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 1efr_1_B DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE 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 0.000 176.282 176.300 -0.031 0.000 2.045 24 D CA 0.000 53.990 54.000 -0.016 0.000 0.868 24 D CB 0.000 40.791 40.800 -0.016 0.000 0.688 25 L N 2.448 123.645 121.223 -0.043 0.000 2.611 25 L HA 0.197 4.537 4.340 -0.000 0.000 0.229 25 L C 1.674 178.496 176.870 -0.079 0.000 1.137 25 L CA 0.109 54.901 54.840 -0.081 0.000 0.901 25 L CB 0.199 42.185 42.059 -0.121 0.000 1.098 25 L HN 0.367 nan 8.230 nan 0.000 0.456 26 E N 0.420 120.588 120.200 -0.053 0.000 2.075 26 E HA -0.054 4.296 4.350 -0.000 0.000 0.190 26 E C 1.171 177.745 176.600 -0.045 0.000 0.969 26 E CA 0.867 57.239 56.400 -0.046 0.000 0.815 26 E CB 0.393 30.073 29.700 -0.032 0.000 0.776 26 E HN 0.435 nan 8.360 nan 0.000 0.457 27 E N 0.300 120.475 120.200 -0.041 0.000 2.526 27 E HA 0.161 4.510 4.350 -0.000 0.000 0.208 27 E C 0.171 176.741 176.600 -0.050 0.000 0.997 27 E CA 0.181 56.556 56.400 -0.041 0.000 0.961 27 E CB 1.352 31.033 29.700 -0.032 0.000 1.030 27 E HN -0.004 nan 8.360 nan 0.000 0.483 28 T N -0.243 114.279 114.554 -0.052 0.000 2.864 28 T HA 0.722 5.072 4.350 -0.000 0.000 0.289 28 T C -0.225 174.439 174.700 -0.060 0.000 1.082 28 T CA -0.598 61.470 62.100 -0.053 0.000 1.009 28 T CB 2.283 71.130 68.868 -0.035 0.000 1.234 28 T HN 0.132 nan 8.240 nan 0.000 0.526 29 G N 0.425 109.198 108.800 -0.046 0.000 2.673 29 G HA2 0.625 4.585 3.960 -0.000 0.000 0.292 29 G HA3 0.625 4.585 3.960 -0.000 0.000 0.292 29 G C -1.887 173.027 174.900 0.022 0.000 1.450 29 G CA -0.845 44.238 45.100 -0.029 0.000 0.837 29 G HN 0.564 nan 8.290 nan 0.000 0.505 30 R N 0.310 120.854 120.500 0.073 0.000 2.562 30 R HA 0.525 4.865 4.340 -0.000 0.000 0.298 30 R C -0.394 175.981 176.300 0.125 0.000 0.961 30 R CA -0.768 55.391 56.100 0.098 0.000 0.881 30 R CB 2.530 32.890 30.300 0.100 0.000 1.159 30 R HN 0.332 nan 8.270 nan 0.000 0.450 31 V N 4.968 124.959 119.914 0.128 0.000 2.599 31 V HA -0.051 4.068 4.120 -0.000 0.000 0.300 31 V C 1.600 177.748 176.094 0.088 0.000 1.034 31 V CA 0.513 62.891 62.300 0.130 0.000 1.115 31 V CB 0.524 32.428 31.823 0.135 0.000 0.934 31 V HN 0.736 nan 8.190 nan 0.000 0.485 32 L N 3.675 124.946 121.223 0.080 0.000 2.249 32 L HA 0.171 4.511 4.340 -0.000 0.000 0.207 32 L C 0.719 177.604 176.870 0.024 0.000 1.090 32 L CA 0.850 55.717 54.840 0.044 0.000 0.802 32 L CB 0.224 42.306 42.059 0.039 0.000 0.947 32 L HN 0.884 nan 8.230 nan 0.000 0.453 33 S N -0.816 114.901 115.700 0.027 0.000 2.583 33 S HA 0.424 4.894 4.470 -0.000 0.000 0.294 33 S C -1.231 173.368 174.600 -0.002 0.000 1.121 33 S CA -0.866 57.339 58.200 0.007 0.000 0.910 33 S CB 1.586 64.787 63.200 0.001 0.000 1.102 33 S HN -0.018 nan 8.310 nan 0.000 0.451 34 I N 1.875 122.432 120.570 -0.021 0.000 2.433 34 I HA 0.934 5.104 4.170 -0.000 0.000 0.292 34 I C -0.009 176.081 176.117 -0.045 0.000 1.001 34 I CA -0.004 61.267 61.300 -0.048 0.000 1.119 34 I CB 1.295 39.246 38.000 -0.082 0.000 1.289 34 I HN 1.310 nan 8.210 nan 0.000 0.438 35 G N 5.167 113.938 108.800 -0.049 0.000 2.405 35 G HA2 0.379 4.339 3.960 -0.000 0.000 0.312 35 G HA3 0.379 4.339 3.960 -0.000 0.000 0.312 35 G C -1.188 173.685 174.900 -0.045 0.000 1.579 35 G CA -0.621 44.454 45.100 -0.043 0.000 0.933 35 G HN 0.642 nan 8.290 nan 0.000 0.628 36 D N 0.499 120.872 120.400 -0.046 0.000 2.800 36 D HA -0.177 4.463 4.640 -0.000 0.000 0.232 36 D C 1.599 177.865 176.300 -0.057 0.000 1.137 36 D CA 2.458 56.430 54.000 -0.047 0.000 0.718 36 D CB -1.182 39.592 40.800 -0.044 0.000 1.084 36 D HN 2.235 nan 8.370 nan 0.000 0.432 37 G N -0.391 108.370 108.800 -0.065 0.000 2.233 37 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.270 37 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.270 37 G C 0.255 175.103 174.900 -0.085 0.000 1.011 37 G CA 0.490 45.542 45.100 -0.080 0.000 0.762 37 G HN 0.529 nan 8.290 nan 0.000 0.511 38 I N 0.737 121.265 120.570 -0.070 0.000 2.448 38 I HA 0.561 4.731 4.170 -0.000 0.000 0.281 38 I C 0.468 176.563 176.117 -0.036 0.000 1.027 38 I CA -0.825 60.444 61.300 -0.052 0.000 1.111 38 I CB 1.323 39.298 38.000 -0.042 0.000 1.236 38 I HN 0.267 nan 8.210 nan 0.000 0.452 39 A N 8.056 130.865 122.820 -0.020 0.000 2.320 39 A HA 0.590 4.910 4.320 -0.000 0.000 0.287 39 A C 0.086 177.710 177.584 0.067 0.000 1.181 39 A CA -0.594 51.454 52.037 0.017 0.000 0.831 39 A CB 0.402 19.419 19.000 0.029 0.000 1.102 39 A HN 0.552 nan 8.150 nan 0.000 0.513 40 R N 2.865 123.398 120.500 0.056 0.000 2.233 40 R HA 0.329 4.669 4.340 -0.000 0.000 0.334 40 R C -0.859 175.496 176.300 0.092 0.000 1.037 40 R CA -0.282 55.856 56.100 0.063 0.000 0.920 40 R CB 0.628 30.952 30.300 0.039 0.000 1.137 40 R HN 0.470 nan 8.270 nan 0.000 0.492 41 V N 3.012 122.991 119.914 0.108 0.000 2.546 41 V HA 0.099 4.219 4.120 -0.000 0.000 0.284 41 V C 0.257 176.425 176.094 0.123 0.000 1.050 41 V CA -0.717 61.653 62.300 0.117 0.000 0.981 41 V CB 1.120 33.000 31.823 0.094 0.000 0.990 41 V HN 0.607 nan 8.190 nan 0.000 0.474 42 H N 2.624 121.711 119.070 0.029 0.000 2.517 42 H HA 0.661 5.217 4.556 -0.000 0.000 0.317 42 H C 0.341 175.676 175.328 0.011 0.000 1.080 42 H CA 0.903 