan 0.000 0.534 157 V N 0.958 120.875 119.914 0.005 0.000 2.562 157 V HA 0.222 4.342 4.120 -0.000 0.000 0.274 157 V C -2.372 173.718 176.094 -0.007 0.000 1.075 157 V CA -1.165 61.135 62.300 0.000 0.000 1.204 157 V CB 0.218 32.040 31.823 -0.001 0.000 1.478 157 V HN 0.003 nan 8.190 nan 0.000 0.622 158 P HA 0.118 nan 4.420 nan 0.000 0.264 158 P C -0.694 176.595 177.300 -0.018 0.000 1.183 158 P CA 0.483 63.577 63.100 -0.011 0.000 0.763 158 P CB 1.344 33.038 31.700 -0.010 0.000 0.807 159 I N 2.186 122.743 120.570 -0.021 0.000 2.433 159 I HA 0.431 4.601 4.170 -0.000 0.000 0.292 159 I C 1.001 177.095 176.117 -0.039 0.000 1.001 159 I CA -0.599 60.683 61.300 -0.029 0.000 1.119 159 I CB 1.253 39.236 38.000 -0.027 0.000 1.289 159 I HN 0.365 nan 8.210 nan 0.000 0.438 160 G N 5.400 114.173 108.800 -0.046 0.000 2.410 160 G HA2 0.518 4.478 3.960 -0.000 0.000 0.330 160 G HA3 0.518 4.478 3.960 -0.000 0.000 0.330 160 G C -0.164 174.692 174.900 -0.073 0.000 1.142 160 G CA -0.804 44.258 45.100 -0.062 0.000 0.902 160 G HN 0.503 nan 8.290 nan 0.000 0.491 161 R N -0.038 120.397 120.500 -0.108 0.000 2.537 161 R HA 0.363 4.703 4.340 -0.000 0.000 0.280 161 R C 1.217 177.463 176.300 -0.091 0.000 1.058 161 R CA 1.068 57.094 56.100 -0.125 0.000 1.057 161 R CB 0.733 30.887 30.300 -0.243 0.000 0.973 161 R HN 1.161 nan 8.270 nan 0.000 0.438 162 G N 1.313 110.078 108.800 -0.057 0.000 2.194 162 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.236 162 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.236 162 G C 0.164 175.046 174.900 -0.029 0.000 0.987 162 G CA 0.110 45.190 45.100 -0.034 0.000 0.635 162 G HN 0.597 nan 8.290 nan 0.000 0.520 163 Q N 0.020 119.799 119.800 -0.035 0.000 2.259 163 Q HA 0.646 4.985 4.340 -0.000 0.000 0.246 163 Q C -0.145 175.839 176.000 -0.027 0.000 0.920 163 Q CA -0.645 55.139 55.803 -0.031 0.000 0.895 163 Q CB 0.414 29.130 28.738 -0.036 0.000 1.220 163 Q HN 0.249 nan 8.270 nan 0.000 0.439 164 R N 2.469 122.952 120.500 -0.028 0.000 2.332 164 R HA 0.244 4.584 4.340 -0.000 0.000 0.306 164 R C -1.279 174.994 176.300 -0.044 0.000 1.117 164 R CA -0.446 55.637 56.100 -0.029 0.000 1.108 164 R CB 0.964 31.245 30.300 -0.032 0.000 1.126 164 R HN 0.460 nan 8.270 nan 0.000 0.548 165 E N 1.896 122.067 120.200 -0.048 0.000 2.191 165 E HA 0.357 4.707 4.350 -0.000 0.000 0.278 165 E C -1.204 175.348 176.600 -0.081 0.000 0.972 165 E CA -0.873 55.488 56.400 -0.065 0.000 0.804 165 E CB 0.907 30.572 29.700 -0.059 0.000 1.110 165 E HN 0.248 nan 8.360 nan 0.000 0.394 166 L N 5.324 126.479 121.223 -0.114 0.000 2.309 166 L HA 0.513 4.853 4.340 -0.000 0.000 0.282 166 L C -1.029 175.748 176.870 -0.154 0.000 1.036 166 L CA -0.323 54.436 54.840 -0.135 0.000 0.806 166 L CB 1.053 43.015 42.059 -0.162 0.000 1.220 166 L HN 0.649 nan 8.230 nan 0.000 0.429 167 I N 6.650 127.149 120.570 -0.118 0.000 2.312 167 I HA 0.429 4.599 4.170 -0.000 0.000 0.290 167 I C -0.481 175.578 176.117 -0.097 0.000 1.008 167 I CA -0.299 60.942 61.300 -0.099 0.000 1.226 167 I CB 1.311 39.278 38.000 -0.055 0.000 1.371 167 I HN 0.549 nan 8.210 nan 0.000 0.468 168 I N 5.311 125.813 120.570 -0.113 0.000 2.656 168 I HA 0.845 5.015 4.170 -0.000 0.000 0.292 168 I C -0.468 175.677 176.117 0.048 0.000 1.144 168 I CA 0.025 61.290 61.300 -0.058 0.000 1.038 168 I CB 2.082 40.006 38.000 -0.126 0.000 1.244 168 I HN 0.708 nan 8.210 nan 0.000 0.420 169 G N 4.927 113.779 108.800 0.086 0.000 2.320 169 G HA2 0.188 4.148 3.960 -0.000 0.000 0.296 169 G HA3 0.188 4.148 3.960 -0.000 0.000 0.296 169 G C -1.806 173.156 174.900 0.103 0.000 1.306 169 G CA -0.691 44.486 45.100 0.129 0.000 0.836 169 G HN 0.496 nan 8.290 nan 0.000 0.517 170 D N 0.005 120.468 120.400 0.106 0.000 2.314 170 D HA 0.363 5.003 4.640 -0.000 0.000 0.252 170 D C 1.227 177.579 176.300 0.086 0.000 1.295 170 D CA -0.013 54.042 54.000 0.091 0.000 0.995 170 D CB 0.301 41.155 40.800 0.090 0.000 1.125 170 D HN 0.672 nan 8.370 nan 0.000 0.537 171 R N 0.047 120.593 120.500 0.077 0.000 2.594 171 R HA 0.135 4.475 4.340 -0.000 0.000 0.272 171 R C -0.020 176.327 176.300 0.079 0.000 1.074 171 R CA -0.431 55.712 56.100 0.072 0.000 1.105 171 R CB 0.247 30.583 30.300 0.060 0.000 1.008 171 R HN 0.120 nan 8.270 nan 0.000 0.472 172 Q N 0.145 119.993 119.800 0.079 0.000 2.434 172 Q HA -0.170 4.170 4.340 -0.000 0.000 0.299 172 Q C 0.052 176.125 176.000 0.122 0.000 1.286 172 Q CA 1.734 57.588 55.803 0.085 0.000 0.872 172 Q CB -1.520 27.253 28.738 0.058 0.000 1.193 172 Q HN 1.007 nan 8.270 nan 0.000 0.466 173 T N -5.704 108.935 114.554 0.142 0.000 3.054 173 T HA 0.435 4.785 4.350 -0.000 0.000 0.255 173 T C 1.218 176.025 174.700 0.178 0.000 1.035 173 T CA 0.724 62.945 62.100 0.201 0.000 0.941 173 T CB 1.079 70.039 68.868 0.155 0.000 1.026 173 T HN 0.693 nan 8.240 nan 0.000 0.533 174 G N 1.696 110.572 108.800 0.128 0.000 2.163 174 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.213 174 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.213 174 G C 0.782 175.702 174.900 0.033 0.000 0.991 174 G CA 0.233 45.369 45.100 0.060 0.000 0.653 174 G HN 0.476 nan 8.290 nan 0.000 0.518 175 K N -0.112 120.317 120.400 0.049 0.000 2.015 175 K HA -0.148 4.172 4.320 -0.000 0.000 0.216 175 K C 2.640 179.264 176.600 0.039 0.000 1.052 175 K CA 2.309 58.617 56.287 0.034 0.000 0.937 175 K CB -0.410 32.112 32.500 0.037 0.000 0.719 175 K HN 0.369 nan 8.250 nan 0.000 0.446 176 T N 0.624 115.219 114.554 0.068 0.000 2.684 176 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 176 T C 1.914 176.663 174.700 0.082 0.000 1.036 176 T CA 1.596 63.763 62.100 0.112 0.000 1.148 176 T CB -0.253 68.702 68.868 0.146 0.000 0.863 176 T HN 0.152 nan 8.240 nan 0.000 0.436 177 S N 0.796 116.513 115.700 0.028 0.000 2.528 177 S HA -0.014 4.456 4.470 -0.000 0.000 0.244 177 S C 1.637 176.214 174.600 -0.039 0.000 0.982 177 S CA 0.435 58.611 58.200 -0.039 0.000 0.953 177 S CB -0.305 62.826 63.200 -0.116 0.000 0.754 177 S HN 0.316 nan 8.310 nan 0.000 0.529 178 I N 0.655 121.221 120.570 -0.007 0.000 3.035 178 I HA 0.137 4.307 4.170 -0.000 0.000 0.271 178 I C 2.351 178.479 176.117 0.018 0.000 1.190 178 I CA 0.326 61.620 61.300 -0.010 0.000 1.472 178 I CB -1.415 36.576 38.000 -0.015 0.000 1.116 178 I HN 0.218 nan 8.210 nan 0.000 0.443 179 A N 0.768 123.619 122.820 0.052 0.000 1.935 179 A HA -0.012 4.308 4.320 -0.000 0.000 0.214 179 A C 2.162 179.814 177.584 0.112 0.000 1.178 179 A CA 0.679 52.767 52.037 0.085 0.000 0.640 179 A CB -0.310 18.766 19.000 0.127 0.000 0.825 179 A HN 0.158 nan 8.150 nan 0.000 0.447 180 I N 1.002 121.640 120.570 0.115 0.000 2.179 180 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 180 I C 1.818 177.998 176.117 0.105 0.000 1.088 180 I CA 1.687 63.051 61.300 0.108 0.000 1.357 180 I CB -1.426 36.661 38.000 0.144 0.000 1.051 180 I HN 0.296 nan 8.210 nan 0.000 0.409 181 D N 0.555 121.004 120.400 0.081 0.000 2.078 181 D HA -0.153 4.487 4.640 -0.000 0.000 0.193 181 D C 2.122 178.453 176.300 0.051 0.000 0.990 181 D CA 1.730 55.769 54.000 0.064 0.000 0.827 181 D CB -0.726 40.079 40.800 0.009 0.000 0.975 181 D HN 0.189 nan 8.370 nan 0.000 0.451 182 T N 0.982 115.560 114.554 0.041 0.000 2.792 182 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 182 T C 2.050 176.787 174.700 0.063 0.000 1.059 182 T CA 0.708 62.833 62.100 0.042 0.000 1.136 182 T CB -0.221 68.667 68.868 0.033 0.000 0.846 182 T HN 0.175 nan 8.240 nan 0.000 0.489 183 I N 0.100 120.721 120.570 0.085 0.000 2.235 183 I HA -0.091 4.079 4.170 -0.000 0.000 0.241 183 I C 2.178 178.385 176.117 0.149 0.000 1.085 183 I CA 0.620 61.998 61.300 0.130 0.000 1.378 183 I CB -0.233 37.837 38.000 0.116 0.000 1.076 183 I HN 0.162 nan 8.210 nan 0.000 0.415 184 I N 1.264 121.890 120.570 0.094 0.000 2.087 184 I HA -0.396 3.774 4.170 -0.000 0.000 0.240 184 I C 2.312 178.458 176.117 0.049 0.000 1.054 184 I CA 1.962 63.306 61.300 0.074 0.000 1.311 184 I CB -1.830 36.208 38.000 0.063 0.000 1.024 184 I HN 0.378 nan 8.210 nan 0.000 0.402 185 N N 0.906 119.608 118.700 0.003 0.000 2.133 185 N HA -0.258 4.482 4.740 -0.000 0.000 0.193 185 N C 1.702 177.089 175.510 -0.205 0.000 1.012 185 N CA 1.488 54.483 53.050 -0.092 0.000 0.871 185 N CB -0.030 38.428 38.487 -0.049 0.000 1.011 185 N HN 0.312 nan 8.380 nan 0.000 0.435 186 Q N 0.456 120.210 119.800 -0.078 0.000 2.297 186 Q HA -0.153 4.187 4.340 -0.000 0.000 0.208 186 Q C 1.816 177.636 176.000 -0.300 0.000 0.981 186 Q CA 0.913 56.620 55.803 -0.161 0.000 0.876 186 Q CB -0.340 28.324 28.738 -0.122 0.000 0.921 186 Q HN 0.576 nan 8.270 nan 0.000 0.446 187 K N 1.071 121.415 120.400 -0.093 0.000 2.020 187 K HA -0.200 4.120 4.320 -0.000 0.000 0.212 187 K C 1.971 178.445 176.600 -0.210 0.000 1.050 187 K CA 1.267 57.529 56.287 -0.042 0.000 0.929 187 K CB 0.015 32.562 32.500 0.079 0.000 0.714 187 K HN 0.044 nan 8.250 nan 0.000 0.443 188 R N -0.461 119.835 120.500 -0.341 0.000 2.271 188 R HA -0.250 4.090 4.340 -0.000 0.000 0.235 188 R C 2.269 178.387 176.300 -0.303 0.000 1.112 188 R CA 2.836 58.671 56.100 -0.441 0.000 0.886 188 R CB -0.979 28.773 30.300 -0.913 0.000 0.934 188 R HN 0.332 nan 8.270 nan 0.000 0.420 189 F N 0.122 120.008 119.950 -0.107 0.000 2.293 189 F HA -0.101 4.426 4.527 -0.000 0.000 0.300 189 F C 2.331 178.025 175.800 -0.177 0.000 1.086 189 F CA 0.155 58.078 58.000 -0.129 0.000 1.375 189 F CB -0.284 38.633 39.000 -0.139 0.000 1.045 189 F HN 0.115 nan 8.300 nan 0.000 0.516 190 N N 0.417 119.037 118.700 -0.133 0.000 2.142 190 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 190 N C 1.085 176.539 175.510 -0.094 0.000 1.023 190 N CA 1.305 54.211 53.050 -0.241 0.000 0.852 190 N CB -0.423 37.721 38.487 -0.572 0.000 0.998 190 N HN 0.280 nan 8.380 nan 0.000 0.424 191 D N 0.476 120.848 120.400 -0.048 0.000 2.349 191 D HA 0.052 4.692 4.640 -0.000 0.000 0.224 191 D C 1.092 177.394 176.300 0.002 0.000 1.029 191 D CA 0.133 54.132 54.000 -0.002 0.000 0.879 191 D CB -0.034 40.770 40.800 0.006 0.000 0.906 191 D HN 0.158 nan 8.370 nan 0.000 0.528 192 G N 0.211 109.014 108.800 0.004 0.000 2.563 192 G HA2 0.227 4.187 3.960 -0.000 0.000 0.283 192 G HA3 0.227 4.187 3.960 -0.000 0.000 0.283 192 G C 1.148 176.058 174.900 0.017 0.000 1.309 192 G CA 0.228 45.341 45.100 0.022 0.000 1.022 192 G HN 0.130 nan 8.290 nan 0.000 0.501 193 T N -3.254 111.311 114.554 0.018 0.000 3.015 193 T HA 0.073 4.423 4.350 -0.000 0.000 0.250 193 T C 0.711 175.415 174.700 0.007 0.000 1.057 193 T CA 0.393 62.500 62.100 0.012 0.000 1.066 193 T CB 0.210 69.084 68.868 0.010 0.000 0.959 193 T HN 0.317 nan 8.240 nan 0.000 0.488 194 D N 2.440 122.845 120.400 0.007 0.000 2.398 194 D HA 0.086 4.726 4.640 -0.000 0.000 0.250 194 D C 0.802 177.093 176.300 -0.015 0.000 1.287 194 D CA 0.060 54.056 54.000 -0.007 0.000 0.992 194 D CB 0.488 41.278 40.800 -0.016 0.000 1.071 194 D HN 0.474 nan 8.370 nan 0.000 0.514 195 E N 1.611 121.805 120.200 -0.011 0.000 2.418 195 E HA -0.131 4.219 4.350 -0.000 0.000 0.197 195 E C 1.057 177.643 176.600 -0.022 0.000 1.026 195 E CA 0.562 56.953 56.400 -0.015 0.000 0.862 195 E CB 0.393 30.095 29.700 0.003 0.000 0.799 195 E HN 0.203 nan 8.360 nan 0.000 0.518 196 K N 0.566 120.958 120.400 -0.013 0.000 2.418 196 K HA 0.018 4.338 4.320 -0.000 0.000 0.195 196 K C 1.383 178.003 176.600 0.034 0.000 1.035 196 K CA 0.594 56.895 56.287 0.023 0.000 1.003 196 K CB 0.249 32.762 32.500 0.022 0.000 0.793 196 K HN -0.048 nan 8.250 nan 0.000 0.494 197 K N 0.315 120.680 120.400 -0.058 0.000 2.354 197 K HA 0.118 4.438 4.320 -0.000 0.000 0.194 197 K C -0.196 176.330 176.600 -0.123 0.000 1.038 197 K CA -0.011 56.173 56.287 -0.171 0.000 1.052 197 K CB 0.474 32.754 32.500 -0.367 0.000 0.861 197 K HN 0.009 nan 8.250 nan 0.000 0.535 198 K N 1.618 121.967 120.400 -0.085 0.000 2.489 198 K HA 0.037 4.357 4.320 -0.000 0.000 0.278 198 K C -0.609 175.856 176.600 -0.225 0.000 1.000 198 K CA 0.104 56.278 56.287 -0.188 0.000 1.012 198 K CB 0.393 32.736 32.500 -0.263 0.000 0.903 198 K HN -0.131 nan 8.250 nan 0.000 0.485 199 L N 4.385 125.399 121.223 -0.348 0.000 2.439 199 L HA 0.307 4.647 4.340 -0.000 0.000 0.270 199 L C -1.642 174.968 176.870 -0.433 0.000 0.972 199 L CA -0.457 54.225 54.840 -0.264 0.000 0.836 199 L CB 0.993 43.000 42.059 -0.087 0.000 1.255 199 L HN 0.450 nan 8.230 nan 0.000 0.404 200 Y N 3.314 123.522 120.300 -0.154 0.000 2.308 200 Y HA 0.475 5.025 4.550 -0.000 0.000 0.329 200 Y C 0.465 176.271 175.900 -0.156 0.000 1.111 200 Y CA -0.173 57.802 58.100 -0.209 0.000 1.179 200 Y CB 1.153 39.282 38.460 -0.551 0.000 1.201 200 Y HN 0.521 nan 8.280 nan 0.000 0.483 201 C N 4.662 124.051 119.300 0.148 0.000 2.366 201 C HA 0.643 5.103 4.460 -0.000 0.000 0.345 201 C C 0.069 175.078 174.990 0.032 0.000 1.209 201 C CA -1.035 58.035 59.018 0.087 0.000 2.050 201 C CB 0.127 27.968 27.740 0.169 0.000 2.359 201 C HN 0.648 nan 8.230 nan 0.000 0.527 202 I N 2.142 122.703 120.570 -0.014 0.000 2.476 202 I HA 0.179 4.349 4.170 -0.000 0.000 0.281 202 I C -1.167 174.923 176.117 -0.045 0.000 1.040 202 I CA -0.304 60.975 61.300 -0.034 0.000 1.094 202 I CB 0.806 38.753 38.000 -0.090 0.000 1.219 202 I HN 0.673 nan 8.210 nan 0.000 0.450 203 Y N 7.276 127.524 120.300 -0.087 0.000 2.454 203 Y HA 0.442 4.992 4.550 -0.000 0.000 0.345 203 Y C -0.393 175.462 175.900 -0.075 0.000 0.970 203 Y CA -0.502 57.547 58.100 -0.085 0.000 1.204 203 Y CB 0.917 39.346 38.460 -0.051 0.000 1.122 203 Y HN 0.251 nan 8.280 nan 0.000 0.514 204 V N 6.749 126.453 119.914 -0.351 0.000 2.368 204 V HA 0.487 4.607 4.120 -0.000 0.000 0.266 204 V C 0.235 176.186 176.094 -0.238 0.000 1.045 204 V CA -0.530 61.654 62.300 -0.193 0.000 0.899 204 V CB 0.415 32.149 31.823 -0.148 0.000 1.006 204 V HN 0.888 nan 8.190 nan 0.000 0.470 205 A N 6.870 129.690 122.820 0.000 0.000 2.260 205 A HA 0.815 5.135 4.320 -0.000 0.000 0.308 205 A C -0.653 176.955 177.584 0.041 0.000 1.254 205 A CA -0.327 51.753 52.037 0.072 0.000 0.874 205 A CB 0.104 19.254 19.000 0.250 0.000 1.153 205 A HN 0.689 nan 8.150 nan 0.000 0.527 206 I N 1.955 122.539 120.570 0.023 0.000 2.382 206 I HA 0.552 4.722 4.170 -0.000 0.000 0.286 206 I C 1.137 177.280 176.117 0.044 0.000 1.002 206 I CA 0.487 61.806 61.300 0.031 0.000 1.135 206 I CB 1.547 39.559 38.000 0.020 0.000 1.288 206 I HN 1.002 nan 8.210 nan 0.000 0.448 207 G N 3.753 112.581 108.800 0.047 0.000 2.168 207 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.257 207 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.257 207 G C 0.326 175.257 174.900 0.051 0.000 0.997 207 G CA 0.056 45.185 45.100 0.048 0.000 0.708 207 G HN 0.602 nan 8.290 nan 0.000 0.520 208 Q N -0.368 119.468 119.800 0.059 0.000 2.222 208 Q HA 0.525 4.865 4.340 -0.000 0.000 0.211 208 Q C 0.648 176.679 176.000 0.051 0.000 1.013 208 Q CA -0.354 55.487 55.803 0.064 0.000 0.993 208 Q CB 0.677 29.470 28.738 0.091 0.000 1.151 208 Q HN 0.575 nan 8.270 nan 0.000 0.544 209 K N -0.124 120.303 120.400 0.046 0.000 2.156 209 K HA 0.339 4.659 4.320 -0.000 0.000 0.271 209 K C 0.213 176.832 176.600 0.032 0.000 0.995 209 K CA -0.597 55.711 56.287 0.035 0.000 0.890 209 K CB 1.469 33.987 32.500 0.030 0.000 1.073 209 K HN 0.423 nan 8.250 nan 0.000 0.454 210 R N 1.147 121.663 120.500 0.026 0.000 2.159 210 R HA -0.242 4.098 4.340 -0.000 0.000 0.252 210 R C 1.958 178.265 176.300 0.013 0.000 1.144 210 R CA 2.565 58.676 56.100 0.019 0.000 0.961 210 R CB -0.678 29.631 30.300 0.015 0.000 0.877 210 R HN 0.857 nan 8.270 nan 0.000 0.444 211 S N 0.119 115.826 115.700 0.013 0.000 2.404 211 S HA -0.265 4.205 4.470 -0.000 0.000 0.230 211 S C 2.034 176.637 174.600 0.005 0.000 1.046 211 S CA 2.208 60.413 58.200 0.008 0.000 1.135 211 S CB -0.976 62.231 63.200 0.013 0.000 1.056 211 S HN 0.393 nan 8.310 nan 0.000 0.426 212 T N 2.311 116.873 114.554 0.014 0.000 2.699 212 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 212 T C 1.942 176.636 174.700 -0.010 0.000 1.036 212 T CA 1.428 63.535 62.100 0.012 0.000 1.147 212 T CB -0.655 68.233 68.868 0.033 0.000 0.862 212 T HN 0.222 nan 8.240 nan 0.000 0.446 213 V N 1.803 121.715 119.914 -0.002 0.000 2.261 213 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 213 V C 2.922 178.983 176.094 -0.056 0.000 1.047 213 V CA 1.752 64.035 62.300 -0.028 0.000 1.015 213 V CB -1.362 30.467 31.823 0.010 0.000 0.642 213 V HN 0.546 nan 8.190 nan 0.000 0.446 214 A N -0.769 122.031 122.820 -0.033 0.000 1.948 214 A HA -0.287 4.033 4.320 -0.000 0.000 0.220 214 A C 2.193 179.744 177.584 -0.055 0.000 1.177 214 A CA 1.941 53.954 52.037 -0.040 0.000 0.636 214 A CB -0.433 18.552 19.000 -0.024 0.000 0.815 214 A HN 0.590 nan 8.150 nan 0.000 0.449 215 Q N -0.961 118.809 119.800 -0.050 0.000 2.096 215 Q HA -0.029 4.311 4.340 -0.000 0.000 0.197 215 Q C 2.159 178.105 176.000 -0.089 0.000 0.964 215 Q CA 0.717 56.487 55.803 -0.056 0.000 0.838 215 Q CB -0.607 28.114 28.738 -0.028 0.000 0.906 215 Q HN 0.594 nan 8.270 nan 0.000 0.444 216 L N 1.593 122.752 121.223 -0.105 0.000 2.043 216 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 216 L C 2.375 179.124 176.870 -0.201 0.000 1.075 216 L CA 1.898 56.631 54.840 -0.178 0.000 0.752 216 L CB -0.968 40.927 42.059 -0.274 0.000 0.891 216 L HN 0.161 nan 8.230 nan 0.000 0.432 217 V N -1.871 117.945 119.914 -0.164 0.000 2.323 217 V HA -0.234 3.886 4.120 -0.000 0.000 0.244 217 V C 2.652 178.665 176.094 -0.135 0.000 1.041 217 V CA 1.831 64.043 62.300 -0.147 0.000 1.025 217 V CB -1.072 30.688 31.823 -0.105 0.000 0.656 217 V HN 0.409 nan 8.190 nan 0.000 0.451 218 K N 0.423 120.753 120.400 -0.116 0.000 2.074 218 K HA -0.307 4.013 4.320 -0.000 0.000 0.209 218 K C 2.422 178.934 176.600 -0.148 0.000 1.048 218 K CA 2.209 58.429 56.287 -0.113 0.000 0.926 218 K CB -0.260 32.183 32.500 -0.094 0.000 0.713 218 K HN 0.402 nan 8.250 nan 0.000 0.444 219 R N 0.886 121.277 120.500 -0.182 0.000 2.103 219 R HA -0.078 4.262 4.340 -0.000 0.000 0.234 219 R C 2.223 178.387 176.300 -0.227 0.000 1.132 219 R CA 1.881 57.825 56.100 -0.260 0.000 0.925 219 R CB -0.771 29.337 30.300 -0.320 0.000 0.842 219 R HN 0.282 nan 8.270 nan 0.000 0.430 220 L N -0.432 120.674 121.223 -0.196 0.000 2.189 220 L HA -0.221 4.119 4.340 -0.000 0.000 0.214 220 L C 2.081 178.840 176.870 -0.185 0.000 1.097 220 L CA 1.786 56.515 54.840 -0.186 0.000 0.764 220 L CB -0.531 41.412 42.059 -0.194 0.000 0.900 220 L HN 0.362 nan 8.230 nan 0.000 0.436 221 T N -1.685 112.772 114.554 -0.161 0.000 2.852 221 T HA -0.098 4.252 4.350 -0.000 0.000 0.256 221 T C 1.369 175.998 174.700 -0.118 0.000 1.038 221 T CA 0.787 62.806 62.100 -0.135 0.000 1.141 221 T CB -0.083 68.719 68.868 -0.109 0.000 0.869 221 T HN 0.259 nan 8.240 nan 0.000 0.439 222 D N 1.565 121.891 120.400 -0.124 0.000 2.351 222 D HA 0.038 4.677 4.640 -0.000 0.000 0.216 222 D C 1.486 177.721 176.300 -0.109 0.000 0.968 222 D CA 0.401 54.334 54.000 -0.110 0.000 0.899 222 D CB -0.000 40.725 40.800 -0.124 0.000 0.907 222 D HN 0.404 nan 8.370 nan 0.000 0.514 223 A N 0.420 123.165 122.820 -0.124 0.000 2.430 223 A HA 0.105 4.425 4.320 -0.000 0.000 0.243 223 A C 0.454 177.984 177.584 -0.089 0.000 1.254 223 A CA 0.020 51.995 52.037 -0.103 0.000 0.914 223 A CB 0.230 19.160 19.000 -0.116 0.000 0.998 223 A HN 0.004 nan 8.150 nan 0.000 0.515 224 D N -1.560 118.780 120.400 -0.100 0.000 2.697 224 D HA -0.208 4.432 4.640 -0.000 0.000 0.235 224 D C 0.689 176.900 176.300 -0.149 0.000 1.167 224 D CA 1.075 55.019 54.000 -0.094 0.000 0.656 224 D CB -1.081 39.695 40.800 -0.041 0.000 1.025 224 D HN 0.522 nan 8.370 nan 0.000 0.419 225 A N 0.419 123.066 122.820 -0.289 0.000 2.127 225 A HA 0.166 4.486 4.320 -0.000 0.000 0.204 225 A C 2.037 179.088 177.584 -0.888 0.000 1.243 225 A CA 0.371 52.006 52.037 -0.670 0.000 0.887 225 A CB 0.019 18.778 19.000 -0.403 0.000 0.933 225 A HN 0.332 nan 8.150 nan 0.000 0.479 226 M N 1.458 120.799 119.600 -0.432 0.000 2.202 226 M HA -0.181 4.299 4.480 -0.000 0.000 0.262 226 M C 2.029 178.184 176.300 -0.242 0.000 1.063 226 M CA 1.958 57.080 55.300 -0.296 0.000 1.097 226 M CB -0.859 31.637 32.600 -0.174 0.000 1.382 226 M HN 0.686 nan 8.290 nan 0.000 0.413 227 K N 0.180 120.451 120.400 -0.214 0.000 2.286 227 K HA -0.198 4.122 4.320 -0.000 0.000 0.203 227 K C 0.852 177.498 176.600 0.077 0.000 1.045 227 K CA 1.821 58.079 56.287 -0.048 0.000 0.935 227 K CB -0.639 31.870 32.500 0.015 0.000 0.737 227 K HN 0.549 nan 8.250 nan 0.000 0.460 228 Y N -1.072 119.275 120.300 0.079 0.000 2.738 228 Y HA 0.456 5.006 4.550 -0.000 0.000 0.249 228 Y C -0.561 175.409 175.900 0.116 0.000 1.157 228 Y CA -1.109 57.086 58.100 0.157 0.000 1.189 228 Y CB 0.073 38.628 38.460 0.158 0.000 1.262 228 Y HN -0.203 nan 8.280 nan 0.000 0.554 229 T N 2.667 117.204 114.554 -0.030 0.000 2.885 229 T HA 0.628 4.977 4.350 -0.000 0.000 0.285 229 T C -0.521 174.185 174.700 0.009 0.000 1.019 229 T CA -0.414 61.686 62.100 -0.001 0.000 1.010 229 T CB 2.046 70.833 68.868 -0.134 0.000 1.022 229 T HN 0.147 nan 8.240 nan 0.000 0.466 230 I N 2.100 122.689 120.570 0.031 0.000 2.441 230 I HA 0.526 4.696 4.170 -0.000 0.000 0.295 230 I C -0.760 175.385 176.117 0.046 0.000 0.994 230 I CA -1.027 60.292 61.300 0.031 0.000 1.144 230 I CB 1.964 39.985 38.000 0.034 0.000 1.314 230 I HN 0.225 nan 8.210 nan 0.000 0.445 231 V N 7.053 126.993 119.914 0.044 0.000 2.444 231 V HA 0.368 4.488 4.120 -0.000 0.000 0.294 231 V C -0.323 175.810 176.094 0.065 0.000 1.022 231 V CA -0.576 61.769 62.300 0.076 0.000 0.850 231 V CB 2.191 34.041 31.823 0.044 0.000 0.992 231 V HN 0.370 nan 8.190 nan 0.000 0.426 232 V N 4.213 124.174 119.914 0.078 0.000 2.417 232 V HA 0.583 4.703 4.120 -0.000 0.000 0.291 232 V C 0.128 176.264 176.094 0.069 0.000 1.024 232 V CA -0.277 62.056 62.300 0.054 0.000 0.861 232 V CB 1.837 33.681 31.823 0.035 0.000 0.985 232 V HN 0.818 nan 8.190 nan 0.000 0.436 233 S N 4.070 119.803 115.700 0.054 0.000 2.745 233 S HA 0.675 5.145 4.470 -0.000 0.000 0.283 233 S C -0.127 174.496 174.600 0.038 0.000 1.170 233 S CA -0.131 58.103 58.200 0.057 0.000 1.119 233 S CB 0.951 64.185 63.200 0.057 0.000 1.035 233 S HN 1.059 nan 8.310 nan 0.000 0.483 234 A N 4.499 127.340 122.820 0.034 0.000 2.969 234 A HA 0.541 4.861 4.320 -0.000 0.000 0.328 234 A C 0.839 178.440 177.584 0.030 0.000 1.355 234 A CA -0.453 51.596 52.037 0.021 0.000 1.018 234 A CB -0.717 18.289 19.000 0.010 0.000 1.159 234 A HN 0.957 nan 8.150 nan 0.000 0.505 235 T N -1.616 112.957 114.554 0.032 0.000 2.680 235 T HA 0.315 4.665 4.350 -0.000 0.000 0.314 235 T C 1.500 176.218 174.700 0.029 0.000 1.045 235 T CA 0.166 62.287 62.100 0.034 0.000 1.025 235 T CB 0.621 69.508 68.868 0.031 0.000 1.000 235 T HN 1.073 nan 8.240 nan 0.000 0.535 236 A N 0.720 123.558 122.820 0.031 0.000 2.139 236 A HA -0.045 4.275 4.320 -0.000 0.000 0.221 236 A C 2.591 180.188 177.584 0.021 0.000 1.159 236 A CA 2.051 54.104 52.037 0.027 0.000 0.662 236 A CB -1.282 17.735 19.000 0.028 0.000 0.796 236 A HN 1.193 nan 8.150 nan 0.000 0.463 237 S N -0.989 114.723 115.700 0.019 0.000 2.492 237 S HA 0.064 4.534 4.470 -0.000 0.000 0.218 237 S C 0.263 174.871 174.600 0.013 0.000 1.016 237 S CA 0.056 58.265 58.200 0.015 0.000 0.916 237 S CB -0.250 62.958 63.200 0.014 0.000 0.791 237 S HN 0.344 nan 8.310 nan 0.000 0.513 238 D N 2.829 123.237 120.400 0.013 0.000 2.423 238 D HA 0.525 5.165 4.640 -0.000 0.000 0.238 238 D C 0.450 176.752 176.300 0.003 0.000 1.142 238 D CA 0.628 54.633 54.000 0.008 0.000 0.884 238 D CB 1.021 41.823 40.800 0.003 0.000 1.199 238 D HN 0.544 nan 8.370 nan 0.000 0.438 239 A N 1.790 124.609 122.820 -0.000 0.000 2.492 239 A HA 0.375 4.695 4.320 -0.000 0.000 0.236 239 A C 1.495 179.072 177.584 -0.013 0.000 1.078 239 A CA 0.405 52.442 52.037 0.000 0.000 0.773 239 A CB 0.051 19.063 19.000 0.021 0.000 1.023 239 A HN 0.639 nan 8.150 nan 0.000 0.504 240 A N 2.464 125.286 122.820 0.004 0.000 1.859 240 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 240 A C 0.257 177.860 177.584 0.031 0.000 1.209 240 A CA 2.194 54.242 52.037 0.019 0.000 0.639 240 A CB -1.847 17.160 19.000 0.011 0.000 0.835 240 A HN 0.729 nan 8.150 nan 0.000 0.450 241 P HA -0.136 nan 4.420 nan 0.000 0.221 241 P C 1.527 178.649 177.300 -0.297 0.000 1.145 241 P CA 1.060 64.152 63.100 -0.014 0.000 0.795 241 P CB -0.196 31.490 31.700 -0.023 0.000 0.775 242 L N -0.449 120.558 121.223 -0.359 0.000 2.027 242 L HA -0.162 4.178 4.340 -0.000 0.000 0.206 242 L C 2.978 179.775 176.870 -0.122 0.000 1.074 242 L CA 1.597 56.247 54.840 -0.316 0.000 0.745 242 L CB -1.081 40.872 42.059 -0.176 0.000 0.898 242 L HN -0.029 nan 8.230 nan 0.000 0.433 243 Q N -1.121 118.662 119.800 -0.028 0.000 2.170 243 Q HA -0.248 4.092 4.340 -0.000 0.000 0.203 243 Q C 2.059 178.116 176.000 0.095 0.000 0.976 243 Q CA 1.653 57.477 55.803 0.035 0.000 0.858 243 Q CB -0.252 28.520 28.738 0.057 0.000 0.907 243 Q HN 0.517 nan 8.270 nan 0.000 0.433 244 Y N 0.814 121.116 120.300 0.003 0.000 2.314 244 Y HA -0.113 4.437 4.550 -0.000 0.000 0.293 244 Y C 1.519 177.491 175.900 0.119 0.000 1.129 244 Y CA 1.079 59.227 58.100 0.080 0.000 1.201 244 Y CB -0.122 38.418 38.460 0.134 0.000 0.999 244 Y HN -0.022 nan 8.280 nan 0.000 0.541 245 L N -0.259 120.803 121.223 -0.268 0.000 2.102 245 L HA -0.002 4.338 4.340 -0.000 0.000 0.202 245 L C 2.846 