56.962 56.048 0.018 0.000 1.301 42 H CB 0.861 30.633 29.762 0.017 0.000 1.425 42 H HN 1.062 nan 8.280 nan 0.000 0.471 43 G N 3.090 111.609 108.800 -0.469 0.000 2.445 43 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.212 43 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.212 43 G C -0.198 174.606 174.900 -0.160 0.000 1.217 43 G CA -0.453 44.429 45.100 -0.364 0.000 1.002 43 G HN 1.237 nan 8.290 nan 0.000 0.574 44 L N -0.637 120.517 121.223 -0.116 0.000 3.717 44 L HA -0.230 4.110 4.340 -0.000 0.000 0.411 44 L C 2.135 178.966 176.870 -0.065 0.000 1.233 44 L CA 1.110 55.904 54.840 -0.077 0.000 0.917 44 L CB -0.940 41.081 42.059 -0.064 0.000 1.902 44 L HN 0.713 nan 8.230 nan 0.000 0.894 45 R N -0.415 120.041 120.500 -0.074 0.000 2.211 45 R HA -0.154 4.186 4.340 -0.000 0.000 0.240 45 R C 1.541 177.819 176.300 -0.036 0.000 1.144 45 R CA 1.663 57.730 56.100 -0.054 0.000 0.992 45 R CB -0.229 30.039 30.300 -0.053 0.000 0.869 45 R HN 0.522 nan 8.270 nan 0.000 0.462 46 N N 0.088 118.767 118.700 -0.035 0.000 2.373 46 N HA 0.004 4.744 4.740 -0.000 0.000 0.181 46 N C 0.080 175.578 175.510 -0.021 0.000 1.082 46 N CA 0.244 53.279 53.050 -0.026 0.000 0.885 46 N CB 0.253 38.725 38.487 -0.024 0.000 0.977 46 N HN -0.015 nan 8.380 nan 0.000 0.462 47 V N 0.593 120.492 119.914 -0.025 0.000 2.928 47 V HA -0.037 4.083 4.120 -0.000 0.000 0.307 47 V C 0.548 176.637 176.094 -0.008 0.000 1.105 47 V CA -0.239 62.050 62.300 -0.018 0.000 1.223 47 V CB 0.005 31.816 31.823 -0.020 0.000 0.930 47 V HN 0.111 nan 8.190 nan 0.000 0.499 48 Q N 1.948 121.747 119.800 -0.002 0.000 2.193 48 Q HA 0.713 5.053 4.340 -0.000 0.000 0.246 48 Q C 0.166 176.173 176.000 0.012 0.000 0.959 48 Q CA -0.429 55.376 55.803 0.005 0.000 0.904 48 Q CB 1.413 30.155 28.738 0.006 0.000 1.238 48 Q HN 1.095 nan 8.270 nan 0.000 0.469 49 A N 1.126 123.956 122.820 0.016 0.000 2.425 49 A HA 0.156 4.476 4.320 -0.000 0.000 0.249 49 A C -0.083 177.520 177.584 0.032 0.000 1.084 49 A CA 0.096 52.147 52.037 0.025 0.000 0.781 49 A CB -0.159 18.857 19.000 0.026 0.000 1.019 49 A HN 0.927 nan 8.150 nan 0.000 0.490 50 E N -0.905 119.322 120.200 0.045 0.000 3.413 50 E HA -0.195 4.155 4.350 -0.000 0.000 0.300 50 E C 0.107 176.745 176.600 0.062 0.000 0.891 50 E CA 1.211 57.648 56.400 0.061 0.000 1.050 50 E CB -1.365 28.365 29.700 0.051 0.000 1.534 50 E HN 0.892 nan 8.360 nan 0.000 0.436 51 E N 0.630 120.860 120.200 0.049 0.000 2.301 51 E HA 0.246 4.596 4.350 -0.000 0.000 0.275 51 E C 0.177 176.813 176.600 0.060 0.000 1.030 51 E CA -0.576 55.849 56.400 0.041 0.000 0.852 51 E CB 0.710 30.420 29.700 0.017 0.000 1.060 51 E HN -0.036 nan 8.360 nan 0.000 0.401 52 M N 3.455 123.094 119.600 0.064 0.000 2.243 52 M HA 0.132 4.612 4.480 -0.000 0.000 0.341 52 M C -0.157 176.158 176.300 0.025 0.000 1.130 52 M CA -0.040 55.314 55.300 0.089 0.000 1.162 52 M CB 0.859 33.500 32.600 0.068 0.000 1.497 52 M HN 0.510 nan 8.290 nan 0.000 0.456 53 V N 0.571 120.483 119.914 -0.002 0.000 3.160 53 V HA 0.683 4.803 4.120 -0.000 0.000 0.310 53 V C -0.839 175.140 176.094 -0.192 0.000 1.181 53 V CA -0.937 61.287 62.300 -0.127 0.000 1.047 53 V CB 2.500 34.197 31.823 -0.210 0.000 1.068 53 V HN 0.825 nan 8.190 nan 0.000 0.441 54 E N 0.831 120.864 120.200 -0.278 0.000 2.238 54 E HA 0.581 4.931 4.350 -0.000 0.000 0.267 54 E C -1.836 174.524 176.600 -0.400 0.000 0.887 54 E CA -0.446 55.820 56.400 -0.222 0.000 0.769 54 E CB 2.584 32.241 29.700 -0.070 0.000 1.187 54 E HN 0.629 nan 8.360 nan 0.000 0.416 55 F N 0.471 120.446 119.950 0.041 0.000 2.399 55 F HA 0.122 4.649 4.527 -0.000 0.000 0.328 55 F C 1.816 177.633 175.800 0.028 0.000 1.084 55 F CA -0.294 57.725 58.000 0.032 0.000 1.053 55 F CB 1.401 40.421 39.000 0.033 0.000 1.209 55 F HN 0.422 nan 8.300 nan 0.000 0.502 56 S N 0.280 116.107 115.700 0.211 0.000 2.413 56 S HA -0.229 4.241 4.470 -0.000 0.000 0.237 56 S C 1.630 176.297 174.600 0.112 0.000 1.044 56 S CA 1.889 60.162 58.200 0.122 0.000 1.024 56 S CB -0.541 62.724 63.200 0.107 0.000 0.829 56 S HN 0.682 nan 8.310 nan 0.000 0.475 57 S N 0.301 116.089 115.700 0.146 0.000 2.743 57 S HA 0.445 4.915 4.470 -0.000 0.000 0.230 57 S C 1.333 176.001 174.600 0.113 0.000 0.950 57 S CA 0.293 58.557 58.200 0.107 0.000 0.976 57 S CB -0.160 63.088 63.200 0.081 0.000 0.779 57 S HN 0.743 nan 8.310 nan 0.000 0.487 58 G N 0.540 109.415 108.800 0.124 0.000 2.180 58 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.263 58 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.263 58 G C -0.069 174.920 174.900 0.148 0.000 0.989 58 G CA 0.404 45.570 45.100 0.109 0.000 0.692 58 G HN 0.530 nan 8.290 nan 0.000 0.526 59 L N 0.032 121.389 121.223 0.223 0.000 2.418 59 L HA 0.688 5.028 4.340 -0.000 0.000 0.265 59 L C 0.639 177.760 176.870 0.419 0.000 1.143 59 L CA -0.159 54.843 54.840 0.270 0.000 0.809 59 L CB 0.955 43.131 42.059 0.195 0.000 1.124 59 L HN 0.203 nan 8.230 nan 0.000 0.456 60 K N 0.857 121.494 120.400 0.396 0.000 2.221 60 K HA 0.825 5.145 4.320 -0.000 0.000 0.243 60 K C -0.568 176.381 176.600 0.582 0.000 0.968 60 K CA -0.689 55.860 56.287 0.437 0.000 0.846 60 K CB 1.843 34.542 32.500 0.332 0.000 1.141 60 K HN 0.797 nan 8.250 nan 0.000 0.434 61 G N 0.726 109.819 108.800 0.488 0.000 