179.683 176.870 -0.055 0.000 1.076 245 L CA 0.876 55.551 54.840 -0.274 0.000 0.761 245 L CB -1.159 40.754 42.059 -0.244 0.000 0.921 245 L HN 0.261 nan 8.230 nan 0.000 0.444 246 A N 0.904 123.697 122.820 -0.045 0.000 1.957 246 A HA -0.253 4.067 4.320 -0.000 0.000 0.224 246 A C -0.129 177.471 177.584 0.027 0.000 1.287 246 A CA 2.608 54.646 52.037 0.001 0.000 0.682 246 A CB -2.123 16.880 19.000 0.004 0.000 0.833 246 A HN 0.294 nan 8.150 nan 0.000 0.482 247 P HA -0.156 nan 4.420 nan 0.000 0.215 247 P C 1.039 178.306 177.300 -0.056 0.000 1.157 247 P CA 1.537 64.603 63.100 -0.057 0.000 0.868 247 P CB -0.204 31.255 31.700 -0.401 0.000 0.788 248 Y N 0.175 120.436 120.300 -0.065 0.000 2.130 248 Y HA -0.181 4.369 4.550 -0.000 0.000 0.287 248 Y C 2.829 178.732 175.900 0.005 0.000 1.124 248 Y CA 1.745 59.815 58.100 -0.051 0.000 1.118 248 Y CB -1.519 36.856 38.460 -0.142 0.000 0.994 248 Y HN -0.019 nan 8.280 nan 0.000 0.497 249 S N -0.313 115.482 115.700 0.159 0.000 2.407 249 S HA -0.243 4.227 4.470 -0.000 0.000 0.235 249 S C 2.222 176.879 174.600 0.095 0.000 1.036 249 S CA 1.348 59.607 58.200 0.099 0.000 1.013 249 S CB -1.394 61.843 63.200 0.062 0.000 0.820 249 S HN 0.528 nan 8.310 nan 0.000 0.476 250 G N 0.187 109.045 108.800 0.098 0.000 2.395 250 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.214 250 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.214 250 G C 1.685 176.638 174.900 0.088 0.000 1.177 250 G CA 0.625 45.767 45.100 0.071 0.000 0.794 250 G HN 0.628 nan 8.290 nan 0.000 0.532 251 C N 0.867 120.264 119.300 0.161 0.000 2.403 251 C HA -0.049 4.411 4.460 -0.000 0.000 0.279 251 C C 3.257 178.335 174.990 0.147 0.000 1.269 251 C CA 1.723 60.845 59.018 0.173 0.000 1.774 251 C CB -1.025 26.844 27.740 0.215 0.000 1.993 251 C HN 0.347 nan 8.230 nan 0.000 0.496 252 S N 0.397 116.184 115.700 0.144 0.000 2.343 252 S HA -0.184 4.286 4.470 -0.000 0.000 0.219 252 S C 1.749 176.450 174.600 0.168 0.000 1.033 252 S CA 2.012 60.297 58.200 0.140 0.000 1.014 252 S CB -0.472 62.796 63.200 0.114 0.000 0.915 252 S HN 0.660 nan 8.310 nan 0.000 0.435 253 M N 0.925 120.616 119.600 0.152 0.000 2.192 253 M HA -0.172 4.308 4.480 -0.000 0.000 0.256 253 M C 2.183 178.705 176.300 0.370 0.000 1.076 253 M CA 1.637 57.059 55.300 0.204 0.000 1.075 253 M CB -0.683 32.004 32.600 0.144 0.000 1.368 253 M HN 0.493 nan 8.290 nan 0.000 0.406 254 G N -0.744 108.212 108.800 0.260 0.000 2.464 254 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.217 254 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.217 254 G C 1.262 176.369 174.900 0.345 0.000 1.138 254 G CA 0.250 45.515 45.100 0.275 0.000 0.793 254 G HN 0.499 nan 8.290 nan 0.000 0.539 255 E N -0.491 119.865 120.200 0.262 0.000 2.208 255 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 255 E C 1.895 178.620 176.600 0.208 0.000 0.988 255 E CA 0.469 56.992 56.400 0.205 0.000 0.828 255 E CB -0.198 29.593 29.700 0.152 0.000 0.763 255 E HN 0.581 nan 8.360 nan 0.000 0.478 256 Y N 0.752 121.109 120.300 0.096 0.000 2.128 256 Y HA -0.282 4.268 4.550 -0.000 0.000 0.284 256 Y C 1.676 177.490 175.900 -0.142 0.000 1.154 256 Y CA 1.660 59.709 58.100 -0.085 0.000 1.149 256 Y CB -0.320 37.991 38.460 -0.248 0.000 0.976 256 Y HN -0.074 nan 8.280 nan 0.000 0.505 257 F N 0.017 119.998 119.950 0.051 0.000 2.206 257 F HA -0.021 4.506 4.527 -0.000 0.000 0.298 257 F C 2.719 178.498 175.800 -0.035 0.000 1.090 257 F CA 1.530 59.506 58.000 -0.040 0.000 1.323 257 F CB -0.699 38.367 39.000 0.111 0.000 1.028 257 F HN -0.076 nan 8.300 nan 0.000 0.492 258 R N 0.591 121.223 120.500 0.219 0.000 2.120 258 R HA -0.157 4.183 4.340 -0.000 0.000 0.234 258 R C 0.898 177.247 176.300 0.082 0.000 1.123 258 R CA 1.876 58.067 56.100 0.152 0.000 0.975 258 R CB -0.333 30.054 30.300 0.144 0.000 0.866 258 R HN 0.173 nan 8.270 nan 0.000 0.446 259 D N -0.507 119.906 120.400 0.022 0.000 2.349 259 D HA -0.007 4.633 4.640 -0.000 0.000 0.215 259 D C -0.096 176.154 176.300 -0.084 0.000 1.016 259 D CA 0.610 54.611 54.000 0.001 0.000 0.870 259 D CB 0.193 40.991 40.800 -0.003 0.000 0.917 259 D HN 0.193 nan 8.370 nan 0.000 0.524 260 N N -0.665 117.929 118.700 -0.176 0.000 2.467 260 N HA 0.322 5.062 4.740 -0.000 0.000 0.278 260 N C 0.947 176.375 175.510 -0.135 0.000 1.306 260 N CA 0.180 53.093 53.050 -0.227 0.000 0.905 260 N CB 1.158 39.355 38.487 -0.483 0.000 1.236 260 N HN 0.025 nan 8.380 nan 0.000 0.509 261 G N -0.026 108.734 108.800 -0.067 0.000 2.257 261 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.267 261 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.267 261 G C 0.260 175.040 174.900 -0.201 0.000 0.984 261 G CA 0.648 45.704 45.100 -0.074 0.000 0.626 261 G HN 0.388 nan 8.290 nan 0.000 0.540 262 K N 0.532 120.855 120.400 -0.128 0.000 2.090 262 K HA 0.627 4.947 4.320 -0.000 0.000 0.250 262 K C -0.153 176.371 176.600 -0.127 0.000 1.004 262 K CA -0.685 55.529 56.287 -0.122 0.000 0.919 262 K CB 0.575 33.248 32.500 0.288 0.000 1.045 262 K HN 0.366 nan 8.250 nan 0.000 0.471 263 H N -0.228 118.951 119.070 0.182 0.000 2.489 263 H HA 0.526 5.082 4.556 -0.000 0.000 0.343 263 H C -0.935 174.440 175.328 0.077 0.000 1.086 263 H CA -0.933 55.174 56.048 0.098 0.000 1.198 263 H CB 1.773 31.543 29.762 0.014 0.000 1.490 263 H HN 0.672 nan 8.280 nan 0.000 0.504 264 A N 3.145 126.068 122.820 0.171 0.000 2.355 264 A HA 0.480 4.800 4.320 -0.000 0.000 0.317 264 A C -1.051 176.541 177.584 0.013 0.000 1.094 264 A CA -0.698 51.363 52.037 0.040 0.000 0.764 264 A CB 1.428 20.418 19.000 -0.017 0.000 1.230 264 A HN 0.465 nan 8.150 nan 0.000 0.448 265 L N 3.205 124.415 121.223 -0.022 0.000 2.287 265 L HA 0.704 5.044 4.340 -0.000 0.000 0.287 265 L C -0.796 176.020 176.870 -0.090 0.000 1.022 265 L CA -0.360 54.456 54.840 -0.040 0.000 0.814 265 L CB 0.780 42.828 42.059 -0.019 0.000 1.217 265 L HN 0.651 nan 8.230 nan 0.000 0.420 266 I N 5.307 125.779 120.570 -0.163 0.000 2.404 266 I HA 0.484 4.654 4.170 -0.000 0.000 0.293 266 I C -1.202 174.640 176.117 -0.458 0.000 0.992 266 I CA -0.698 60.407 61.300 -0.326 0.000 1.149 266 I CB 1.450 39.177 38.000 -0.455 0.000 1.315 266 I HN 0.571 nan 8.210 nan 0.000 0.446 267 I N 8.223 128.510 120.570 -0.472 0.000 2.355 267 I HA 0.250 4.420 4.170 -0.000 0.000 0.288 267 I C -1.066 174.690 176.117 -0.602 0.000 0.999 267 I CA -0.190 60.836 61.300 -0.456 0.000 1.163 267 I CB 1.112 38.925 38.000 -0.312 0.000 1.316 267 I HN 0.311 nan 8.210 nan 0.000 0.454 268 Y N 4.145 124.275 120.300 -0.284 0.000 2.595 268 Y HA 0.254 4.804 4.550 -0.000 0.000 0.336 268 Y C 0.570 176.294 175.900 -0.293 0.000 0.996 268 Y CA -0.762 57.164 58.100 -0.289 0.000 1.260 268 Y CB 0.440 38.743 38.460 -0.261 0.000 1.108 268 Y HN 0.444 nan 8.280 nan 0.000 0.509 269 D N 5.494 125.745 120.400 -0.248 0.000 2.349 269 D HA 0.006 4.646 4.640 -0.000 0.000 0.266 269 D C -0.483 175.777 176.300 -0.067 0.000 1.293 269 D CA 0.329 54.222 54.000 -0.178 0.000 0.926 269 D CB -0.048 40.635 40.800 -0.196 0.000 1.090 269 D HN 0.817 nan 8.370 nan 0.000 0.502 270 D N 1.740 122.108 120.400 -0.052 0.000 4.867 270 D HA -0.225 4.415 4.640 -0.000 0.000 0.238 270 D C 0.647 176.913 176.300 -0.055 0.000 1.114 270 D CA 0.193 54.169 54.000 -0.039 0.000 1.283 270 D CB -0.920 39.881 40.800 0.003 0.000 0.739 270 D HN 0.410 nan 8.370 nan 0.000 0.371 271 L N 1.284 122.428 121.223 -0.131 0.000 2.418 271 L HA -0.055 4.285 4.340 -0.000 0.000 0.218 271 L C 2.305 179.158 176.870 -0.028 0.000 1.125 271 L CA 0.724 55.435 54.840 -0.214 0.000 0.835 271 L CB -0.343 41.338 42.059 -0.629 0.000 0.953 271 L HN 0.480 nan 8.230 nan 0.000 0.454 272 S N 0.406 116.104 115.700 -0.002 0.000 2.359 272 S HA -0.202 4.268 4.470 -0.000 0.000 0.224 272 S C 1.971 176.649 174.600 0.130 0.000 1.035 272 S CA 1.446 59.695 58.200 0.081 0.000 1.018 272 S CB -0.083 63.154 63.200 0.061 0.000 0.876 272 S HN 0.390 nan 8.310 nan 0.000 0.448 273 K N 0.916 121.369 120.400 0.088 0.000 2.057 273 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 273 K C 2.512 179.185 176.600 0.121 0.000 1.050 273 K CA 1.154 57.499 56.287 0.095 0.000 0.935 273 K CB -0.210 32.329 32.500 0.066 0.000 0.715 273 K HN 0.411 nan 8.250 nan 0.000 0.439 274 Q N 0.908 120.779 119.800 0.119 0.000 2.030 274 Q HA -0.224 4.116 4.340 -0.000 0.000 0.204 274 Q C 2.069 178.213 176.000 0.241 0.000 0.986 274 Q CA 1.861 57.763 55.803 0.165 0.000 0.843 274 Q CB -0.207 28.612 28.738 0.136 0.000 0.904 274 Q HN 0.310 nan 8.270 nan 0.000 0.420 275 A N 0.279 123.270 122.820 0.286 0.000 1.892 275 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 275 A C 2.284 180.090 177.584 0.369 0.000 1.188 275 A CA 1.875 54.126 52.037 0.357 0.000 0.631 275 A CB -1.094 18.135 19.000 0.382 0.000 0.822 275 A HN 0.349 nan 8.150 nan 0.000 0.447 276 V N -0.306 119.768 119.914 0.267 0.000 2.324 276 V HA -0.313 3.807 4.120 -0.000 0.000 0.250 276 V C 3.023 179.149 176.094 0.053 0.000 1.060 276 V CA 2.176 64.535 62.300 0.099 0.000 1.042 276 V CB -1.214 30.660 31.823 0.086 0.000 0.650 276 V HN 0.670 nan 8.190 nan 0.000 0.450 277 A N -1.274 121.611 122.820 0.108 0.000 1.873 277 A HA -0.238 4.082 4.320 -0.000 0.000 0.215 277 A C 2.143 179.766 177.584 0.065 0.000 1.186 277 A CA 1.851 53.937 52.037 0.083 0.000 0.616 277 A CB -0.779 18.295 19.000 0.123 0.000 0.823 277 A HN 0.579 nan 8.150 nan 0.000 0.442 278 Y N 0.631 120.919 120.300 -0.020 0.000 2.114 278 Y HA -0.276 4.274 4.550 -0.000 0.000 0.282 278 Y C 2.567 178.407 175.900 -0.100 0.000 1.165 278 Y CA 2.315 60.337 58.100 -0.130 0.000 1.148 278 Y CB -0.402 38.003 38.460 -0.092 0.000 0.972 278 Y HN 0.356 nan 8.280 nan 0.000 0.504 279 R N 0.228 120.715 120.500 -0.022 0.000 2.096 279 R HA -0.283 4.057 4.340 -0.000 0.000 0.240 279 R C 2.443 178.629 176.300 -0.190 0.000 1.139 279 R CA 2.133 58.137 56.100 -0.159 0.000 0.952 279 R CB -0.573 29.521 30.300 -0.343 0.000 0.854 279 R HN 0.558 nan 8.270 nan 0.000 0.436 280 Q N 0.109 119.822 119.800 -0.144 0.000 2.112 280 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 280 Q C 2.136 178.057 176.000 -0.131 0.000 0.987 280 Q CA 2.356 58.090 55.803 -0.115 0.000 0.858 280 Q CB -0.055 28.640 28.738 -0.071 0.000 0.905 280 Q HN 0.474 nan 8.270 nan 0.000 0.420 281 M N -0.489 119.004 119.600 -0.177 0.000 2.099 281 M HA -0.140 4.340 4.480 -0.000 0.000 0.262 281 M C 2.361 178.524 176.300 -0.229 0.000 1.067 281 M CA 1.400 56.586 55.300 -0.190 0.000 1.124 281 M CB -0.090 32.363 32.600 -0.244 0.000 1.353 281 M HN 0.103 nan 8.290 nan 0.000 0.410 282 S N 1.261 116.754 115.700 -0.345 0.000 2.359 282 S HA -0.135 4.335 4.470 -0.000 0.000 0.223 282 S C 1.884 176.392 174.600 -0.153 0.000 1.039 282 S CA 1.383 59.406 58.200 -0.294 0.000 1.042 282 S CB -0.640 62.363 63.200 -0.327 0.000 0.915 282 S HN 0.403 nan 8.310 nan 0.000 0.439 283 L N 0.728 121.873 121.223 -0.130 0.000 2.201 283 L HA 0.010 4.350 4.340 -0.000 0.000 0.212 283 L C 2.085 178.915 176.870 -0.067 0.000 1.105 283 L CA 0.696 55.486 54.840 -0.083 0.000 0.775 283 L CB -0.449 41.562 42.059 -0.081 0.000 0.913 283 L HN 0.265 nan 8.230 nan 0.000 0.440 284 L N -0.787 120.391 121.223 -0.075 0.000 2.313 284 L HA -0.107 4.233 4.340 -0.000 0.000 0.214 284 L C 2.145 178.991 176.870 -0.040 0.000 1.119 284 L CA 0.645 55.455 54.840 -0.051 0.000 0.809 284 L CB -0.052 41.978 42.059 -0.048 0.000 0.933 284 L HN 0.272 nan 8.230 nan 0.000 0.449 285 L N -0.989 120.203 121.223 -0.053 0.000 2.446 285 L HA 0.053 4.393 4.340 -0.000 0.000 0.219 285 L C 0.735 177.588 176.870 -0.028 0.000 1.116 285 L CA 0.205 55.024 54.840 -0.035 0.000 0.844 285 L CB 0.060 42.090 42.059 -0.047 0.000 0.970 285 L HN 0.224 nan 8.230 nan 0.000 0.457 286 R N -0.325 120.153 120.500 -0.036 0.000 3.644 286 R HA -0.109 4.231 4.340 -0.000 0.000 0.308 286 R C 0.321 176.610 176.300 -0.020 0.000 1.161 286 R CA 0.130 56.215 56.100 -0.024 0.000 0.819 286 R CB -1.473 28.819 30.300 -0.013 0.000 1.363 286 R HN 0.310 nan 8.270 nan 0.000 0.479 287 R N 1.092 121.574 120.500 -0.029 0.000 3.038 287 R HA 0.170 4.510 4.340 -0.000 0.000 0.263 287 R C -1.849 174.450 176.300 -0.002 0.000 1.208 287 R CA -0.686 55.405 56.100 -0.014 0.000 1.116 287 R CB -0.055 30.230 30.300 -0.025 0.000 1.045 287 R HN -0.014 nan 8.270 nan 0.000 0.549 288 P HA 0.224 nan 4.420 nan 0.000 0.300 288 P C -2.575 174.747 177.300 0.036 0.000 1.356 288 P CA -1.602 61.511 63.100 0.022 0.000 0.823 288 P CB 1.289 33.005 31.700 0.027 0.000 0.934 289 P HA 0.305 nan 4.420 nan 0.000 0.279 289 P C 0.062 177.393 177.300 0.052 0.000 1.239 289 P CA 0.255 63.381 63.100 0.044 0.000 0.789 289 P CB 1.567 33.278 31.700 0.018 0.000 0.933 290 G N 