2.684 61 G HA2 0.513 4.473 3.960 -0.000 0.000 0.290 61 G HA3 0.513 4.473 3.960 -0.000 0.000 0.290 61 G C -1.830 173.213 174.900 0.238 0.000 1.425 61 G CA -0.753 44.528 45.100 0.301 0.000 0.822 61 G HN 0.508 nan 8.290 nan 0.000 0.482 62 M N 0.893 120.517 119.600 0.039 0.000 2.383 62 M HA 0.569 5.049 4.480 -0.000 0.000 0.325 62 M C -0.514 175.825 176.300 0.064 0.000 1.092 62 M CA -0.562 54.819 55.300 0.135 0.000 0.961 62 M CB 1.809 34.537 32.600 0.214 0.000 1.672 62 M HN 0.345 nan 8.290 nan 0.000 0.438 63 S N 4.778 120.519 115.700 0.067 0.000 2.423 63 S HA 0.125 4.595 4.470 -0.000 0.000 0.302 63 S C 0.559 175.186 174.600 0.046 0.000 1.143 63 S CA -0.535 57.691 58.200 0.043 0.000 1.080 63 S CB 0.373 63.590 63.200 0.027 0.000 1.081 63 S HN 0.700 nan 8.310 nan 0.000 0.522 64 L N 4.958 126.203 121.223 0.038 0.000 2.116 64 L HA 0.281 4.621 4.340 -0.000 0.000 0.200 64 L C 0.185 177.074 176.870 0.033 0.000 1.084 64 L CA 1.501 56.364 54.840 0.039 0.000 0.766 64 L CB -0.118 41.956 42.059 0.026 0.000 0.930 64 L HN 0.457 nan 8.230 nan 0.000 0.453 65 N N -0.266 118.450 118.700 0.026 0.000 2.408 65 N HA 0.471 5.211 4.740 -0.000 0.000 0.280 65 N C -1.386 174.137 175.510 0.021 0.000 1.002 65 N CA -0.235 52.828 53.050 0.023 0.000 0.907 65 N CB 1.214 39.712 38.487 0.018 0.000 1.161 65 N HN 0.050 nan 8.380 nan 0.000 0.488 66 L N 2.196 123.431 121.223 0.019 0.000 2.297 66 L HA 0.390 4.730 4.340 -0.000 0.000 0.277 66 L C -0.085 176.794 176.870 0.015 0.000 1.040 66 L CA -0.372 54.477 54.840 0.016 0.000 0.867 66 L CB 0.375 42.442 42.059 0.012 0.000 1.244 66 L HN 0.461 nan 8.230 nan 0.000 0.433 67 E N 3.329 123.540 120.200 0.018 0.000 2.222 67 E HA 0.296 4.646 4.350 -0.000 0.000 0.267 67 E C -1.634 174.978 176.600 0.020 0.000 0.963 67 E CA -1.885 54.526 56.400 0.019 0.000 0.837 67 E CB 1.506 31.219 29.700 0.021 0.000 1.183 67 E HN 0.238 nan 8.360 nan 0.000 0.403 68 P HA -0.174 nan 4.420 nan 0.000 0.221 68 P C -0.426 176.893 177.300 0.031 0.000 1.141 68 P CA 1.451 64.563 63.100 0.021 0.000 0.794 68 P CB 0.022 31.733 31.700 0.019 0.000 0.764 69 D N -2.746 117.680 120.400 0.043 0.000 3.120 69 D HA 0.163 4.803 4.640 -0.000 0.000 0.331 69 D C -0.424 175.941 176.300 0.108 0.000 1.595 69 D CA -0.745 53.301 54.000 0.076 0.000 0.771 69 D CB -1.206 39.640 40.800 0.078 0.000 1.274 69 D HN 0.277 nan 8.370 nan 0.000 0.503 70 N N -1.961 116.782 118.700 0.072 0.000 4.574 70 N HA 0.303 5.043 4.740 -0.000 0.000 0.208 70 N C -2.272 173.263 175.510 0.042 0.000 1.237 70 N CA -0.968 52.127 53.050 0.075 0.000 0.836 70 N CB 0.753 39.291 38.487 0.085 0.000 1.504 70 N HN -0.112 nan 8.380 nan 0.000 0.492 71 V N 0.280 120.219 119.914 0.041 0.000 2.444 71 V HA 0.780 4.900 4.120 -0.000 0.000 0.294 71 V C 0.627 176.746 176.094 0.042 0.000 1.022 71 V CA -0.323 61.995 62.300 0.031 0.000 0.850 71 V CB 1.276 33.109 31.823 0.017 0.000 0.992 71 V HN 0.909 nan 8.190 nan 0.000 0.426 72 G N 4.013 112.834 108.800 0.034 0.000 2.351 72 G HA2 0.486 4.446 3.960 -0.000 0.000 0.287 72 G HA3 0.486 4.446 3.960 -0.000 0.000 0.287 72 G C -0.581 174.341 174.900 0.037 0.000 1.159 72 G CA -0.106 45.014 45.100 0.032 0.000 0.929 72 G HN 0.519 nan 8.290 nan 0.000 0.435 73 V N 3.338 123.288 119.914 0.060 0.000 2.483 73 V HA 0.243 4.363 4.120 -0.000 0.000 0.295 73 V C 0.147 176.255 176.094 0.024 0.000 1.035 73 V CA -0.707 61.639 62.300 0.077 0.000 0.896 73 V CB 2.015 33.948 31.823 0.183 0.000 0.986 73 V HN 0.467 nan 8.190 nan 0.000 0.447 74 V N 5.971 125.850 119.914 -0.058 0.000 2.339 74 V HA 0.183 4.303 4.120 -0.000 0.000 0.261 74 V C 0.208 176.092 176.094 -0.349 0.000 1.058 74 V CA -0.302 61.884 62.300 -0.190 0.000 0.897 74 V CB 1.310 33.001 31.823 -0.220 0.000 1.052 74 V HN 0.631 nan 8.190 nan 0.000 0.480 75 V N 6.485 126.263 119.914 -0.227 0.000 2.521 75 V HA 0.133 4.253 4.120 -0.000 0.000 0.286 75 V C 0.581 176.547 176.094 -0.213 0.000 1.034 75 V CA 0.112 62.297 62.300 -0.191 0.000 1.045 75 V CB 0.482 32.165 31.823 -0.233 0.000 0.974 75 V HN 0.736 nan 8.190 nan 0.000 0.480 76 F N 4.210 124.227 119.950 0.112 0.000 2.843 76 F HA 0.520 5.047 4.527 -0.000 0.000 0.290 76 F C 1.184 177.026 175.800 0.069 0.000 1.221 76 F CA 0.312 58.374 58.000 0.102 0.000 1.413 76 F CB -0.097 38.970 39.000 0.111 0.000 1.019 76 F HN 0.662 nan 8.300 nan 0.000 0.512 77 G N -0.620 108.267 108.800 0.145 0.000 2.570 77 G HA2 0.082 4.042 3.960 -0.000 0.000 0.310 77 G HA3 0.082 4.042 3.960 -0.000 0.000 0.310 77 G C -1.482 173.433 174.900 0.026 0.000 1.266 77 G CA -0.945 44.212 45.100 0.094 0.000 0.825 77 G HN -0.085 nan 8.290 nan 0.000 0.483 78 N N 1.390 120.096 118.700 0.012 0.000 2.475 78 N HA 0.104 4.844 4.740 -0.000 0.000 0.267 78 N C 0.562 176.038 175.510 -0.056 0.000 1.169 78 N CA 0.020 53.062 53.050 -0.014 0.000 0.947 78 N CB 1.103 39.587 38.487 -0.004 0.000 1.061 78 N HN 0.498 nan 8.380 nan 0.000 0.466 79 D N 3.207 123.561 120.400 -0.076 0.000 2.352 79 D HA -0.133 4.507 4.640 -0.000 0.000 0.232 79 D C 1.192 177.435 176.300 -0.094 0.000 1.055 79 D CA 0.258 54.185 54.000 -0.121 0.000 0.891 79 D CB 0.030 40.749 40.800 -0.135 0.000 0.897 79 D HN 0.735 nan 8.370 nan 0.000 0.529 80 K N 1.188 121.552 120.400 -0.060 0.000 2.097 80 K HA -0.101 4.219 4.320 -0.000 0.000 0.205 80 