1.874 110.725 108.800 0.085 0.000 3.257 290 G HA2 0.389 4.349 3.960 -0.000 0.000 0.205 290 G HA3 0.389 4.349 3.960 -0.000 0.000 0.205 290 G C -0.631 174.288 174.900 0.031 0.000 1.234 290 G CA -1.033 44.095 45.100 0.046 0.000 0.918 290 G HN 0.590 nan 8.290 nan 0.000 0.602 291 R N 0.447 120.893 120.500 -0.091 0.000 2.478 291 R HA -0.031 4.309 4.340 -0.000 0.000 0.281 291 R C 0.277 176.631 176.300 0.090 0.000 0.939 291 R CA 1.438 57.456 56.100 -0.137 0.000 1.120 291 R CB -0.266 29.744 30.300 -0.483 0.000 0.885 291 R HN 0.729 nan 8.270 nan 0.000 0.415 292 E N 2.264 122.545 120.200 0.136 0.000 2.805 292 E HA -0.354 3.996 4.350 -0.000 0.000 0.266 292 E C 0.382 177.115 176.600 0.222 0.000 1.092 292 E CA 0.566 57.123 56.400 0.261 0.000 0.781 292 E CB -1.195 28.803 29.700 0.496 0.000 1.379 292 E HN 0.885 nan 8.360 nan 0.000 0.433 293 A N -2.298 120.605 122.820 0.138 0.000 3.153 293 A HA -0.304 4.015 4.320 -0.000 0.000 0.265 293 A C 0.082 177.711 177.584 0.076 0.000 1.212 293 A CA 1.807 53.879 52.037 0.059 0.000 1.018 293 A CB -2.062 16.924 19.000 -0.024 0.000 1.130 293 A HN 0.427 nan 8.150 nan 0.000 0.873 294 Y N 0.846 121.236 120.300 0.149 0.000 2.336 294 Y HA 0.426 4.976 4.550 -0.000 0.000 0.331 294 Y C -1.227 174.785 175.900 0.186 0.000 1.211 294 Y CA -1.122 57.095 58.100 0.194 0.000 1.346 294 Y CB 0.370 39.021 38.460 0.318 0.000 1.271 294 Y HN 0.240 nan 8.280 nan 0.000 0.538 295 P HA -0.008 nan 4.420 nan 0.000 0.272 295 P C 0.538 178.018 177.300 0.299 0.000 1.230 295 P CA 0.144 63.389 63.100 0.242 0.000 0.788 295 P CB 0.824 32.637 31.700 0.188 0.000 0.949 296 G N 1.337 110.271 108.800 0.223 0.000 2.470 296 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.220 296 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.220 296 G C 0.792 175.840 174.900 0.246 0.000 1.121 296 G CA 0.567 45.796 45.100 0.215 0.000 0.766 296 G HN 0.667 nan 8.290 nan 0.000 0.553 297 D N 0.344 120.911 120.400 0.277 0.000 2.388 297 D HA 0.058 4.698 4.640 -0.000 0.000 0.221 297 D C 1.898 178.347 176.300 0.249 0.000 1.133 297 D CA -0.235 53.953 54.000 0.313 0.000 0.831 297 D CB 0.153 41.183 40.800 0.383 0.000 0.962 297 D HN 0.112 nan 8.370 nan 0.000 0.502 298 V N 0.062 120.095 119.914 0.199 0.000 2.469 298 V HA -0.204 3.916 4.120 -0.000 0.000 0.251 298 V C 1.835 177.801 176.094 -0.213 0.000 1.064 298 V CA 1.449 63.726 62.300 -0.038 0.000 1.066 298 V CB -0.843 30.974 31.823 -0.010 0.000 0.667 298 V HN 0.236 nan 8.190 nan 0.000 0.461 299 F N 0.082 119.948 119.950 -0.139 0.000 2.146 299 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 299 F C 2.099 177.894 175.800 -0.009 0.000 1.096 299 F CA 2.116 60.050 58.000 -0.111 0.000 1.275 299 F CB -0.556 38.438 39.000 -0.009 0.000 1.008 299 F HN 0.389 nan 8.300 nan 0.000 0.480 300 Y N 0.469 120.787 120.300 0.030 0.000 2.497 300 Y HA -0.100 4.450 4.550 -0.000 0.000 0.292 300 Y C 1.783 177.613 175.900 -0.117 0.000 1.137 300 Y CA 1.070 59.165 58.100 -0.008 0.000 1.285 300 Y CB -0.571 37.941 38.460 0.086 0.000 0.991 300 Y HN 0.243 nan 8.280 nan 0.000 0.556 301 L N -0.508 120.534 121.223 -0.302 0.000 2.068 301 L HA -0.079 4.261 4.340 -0.000 0.000 0.204 301 L C 2.080 178.790 176.870 -0.267 0.000 1.076 301 L CA 2.028 56.631 54.840 -0.396 0.000 0.753 301 L CB -0.842 40.845 42.059 -0.619 0.000 0.910 301 L HN 0.282 nan 8.230 nan 0.000 0.439 302 H N -1.458 117.389 119.070 -0.372 0.000 2.482 302 H HA 0.004 4.560 4.556 -0.000 0.000 0.286 302 H C 2.290 177.357 175.328 -0.436 0.000 1.017 302 H CA 0.732 56.523 56.048 -0.429 0.000 1.322 302 H CB 0.190 29.695 29.762 -0.429 0.000 1.426 302 H HN 0.494 nan 8.280 nan 0.000 0.546 303 S N 1.682 117.142 115.700 -0.400 0.000 2.356 303 S HA -0.225 4.245 4.470 -0.000 0.000 0.223 303 S C 2.045 176.553 174.600 -0.152 0.000 1.032 303 S CA 1.192 59.186 58.200 -0.344 0.000 1.005 303 S CB -0.318 62.645 63.200 -0.396 0.000 0.867 303 S HN 0.544 nan 8.310 nan 0.000 0.449 304 R N 0.811 121.240 120.500 -0.117 0.000 2.148 304 R HA 0.156 4.496 4.340 -0.000 0.000 0.227 304 R C 2.216 178.509 176.300 -0.011 0.000 1.103 304 R CA 1.078 57.154 56.100 -0.040 0.000 0.983 304 R CB -0.630 29.616 30.300 -0.090 0.000 0.874 304 R HN 0.450 nan 8.270 nan 0.000 0.451 305 L N 0.938 122.098 121.223 -0.105 0.000 2.127 305 L HA 0.095 4.435 4.340 -0.000 0.000 0.203 305 L C 2.051 178.784 176.870 -0.228 0.000 1.080 305 L CA 1.257 55.938 54.840 -0.265 0.000 0.768 305 L CB -0.082 41.552 42.059 -0.707 0.000 0.924 305 L HN 0.147 nan 8.230 nan 0.000 0.444 306 L N -0.691 120.395 121.223 -0.227 0.000 2.156 306 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 306 L C 2.458 179.285 176.870 -0.071 0.000 1.095 306 L CA 0.516 55.262 54.840 -0.156 0.000 0.770 306 L CB -0.574 41.377 42.059 -0.180 0.000 0.914 306 L HN 0.261 nan 8.230 nan 0.000 0.439 307 E N 0.504 120.669 120.200 -0.058 0.000 2.150 307 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 307 E C 2.144 178.742 176.600 -0.004 0.000 0.985 307 E CA 0.687 57.074 56.400 -0.022 0.000 0.814 307 E CB -0.123 29.573 29.700 -0.006 0.000 0.752 307 E HN 0.382 nan 8.360 nan 0.000 0.466 308 R N 0.677 121.181 120.500 0.005 0.000 2.276 308 R HA -0.071 4.269 4.340 -0.000 0.000 0.243 308 R C 0.855 177.179 176.300 0.040 0.000 1.161 308 R CA 0.698 56.818 56.100 0.033 0.000 1.007 308 R CB -0.263 30.072 30.300 0.058 0.000 0.867 308 R HN -0.025 nan 8.270 nan 0.000 0.472 309 A N 0.729 123.567 122.820 0.031 0.000 2.340 309 A HA 0.668 4.988 4.320 -0.000 0.000 0.268 309 A C -0.256 177.335 177.584 0.011 0.000 1.100 309 A CA 0.069 52.126 52.037 0.032 0.000 0.803 309 A CB 0.872 19.890 19.000 0.030 0.000 1.043 309 A HN 0.273 nan 8.150 nan 0.000 0.488 310 A N 1.256 124.084 122.820 0.012 0.000 2.590 310 A HA 0.598 4.918 4.320 -0.000 0.000 0.294 310 A C -0.973 176.610 177.584 -0.002 0.000 1.046 310 A CA -0.680 51.353 52.037 -0.007 0.000 0.684 310 A CB 0.848 19.834 19.000 -0.023 0.000 1.279 310 A HN 1.010 nan 8.150 nan 0.000 0.415 311 K N 2.701 123.089 120.400 -0.020 0.000 2.296 311 K HA 0.489 4.809 4.320 -0.000 0.000 0.257 311 K C -0.092 176.500 176.600 -0.014 0.000 1.088 311 K CA -0.365 55.911 56.287 -0.020 0.000 0.980 311 K CB -0.215 32.260 32.500 -0.042 0.000 1.430 311 K HN 0.629 nan 8.250 nan 0.000 0.441 312 M N 2.431 122.038 119.600 0.012 0.000 2.245 312 M HA 0.019 4.499 4.480 -0.000 0.000 0.312 312 M C 0.454 176.781 176.300 0.045 0.000 1.070 312 M CA 0.036 55.338 55.300 0.003 0.000 1.162 312 M CB -0.350 32.287 32.600 0.061 0.000 1.448 312 M HN 0.688 nan 8.290 nan 0.000 0.446 313 N N 0.460 119.196 118.700 0.059 0.000 2.530 313 N HA 0.113 4.853 4.740 -0.000 0.000 0.277 313 N C -0.268 175.346 175.510 0.173 0.000 1.168 313 N CA -0.338 52.781 53.050 0.115 0.000 0.979 313 N CB 0.333 38.900 38.487 0.133 0.000 1.141 313 N HN 0.438 nan 8.380 nan 0.000 0.459 314 D N 0.732 121.200 120.400 0.114 0.000 2.280 314 D HA -0.215 4.425 4.640 -0.000 0.000 0.206 314 D C 1.527 177.880 176.300 0.089 0.000 0.988 314 D CA 1.945 55.999 54.000 0.090 0.000 0.886 314 D CB -0.189 40.645 40.800 0.057 0.000 0.914 314 D HN 0.724 nan 8.370 nan 0.000 0.473 315 A N -0.059 122.838 122.820 0.128 0.000 1.929 315 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 315 A C 1.463 179.028 177.584 -0.032 0.000 1.176 315 A CA 0.685 52.753 52.037 0.052 0.000 0.628 315 A CB -0.559 18.491 19.000 0.083 0.000 0.816 315 A HN 0.198 nan 8.150 nan 0.000 0.444 316 F N -0.727 119.225 119.950 0.005 0.000 2.773 316 F HA 0.350 4.877 4.527 -0.000 0.000 0.304 316 F C 1.867 177.665 175.800 -0.003 0.000 1.129 316 F CA 0.665 58.666 58.000 0.002 0.000 1.378 316 F CB 0.295 39.300 39.000 0.008 0.000 1.095 316 F HN 0.388 nan 8.300 nan 0.000 0.565 317 G N -0.922 107.949 108.800 0.118 0.000 2.352 317 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.204 317 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.204 317 G C 1.221 176.171 174.900 0.083 0.000 1.004 317 G CA -0.157 44.981 45.100 0.064 0.000 0.648 317 G HN 0.937 nan 8.290 nan 0.000 0.491 318 G N -0.298 108.582 108.800 0.133 0.000 2.175 318 G HA2 0.246 4.206 3.960 -0.000 0.000 0.244 318 G HA3 0.246 4.206 3.960 -0.000 0.000 0.244 318 G C 1.348 176.404 174.900 0.260 0.000 0.982 318 G CA 1.008 46.203 45.100 0.159 0.000 0.641 318 G HN 2.071 nan 8.290 nan 0.000 0.527 319 G N -0.104 108.810 108.800 0.191 0.000 2.569 319 G HA2 0.664 4.624 3.960 -0.000 0.000 0.249 319 G HA3 0.664 4.624 3.960 -0.000 0.000 0.249 319 G C 0.306 175.383 174.900 0.296 0.000 1.216 319 G CA 1.059 46.303 45.100 0.240 0.000 0.845 319 G HN 1.775 nan 8.290 nan 0.000 0.568 320 S N -0.662 115.278 115.700 0.401 0.000 2.564 320 S HA 0.600 5.070 4.470 -0.000 0.000 0.274 320 S C -1.325 173.371 174.600 0.160 0.000 1.124 320 S CA -0.863 57.452 58.200 0.192 0.000 0.869 320 S CB 2.002 65.235 63.200 0.056 0.000 1.105 320 S HN 1.057 nan 8.310 nan 0.000 0.472 321 L N 2.260 123.538 121.223 0.092 0.000 2.388 321 L HA 0.605 4.945 4.340 -0.000 0.000 0.267 321 L C -0.617 176.273 176.870 0.033 0.000 0.995 321 L CA 0.189 55.075 54.840 0.075 0.000 0.864 321 L CB 1.166 43.276 42.059 0.084 0.000 1.216 321 L HN 0.886 nan 8.230 nan 0.000 0.430 322 T N 3.965 118.525 114.554 0.011 0.000 2.845 322 T HA 0.802 5.151 4.350 -0.000 0.000 0.288 322 T C 0.011 174.694 174.700 -0.029 0.000 0.980 322 T CA -0.108 61.984 62.100 -0.013 0.000 1.071 322 T CB 1.305 70.158 68.868 -0.026 0.000 0.941 322 T HN 0.769 nan 8.240 nan 0.000 0.487 323 A N 3.210 126.020 122.820 -0.015 0.000 2.340 323 A HA 0.806 5.126 4.320 -0.000 0.000 0.331 323 A C -0.617 176.953 177.584 -0.023 0.000 1.140 323 A CA -0.767 51.265 52.037 -0.009 0.000 0.801 323 A CB 0.796 19.866 19.000 0.117 0.000 1.234 323 A HN 0.848 nan 8.150 nan 0.000 0.469 324 L N 3.794 124.986 121.223 -0.051 0.000 2.481 324 L HA 0.318 4.658 4.340 -0.000 0.000 0.255 324 L C -2.531 174.323 176.870 -0.027 0.000 1.192 324 L CA -1.437 53.371 54.840 -0.052 0.000 0.924 324 L CB 1.842 43.856 42.059 -0.075 0.000 1.179 324 L HN 0.537 nan 8.230 nan 0.000 0.491 325 P HA 0.288 nan 4.420 nan 0.000 0.279 325 P C -0.677 176.583 177.300 -0.068 0.000 1.252 325 P CA -0.329 62.779 63.100 0.013 0.000 0.811 325 P CB 2.476 34.124 31.700 -0.086 0.000 1.035 326 V N 2.717 122.583 119.914 -0.079 0.000 2.555 326 V HA 0.412 4.532 4.120 -0.000 0.000 0.302 326 V C 0.224 176.273 176.094 -0.074 0.000 1.038 326 V CA -0.647 61.611 62.300 -0.069 0.000 0.887 326 V CB 1.779 33.574 31.823 -0.046 0.000 0.991 326 V HN 0.398 nan 8.190 nan 0.000 0.434 327 I N 3.196 123.731 120.570 -0.058 0.000 2.447 327 I HA 0.398 4.568 4.170 -0.000 0.000 0.287 327 I C 0.014 176.133 176.117 0.003 0.000 1.023 327 I CA -0.339 60.937 61.300 -0.040 0.000 1.083 327 I CB 1.911 39.880 38.000 -0.053 0.000 1.245 327 I HN 0.785 nan 8.210 nan 0.000 0.434 328 E N 5.702 125.916 120.200 0.024 0.000 2.089 328 E HA 0.311 4.661 4.350 -0.000 0.000 0.284 328 E C -0.359 176.277 176.600 0.060 0.000 1.023 328 E CA -0.323 56.105 56.400 0.047 0.000 0.819 328 E CB 0.957 30.689 29.700 0.053 0.000 1.076 328 E HN 0.698 nan 8.360 nan 0.000 0.396 329 T N 2.018 116.615 114.554 0.072 0.000 2.902 329 T HA 0.319 4.669 4.350 -0.000 0.000 0.280 329 T C -0.070 174.677 174.700 0.078 0.000 0.992 329 T CA -1.016 61.133 62.100 0.081 0.000 1.015 329 T CB 1.486 70.413 68.868 0.100 0.000 1.044 329 T HN 0.312 nan 8.240 nan 0.000 0.520 330 Q N 0.295 120.141 119.800 0.077 0.000 2.322 330 Q HA 0.578 4.917 4.340 -0.000 0.000 0.265 330 Q C 0.647 176.685 176.000 0.062 0.000 0.985 330 Q CA -0.219 55.625 55.803 0.068 0.000 0.849 330 Q CB 1.119 29.899 28.738 0.070 0.000 1.274 330 Q HN 1.211 nan 8.270 nan 0.000 0.449 331 A N 2.136 124.989 122.820 0.056 0.000 2.774 331 A HA -0.197 4.122 4.320 -0.000 0.000 0.290 331 A C 1.241 178.855 177.584 0.050 0.000 1.484 331 A CA 1.867 53.933 52.037 0.048 0.000 0.863 331 A CB -2.055 16.969 19.000 0.040 0.000 0.989 331 A HN 1.695 nan 8.150 nan 0.000 0.554 332 G N -1.534 107.304 108.800 0.064 0.000 2.184 332 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.264 332 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.264 332 G C -0.031 174.908 174.900 0.066 0.000 0.975 332 G CA 0.967 46.107 45.100 0.068 0.000 0.642 332 G HN 1.511 nan 8.290 nan 0.000 0.536 333 D N 0.871 121.310 120.400 0.064 0.000 2.349 333 D HA 0.310 4.949 4.640 -0.000 0.000 0.266 333 D C 1.843 178.193 176.300 0.084 0.000 1.293 333 D CA 0.563 54.601 54.000 0.064 0.000 0.926 333 D CB 0.876 41.713 40.800 0.061 0.000 1.090 333 D HN 0.659 nan 8.370 nan 0.000 0.502 334 V N 1.374 121.342 119.914 0.091 0.000 3.354 334 V HA 0.069 4.189 4.120 -0.000 0.000 0.258 334 V C 1.565 177.721 176.094 0.103 0.000 