K C 2.130 178.702 176.600 -0.046 0.000 1.050 80 K CA 0.604 56.865 56.287 -0.044 0.000 0.938 80 K CB -0.466 32.019 32.500 -0.025 0.000 0.718 80 K HN 0.131 nan 8.250 nan 0.000 0.442 81 L N 1.142 122.334 121.223 -0.053 0.000 2.131 81 L HA 0.003 4.343 4.340 -0.000 0.000 0.210 81 L C 1.348 178.180 176.870 -0.063 0.000 1.092 81 L CA 0.626 55.439 54.840 -0.045 0.000 0.759 81 L CB -0.615 41.423 42.059 -0.036 0.000 0.903 81 L HN 0.173 nan 8.230 nan 0.000 0.435 82 I N 0.126 120.622 120.570 -0.122 0.000 2.532 82 I HA 0.181 4.351 4.170 -0.000 0.000 0.292 82 I C 0.002 176.076 176.117 -0.071 0.000 1.014 82 I CA -0.064 61.152 61.300 -0.139 0.000 1.340 82 I CB 1.116 38.922 38.000 -0.325 0.000 1.422 82 I HN 0.040 nan 8.210 nan 0.000 0.528 83 K N 3.676 124.060 120.400 -0.026 0.000 2.480 83 K HA 0.343 4.663 4.320 -0.000 0.000 0.258 83 K C -1.018 175.590 176.600 0.014 0.000 0.990 83 K CA -0.993 55.289 56.287 -0.008 0.000 0.857 83 K CB 1.953 34.453 32.500 0.001 0.000 1.384 83 K HN 0.507 nan 8.250 nan 0.000 0.446 84 E N 0.271 120.478 120.200 0.011 0.000 2.465 84 E HA 0.028 4.378 4.350 -0.000 0.000 0.260 84 E C 0.528 177.148 176.600 0.033 0.000 0.980 84 E CA 1.405 57.817 56.400 0.021 0.000 0.927 84 E CB 0.069 29.775 29.700 0.010 0.000 0.934 84 E HN 0.754 nan 8.360 nan 0.000 0.459 85 G N 4.130 112.959 108.800 0.049 0.000 2.258 85 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.233 85 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.233 85 G C -0.084 174.857 174.900 0.069 0.000 1.006 85 G CA 0.047 45.179 45.100 0.053 0.000 0.620 85 G HN 0.671 nan 8.290 nan 0.000 0.511 86 D N 0.700 121.149 120.400 0.082 0.000 2.474 86 D HA 0.318 4.958 4.640 -0.000 0.000 0.232 86 D C 0.747 177.118 176.300 0.117 0.000 1.177 86 D CA 0.210 54.274 54.000 0.107 0.000 0.876 86 D CB 0.490 41.378 40.800 0.146 0.000 1.208 86 D HN 0.224 nan 8.370 nan 0.000 0.464 87 I N 1.215 121.843 120.570 0.096 0.000 2.428 87 I HA 0.105 4.275 4.170 -0.000 0.000 0.289 87 I C -0.137 176.000 176.117 0.034 0.000 1.019 87 I CA -0.204 61.131 61.300 0.058 0.000 1.351 87 I CB 1.310 39.329 38.000 0.032 0.000 1.412 87 I HN 0.002 nan 8.210 nan 0.000 0.513 88 V N 7.055 126.948 119.914 -0.036 0.000 2.444 88 V HA 0.443 4.563 4.120 -0.000 0.000 0.294 88 V C -0.219 175.778 176.094 -0.160 0.000 1.022 88 V CA -0.961 61.223 62.300 -0.194 0.000 0.850 88 V CB 1.422 33.083 31.823 -0.270 0.000 0.992 88 V HN 0.581 nan 8.190 nan 0.000 0.426 89 K N 4.332 124.626 120.400 -0.177 0.000 2.207 89 K HA 0.647 4.967 4.320 -0.000 0.000 0.255 89 K C -0.056 176.473 176.600 -0.119 0.000 0.941 89 K CA -0.870 55.349 56.287 -0.114 0.000 0.825 89 K CB 2.519 34.975 32.500 -0.073 0.000 1.119 89 K HN 0.578 nan 8.250 nan 0.000 0.430 90 R N 0.039 120.489 120.500 -0.084 0.000 2.995 90 R HA 0.064 4.404 4.340 -0.000 0.000 0.287 90 R C 1.011 177.280 176.300 -0.051 0.000 1.168 90 R CA 0.446 56.507 56.100 -0.066 0.000 1.183 90 R CB 0.060 30.332 30.300 -0.047 0.000 1.157 90 R HN 0.847 nan 8.270 nan 0.000 0.577 91 T N -4.801 109.733 114.554 -0.034 0.000 3.328 91 T HA 0.156 4.506 4.350 -0.000 0.000 0.297 91 T C 1.145 175.836 174.700 -0.014 0.000 0.882 91 T CA 0.197 62.283 62.100 -0.022 0.000 0.906 91 T CB 0.465 69.324 68.868 -0.015 0.000 1.210 91 T HN 0.836 nan 8.240 nan 0.000 0.631 92 G N 1.652 110.443 108.800 -0.015 0.000 2.225 92 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.272 92 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.272 92 G C 0.294 175.191 174.900 -0.005 0.000 0.996 92 G CA 0.247 45.341 45.100 -0.010 0.000 0.710 92 G HN 1.558 nan 8.290 nan 0.000 0.522 93 A N 0.262 123.081 122.820 -0.002 0.000 2.318 93 A HA 0.735 5.055 4.320 -0.000 0.000 0.317 93 A C 0.328 177.919 177.584 0.011 0.000 1.159 93 A CA -0.774 51.264 52.037 0.002 0.000 0.799 93 A CB 0.897 19.896 19.000 -0.002 0.000 1.194 93 A HN 0.400 nan 8.150 nan 0.000 0.479 94 I N 2.587 123.163 120.570 0.011 0.000 2.648 94 I HA 0.002 4.172 4.170 -0.000 0.000 0.284 94 I C 0.782 176.909 176.117 0.016 0.000 1.153 94 I CA 0.079 61.391 61.300 0.018 0.000 1.426 94 I CB 0.646 38.653 38.000 0.012 0.000 1.381 94 I HN 0.405 nan 8.210 nan 0.000 0.571 95 V N 7.402 127.336 119.914 0.033 0.000 2.800 95 V HA -0.146 3.974 4.120 -0.000 0.000 0.299 95 V C 0.338 176.420 176.094 -0.022 0.000 1.151 95 V CA 0.697 63.006 62.300 0.015 0.000 1.297 95 V CB -0.829 31.020 31.823 0.043 0.000 0.835 95 V HN 0.963 nan 8.190 nan 0.000 0.484 96 D N 3.932 124.308 120.400 -0.040 0.000 2.752 96 D HA 0.774 5.414 4.640 -0.000 0.000 0.313 96 D C -0.649 175.616 176.300 -0.057 0.000 1.225 96 D CA -0.362 53.614 54.000 -0.040 0.000 0.976 96 D CB 2.174 42.959 40.800 -0.025 0.000 1.443 96 D HN 0.614 nan 8.370 nan 0.000 0.515 97 V N -5.850 114.035 119.914 -0.049 0.000 3.178 97 V HA 0.661 4.781 4.120 -0.000 0.000 0.302 97 V C -3.021 173.041 176.094 -0.054 0.000 1.262 97 V CA -2.179 60.087 62.300 -0.057 0.000 1.030 97 V CB 1.569 33.355 31.823 -0.061 0.000 1.074 97 V HN 0.513 nan 8.190 nan 0.000 0.438 98 P HA 0.262 nan 4.420 nan 0.000 0.263 98 P C -0.661 176.580 177.300 -0.098 0.000 1.175 98 P CA 0.412 63.468 63.100 -0.074 0.000 0.761 98 P CB 0.725 32.385 31.700 -0.068 0.000 0.794 99 V N 2.454 122.283 119.914 -0.143 0.000 2.971 99 V HA 0.880 5.000 4.120 -0.000 0.000 0.309 99 V C 0.237 176.067 176.094 -0.441 0.000 1.130 99 V CA 0.285 62.446 62.300 -0.232 0.000 0.964 99 V CB 2.210 33.946 31.823 -0.145 0.000 1.029 99 V HN 0.981 nan 8.190 nan 0.000 0.427 100 G N 2.513 110.815 108.800 -0.831 0.000 2.340 100 G HA2 0.042 4.002 3.960 -0.000 0.000 0.527 100 G HA3 0.042 4.002 3.960 -0.000 0.000 0.527 100 G C -0.041 174.364 174.900 -0.825 0.000 1.381 100 G CA -0.147 44.222 45.100 -1.219 0.000 1.001 100 G HN 0.611 nan 8.290 nan 0.000 0.626 101 E N 0.194 119.986 120.200 -0.680 0.000 2.267 101 E HA -0.151 4.199 4.350 -0.000 0.000 0.197 101 E C 1.812 178.364 176.600 -0.080 0.000 0.998 101 E CA 1.312 57.586 56.400 -0.210 0.000 0.830 101 E CB 0.066 29.732 29.700 -0.057 0.000 0.751 101 E HN 0.661 nan 8.360 nan 0.000 0.491 102 E N 0.587 120.711 120.200 -0.127 0.000 2.485 102 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 102 E C 1.318 177.891 176.600 -0.045 0.000 1.098 102 E CA 0.328 56.690 56.400 -0.062 0.000 0.878 102 E CB 0.037 29.700 29.700 -0.062 0.000 0.939 102 E HN 0.223 nan 8.360 nan 0.000 0.503 103 L N 0.302 121.500 121.223 -0.041 0.000 2.408 103 L HA 0.165 4.505 4.340 -0.000 0.000 0.215 103 L C 1.067 177.958 176.870 0.035 0.000 1.081 103 L CA 0.261 55.094 54.840 -0.010 0.000 0.840 103 L CB -0.143 41.904 42.059 -0.019 0.000 1.002 103 L HN 0.095 nan 8.230 nan 0.000 0.468 104 L N 0.553 121.822 121.223 0.076 0.000 2.615 104 L HA 0.090 4.430 4.340 -0.000 0.000 0.284 104 L C 1.478 178.380 176.870 0.054 0.000 1.237 104 L CA 0.967 55.870 54.840 0.104 0.000 0.905 104 L CB -0.464 41.699 42.059 0.173 0.000 1.149 104 L HN 0.517 nan 8.230 nan 0.000 0.499 105 G N 1.837 110.654 108.800 0.027 0.000 2.179 105 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.260 105 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.260 105 G C 0.247 175.145 174.900 -0.003 0.000 0.977 105 G CA -0.307 44.791 45.100 -0.003 0.000 0.641 105 G HN 0.461 nan 8.290 nan 0.000 0.533 106 R N -0.357 120.147 120.500 0.007 0.000 2.604 106 R HA 0.672 5.012 4.340 -0.000 0.000 0.287 106 R C -0.183 176.121 176.300 0.007 0.000 0.970 106 R CA -0.934 55.168 56.100 0.003 0.000 0.946 106 R CB 1.682 31.983 30.300 0.002 0.000 1.127 106 R HN 0.214 nan 8.270 nan 0.000 0.473 107 V N 3.438 123.355 119.914 0.005 0.000 2.313 107 V HA 0.302 4.422 4.120 -0.000 0.000 0.278 107 V C 0.288 176.388 176.094 0.011 0.000 1.017 107 V CA -0.754 61.553 62.300 0.012 0.000 0.823 107 V CB 1.159 32.988 31.823 0.010 0.000 1.010 107 V HN 0.563 nan 8.190 nan 0.000 0.443 108 V N 1.662 121.583 119.914 0.012 0.000 2.994 108 V HA 0.816 4.936 4.120 -0.000 0.000 0.318 108 V C -0.155 175.943 176.094 0.007 0.000 1.085 108 V CA -0.790 61.513 62.300 0.005 0.000 0.998 108 V CB 2.101 33.921 31.823 -0.005 0.000 1.063 108 V HN 0.750 nan 8.190 nan 0.000 0.447 109 D N 1.822 122.223 120.400 0.001 0.000 2.451 109 D HA 0.446 5.086 4.640 -0.000 0.000 0.259 109 D C 1.107 177.397 176.300 -0.016 0.000 1.201 109 D CA -0.070 53.931 54.000 0.002 0.000 1.028 109 D CB 1.256 42.061 40.800 0.008 0.000 1.095 109 D HN 0.846 nan 8.370 nan 0.000 0.539 110 A N -0.525 122.283 122.820 -0.019 0.000 2.178 110 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 110 A C 2.083 179.603 177.584 -0.107 0.000 1.157 110 A CA 0.834 52.840 52.037 -0.051 0.000 0.689 110 A CB -0.771 18.208 19.000 -0.035 0.000 0.787 110 A HN 0.547 nan 8.150 nan 0.000 0.465 111 L N -2.600 118.563 121.223 -0.099 0.000 2.590 111 L HA 0.276 4.616 4.340 -0.000 0.000 0.227 111 L C 1.744 178.564 176.870 -0.084 0.000 1.099 111 L CA 0.638 55.400 54.840 -0.130 0.000 0.872 111 L CB 0.294 42.281 42.059 -0.120 0.000 1.088 111 L HN 0.533 nan 8.230 nan 0.000 0.479 112 G N -0.563 108.204 108.800 -0.056 0.000 2.218 112 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 112 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 112 G C 0.115 174.997 174.900 -0.029 0.000 0.994 112 G CA -0.456 44.619 45.100 -0.042 0.000 0.637 112 G HN 0.286 nan 8.290 nan 0.000 0.505 113 N N 1.711 120.397 118.700 -0.024 0.000 2.458 113 N HA 0.449 5.189 4.740 -0.000 0.000 0.258 113 N C 0.710 176.216 175.510 -0.007 0.000 1.219 113 N CA 0.838 53.881 53.050 -0.012 0.000 0.902 113 N CB 1.011 39.496 38.487 -0.003 0.000 1.076 113 N HN 0.850 nan 8.380 nan 0.000 0.455 114 A N 1.901 124.718 122.820 -0.005 0.000 2.462 114 A HA 0.279 4.599 4.320 -0.000 0.000 0.243 114 A C 1.295 178.881 177.584 0.003 0.000 1.076 114 A CA -0.244 51.791 52.037 -0.002 0.000 0.773 114 A CB -0.268 18.730 19.000 -0.004 0.000 1.010 114 A HN 0.842 nan 8.150 nan 0.000 0.493 115 I N -1.605 118.968 120.570 0.005 0.000 4.310 115 I HA 0.260 4.430 4.170 -0.000 0.000 0.328 115 I C 0.046 176.167 176.117 0.007 0.000 1.406 115 I CA -0.023 61.283 61.300 0.009 0.000 1.174 115 I CB 0.509 38.517 38.000 0.014 0.000 1.279 115 I HN 0.437 nan 8.210 nan 0.000 0.471 116 D N 1.180 121.582 120.400 0.004 0.000 2.339 116 D HA 0.155 4.795 4.640 -0.000 0.000 0.217 116 D C 1.717 178.017 176.300 -0.000 0.000 1.050 116 D CA 0.598 54.598 54.000 0.000 0.000 0.856 116 D CB -0.036 40.762 40.800 -0.003 0.000 0.922 116 D HN 0.418 nan 8.370 nan 0.000 0.518 117 G N 0.978 109.779 108.800 0.001 0.000 2.203 117 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.263 117 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.263 117 G C 0.654 175.554 174.900 -0.001 0.000 1.012 117 G CA 0.426 45.527 45.100 0.001 0.000 0.749 117 G HN 0.448 nan 8.290 nan 0.000 0.512 118 K N 0.418 120.817 120.400 -0.002 0.000 2.596 118 K HA 0.438 4.758 4.320 -0.000 0.000 0.211 118 K C 1.274 177.872 176.600 -0.003 0.000 1.046 118 K CA 0.370 56.655 56.287 -0.003 0.000 1.202 118 K CB -0.096 32.401 32.500 -0.005 0.000 0.925 118 K HN 1.413 nan 8.250 nan 0.000 0.486 119 G N 2.710 111.509 108.800 -0.002 0.000 2.716 119 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.686 119 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.686 119 G C -2.732 172.165 174.900 -0.005 0.000 1.337 119 G CA -1.327 43.772 45.100 -0.003 0.000 0.829 119 G HN 0.025 nan 8.290 nan 0.000 0.599 120 P HA 0.238 nan 4.420 nan 0.000 0.266 120 P C 0.548 177.840 177.300 -0.013 0.000 1.186 120 P CA -0.117 62.978 63.100 -0.009 0.000 0.767 120 P CB 0.334 32.029 31.700 -0.008 0.000 0.820 121 I N 1.455 122.014 120.570 -0.018 0.000 2.396 121 I HA 0.138 4.308 4.170 -0.000 0.000 0.289 121 I C 1.428 177.527 176.117 -0.030 0.000 1.056 121 I CA 0.019 61.303 61.300 -0.025 0.000 1.365 121 I CB 0.136 38.117 38.000 -0.032 0.000 1.407 121 I HN 0.409 nan 8.210 nan 0.000 0.509 122 G N 4.660 113.441 108.800 -0.031 0.000 3.101 122 G HA2 0.166 4.126 3.960 -0.000 0.000 0.272 122 G HA3 0.166 4.126 3.960 -0.000 0.000 0.272 122 G C 0.253 175.124 174.900 -0.047 0.000 0.801 122 G CA -0.123 44.958 45.100 -0.032 0.000 1.978 122 G HN 0.566 nan 8.290 nan 0.000 0.591 123 S N 0.559 116.227 115.700 -0.055 0.000 2.499 123 S HA 0.312 4.782 4.470 -0.000 0.000 0.279 123 S C 1.312 175.874 174.600 -0.064 0.000 1.219 123 S CA -0.632 57.522 58.200 -0.076 0.000 1.062 123 S CB 1.212 64.359 63.200 -0.088 0.000 0.978 123 S HN 0.575 nan 8.310 nan 0.000 0.489 124 K N 2.443 122.800 120.400 -0.072 0.000 2.099 124 K HA 0.261 4.581 4.320 -0.000 0.000 0.203 124 K C 0.784 177.357 176.600 -0.045 0.000 1.047 124 K CA 0.531 56.789 56.287 -0.049 0.000 0.963 124 K CB 0.005 32.482 32.500 -0.038 0.000 0.759 124 K HN 0.623 nan 8.250 nan 0.000 0.451 125 A N 1.476 124.260 122.820 -0.061 0.000 2.279 125 A HA 0.507 4.827 4.320 -0.000 0.000 0.303 125 A C -0.362 177.189 177.584 -0.055 0.000 1.108 125 A CA -0.410 51.602 52.037 -0.043 0.000 0.830 125 A CB 0.691 19.681 19.000 -0.017 0.000 1.106 125 A HN 0.142 nan 8.150 nan 0.000 0.493 126 R N -0.724 119.756 120.500 -0.034 0.000 2.888 126 R HA 0.774 5.114 4.340 -0.000 0.000 0.264 126 R C -0.842 175.446 176.300 -0.020 0.000 1.045 126 R CA -0.847 55.233 56.100 -0.034 0.000 0.962 126 R CB 2.316 32.599 30.300 -0.029 0.000 1.210 126 R HN 0.825 nan 8.270 nan 0.000 0.479 127 R N 0.684 121.172 120.500 -0.020 0.000 2.579 127 R HA 0.246 4.586 4.340 -0.000 0.000 0.260 127 R C -1.232 175.062 176.300 -0.011 0.000 1.103 127 R CA -0.665 55.430 56.100 -0.008 0.000 0.942 127 R CB 1.460 31.762 30.300 0.003 0.000 1.251 127 R HN 0.539 nan 8.270 nan 0.000 0.450 128 R N 1.843 122.338 120.500 -0.007 0.000 2.679 128 R HA 0.022 4.362 4.340 -0.000 0.000 0.268 128 R C 1.398 177.691 176.300 -0.012 0.000 1.044 128 R CA 0.408 56.501 56.100 -0.012 0.000 1.105 128 R CB 0.709 31.003 30.300 -0.010 0.000 0.989 128 R HN 0.576 nan 8.270 nan 0.000 0.447 129 V N 0.113 120.012 119.914 -0.025 0.000 2.951 129 V HA 0.103 4.223 4.120 -0.000 0.000 0.255 129 V C 1.172 177.241 176.094 -0.042 0.000 1.088 129 V CA 1.600 63.890 62.300 -0.016 0.000 1.109 129 V CB 0.023 31.826 31.823 -0.033 0.000 0.724 129 V HN 0.843 nan 8.190 nan 0.000 0.471 130 G N 0.661 109.415 108.800 -0.077 0.000 3.702 130 G HA2 0.437 4.397 3.960 -0.000 0.000 0.288 130 G HA3 0.437 4.397 3.960 -0.000 0.000 0.288 130 G C 0.209 175.074 174.900 -0.057 0.000 1.193 130 G CA -0.466 44.562 45.100 -0.119 0.000 0.952 130 G HN 0.444 nan 8.290 nan 0.000 0.544 131 L N 0.537 121.747 121.223 -0.022 0.000 2.456 131 L HA 0.220 4.560 4.340 -0.000 0.000 0.272 131 L C 0.895 177.765 176.870 -0.001 0.000 1.189 131 L CA -0.378 54.459 54.840 -0.005 0.000 0.846 131 L CB 0.874 42.938 42.059 0.007 0.000 1.111 131 L HN 0.087 nan 8.230 nan 0.000 0.475 132 K N 2.267 122.672 120.400 0.008 0.000 2.326 132 K HA 0.372 4.692 4.320 -0.000 0.000 0.275 132 K C -0.037 176.570 176.600 0.012 0.000 1.018 132 K CA -0.327 55.971 56.287 0.018 0.000 0.962 132 K CB 0.972 33.488 32.500 0.027 0.000 0.953 132 K HN 0.649 nan 8.250 nan 0.000 0.475 133 A N 4.904 127.733 122.820 0.014 0.000 2.386 133 A HA 0.296 4.616 4.320 -0.000 0.000 0.246 133 A C -2.126 175.450 177.584 -0.013 0.000 1.089 133 A CA -1.133 50.906 52.037 0.004 0.000 0.790 133 A CB -0.535 18.468 19.000 0.006 0.000 1.042 133 A HN 0.677 nan 8.150 nan 0.000 0.497 134 P HA 0.217 nan 4.420 nan 0.000 0.268 134 P C 0.656 177.913 177.300 -0.072 0.000 1.205 134 P CA 0.441 63.496 63.100 -0.074 0.000 0.771 134 P CB 0.367 32.001 31.700 -0.110 0.000 0.858 135 G N 1.349 110.096 108.800 -0.089 0.000 2.468 135 G HA2 0.123 4.083 3.960 -0.000 0.000 0.264 135 G HA3 0.123 4.083 3.960 -0.000 0.000 0.264 135 G C 1.091 175.944 174.900 -0.079 0.000 1.460 135 G CA -0.495 44.565 45.100 -0.066 0.000 1.060 135 G HN 0.394 nan 8.290 nan 0.000 0.543 136 I N -0.153 120.383 120.570 -0.057 0.000 2.162 136 I