1.159 334 V CA 0.259 62.632 62.300 0.122 0.000 1.125 334 V CB -0.082 31.853 31.823 0.187 0.000 0.774 334 V HN 0.308 nan 8.190 nan 0.000 0.464 335 S N 1.470 117.219 115.700 0.082 0.000 2.786 335 S HA 0.556 5.026 4.470 -0.000 0.000 0.223 335 S C 0.940 175.593 174.600 0.088 0.000 0.956 335 S CA 0.490 58.735 58.200 0.076 0.000 0.961 335 S CB -0.551 62.682 63.200 0.054 0.000 0.784 335 S HN 0.865 nan 8.310 nan 0.000 0.519 336 A N 0.059 122.939 122.820 0.100 0.000 2.302 336 A HA 0.532 4.852 4.320 -0.000 0.000 0.285 336 A C 0.702 178.387 177.584 0.167 0.000 1.105 336 A CA -0.623 51.487 52.037 0.121 0.000 0.816 336 A CB 0.130 19.196 19.000 0.110 0.000 1.067 336 A HN 0.445 nan 8.150 nan 0.000 0.489 337 Y N 1.303 121.606 120.300 0.004 0.000 1.967 337 Y HA -0.360 4.190 4.550 -0.000 0.000 0.260 337 Y C 1.772 177.635 175.900 -0.062 0.000 1.181 337 Y CA 2.403 60.480 58.100 -0.038 0.000 1.097 337 Y CB -0.158 38.250 38.460 -0.086 0.000 0.934 337 Y HN 0.614 nan 8.280 nan 0.000 0.492 338 I N -0.086 120.358 120.570 -0.210 0.000 2.252 338 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 338 I C -0.976 175.091 176.117 -0.083 0.000 1.102 338 I CA 1.196 62.323 61.300 -0.288 0.000 1.385 338 I CB -1.827 36.014 38.000 -0.264 0.000 1.064 338 I HN 0.170 nan 8.210 nan 0.000 0.414 339 P HA -0.144 nan 4.420 nan 0.000 0.215 339 P C 1.815 179.141 177.300 0.043 0.000 1.157 339 P CA 1.816 64.930 63.100 0.024 0.000 0.868 339 P CB -0.143 31.594 31.700 0.063 0.000 0.788 340 T N -0.615 113.984 114.554 0.074 0.000 2.570 340 T HA -0.229 4.121 4.350 -0.000 0.000 0.266 340 T C 1.585 176.350 174.700 0.108 0.000 1.071 340 T CA 1.997 64.158 62.100 0.102 0.000 1.172 340 T CB -1.257 67.695 68.868 0.140 0.000 0.864 340 T HN 0.105 nan 8.240 nan 0.000 0.421 341 N N 0.675 119.438 118.700 0.106 0.000 2.051 341 N HA -0.149 4.591 4.740 -0.000 0.000 0.199 341 N C 1.917 177.507 175.510 0.133 0.000 1.045 341 N CA 1.642 54.811 53.050 0.197 0.000 0.884 341 N CB -1.207 37.305 38.487 0.042 0.000 1.082 341 N HN 0.170 nan 8.380 nan 0.000 0.495 342 V N 1.558 121.482 119.914 0.016 0.000 2.250 342 V HA -0.275 3.845 4.120 -0.000 0.000 0.250 342 V C 2.310 178.388 176.094 -0.026 0.000 1.060 342 V CA 1.739 64.005 62.300 -0.057 0.000 1.030 342 V CB -0.662 31.084 31.823 -0.128 0.000 0.643 342 V HN 0.344 nan 8.190 nan 0.000 0.445 343 I N 0.870 121.439 120.570 -0.002 0.000 2.143 343 I HA -0.374 3.796 4.170 -0.000 0.000 0.245 343 I C 2.735 178.870 176.117 0.030 0.000 1.068 343 I CA 2.328 63.630 61.300 0.004 0.000 1.326 343 I CB -0.554 37.474 38.000 0.047 0.000 1.028 343 I HN 0.606 nan 8.210 nan 0.000 0.412 344 S N 1.304 117.052 115.700 0.081 0.000 2.338 344 S HA -0.170 4.299 4.470 -0.000 0.000 0.218 344 S C 2.035 176.691 174.600 0.093 0.000 1.032 344 S CA 1.198 59.462 58.200 0.107 0.000 0.999 344 S CB -0.961 62.342 63.200 0.172 0.000 0.905 344 S HN 0.423 nan 8.310 nan 0.000 0.439 345 I N 2.603 123.232 120.570 0.097 0.000 2.229 345 I HA -0.176 3.994 4.170 -0.000 0.000 0.250 345 I C 1.768 177.871 176.117 -0.023 0.000 1.096 345 I CA 1.355 62.661 61.300 0.010 0.000 1.358 345 I CB -1.432 36.486 38.000 -0.138 0.000 1.047 345 I HN 0.577 nan 8.210 nan 0.000 0.422 346 T N -2.354 112.178 114.554 -0.036 0.000 2.824 346 T HA 0.123 4.473 4.350 -0.000 0.000 0.277 346 T C 0.631 175.315 174.700 -0.027 0.000 0.975 346 T CA -0.627 61.445 62.100 -0.046 0.000 0.966 346 T CB 1.174 69.998 68.868 -0.072 0.000 1.054 346 T HN 0.051 nan 8.240 nan 0.000 0.533 347 D N -0.189 120.191 120.400 -0.033 0.000 2.350 347 D HA 0.301 4.941 4.640 -0.000 0.000 0.213 347 D C 0.991 177.274 176.300 -0.028 0.000 1.031 347 D CA 0.459 54.445 54.000 -0.024 0.000 0.861 347 D CB 0.301 41.087 40.800 -0.023 0.000 0.926 347 D HN 0.851 nan 8.370 nan 0.000 0.520 348 G N -0.217 108.554 108.800 -0.049 0.000 2.430 348 G HA2 0.437 4.397 3.960 -0.000 0.000 0.300 348 G HA3 0.437 4.397 3.960 -0.000 0.000 0.300 348 G C -1.931 172.895 174.900 -0.124 0.000 1.330 348 G CA -0.695 44.369 45.100 -0.061 0.000 0.813 348 G HN -0.072 nan 8.290 nan 0.000 0.487 349 Q N -0.832 118.869 119.800 -0.166 0.000 2.309 349 Q HA 0.620 4.960 4.340 -0.000 0.000 0.273 349 Q C -0.898 174.915 176.000 -0.312 0.000 1.040 349 Q CA -0.350 55.241 55.803 -0.354 0.000 0.834 349 Q CB 2.874 31.186 28.738 -0.710 0.000 1.345 349 Q HN 0.532 nan 8.270 nan 0.000 0.414 350 I N 3.042 123.434 120.570 -0.298 0.000 2.428 350 I HA 0.344 4.514 4.170 -0.000 0.000 0.279 350 I C -0.886 175.149 176.117 -0.137 0.000 1.040 350 I CA -0.494 60.724 61.300 -0.137 0.000 1.171 350 I CB 0.430 38.385 38.000 -0.076 0.000 1.312 350 I HN 0.505 nan 8.210 nan 0.000 0.470 351 F N 6.381 126.334 119.950 0.004 0.000 2.472 351 F HA 0.322 4.849 4.527 -0.000 0.000 0.364 351 F C 0.397 176.204 175.800 0.012 0.000 1.090 351 F CA -0.155 57.851 58.000 0.010 0.000 1.188 351 F CB 0.544 39.552 39.000 0.013 0.000 1.105 351 F HN 0.189 nan 8.300 nan 0.000 0.536 352 L N 3.695 125.036 121.223 0.198 0.000 2.344 352 L HA 0.628 4.968 4.340 -0.000 0.000 0.272 352 L C -0.561 176.394 176.870 0.142 0.000 1.035 352 L CA -0.771 54.146 54.840 0.128 0.000 0.807 352 L CB 1.833 43.945 42.059 0.087 0.000 1.237 352 L HN 0.578 nan 8.230 nan 0.000 0.442 353 E N -0.043 120.233 120.200 0.125 0.000 2.335 353 E HA 0.185 4.535 4.350 -0.000 0.000 0.280 353 E C -0.345 176.359 176.600 0.173 0.000 0.918 353 E CA -0.428 56.051 56.400 0.132 0.000 0.765 353 E CB 2.362 32.122 29.700 0.100 0.000 1.218 353 E HN 0.537 nan 8.360 nan 0.000 0.425 354 T N 1.041 115.706 114.554 0.186 0.000 2.684 354 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 354 T C 1.515 176.379 174.700 0.273 0.000 1.036 354 T CA 1.735 63.981 62.100 0.243 0.000 1.148 354 T CB -0.014 68.985 68.868 0.218 0.000 0.863 354 T HN 0.524 nan 8.240 nan 0.000 0.436 355 E N 0.533 120.848 120.200 0.193 0.000 2.049 355 E HA -0.131 4.219 4.350 -0.000 0.000 0.198 355 E C 2.152 178.855 176.600 0.171 0.000 1.007 355 E CA 1.031 57.534 56.400 0.171 0.000 0.809 355 E CB -0.245 29.518 29.700 0.106 0.000 0.749 355 E HN 0.423 nan 8.360 nan 0.000 0.450 356 L N 0.154 121.458 121.223 0.136 0.000 2.187 356 L HA -0.160 4.180 4.340 -0.000 0.000 0.213 356 L C 2.225 179.162 176.870 0.112 0.000 1.100 356 L CA 0.780 55.680 54.840 0.100 0.000 0.765 356 L CB -0.399 41.697 42.059 0.062 0.000 0.904 356 L HN 0.254 nan 8.230 nan 0.000 0.437 357 F N 0.103 120.031 119.950 -0.037 0.000 1.990 357 F HA -0.303 4.224 4.527 -0.000 0.000 0.293 357 F C 2.312 177.993 175.800 -0.198 0.000 1.216 357 F CA 1.255 59.151 58.000 -0.174 0.000 1.155 357 F CB -0.426 38.378 39.000 -0.326 0.000 0.979 357 F HN -0.159 nan 8.300 nan 0.000 0.487 358 Y N 0.860 121.422 120.300 0.438 0.000 2.516 358 Y HA -0.265 4.285 4.550 -0.000 0.000 0.284 358 Y C 2.129 178.130 175.900 0.168 0.000 1.166 358 Y CA 1.335 59.566 58.100 0.219 0.000 1.350 358 Y CB -0.656 37.830 38.460 0.043 0.000 0.967 358 Y HN 0.159 nan 8.280 nan 0.000 0.568 359 K N -1.176 119.366 120.400 0.236 0.000 2.116 359 K HA 0.047 4.367 4.320 -0.000 0.000 0.203 359 K C 1.860 178.530 176.600 0.116 0.000 1.052 359 K CA 1.103 57.483 56.287 0.155 0.000 0.952 359 K CB -0.090 32.483 32.500 0.120 0.000 0.729 359 K HN 0.431 nan 8.250 nan 0.000 0.446 360 G N 0.126 108.983 108.800 0.094 0.000 2.624 360 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.190 360 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.190 360 G C 0.015 174.896 174.900 -0.032 0.000 1.008 360 G CA -0.497 44.627 45.100 0.040 0.000 0.731 360 G HN 0.045 nan 8.290 nan 0.000 0.478 361 I N 2.756 123.309 120.570 -0.027 0.000 2.577 361 I HA 0.283 4.453 4.170 -0.000 0.000 0.299 361 I C 0.564 176.577 176.117 -0.173 0.000 1.157 361 I CA 0.682 61.944 61.300 -0.063 0.000 1.418 361 I CB -1.012 36.978 38.000 -0.017 0.000 1.467 361 I HN 0.170 nan 8.210 nan 0.000 0.624 362 R N 7.561 127.934 120.500 -0.211 0.000 2.561 362 R HA 0.446 4.786 4.340 -0.000 0.000 0.297 362 R C -2.458 173.718 176.300 -0.208 0.000 0.969 362 R CA -1.671 54.230 56.100 -0.331 0.000 0.879 362 R CB 2.577 32.615 30.300 -0.437 0.000 1.178 362 R HN 0.294 nan 8.270 nan 0.000 0.445 363 P HA -0.029 nan 4.420 nan 0.000 0.269 363 P C -0.646 176.534 177.300 -0.200 0.000 1.217 363 P CA -0.145 62.821 63.100 -0.223 0.000 0.783 363 P CB 0.730 32.346 31.700 -0.139 0.000 0.898 364 A N 3.442 126.139 122.820 -0.204 0.000 3.126 364 A HA 0.354 4.674 4.320 -0.000 0.000 0.268 364 A C 0.467 178.041 177.584 -0.016 0.000 1.605 364 A CA -0.475 51.498 52.037 -0.107 0.000 1.305 364 A CB -1.275 17.679 19.000 -0.076 0.000 1.160 364 A HN 0.432 nan 8.150 nan 0.000 0.609 365 I N 1.230 121.793 120.570 -0.011 0.000 2.359 365 I HA 0.156 4.326 4.170 -0.000 0.000 0.294 365 I C 0.236 176.385 176.117 0.053 0.000 0.987 365 I CA -0.601 60.719 61.300 0.033 0.000 1.225 365 I CB 1.426 39.436 38.000 0.017 0.000 1.366 365 I HN 0.426 nan 8.210 nan 0.000 0.466 366 N N 6.172 124.929 118.700 0.095 0.000 2.719 366 N HA 0.080 4.819 4.740 -0.000 0.000 0.243 366 N C 0.899 176.460 175.510 0.086 0.000 1.104 366 N CA -0.057 53.040 53.050 0.079 0.000 0.981 366 N CB 1.168 39.693 38.487 0.063 0.000 1.290 366 N HN 0.432 nan 8.380 nan 0.000 0.513 367 V N 2.820 122.771 119.914 0.061 0.000 2.527 367 V HA -0.241 3.879 4.120 -0.000 0.000 0.255 367 V C 2.243 178.369 176.094 0.054 0.000 1.081 367 V CA 2.324 64.657 62.300 0.055 0.000 1.092 367 V CB -0.700 31.149 31.823 0.043 0.000 0.673 367 V HN 0.689 nan 8.190 nan 0.000 0.470 368 G N -0.991 107.832 108.800 0.038 0.000 2.453 368 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.215 368 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.215 368 G C 1.467 176.380 174.900 0.022 0.000 1.147 368 G CA 0.381 45.492 45.100 0.018 0.000 0.802 368 G HN 0.488 nan 8.290 nan 0.000 0.535 369 L N 0.569 121.807 121.223 0.025 0.000 2.298 369 L HA 0.193 4.533 4.340 -0.000 0.000 0.209 369 L C 1.132 178.242 176.870 0.399 0.000 1.084 369 L CA -0.031 54.808 54.840 -0.002 0.000 0.816 369 L CB -0.133 41.696 42.059 -0.383 0.000 0.967 369 L HN -0.002 nan 8.230 nan 0.000 0.460 370 S N 0.550 116.495 115.700 0.407 0.000 2.576 370 S HA 0.387 4.857 4.470 -0.000 0.000 0.276 370 S C -0.226 174.475 174.600 0.168 0.000 1.339 370 S CA -0.381 58.016 58.200 0.327 0.000 1.039 370 S CB 1.466 64.766 63.200 0.166 0.000 0.902 370 S HN 0.151 nan 8.310 nan 0.000 0.516 371 V N -0.105 119.863 119.914 0.090 0.000 2.882 371 V HA 0.746 4.866 4.120 -0.000 0.000 0.295 371 V C -0.649 175.451 176.094 0.010 0.000 1.273 371 V CA -0.779 61.554 62.300 0.054 0.000 0.949 371 V CB 1.536 33.404 31.823 0.076 0.000 1.071 371 V HN 0.696 nan 8.190 nan 0.000 0.432 372 S N 3.666 119.368 115.700 0.005 0.000 2.454 372 S HA 0.579 5.049 4.470 -0.000 0.000 0.306 372 S C 0.839 175.438 174.600 -0.001 0.000 1.100 372 S CA -0.731 57.463 58.200 -0.009 0.000 1.087 372 S CB 1.734 64.926 63.200 -0.014 0.000 1.019 372 S HN 0.879 nan 8.310 nan 0.000 0.480 373 R N 3.034 123.532 120.500 -0.004 0.000 2.193 373 R HA 0.042 4.382 4.340 -0.000 0.000 0.213 373 R C 1.536 177.834 176.300 -0.004 0.000 1.055 373 R CA 0.704 56.805 56.100 0.001 0.000 0.995 373 R CB -0.371 29.930 30.300 0.002 0.000 0.893 373 R HN 0.528 nan 8.270 nan 0.000 0.459 374 V N 1.000 120.908 119.914 -0.010 0.000 2.809 374 V HA -0.055 4.065 4.120 -0.000 0.000 0.256 374 V C 1.744 177.831 176.094 -0.012 0.000 1.080 374 V CA 1.189 63.481 62.300 -0.014 0.000 1.102 374 V CB -0.936 30.875 31.823 -0.021 0.000 0.705 374 V HN 0.598 nan 8.190 nan 0.000 0.475 375 G N 0.850 109.645 108.800 -0.009 0.000 2.582 375 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.369 375 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.369 375 G C 1.147 176.041 174.900 -0.010 0.000 1.370 375 G CA 0.812 45.908 45.100 -0.006 0.000 0.955 375 G HN 0.454 nan 8.290 nan 0.000 0.525 376 S N 0.555 116.251 115.700 -0.007 0.000 2.461 376 S HA -0.093 4.377 4.470 -0.000 0.000 0.246 376 S C 2.692 177.283 174.600 -0.014 0.000 1.007 376 S CA 1.971 60.165 58.200 -0.009 0.000 0.976 376 S CB -0.676 62.521 63.200 -0.006 0.000 0.763 376 S HN 1.488 nan 8.310 nan 0.000 0.508 377 A N 1.296 124.107 122.820 -0.016 0.000 1.917 377 A HA 0.056 4.376 4.320 -0.000 0.000 0.219 377 A C 1.754 179.320 177.584 -0.029 0.000 1.182 377 A CA 1.634 53.658 52.037 -0.021 0.000 0.633 377 A CB -0.598 18.389 19.000 -0.022 0.000 0.819 377 A HN 0.611 nan 8.150 nan 0.000 0.448 378 A N -1.124 121.677 122.820 -0.031 0.000 3.106 378 A HA 0.544 4.864 4.320 -0.000 0.000 0.306 378 A C 0.144 177.708 177.584 -0.034 0.000 1.192 378 A CA -0.095 51.917 52.037 -0.041 0.000 0.994 378 A CB -0.272 18.699 19.000 -0.047 0.000 1.107 378 A HN 0.471 nan 8.150 nan 