HA -0.077 4.093 4.170 -0.000 0.000 0.238 136 I C 2.668 178.744 176.117 -0.068 0.000 1.076 136 I CA 0.412 61.683 61.300 -0.047 0.000 1.353 136 I CB -0.158 37.829 38.000 -0.022 0.000 1.063 136 I HN 0.231 nan 8.210 nan 0.000 0.408 137 I N 1.311 121.839 120.570 -0.070 0.000 2.145 137 I HA -0.214 3.956 4.170 -0.000 0.000 0.244 137 I C -0.148 175.886 176.117 -0.139 0.000 1.075 137 I CA 2.096 63.358 61.300 -0.063 0.000 1.332 137 I CB -2.791 35.202 38.000 -0.012 0.000 1.033 137 I HN 0.216 nan 8.210 nan 0.000 0.410 138 P HA -0.061 nan 4.420 nan 0.000 0.226 138 P C 0.500 177.586 177.300 -0.356 0.000 1.153 138 P CA 0.900 63.526 63.100 -0.791 0.000 0.777 138 P CB 0.023 30.905 31.700 -1.362 0.000 0.794 139 R N -0.268 120.122 120.500 -0.183 0.000 2.546 139 R HA 0.635 4.975 4.340 -0.000 0.000 0.266 139 R C -0.150 176.135 176.300 -0.024 0.000 1.086 139 R CA -0.712 55.339 56.100 -0.082 0.000 1.160 139 R CB 0.585 30.848 30.300 -0.062 0.000 1.138 139 R HN -0.038 nan 8.270 nan 0.000 0.567 140 I N -0.933 119.636 120.570 -0.002 0.000 2.775 140 I HA 0.149 4.319 4.170 -0.000 0.000 0.295 140 I C -0.832 175.290 176.117 0.009 0.000 1.287 140 I CA -0.125 61.183 61.300 0.014 0.000 1.029 140 I CB 2.489 40.508 38.000 0.031 0.000 1.282 140 I HN 0.519 nan 8.210 nan 0.000 0.426 141 S N 4.671 120.376 115.700 0.008 0.000 2.573 141 S HA 0.163 4.633 4.470 -0.000 0.000 0.297 141 S C -0.047 174.554 174.600 0.001 0.000 1.280 141 S CA -0.037 58.165 58.200 0.004 0.000 1.061 141 S CB 0.087 63.290 63.200 0.005 0.000 0.812 141 S HN 0.790 nan 8.310 nan 0.000 0.500 142 V N 3.558 123.469 119.914 -0.005 0.000 2.599 142 V HA 0.276 4.396 4.120 -0.000 0.000 0.300 142 V C 1.073 177.156 176.094 -0.019 0.000 1.034 142 V CA 0.023 62.314 62.300 -0.015 0.000 1.115 142 V CB 0.260 32.069 31.823 -0.024 0.000 0.934 142 V HN 1.008 nan 8.190 nan 0.000 0.485 143 R N 1.541 122.025 120.500 -0.027 0.000 2.555 143 R HA 0.378 4.718 4.340 -0.000 0.000 0.312 143 R C -0.122 176.151 176.300 -0.045 0.000 0.938 143 R CA -0.285 55.799 56.100 -0.026 0.000 1.112 143 R CB 0.409 30.702 30.300 -0.011 0.000 1.535 143 R HN 0.752 nan 8.270 nan 0.000 0.525 144 E N 3.588 123.742 120.200 -0.077 0.000 2.175 144 E HA 0.372 4.722 4.350 -0.000 0.000 0.278 144 E C -2.556 173.964 176.600 -0.133 0.000 0.969 144 E CA -2.448 53.882 56.400 -0.117 0.000 0.796 144 E CB 1.795 31.377 29.700 -0.196 0.000 1.104 144 E HN -0.018 nan 8.360 nan 0.000 0.395 145 P HA 0.009 nan 4.420 nan 0.000 0.271 145 P C -0.618 176.574 177.300 -0.180 0.000 1.218 145 P CA -0.139 62.892 63.100 -0.115 0.000 0.780 145 P CB 0.519 32.170 31.700 -0.081 0.000 0.901 146 M N 2.843 122.352 119.600 -0.152 0.000 2.182 146 M HA 0.127 4.607 4.480 -0.000 0.000 0.285 146 M C -0.456 175.768 176.300 -0.126 0.000 0.956 146 M CA -0.523 54.668 55.300 -0.181 0.000 0.878 146 M CB 0.140 32.655 32.600 -0.142 0.000 1.373 146 M HN 0.312 nan 8.290 nan 0.000 0.393 147 Q N 1.550 121.271 119.800 -0.132 0.000 2.315 147 Q HA 0.086 4.426 4.340 -0.000 0.000 0.289 147 Q C 1.081 177.083 176.000 0.003 0.000 1.044 147 Q CA 0.608 56.397 55.803 -0.022 0.000 0.920 147 Q CB 0.417 29.211 28.738 0.094 0.000 1.214 147 Q HN 0.699 nan 8.270 nan 0.000 0.392 148 T N -1.684 112.881 114.554 0.020 0.000 3.033 148 T HA 0.226 4.576 4.350 -0.000 0.000 0.248 148 T C 1.250 175.976 174.700 0.044 0.000 1.040 148 T CA 0.488 62.602 62.100 0.023 0.000 1.133 148 T CB 0.185 69.059 68.868 0.010 0.000 0.895 148 T HN 0.830 nan 8.240 nan 0.000 0.465 149 G N 1.601 110.430 108.800 0.047 0.000 2.176 149 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.232 149 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.232 149 G C 0.024 174.939 174.900 0.025 0.000 0.986 149 G CA -0.082 45.044 45.100 0.043 0.000 0.643 149 G HN 0.636 nan 8.290 nan 0.000 0.522 150 I N 1.679 122.261 120.570 0.019 0.000 2.304 150 I HA 0.228 4.398 4.170 -0.000 0.000 0.291 150 I C 1.667 177.793 176.117 0.015 0.000 1.018 150 I CA -0.759 60.548 61.300 0.011 0.000 1.260 150 I CB 1.208 39.211 38.000 0.006 0.000 1.390 150 I HN 0.032 nan 8.210 nan 0.000 0.475 151 K N 4.693 125.102 120.400 0.015 0.000 2.015 151 K HA -0.262 4.058 4.320 -0.000 0.000 0.216 151 K C 2.106 178.716 176.600 0.017 0.000 1.052 151 K CA 1.887 58.185 56.287 0.018 0.000 0.937 151 K CB -0.331 32.179 32.500 0.018 0.000 0.719 151 K HN 0.785 nan 8.250 nan 0.000 0.446 152 A N 1.417 124.247 122.820 0.016 0.000 1.873 152 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 152 A C 2.543 180.139 177.584 0.021 0.000 1.193 152 A CA 2.154 54.203 52.037 0.019 0.000 0.629 152 A CB -0.995 18.019 19.000 0.024 0.000 0.826 152 A HN 0.117 nan 8.150 nan 0.000 0.447 153 V N 0.719 120.644 119.914 0.018 0.000 2.261 153 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 153 V C 2.048 178.150 176.094 0.012 0.000 1.047 153 V CA 2.263 64.572 62.300 0.015 0.000 1.015 153 V CB -0.948 30.881 31.823 0.009 0.000 0.642 153 V HN 0.514 nan 8.190 nan 0.000 0.446 154 D N 0.330 120.738 120.400 0.013 0.000 2.310 154 D HA -0.087 4.553 4.640 -0.000 0.000 0.212 154 D C 2.298 178.608 176.300 0.016 0.000 0.965 154 D CA 1.597 55.605 54.000 0.013 0.000 0.879 154 D CB 0.002 40.813 40.800 0.019 0.000 0.921 154 D HN 0.655 nan 8.370 nan 0.000 0.510 155 S N -0.660 115.050 