0.000 0.585 379 Q N 1.222 121.006 119.800 -0.027 0.000 2.589 379 Q HA 0.289 4.629 4.340 -0.000 0.000 0.245 379 Q C -0.276 175.714 176.000 -0.017 0.000 0.931 379 Q CA -0.377 55.415 55.803 -0.018 0.000 0.730 379 Q CB 1.067 29.799 28.738 -0.010 0.000 1.315 379 Q HN 0.554 nan 8.270 nan 0.000 0.469 380 T N -0.284 114.257 114.554 -0.021 0.000 2.934 380 T HA -0.065 4.285 4.350 -0.000 0.000 0.321 380 T C 1.052 175.747 174.700 -0.008 0.000 1.080 380 T CA -0.063 62.026 62.100 -0.019 0.000 1.132 380 T CB 0.968 69.823 68.868 -0.022 0.000 1.039 380 T HN 0.794 nan 8.240 nan 0.000 0.543 381 R N 1.636 122.132 120.500 -0.007 0.000 2.154 381 R HA -0.195 4.145 4.340 -0.000 0.000 0.248 381 R C 2.549 178.854 176.300 0.008 0.000 1.155 381 R CA 1.604 57.704 56.100 0.001 0.000 0.979 381 R CB -1.020 29.280 30.300 -0.000 0.000 0.869 381 R HN 0.886 nan 8.270 nan 0.000 0.452 382 A N 0.490 123.314 122.820 0.007 0.000 1.948 382 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 382 A C 2.029 179.628 177.584 0.025 0.000 1.177 382 A CA 1.786 53.832 52.037 0.015 0.000 0.636 382 A CB -0.404 18.601 19.000 0.007 0.000 0.815 382 A HN 0.467 nan 8.150 nan 0.000 0.449 383 M N -0.757 118.853 119.600 0.017 0.000 2.357 383 M HA 0.147 4.627 4.480 -0.000 0.000 0.266 383 M C 1.709 178.020 176.300 0.018 0.000 1.095 383 M CA 1.434 56.747 55.300 0.020 0.000 1.156 383 M CB -0.354 32.254 32.600 0.013 0.000 1.365 383 M HN 0.298 nan 8.290 nan 0.000 0.447 384 K N -0.088 120.319 120.400 0.011 0.000 2.044 384 K HA -0.271 4.049 4.320 -0.000 0.000 0.210 384 K C 2.107 178.715 176.600 0.013 0.000 1.049 384 K CA 2.109 58.401 56.287 0.008 0.000 0.927 384 K CB -0.322 32.180 32.500 0.004 0.000 0.713 384 K HN 0.558 nan 8.250 nan 0.000 0.443 385 Q N 0.501 120.313 119.800 0.020 0.000 1.891 385 Q HA -0.193 4.147 4.340 -0.000 0.000 0.214 385 Q C 2.157 178.169 176.000 0.022 0.000 0.995 385 Q CA 2.630 58.447 55.803 0.023 0.000 0.866 385 Q CB -0.195 28.566 28.738 0.038 0.000 0.931 385 Q HN 0.259 nan 8.270 nan 0.000 0.422 386 V N -0.346 119.590 119.914 0.037 0.000 2.277 386 V HA -0.340 3.780 4.120 -0.000 0.000 0.253 386 V C 2.134 178.233 176.094 0.008 0.000 1.067 386 V CA 2.095 64.412 62.300 0.029 0.000 1.047 386 V CB -2.064 29.796 31.823 0.061 0.000 0.649 386 V HN 0.536 nan 8.190 nan 0.000 0.447 387 A N 1.669 124.496 122.820 0.011 0.000 1.908 387 A HA -0.051 4.269 4.320 -0.000 0.000 0.211 387 A C 2.604 180.186 177.584 -0.003 0.000 1.225 387 A CA 3.120 55.159 52.037 0.004 0.000 0.689 387 A CB -1.867 17.137 19.000 0.007 0.000 0.843 387 A HN 0.987 nan 8.150 nan 0.000 0.472 388 G N -1.326 107.473 108.800 -0.001 0.000 2.830 388 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.230 388 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.230 388 G C 1.575 176.468 174.900 -0.010 0.000 1.172 388 G CA 2.738 47.836 45.100 -0.004 0.000 0.764 388 G HN 0.590 nan 8.290 nan 0.000 0.640 389 T N 0.777 115.321 114.554 -0.016 0.000 2.624 389 T HA -0.305 4.045 4.350 -0.000 0.000 0.268 389 T C 2.229 176.910 174.700 -0.031 0.000 1.041 389 T CA 1.972 64.055 62.100 -0.027 0.000 1.159 389 T CB -0.317 68.528 68.868 -0.039 0.000 0.863 389 T HN 0.383 nan 8.240 nan 0.000 0.434 390 M N 1.047 120.628 119.600 -0.032 0.000 2.073 390 M HA -0.216 4.264 4.480 -0.000 0.000 0.258 390 M C 2.253 178.541 176.300 -0.020 0.000 1.070 390 M CA 2.046 57.325 55.300 -0.035 0.000 1.103 390 M CB -0.216 32.365 32.600 -0.031 0.000 1.321 390 M HN 0.156 nan 8.290 nan 0.000 0.405 391 K N 0.296 120.690 120.400 -0.010 0.000 1.981 391 K HA -0.289 4.030 4.320 -0.000 0.000 0.228 391 K C 1.836 178.437 176.600 0.001 0.000 1.050 391 K CA 2.473 58.761 56.287 0.000 0.000 1.001 391 K CB -0.860 31.641 32.500 0.002 0.000 0.738 391 K HN 0.415 nan 8.250 nan 0.000 0.447 392 L N 1.334 122.554 121.223 -0.004 0.000 2.283 392 L HA -0.248 4.092 4.340 -0.000 0.000 0.217 392 L C 1.738 178.606 176.870 -0.003 0.000 1.104 392 L CA 1.903 56.740 54.840 -0.004 0.000 0.772 392 L CB -0.210 41.843 42.059 -0.010 0.000 0.899 392 L HN 0.401 nan 8.230 nan 0.000 0.439 393 E N -1.068 119.128 120.200 -0.007 0.000 2.075 393 E HA -0.067 4.283 4.350 -0.000 0.000 0.190 393 E C 2.219 178.838 176.600 0.031 0.000 0.969 393 E CA 0.792 57.188 56.400 -0.005 0.000 0.815 393 E CB -0.189 29.489 29.700 -0.038 0.000 0.776 393 E HN 0.474 nan 8.360 nan 0.000 0.457 394 L N 1.012 122.252 121.223 0.029 0.000 2.127 394 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 394 L C 2.500 179.443 176.870 0.122 0.000 1.089 394 L CA 0.913 55.807 54.840 0.090 0.000 0.757 394 L CB -0.430 41.663 42.059 0.057 0.000 0.899 394 L HN 0.170 nan 8.230 nan 0.000 0.434 395 A N -0.365 122.487 122.820 0.054 0.000 1.841 395 A HA -0.249 4.070 4.320 -0.000 0.000 0.214 395 A C 2.152 179.741 177.584 0.009 0.000 1.195 395 A CA 1.434 53.485 52.037 0.023 0.000 0.611 395 A CB -0.552 18.452 19.000 0.007 0.000 0.835 395 A HN 0.424 nan 8.150 nan 0.000 0.443 396 Q N -1.974 117.836 119.800 0.015 0.000 2.197 396 Q HA -0.238 4.102 4.340 -0.000 0.000 0.207 396 Q C 1.921 177.923 176.000 0.002 0.000 0.984 396 Q CA 1.895 57.695 55.803 -0.003 0.000 0.869 396 Q CB -0.364 28.375 28.738 0.003 0.000 0.906 396 Q HN 0.860 nan 8.270 nan 0.000 0.426 397 Y N 0.823 121.074 120.300 -0.081 0.000 2.314 397 Y HA -0.089 4.461 4.550 -0.000 0.000 0.293 397 Y C 1.952 177.788 175.900 -0.106 0.000 1.129 397 Y CA 1.128 59.173 58.100 -0.091 0.000 1.201 397 Y CB -0.008 38.410 38.460 -0.068 0.000 0.999 397 Y HN -0.154 nan 8.280 nan 0.000 0.541 398 R N 0.322 120.704 120.500 -0.196 0.000 2.339 398 R HA -0.072 4.268 4.340 -0.000 0.000 0.199 398 R C 1.553 177.694 176.300 -0.266 0.000 1.018 398 R CA 1.017 56.952 56.100 -0.275 0.000 1.036 398 R CB 0.049 30.285 30.300 -0.107 0.000 0.899 398 R HN 0.538 nan 8.270 nan 0.000 0.473 399 E N -1.131 118.909 120.200 -0.266 0.000 2.152 399 E HA -0.033 4.317 4.350 -0.000 0.000 0.195 399 E C 1.568 177.860 176.600 -0.512 0.000 0.934 399 E CA 0.493 56.726 56.400 -0.278 0.000 0.869 399 E CB 0.428 30.013 29.700 -0.191 0.000 0.842 399 E HN 0.066 nan 8.360 nan 0.000 0.472 400 V N 1.863 121.422 119.914 -0.592 0.000 2.970 400 V HA -0.161 3.959 4.120 -0.000 0.000 0.260 400 V C 2.217 177.866 176.094 -0.741 0.000 1.100 400 V CA 1.119 62.831 62.300 -0.979 0.000 1.122 400 V CB -0.820 30.697 31.823 -0.510 0.000 0.721 400 V HN 0.271 nan 8.190 nan 0.000 0.483 401 A N 1.295 123.780 122.820 -0.558 0.000 1.900 401 A HA -0.410 3.910 4.320 -0.000 0.000 0.225 401 A C 2.514 179.983 177.584 -0.192 0.000 1.414 401 A CA 3.364 55.129 52.037 -0.454 0.000 0.702 401 A CB -1.371 17.342 19.000 -0.478 0.000 0.845 401 A HN 0.732 nan 8.150 nan 0.000 0.478 402 A N -1.026 121.725 122.820 -0.115 0.000 1.884 402 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 402 A C 2.090 179.868 177.584 0.324 0.000 1.197 402 A CA 1.861 53.971 52.037 0.122 0.000 0.637 402 A CB -1.195 17.937 19.000 0.221 0.000 0.827 402 A HN 0.733 nan 8.150 nan 0.000 0.450 403 F N 0.175 120.139 119.950 0.023 0.000 2.287 403 F HA -0.172 4.355 4.527 -0.000 0.000 0.301 403 F C 2.651 178.500 175.800 0.082 0.000 1.069 403 F CA 0.008 58.052 58.000 0.074 0.000 1.372 403 F CB -0.673 38.358 39.000 0.052 0.000 1.056 403 F HN 0.384 nan 8.300 nan 0.000 0.523 404 A N 1.428 124.383 122.820 0.226 0.000 2.631 404 A HA -0.383 3.937 4.320 -0.000 0.000 0.219 404 A C 1.957 179.631 177.584 0.150 0.000 1.306 404 A CA 2.461 54.587 52.037 0.149 0.000 1.012 404 A CB -1.311 17.750 19.000 0.102 0.000 0.726 404 A HN 0.457 nan 8.150 nan 0.000 0.541 405 Q N -2.318 117.568 119.800 0.143 0.000 2.234 405 Q HA -0.151 4.189 4.340 -0.000 0.000 0.206 405 Q C 1.656 177.752 176.000 0.160 0.000 0.980 405 Q CA 1.642 57.524 55.803 0.132 0.000 0.869 405 Q CB -0.185 28.628 28.738 0.125 0.000 0.912 405 Q HN 0.702 nan 8.270 nan 0.000 0.436 406 F N -0.164 119.819 119.950 0.054 0.000 2.765 406 F HA 0.253 4.780 4.527 0.000 0.000 0.302 406 F C 1.106 176.920 175.800 0.024 0.000 1.111 406 F CA -0.208 57.810 58.000 0.029 0.000 1.359 406 F CB 0.484 39.491 39.000 0.012 0.000 1.097 406 F HN -0.149 nan 8.300 nan 0.000 0.577 407 G N 0.613 109.431 108.800 0.030 0.000 3.008 407 G HA2 0.082 4.042 3.960 -0.000 0.000 0.272 407 G HA3 0.082 4.042 3.960 -0.000 0.000 0.272 407 G C 0.380 175.216 174.900 -0.106 0.000 0.764 407 G CA -0.124 44.966 45.100 -0.017 0.000 2.029 407 G HN 0.223 nan 8.290 nan 0.000 0.587 408 S N 0.332 115.881 115.700 -0.251 0.000 2.768 408 S HA 0.160 4.630 4.470 -0.000 0.000 0.246 408 S C 0.659 175.177 174.600 -0.137 0.000 1.006 408 S CA 0.017 58.093 58.200 -0.206 0.000 1.075 408 S CB 0.044 63.064 63.200 -0.300 0.000 0.786 408 S HN 0.770 nan 8.310 nan 0.000 0.468 409 D N -0.235 120.111 120.400 -0.089 0.000 3.899 409 D HA 0.014 4.654 4.640 -0.000 0.000 0.270 409 D C -0.378 175.908 176.300 -0.023 0.000 0.842 409 D CA -0.210 53.757 54.000 -0.054 0.000 0.782 409 D CB -0.449 40.313 40.800 -0.063 0.000 1.750 409 D HN 0.180 nan 8.370 nan 0.000 0.244 410 L N 2.479 123.700 121.223 -0.004 0.000 2.573 410 L HA 0.084 4.424 4.340 -0.000 0.000 0.290 410 L C 1.086 177.974 176.870 0.030 0.000 1.247 410 L CA 0.434 55.295 54.840 0.036 0.000 0.876 410 L CB 0.197 42.301 42.059 0.074 0.000 1.123 410 L HN 0.289 nan 8.230 nan 0.000 0.505 411 D N 2.570 122.994 120.400 0.039 0.000 2.361 411 D HA 0.018 4.658 4.640 -0.000 0.000 0.239 411 D C 0.898 177.215 176.300 0.028 0.000 1.200 411 D CA 0.119 54.136 54.000 0.028 0.000 0.915 411 D CB 1.083 41.903 40.800 0.033 0.000 1.170 411 D HN 0.587 nan 8.370 nan 0.000 0.444 412 A N 1.350 124.180 122.820 0.017 0.000 1.917 412 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 412 A C 2.276 179.868 177.584 0.014 0.000 1.182 412 A CA 2.748 54.791 52.037 0.011 0.000 0.633 412 A CB -1.120 17.881 19.000 0.003 0.000 0.819 412 A HN 0.763 nan 8.150 nan 0.000 0.448 413 A N -0.202 122.629 122.820 0.018 0.000 1.849 413 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 413 A C 2.561 180.161 177.584 0.026 0.000 1.202 413 A CA 3.355 55.403 52.037 0.018 0.000 0.629 413 A CB -1.689 17.325 19.000 0.023 0.000 0.834 413 A HN 0.912 nan 8.150 nan 0.000 0.447 414 T N -2.297 112.285 114.554 0.048 0.000 2.674 414 T HA -0.278 4.072 4.350 -0.000 0.000 0.265 414 T C 2.007 176.739 174.700 0.053 0.000 1.039 414 T CA 1.811 63.946 62.100 0.057 0.000 1.150 414 T CB -0.665 68.274 68.868 0.120 0.000 0.864 414 T HN 0.559 nan 8.240 nan 0.000 0.427 415 Q N 0.395 120.227 119.800 0.054 0.000 2.217 415 Q HA -0.284 4.055 4.340 -0.000 0.000 0.209 415 Q C 2.429 178.445 176.000 0.025 0.000 0.988 415 Q CA 2.061 57.889 55.803 0.042 0.000 0.878 415 Q CB -0.236 28.520 28.738 0.029 0.000 0.909 415 Q HN 0.662 nan 8.270 nan 0.000 0.424 416 Q N -0.150 119.659 119.800 0.014 0.000 2.269 416 Q HA 0.010 4.350 4.340 -0.000 0.000 0.201 416 Q C 1.699 177.696 176.000 -0.005 0.000 0.946 416 Q CA 0.932 56.731 55.803 -0.006 0.000 0.877 416 Q CB 0.023 28.752 28.738 -0.015 0.000 0.963 416 Q HN 0.514 nan 8.270 nan 0.000 0.472 417 L N -0.498 120.736 121.223 0.019 0.000 2.109 417 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 417 L C 2.080 179.012 176.870 0.103 0.000 1.086 417 L CA 0.659 55.522 54.840 0.039 0.000 0.760 417 L CB -0.335 41.744 42.059 0.033 0.000 0.910 417 L HN 0.255 nan 8.230 nan 0.000 0.437 418 L N -1.136 120.158 121.223 0.118 0.000 2.027 418 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 418 L C 2.744 179.624 176.870 0.016 0.000 1.074 418 L CA 0.892 55.851 54.840 0.199 0.000 0.745 418 L CB -0.576 41.576 42.059 0.155 0.000 0.898 418 L HN 0.153 nan 8.230 nan 0.000 0.433 419 S N -0.229 115.461 115.700 -0.017 0.000 2.392 419 S HA -0.237 4.233 4.470 -0.000 0.000 0.225 419 S C 2.092 176.602 174.600 -0.149 0.000 1.041 419 S CA 1.366 59.524 58.200 -0.070 0.000 1.100 419 S CB -0.332 62.835 63.200 -0.054 0.000 1.029 419 S HN 0.293 nan 8.310 nan 0.000 0.424 420 R N 0.821 121.232 120.500 -0.149 0.000 2.133 420 R HA -0.096 4.244 4.340 -0.000 0.000 0.247 420 R C 2.499 178.602 176.300 -0.328 0.000 1.151 420 R CA 1.444 57.427 56.100 -0.194 0.000 0.971 420 R CB -1.633 28.577 30.300 -0.149 0.000 0.866 420 R HN 0.550 nan 8.270 nan 0.000 0.447 421 G N 0.769 109.266 108.800 -0.505 0.000 2.586 421 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 421 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 421 G C 1.519 175.805 174.900 -1.023 0.000 1.216 421 G CA 2.062 46.354 45.100 -1.347 0.000 0.786 421 G HN 0.346 nan 8.290 nan 0.000 0.583 422 V N -1.062 118.494 119.914 -0.597 0.000 2.515 422 V HA -0.019 4.101 4.120 -0.000 0.000 0.250 422 V C 2.732 178.699 176.094 -0.212 0.000 1.058 422 V CA 2.113 64.243 62.300 -0.284 0.000 1.064 422 V CB -0.650 31.102 31.823 -0.118 0.000 0.675 422 V HN 0.155 nan 8.190 nan 0.000 0.461 423 R N 0.813 121.182 120.500 -0.218 0.000 2.070 423 R HA 0.089 4.429 4.340 -0.000 0.000 0.233 423 R C 2.314 178.512 176.300 -0.169 0.000 1.137 423 R CA 2.012 58.007 56.100 -0.175 0.000 0.945 423 R CB -1.159 29.034 30.300 -0.179 0.000 0.845 423 R HN 0.543 nan 8.270 nan 0.000 0.430 424 L N -0.254 120.851 121.223 -0.196 0.000 2.131 424 L HA -0.156 4.183 4.340 -0.000 0.000 0.210 424 L C 1.992 178.792 176.870 -0.117 0.000 1.092 424 L CA 1.559 56.308 54.840 -0.153 0.000 0.759 424 L CB -0.756 41.209 42.059 -0.156 0.000 0.903 424 L HN 0.288 nan 8.230 nan 0.000 0.435 425 T N -1.026 113.448 114.554 -0.133 0.000 2.777 425 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 425 T C 1.772 176.438 174.700 -0.057 0.000 1.040 425 T CA 0.961 63.015 62.100 -0.076 0.000 1.141 425 T CB -0.108 68.727 68.868 -0.055 0.000 0.868 425 T HN 0.280 nan 8.240 nan 0.000 0.444 426 E N 1.243 121.405 120.200 -0.063 0.000 2.130 426 E HA -0.084 4.266 4.350 -0.000 0.000 0.196 426 E C 2.297 178.876 176.600 -0.034 0.000 0.998 426 E CA 0.743 57.119 56.400 -0.039 0.000 0.806 426 E CB -0.492 29.186 29.700 -0.037 0.000 0.738 426 E HN 0.479 nan 8.360 nan 0.000 0.459 427 L N 0.424 121.616 121.223 -0.051 0.000 1.989 427 L HA -0.206 4.134 4.340 -0.000 0.000 0.211 427 L C 2.622 179.479 176.870 -0.023 0.000 1.071 427 L CA 1.058 55.876 54.840 -0.036 0.000 0.749 427 L CB -0.592 41.436 42.059 -0.053 0.000 0.890 427 L HN 0.141 nan 8.230 nan 0.000 0.431 428 L N -0.213 120.991 121.223 -0.032 0.000 2.351 428 L HA -0.172 4.168 4.340 -0.000 0.000 0.220 428 L C 0.912 177.760 176.870 -0.037 0.000 1.127 428 L CA 0.756 55.579 54.840 -0.029 0.000 0.786 428 L CB -0.579 41.463 42.059 -0.029 0.000 0.914 428 L HN 0.219 nan 8.230 nan 0.000 0.443 429 K N 1.592 121.970 120.400 -0.037 0.000 2.419 429 K HA 0.050 4.370 4.320 -0.000 0.000 0.282 429 K C 0.011 176.587 176.600 -0.039 0.000 1.056 429 K CA 0.342 56.600 56.287 -0.049 0.000 1.035 429 K CB 0.436 32.914 32.500 -0.037 0.000 0.921 429 K HN 0.157 nan 8.250 nan 0.000 0.472 430 Q N 1.160 120.925 119.800 -0.059 0.000 2.433 430 Q HA 0.430 4.770 4.340 -0.000 0.000 0.279 430 Q C -0.559 175.400 176.000 -0.068 0.000 1.105 430 Q CA -0.866 54.908 55.803 -0.047 0.000 0.815 430 Q CB 1.948 30.660 28.738 -0.044 0.000 1.403 430 Q HN 0.742 nan 8.270 nan 0.000 0.435 431 G N 1.239 110.010 108.800 -0.049 0.000 2.420 431 G HA2 0.180 4.140 3.960 -0.000 0.000 0.284 431 G HA3 0.180 4.140 3.960 -0.000 0.000 0.284 431 G C -0.766 174.076 174.900 -0.096 0.000 1.177 431 G CA -0.254 44.811 45.100 -0.059 0.000 0.841 431 G HN 0.624 nan 8.290 nan 0.000 0.527 432 Q N 0.210 119.903 119.800 -0.178 0.000 2.368 432 Q HA 0.189 4.529 4.340 -0.000 0.000 0.237 432 Q C -0.073 175.792 176.000 -0.224 0.000 0.987 432 Q CA -0.333 55.260 55.803 -0.350 0.000 0.896 432 Q CB 0.272 28.606 28.738 -0.674 0.000 1.241 432 Q HN 0.740 nan 8.270 nan 0.000 0.485 433 Y N -0.339 119.948 120.300 -0.023 0.000 4.851 433 Y HA -0.316 4.234 4.550 -0.000 0.000 0.235 433 Y C 0.010 175.894 175.900 -0.026 0.000 0.998 433 Y CA 0.497 58.582 58.100 -0.025 0.000 1.980 433 Y CB -1.931 36.514 38.460 -0.024 0.000 1.561 433 Y HN 0.556 nan 8.280 nan 0.000 0.585 434 S N -0.196 115.550 115.700 0.077 0.000 2.158 434 S HA 0.484 4.954 4.470 -0.000 0.000 0.160 434 S C -2.449 172.153 174.600 0.004 0.000 1.693 434 S CA -1.162 57.060 58.200 0.037 0.000 1.251 434 S CB 2.031 65.249 63.200 0.030 0.000 1.153 434 S HN 0.087 nan 8.310 nan 0.000 0.439 435 P HA 0.551 nan 4.420 nan 0.000 0.285 435 P C -0.544 176.738 177.300 -0.030 0.000 1.269 435 P CA -0.726 62.365 63.100 -0.017 0.000 0.844 435 P CB 1.430 33.120 31.700 -0.018 0.000 1.094 436 M N -0.177 119.408 119.600 -0.025 0.000 2.644 436 M HA 0.768 5.248 4.480 -0.000 0.000 0.304 436 M C -0.405 175.884 176.300 -0.019 0.000 1.215 436 M CA -1.269 54.014 55.300 -0.028 0.000 0.871 436 M CB 2.125 34.718 32.600 -0.013 0.000 1.740 436 M HN 0.185 nan 8.290 nan 0.000 0.464 437 A N 1.332 124.139 122.820 -0.022 0.000 2.445 437 A HA 0.296 4.616 4.320 -0.000 0.000 0.242 437 A C 0.938 178.554 177.584 0.053 0.000 1.075 437 A CA -0.464 51.590 52.037 0.029 0.000 0.777 437 A CB 0.066 19.082 19.000 0.026 0.000 1.013 437 A HN 0.933 nan 8.150 nan 0.000 0.493 438 I N 0.967 121.594 120.570 0.095 0.000 2.236 438 I HA -0.282 3.888 4.170 -0.000 0.000 0.249 438 I C 1.989 178.129 176.117 0.038 0.000 1.102 438 I CA 2.327 63.664 61.300 0.062 0.000 1.365 438 I CB -0.404 37.631 38.000 0.058 0.000 1.051 438 I HN 0.847 nan 8.210 nan 0.000 0.420 439 E N 0.140 120.359 120.200 0.032 0.000 2.047 439 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 439 E C 2.084 178.683 176.600 -0.001 0.000 0.987 439 E CA 1.475 57.881 56.400 0.009 0.000 0.799 439 E CB -0.503 29.196 29.700 -0.001 0.000 0.752 439 E HN 0.546 nan 8.360 nan 0.000 0.449 440 E N 0.966 121.162 120.200 -0.007 0.000 2.130 440 E HA -0.264 4.086 4.350 -0.000 0.000 0.196 440 E C 2.148 178.753 176.600 0.010 0.000 0.998 440 E CA 1.297 57.685 56.400 -0.020 0.000 0.806 440 E CB -0.139 29.546 29.700 -0.026 0.000 0.738 440 E HN 0.373 nan 8.360 nan 0.000 0.459 441 Q N 0.262 120.076 119.800 0.023 0.000 1.942 441 Q HA -0.146 4.194 4.340 -0.000 0.000 0.203 441 Q C 2.637 178.672 176.000 0.058 0.000 0.987 441 Q CA 1.751 57.577 55.803 0.038 0.000 0.844 441 Q CB -0.520 28.237 28.738 0.032 0.000 0.911 441 Q HN 0.332 nan 8.270 nan 0.000 0.423 442 V N 0.038 119.983 119.914 0.053 0.000 2.439 442 V HA -0.298 3.822 4.120 -0.000 0.000 0.253 442 V C 2.046 178.211 176.094 0.119 0.000 1.074 442 V CA 2.240 64.586 62.300 0.076 0.000 1.076 442 V CB -1.041 30.816 31.823 0.056 0.000 0.664 442 V HN 0.394 nan 8.190 nan 0.000 0.461 443 A N 0.406 123.276 122.820 0.084 0.000 1.972 443 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 443 A C 2.427 180.184 177.584 0.289 0.000 1.169 443 A CA 2.544 54.648 52.037 0.111 0.000 0.635 443 A CB -0.775 18.223 19.000 -0.002 0.000 0.810 443 A HN 1.341 nan 8.150 nan 0.000 0.446 444 V N -2.766 117.285 119.914 0.230 0.000 2.725 444 V HA -0.013 4.107 4.120 -0.000 0.000 0.247 444 V C 2.042 178.214 176.094 0.129 0.000 1.058 444 V CA 0.857 63.303 62.300 0.245 0.000 1.080 444 V CB -0.723 31.207 31.823 0.179 0.000 0.713 444 V HN 0.355 nan 8.190 nan 0.000 0.465 445 I N 0.033 120.670 120.570 0.111 0.000 2.252 445 I HA -0.168 4.002 4.170 -0.000 0.000 0.245 445 I C 2.547 178.706 176.117 0.070 0.000 1.102 445 I CA 2.101 63.436 61.300 0.059 0.000 1.385 445 I CB -1.413 36.620 38.000 0.054 0.000 1.064 445 I HN 0.449 nan 8.210 nan 0.000 0.414 446 Y N 2.507 122.821 120.300 0.024 0.000 1.993 446 Y HA -0.362 4.188 4.550 -0.000 0.000 0.267 446 Y C 2.720 178.642 175.900 0.037 0.000 1.155 446 Y CA 2.572 60.695 58.100 0.039 0.000 1.105 446 Y CB -0.531 37.970 38.460 0.068 0.000 0.960 446 Y HN 0.141 nan 8.280 nan 0.000 0.486 447 A N -0.202 122.722 122.820 0.174 0.000 2.084 447 A HA -0.171 4.149 4.320 -0.000 0.000 0.221 447 A C 2.318 179.833 177.584 -0.115 0.000 1.161 447 A CA 1.912 53.941 52.037 -0.013 0.000 0.653 447 A CB -1.632 17.128 19.000 -0.400 0.000 0.802 447 A HN 0.700 nan 8.150 nan 0.000 0.457 448 G N -1.398 107.319 108.800 -0.139 0.000 2.471 448 G HA2 0.044 4.004 3.960 -0.000 0.000 0.211 448 G HA3 0.044 4.004 3.960 -0.000 0.000 0.211 448 G C 1.534 176.326 174.900 -0.180 0.000 1.194 448 G CA 0.846 45.844 45.100 -0.170 0.000 0.816 448 G HN 0.464 nan 8.290 nan 0.000 0.545 449 V N 1.205 121.019 119.914 -0.167 0.000 2.392 449 V HA -0.087 4.033 4.120 -0.000 0.000 0.249 449 V C 2.624 178.574 176.094 -0.241 0.000 1.059 449 V CA 1.727 63.921 62.300 -0.177 0.000 1.051 449 V CB -0.359 31.379 31.823 -0.141 0.000 0.658 449 V HN 0.228 nan 8.190 nan 0.000 0.455 450 R N 0.205 120.503 120.500 -0.338 0.000 2.339 450 R HA 0.112 4.452 4.340 -0.000 0.000 0.199 450 R C 1.750 177.740 176.300 -0.516 0.000 1.018 450 R CA 0.852 56.694 56.100 -0.429 0.000 1.036 450 R CB -0.827 29.157 30.300 -0.527 0.000 0.899 450 R HN 0.784 nan 8.270 nan 0.000 0.473 451 G N 0.095 108.657 108.800 -0.396 0.000 2.157 451 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.248 451 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.248 451 G C 0.622 175.289 174.900 -0.388 0.000 0.979 451 G CA 0.275 45.156 45.100 -0.366 0.000 0.650 451 G HN 0.402 nan 8.290 nan 0.000 0.529 452 Y N 0.225 120.402 120.300 -0.204 0.000 2.274 452 Y HA 0.105 4.655 4.550 -0.000 0.000 0.290 452 Y C 2.784 178.536 175.900 -0.248 0.000 1.145 452 Y CA 1.562 59.545 58.100 -0.195 0.000 1.203 452 Y CB -0.075 38.261 38.460 -0.206 0.000 0.984 452 Y HN 0.358 nan 8.280 nan 0.000 0.533 453 L N -0.204 120.902 121.223 -0.195 0.000 2.599 453 L HA -0.070 4.270 4.340 -0.000 0.000 0.230 453 L C 0.788 177.559 176.870 -0.165 0.000 1.141 453 L CA 0.359 55.041 54.840 -0.264 0.000 0.877 453 L CB -0.366 41.488 42.059 -0.341 0.000 1.009 453 L HN 0.171 nan 8.230 nan 0.000 0.447 454 D N 0.657 120.971 120.400 -0.145 0.000 2.351 454 D HA -0.122 4.517 4.640 -0.000 0.000 0.216 454 D C 1.960 178.217 176.300 -0.072 0.000 0.968 454 D CA 1.024 54.956 54.000 -0.115 0.000 0.899 454 D CB 0.193 40.916 40.800 -0.128 0.000 0.907 454 D HN 0.314 nan 8.370 nan 0.000 0.514 455 K N -0.547 119.823 120.400 -0.050 0.000 2.287 455 K HA 0.092 4.412 4.320 -0.000 0.000 0.199 455 K C 0.548 177.152 176.600 0.007 0.000 1.061 455 K CA -0.501 55.778 56.287 -0.014 0.000 0.976 455 K CB 0.326 32.832 32.500 0.010 0.000 0.898 455 K HN 0.008 nan 8.250 nan 0.000 0.492 456 L N 3.046 124.276 121.223 0.012 0.000 2.543 456 L HA -0.050 4.290 4.340 -0.000 0.000 0.285 456 L C 0.265 177.159 176.870 0.039 0.000 1.236 456 L CA 0.632 55.507 54.840 0.058 0.000 0.871 456 L CB 0.182 42.273 42.059 0.054 0.000 1.121 456 L HN 0.112 nan 8.230 nan 0.000 0.501 457 E N 5.997 126.237 120.200 0.066 0.000 2.376 457 E HA 0.032 4.382 4.350 -0.000 0.000 0.266 457 E C -1.720 174.908 176.600 0.046 0.000 1.009 457 E CA -1.250 55.178 56.400 0.047 0.000 0.902 457 E CB 0.953 30.683 29.700 0.049 0.000 0.972 457 E HN 0.518 nan 8.360 nan 0.000 0.439 458 P HA -0.301 nan 4.420 nan 0.000 0.218 458 P C 1.127 178.449 177.300 0.036 0.000 1.165 458 P CA 2.262 65.370 63.100 0.014 0.000 0.922 458 P CB 0.020 31.726 31.700 0.011 0.000 0.794 459 S N -2.192 113.538 115.700 0.049 0.000 2.537 459 S HA -0.083 4.387 4.470 -0.000 0.000 0.240 459 S C 1.460 176.117 174.600 0.095 0.000 0.981 459 S CA 1.102 59.339 58.200 0.062 0.000 0.948 459 S CB -0.638 62.595 63.200 0.055 0.000 0.759 459 S HN 0.100 nan 8.310 nan 0.000 0.531 460 K N 0.734 121.209 120.400 0.126 0.000 2.335 460 K HA 0.395 4.715 4.320 -0.000 0.000 0.195 460 K C 1.714 178.470 176.600 0.260 0.000 1.058 460 K CA 0.086 56.507 56.287 0.223 0.000 0.988 460 K CB -0.379 32.289 32.500 0.280 0.000 0.880 460 K HN 0.184 nan 8.250 nan 0.000 0.513 461 I N 1.660 122.317 120.570 0.145 0.000 2.130 461 I HA -0.424 3.746 4.170 -0.000 0.000 0.241 461 I C 1.652 177.846 176.117 0.128 0.000 1.023 461 I CA 2.040 63.378 61.300 0.064 0.000 1.293 461 I CB -1.954 36.032 38.000 -0.023 0.000 1.001 461 I HN 0.194 nan 8.210 nan 0.000 0.407 462 T N 1.119 115.740 114.554 0.113 0.000 2.597 462 T HA -0.294 4.056 4.350 -0.000 0.000 0.267 462 T C 1.877 176.677 174.700 0.165 0.000 1.053 462 T CA 2.094 64.261 62.100 0.113 0.000 1.165 462 T CB -0.456 68.463 68.868 0.085 0.000 0.863 462 T HN 0.399 nan 8.240 nan 0.000 0.427 463 K N 0.194 120.721 120.400 0.212 0.000 2.286 463 K HA -0.135 4.185 4.320 -0.000 0.000 0.203 463 K C 2.019 178.778 176.600 0.265 0.000 1.045 463 K CA 1.055 57.497 56.287 0.259 0.000 0.935 463 K CB -0.309 32.390 32.500 0.331 0.000 0.737 463 K HN 0.434 nan 8.250 nan 0.000 0.460 464 F N 1.685 121.644 119.950 0.015 0.000 2.059 464 F HA -0.131 4.396 4.527 -0.000 0.000 0.289 464 F C 2.463 178.226 175.800 -0.061 0.000 1.128 464 F CA 1.712 59.519 58.000 -0.322 0.000 1.181 464 F CB -0.322 38.404 39.000 -0.456 0.000 1.012 464 F HN 0.096 nan 8.300 nan 0.000 0.473 465 E N 0.376 120.822 120.200 0.410 0.000 2.164 465 E HA -0.403 3.947 4.350 -0.000 0.000 0.206 465 E C 1.879 178.600 176.600 0.202 0.000 1.032 465 E CA 1.963 58.556 56.400 0.322 0.000 0.832 465 E CB -0.468 29.339 29.700 0.179 0.000 0.742 465 E HN 0.487 nan 8.360 nan 0.000 0.460 466 N N -0.172 118.615 118.700 0.145 0.000 2.025 466 N HA -0.169 4.571 4.740 -0.000 0.000 0.194 466 N C 1.633 177.197 175.510 0.091 0.000 1.044 466 N CA 2.256 55.368 53.050 0.104 0.000 0.851 466 N CB -0.326 38.228 38.487 0.110 0.000 1.036 466 N HN 0.243 nan 8.380 nan 0.000 0.422 467 A N -1.220 121.664 122.820 0.108 0.000 2.016 467 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 467 A C 2.017 179.706 177.584 0.175 0.000 1.162 467 A CA 0.621 52.765 52.037 0.178 0.000 0.662 467 A CB -0.829 18.315 19.000 0.240 0.000 0.812 467 A HN 0.481 nan 8.150 nan 0.000 0.450 468 F N 0.018 119.790 119.950 -0.296 0.000 2.128 468 F HA -0.023 4.504 4.527 -0.000 0.000 0.295 468 F C 1.777 177.336 175.800 -0.401 0.000 1.100 468 F CA 1.487 58.975 58.000 -0.852 0.000 1.260 468 F CB -0.282 38.314 39.000 -0.673 0.000 1.009 468 F HN 0.199 nan 8.300 nan 0.000 0.476 469 L N 0.020 121.105 121.223 -0.231 0.000 2.005 469 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 469 L C 2.434 179.175 176.870 -0.216 0.000 1.072 469 L CA 2.183 56.875 54.840 -0.247 0.000 0.744 469 L CB -1.199 40.833 42.059 -0.045 0.000 0.895 469 L HN 0.112 nan 8.230 nan 0.000 0.433 470 S N -1.077 114.565 115.700 -0.097 0.000 2.380 470 S HA -0.333 4.137 4.470 -0.000 0.000 0.229 470 S C 1.902 176.469 174.600 -0.055 0.000 1.043 470 S CA 1.646 59.818 58.200 -0.046 0.000 1.038 470 S CB -0.828 62.383 63.200 0.018 0.000 0.872 470 S HN 0.755 nan 8.310 nan 0.000 0.456 471 H N 2.251 121.218 119.070 -0.173 0.000 2.253 471 H HA -0.103 4.453 4.556 -0.000 0.000 0.296 471 H C 2.162 177.379 175.328 -0.185 0.000 1.074 471 H CA 2.388 58.347 56.048 -0.149 0.000 1.263 471 H CB -0.894 28.765 29.762 -0.171 0.000 1.363 471 H HN 0.196 nan 8.280 nan 0.000 0.489 472 V N -0.325 119.219 119.914 -0.617 0.000 2.250 472 V HA -0.292 3.828 4.120 -0.000 0.000 0.250 472 V C 2.626 178.545 176.094 -0.290 0.000 1.060 472 V CA 2.406 64.378 62.300 -0.545 0.000 1.030 472 V CB -1.244 30.209 31.823 -0.617 0.000 0.643 472 V HN 0.498 nan 8.190 nan 0.000 0.445 473 I N 0.946 121.372 120.570 -0.240 0.000 2.248 473 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 473 I C 2.924 178.965 176.117 -0.127 0.000 1.107 473 I CA 2.162 63.373 61.300 -0.148 0.000 1.373 473 I CB -0.468 37.463 38.000 -0.115 0.000 1.055 473 I HN 0.532 nan 8.210 nan 0.000 0.418 474 S N -0.018 115.600 115.700 -0.136 0.000 2.362 474 S HA -0.131 4.339 4.470 -0.000 0.000 0.221 474 S C 1.809 176.328 174.600 -0.135 0.000 1.032 474 S CA 1.164 59.304 58.200 -0.100 0.000 0.973 474 S CB 0.052 63.228 63.200 -0.039 0.000 0.849 474 S HN 0.481 nan 8.310 nan 0.000 0.465 475 Q N -1.159 118.510 119.800 -0.217 0.000 2.217 475 Q HA 0.212 4.552 4.340 -0.000 0.000 0.217 475 Q C -0.494 175.162 176.000 -0.573 0.000 0.844 475 Q CA 0.084 55.695 55.803 -0.321 0.000 0.957 475 Q CB 0.666 29.223 28.738 -0.301 0.000 1.127 475 Q HN 0.613 nan 8.270 nan 0.000 0.503 476 H N -0.615 118.303 119.070 -0.253 0.000 2.790 476 H HA 0.162 4.718 4.556 -0.000 0.000 0.232 476 H C 0.723 175.952 175.328 -0.165 0.000 1.313 476 H CA -0.227 55.697 56.048 -0.208 0.000 1.011 476 H CB 0.664 30.271 29.762 -0.259 0.000 2.105 476 H HN -0.032 nan 8.280 nan 0.000 0.580 477 Q N 1.130 120.882 119.800 -0.080 0.000 1.985 477 Q HA -0.137 4.202 4.340 -0.000 0.000 0.207 477 Q C 2.396 178.368 176.000 -0.047 0.000 0.996 477 Q CA 1.771 57.535 55.803 -0.065 0.000 0.851 477 Q CB -0.470 28.228 28.738 -0.067 0.000 0.921 477 Q HN 0.621 nan 8.270 nan 0.000 0.418 478 A N 1.269 124.060 122.820 -0.048 0.000 2.032 478 A HA -0.178 4.142 4.320 -0.000 0.000 0.221 478 A C 2.018 179.586 177.584 -0.027 0.000 1.165 478 A CA 1.416 53.431 52.037 -0.036 0.000 0.645 478 A CB -0.728 18.249 19.000 -0.039 0.000 0.807 478 A HN 0.433 nan 8.150 nan 0.000 0.453 479 L N -0.672 120.541 121.223 -0.016 0.000 2.093 479 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 479 L C 2.265 179.105 176.870 -0.049 0.000 1.085 479 L CA 1.656 56.483 54.840 -0.021 0.000 0.755 479 L CB -0.571 41.490 42.059 0.003 0.000 0.904 479 L HN 0.454 nan 8.230 nan 0.000 0.435 480 L N -0.125 121.068 121.223 -0.051 0.000 2.027 480 L HA -0.125 4.215 4.340 -0.000 0.000 0.206 480 L C 2.709 179.557 176.870 -0.036 0.000 1.074 480 L CA 1.301 56.108 54.840 -0.055 0.000 0.745 480 L CB -1.207 40.819 42.059 -0.056 0.000 0.898 480 L HN 0.353 nan 8.230 nan 0.000 0.433 481 G N 0.170 108.952 108.800 -0.030 0.000 2.469 481 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 481 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 481 G C 1.649 176.536 174.900 -0.021 0.000 1.136 481 G CA 0.784 45.871 45.100 -0.021 0.000 0.759 481 G HN 0.346 nan 8.290 nan 0.000 0.562 482 K N -0.094 120.291 120.400 -0.026 0.000 2.211 482 K HA 0.079 4.399 4.320 -0.000 0.000 0.203 482 K C 2.363 178.947 176.600 -0.026 0.000 1.050 482 K CA 0.722 56.994 56.287 -0.024 0.000 0.945 482 K CB -0.161 32.324 32.500 -0.026 0.000 0.732 482 K HN 0.392 nan 8.250 nan 0.000 0.451 483 I N 0.596 121.146 120.570 -0.032 0.000 2.163 483 I HA -0.255 3.915 4.170 -0.000 0.000 0.240 483 I C 2.701 178.808 176.117 -0.017 0.000 1.081 483 I CA 1.071 62.353 61.300 -0.029 0.000 1.353 483 I CB -0.343 37.635 38.000 -0.037 0.000 1.054 483 I HN 0.129 nan 8.210 nan 0.000 0.407 484 R N 0.921 121.413 120.500 -0.015 0.000 2.103 484 R HA -0.193 4.147 4.340 -0.000 0.000 0.234 484 R C 2.386 178.678 176.300 -0.014 0.000 1.132 484 R CA 2.707 58.800 56.100 -0.011 0.000 0.925 484 R CB -0.581 29.714 30.300 -0.007 0.000 0.842 484 R HN 0.289 nan 8.270 nan 0.000 0.430 485 T N 1.438 115.983 114.554 -0.014 0.000 2.570 485 T HA -0.186 4.164 4.350 -0.000 0.000 0.266 485 T C 1.264 175.956 174.700 -0.013 0.000 1.071 485 T CA 1.850 63.941 62.100 -0.014 0.000 1.172 485 T CB -0.619 68.241 68.868 -0.014 0.000 0.864 485 T HN 0.384 nan 8.240 nan 0.000 0.421 486 D N 0.676 121.069 120.400 -0.011 0.000 2.411 486 D HA -0.009 4.631 4.640 -0.000 0.000 0.226 486 D C 1.810 178.106 176.300 -0.006 0.000 0.988 486 D CA 1.001 54.996 54.000 -0.008 0.000 0.938 486 D CB -0.555 40.241 40.800 -0.007 0.000 0.883 486 D HN 0.636 nan 8.370 nan 0.000 0.525 487 G N 1.376 110.170 108.800 -0.009 0.000 2.322 487 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.264 487 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.264 487 G C 0.594 175.492 174.900 -0.002 0.000 0.992 487 G CA 1.608 46.704 45.100 -0.008 0.000 0.624 487 G HN 0.566 nan 8.290 nan 0.000 0.543 488 K N -1.717 118.684 120.400 0.001 0.000 2.152 488 K HA 0.738 5.058 4.320 -0.000 0.000 0.257 488 K C -1.144 175.464 176.600 0.012 0.000 0.961 488 K CA -1.216 55.077 56.287 0.010 0.000 0.816 488 K CB 0.560 33.068 32.500 0.013 0.000 1.501 488 K HN 0.081 nan 8.250 nan 0.000 0.417 489 I N 2.905 123.492 120.570 0.028 0.000 2.276 489 I HA 0.099 4.269 4.170 -0.000 0.000 0.290 489 I C 0.183 176.317 176.117 0.029 0.000 1.109 489 I CA 0.156 61.476 61.300 0.033 0.000 1.229 489 I CB 0.614 38.667 38.000 0.089 0.000 1.452 489 I HN 0.664 nan 8.210 nan 0.000 0.497 490 S N 3.098 118.804 115.700 0.010 0.000 2.580 490 S HA 0.020 4.490 4.470 -0.000 0.000 0.261 490 S C 1.252 175.864 174.600 0.021 0.000 1.366 490 S CA -0.200 58.006 58.200 0.011 0.000 0.996 490 S CB 0.667 63.867 63.200 0.001 0.000 0.902 490 S HN 0.694 nan 8.310 nan 0.000 0.566 491 E N 0.382 120.594 120.200 0.021 0.000 2.150 491 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 491 E C 1.841 178.456 176.600 0.025 0.000 0.985 491 E CA 1.219 57.636 56.400 0.029 0.000 0.814 491 E CB -0.052 29.663 29.700 0.023 0.000 0.752 491 E HN 0.818 nan 8.360 nan 0.000 0.466 492 E N -0.302 119.906 120.200 0.014 0.000 2.033 492 E HA -0.081 4.269 4.350 -0.000 0.000 0.189 492 E C 2.205 178.803 176.600 -0.003 0.000 0.979 492 E CA 1.099 57.504 56.400 0.008 0.000 0.802 492 E CB 0.048 29.750 29.700 0.003 0.000 0.763 492 E HN 0.084 nan 8.360 nan 0.000 0.449 493 S N 1.238 116.927 115.700 -0.019 0.000 2.382 493 S HA -0.181 4.289 4.470 -0.000 0.000 0.228 493 S C 1.648 176.197 174.600 -0.085 0.000 1.027 493 S CA 1.154 59.320 58.200 -0.057 0.000 0.991 493 S CB -0.276 62.884 63.200 -0.066 0.000 0.823 493 S HN 0.310 nan 8.310 nan 0.000 0.469 494 D N 1.359 121.746 120.400 -0.021 0.000 2.218 494 D HA -0.058 4.582 4.640 -0.000 0.000 0.204 494 D C 1.825 178.170 176.300 0.076 0.000 0.976 494 D CA 1.082 55.111 54.000 0.049 0.000 0.853 494 D CB -0.040 40.837 40.800 0.129 0.000 0.939 494 D HN 0.400 nan 8.370 nan 0.000 0.481 495 A N 0.604 123.448 122.820 0.040 0.000 1.903 495 A HA -0.049 4.271 4.320 -0.000 0.000 0.213 495 A C 2.185 179.782 177.584 0.021 0.000 1.185 495 A CA 1.307 53.374 52.037 0.050 0.000 0.628 495 A CB -0.319 18.704 19.000 0.040 0.000 0.830 495 A HN 0.160 nan 8.150 nan 0.000 0.446 496 K N -0.031 120.358 120.400 -0.019 0.000 2.057 496 K HA -0.019 4.301 4.320 -0.000 0.000 0.207 496 K C 1.741 178.287 176.600 -0.091 0.000 1.049 496 K CA 1.354 57.617 56.287 -0.039 0.000 0.931 496 K CB -0.354 32.118 32.500 -0.046 0.000 0.714 496 K HN 0.442 nan 8.250 nan 0.000 0.440 497 L N 0.680 121.804 121.223 -0.165 0.000 2.072 497 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 497 L C 2.616 179.465 176.870 -0.035 0.000 1.079 497 L CA 1.288 55.982 54.840 -0.244 0.000 0.752 497 L CB -0.461 41.141 42.059 -0.761 0.000 0.906 497 L HN 0.237 nan 8.230 nan 0.000 0.436 498 K N 0.239 120.704 120.400 0.109 0.000 2.160 498 K HA -0.266 4.054 4.320 -0.000 0.000 0.206 498 K C 1.890 178.515 176.600 0.043 0.000 1.047 498 K CA 1.784 58.181 56.287 0.183 0.000 0.930 498 K CB 0.154 32.806 32.500 0.253 0.000 0.720 498 K HN 0.135 nan 8.250 nan 0.000 0.450 499 E N 0.447 120.669 120.200 0.037 0.000 2.140 499 E HA 0.047 4.397 4.350 -0.000 0.000 0.191 499 E C 1.809 178.427 176.600 0.029 0.000 0.973 499 E CA 0.560 56.982 56.400 0.037 0.000 0.829 499 E CB 0.058 29.787 29.700 0.048 0.000 0.781 499 E HN 0.310 nan 8.360 nan 0.000 0.466 500 I N 0.360 120.928 120.570 -0.004 0.000 2.163 500 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 500 I C 2.245 178.434 176.117 0.120 0.000 1.085 500 I CA 1.272 62.575 61.300 0.006 0.000 1.347 500 I CB -0.577 37.309 38.000 -0.190 0.000 1.044 500 I HN 0.080 nan 8.210 nan 0.000 0.408 501 V N -0.688 119.255 119.914 0.047 0.000 2.270 501 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 501 V C 2.644 178.712 176.094 -0.044 0.000 1.043 501 V CA 2.219 64.516 62.300 -0.005 0.000 1.014 501 V CB -2.077 29.488 31.823 -0.430 0.000 0.645 501 V HN 0.562 nan 8.190 nan 0.000 0.447 502 T N -0.393 114.055 114.554 -0.177 0.000 2.624 502 T HA -0.321 4.029 4.350 -0.000 0.000 0.268 502 T C 1.850 176.605 174.700 0.092 0.000 1.041 502 T CA 2.269 64.360 62.100 -0.016 0.000 1.159 502 T CB -0.962 67.935 68.868 0.049 0.000 0.863 502 T HN 0.503 nan 8.240 nan 0.000 0.434 503 N N 0.790 119.553 118.700 0.105 0.000 2.106 503 N HA 0.015 4.755 4.740 -0.000 0.000 0.188 503 N C 1.553 177.151 175.510 0.147 0.000 1.029 503 N CA 1.264 54.385 53.050 0.118 0.000 0.848 503 N CB -0.695 37.860 38.487 0.113 0.000 1.007 503 N HN 0.527 nan 8.380 nan 0.000 0.423 504 F N 1.515 121.499 119.950 0.056 0.000 2.171 504 F HA -0.134 4.393 4.527 -0.000 0.000 0.300 504 F C 2.152 177.995 175.800 0.072 0.000 1.090 504 F CA 0.648 58.663 58.000 0.025 0.000 1.293 504 F CB -0.260 38.788 39.000 0.079 0.000 1.013 504 F HN -0.040 nan 8.300 nan 0.000 0.486 505 L N 1.213 122.681 121.223 0.408 0.000 1.932 505 L HA -0.125 4.215 4.340 -0.000 0.000 0.217 505 L C 2.641 179.668 176.870 0.263 0.000 1.077 505 L CA 2.414 57.516 54.840 0.438 0.000 0.765 505 L CB -1.545 40.718 42.059 0.340 0.000 0.888 505 L HN 0.157 nan 8.230 nan 0.000 0.433 506 A N -0.460 122.465 122.820 0.175 0.000 1.954 506 A HA -0.294 4.026 4.320 -0.000 0.000 0.222 506 A C 2.278 179.894 177.584 0.054 0.000 1.199 506 A CA 2.326 54.429 52.037 0.109 0.000 0.657 506 A CB -1.901 17.148 19.000 0.082 0.000 0.823 506 A HN 0.683 nan 8.150 nan 0.000 0.463 507 G N -2.434 106.362 108.800 -0.006 0.000 2.484 507 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.218 507 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.218 507 G C 1.331 176.172 174.900 -0.099 0.000 1.130 507 G CA 0.941 45.990 45.100 -0.084 0.000 0.784 507 G HN 0.491 nan 8.290 nan 0.000 0.543 508 F N 1.312 121.107 119.950 -0.259 0.000 2.146 508 F HA 0.101 4.628 4.527 0.000 0.000 0.298 508 F C 1.875 177.629 175.800 -0.077 0.000 1.096 508 F CA 1.006 58.867 58.000 -0.233 0.000 1.275 508 F CB 0.189 39.084 39.000 -0.174 0.000 1.008 508 F HN 0.162 nan 8.300 nan 0.000 0.480 509 E N 0.796 120.990 120.200 -0.010 0.000 2.338 509 E HA 0.349 4.698 4.350 -0.000 0.000 0.231 509 E C -0.055 176.501 176.600 -0.074 0.000 1.231 509 E CA -0.316 56.033 56.400 -0.085 0.000 1.490 509 E CB -0.007 29.720 29.700 0.044 0.000 1.360 509 E HN 0.313 nan 8.360 nan 0.000 0.435 510 A N 0.000 122.757 122.820 -0.106 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 51.992 52.037 -0.076 0.000 0.836 510 A CB 0.000 18.960 19.000 -0.066 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486