115.700 0.017 0.000 2.506 155 S HA 0.090 4.560 4.470 -0.000 0.000 0.230 155 S C 1.968 176.579 174.600 0.017 0.000 1.066 155 S CA -0.081 58.130 58.200 0.018 0.000 0.940 155 S CB -0.128 63.083 63.200 0.019 0.000 0.818 155 S HN 0.140 nan 8.310 nan 0.000 0.518 156 L N 0.908 122.142 121.223 0.019 0.000 2.470 156 L HA 0.403 4.743 4.340 -0.000 0.000 0.219 156 L C 0.067 176.951 176.870 0.024 0.000 1.071 156 L CA 0.150 55.004 54.840 0.023 0.000 0.850 156 L CB 0.537 42.613 42.059 0.029 0.000 1.040 156 L HN 0.155 nan 8.230 nan 0.000 0.475 157 V N 0.584 120.509 119.914 0.019 0.000 2.562 157 V HA 0.244 4.364 4.120 -0.000 0.000 0.274 157 V C -2.450 173.645 176.094 0.003 0.000 1.075 157 V CA -1.236 61.073 62.300 0.014 0.000 1.204 157 V CB 0.188 32.023 31.823 0.019 0.000 1.478 157 V HN -0.020 nan 8.190 nan 0.000 0.622 158 P HA 0.103 nan 4.420 nan 0.000 0.261 158 P C -0.406 176.884 177.300 -0.017 0.000 1.183 158 P CA 0.433 63.529 63.100 -0.007 0.000 0.761 158 P CB 0.562 32.259 31.700 -0.005 0.000 0.785 159 I N 2.925 123.479 120.570 -0.026 0.000 2.353 159 I HA 0.410 4.580 4.170 -0.000 0.000 0.293 159 I C 1.235 177.321 176.117 -0.051 0.000 0.992 159 I CA -0.554 60.724 61.300 -0.037 0.000 1.268 159 I CB 0.695 38.669 38.000 -0.043 0.000 1.387 159 I HN 0.316 nan 8.210 nan 0.000 0.478 160 G N 5.538 114.308 108.800 -0.050 0.000 2.410 160 G HA2 0.521 4.481 3.960 -0.000 0.000 0.330 160 G HA3 0.521 4.481 3.960 -0.000 0.000 0.330 160 G C -0.248 174.607 174.900 -0.076 0.000 1.142 160 G CA -0.863 44.200 45.100 -0.063 0.000 0.902 160 G HN 0.524 nan 8.290 nan 0.000 0.491 161 R N 0.185 120.619 120.500 -0.110 0.000 2.351 161 R HA 0.405 4.745 4.340 -0.000 0.000 0.318 161 R C 1.110 177.376 176.300 -0.058 0.000 1.055 161 R CA 1.148 57.174 56.100 -0.123 0.000 0.968 161 R CB 0.653 30.802 30.300 -0.252 0.000 0.974 161 R HN 1.058 nan 8.270 nan 0.000 0.439 162 G N 1.829 110.614 108.800 -0.025 0.000 2.163 162 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.213 162 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.213 162 G C 0.025 174.922 174.900 -0.004 0.000 0.991 162 G CA -0.087 45.015 45.100 0.004 0.000 0.653 162 G HN 0.588 nan 8.290 nan 0.000 0.518 163 Q N -0.286 119.503 119.800 -0.017 0.000 2.212 163 Q HA 0.752 5.092 4.340 -0.000 0.000 0.238 163 Q C -0.212 175.780 176.000 -0.013 0.000 0.955 163 Q CA -0.798 54.995 55.803 -0.017 0.000 0.906 163 Q CB 0.631 29.353 28.738 -0.025 0.000 1.215 163 Q HN 0.227 nan 8.270 nan 0.000 0.478 164 R N 1.816 122.307 120.500 -0.014 0.000 2.337 164 R HA 0.311 4.651 4.340 -0.000 0.000 0.319 164 R C -1.526 174.757 176.300 -0.029 0.000 0.954 164 R CA -0.475 55.617 56.100 -0.014 0.000 0.840 164 R CB 1.616 31.907 30.300 -0.014 0.000 1.164 164 R HN 0.537 nan 8.270 nan 0.000 0.472 165 E N 2.905 123.083 120.200 -0.036 0.000 2.224 165 E HA 0.324 4.674 4.350 -0.000 0.000 0.265 165 E C -1.533 175.026 176.600 -0.067 0.000 0.878 165 E CA -0.917 55.452 56.400 -0.052 0.000 0.759 165 E CB 1.121 30.794 29.700 -0.046 0.000 1.164 165 E HN 0.404 nan 8.360 nan 0.000 0.414 166 L N 5.448 126.612 121.223 -0.098 0.000 2.305 166 L HA 0.459 4.798 4.340 -0.000 0.000 0.281 166 L C -1.020 175.769 176.870 -0.136 0.000 1.085 166 L CA -0.343 54.425 54.840 -0.120 0.000 0.813 166 L CB 0.613 42.584 42.059 -0.147 0.000 1.157 166 L HN 0.552 nan 8.230 nan 0.000 0.436 167 I N 7.140 127.649 120.570 -0.102 0.000 2.304 167 I HA 0.349 4.519 4.170 -0.000 0.000 0.291 167 I C -0.133 175.930 176.117 -0.091 0.000 1.018 167 I CA -0.089 61.161 61.300 -0.083 0.000 1.260 167 I CB 0.781 38.755 38.000 -0.043 0.000 1.390 167 I HN 0.659 nan 8.210 nan 0.000 0.475 168 I N 4.861 125.368 120.570 -0.104 0.000 2.647 168 I HA 0.849 5.019 4.170 -0.000 0.000 0.295 168 I C -0.301 175.835 176.117 0.032 0.000 1.078 168 I CA 0.026 61.288 61.300 -0.063 0.000 1.048 168 I CB 2.212 40.135 38.000 -0.129 0.000 1.239 168 I HN 0.709 nan 8.210 nan 0.000 0.421 169 G N 5.048 113.875 108.800 0.045 0.000 2.328 169 G HA2 0.191 4.151 3.960 -0.000 0.000 0.295 169 G HA3 0.191 4.151 3.960 -0.000 0.000 0.295 169 G C -1.922 172.995 174.900 0.028 0.000 1.413 169 G CA -0.721 44.414 45.100 0.058 0.000 0.817 169 G HN 0.495 nan 8.290 nan 0.000 0.546 170 D N 0.040 120.451 120.400 0.019 0.000 2.393 170 D HA 0.336 4.976 4.640 -0.000 0.000 0.246 170 D C 1.026 177.315 176.300 -0.019 0.000 1.275 170 D CA -0.023 53.984 54.000 0.012 0.000 0.979 170 D CB 0.480 41.295 40.800 0.025 0.000 1.101 170 D HN 0.394 nan 8.370 nan 0.000 0.505 171 R N 0.315 120.810 120.500 -0.007 0.000 2.784 171 R HA -0.007 4.333 4.340 -0.000 0.000 0.266 171 R C 0.396 176.657 176.300 -0.065 0.000 1.044 171 R CA -0.070 56.019 56.100 -0.019 0.000 1.151 171 R CB 0.159 30.462 30.300 0.005 0.000 1.037 171 R HN 0.304 nan 8.270 nan 0.000 0.478 172 Q N -0.113 119.636 119.800 -0.085 0.000 2.435 172 Q HA -0.171 4.169 4.340 -0.000 0.000 0.286 172 Q C 0.390 176.105 176.000 -0.474 0.000 1.229 172 Q CA 1.757 57.458 55.803 -0.170 0.000 0.884 172 Q CB -1.582 27.119 28.738 -0.063 0.000 1.245 172 Q HN 0.957 nan 8.270 nan 0.000 0.488 173 T N -5.220 109.058 114.554 -0.460 0.000 3.054 173 T HA 0.442 4.792 4.350 -0.000 0.000 0.255 173 T C 1.099 175.426 174.700 -0.622 0.000 1.035 173 T CA 0.654 62.300 62.100 -0.755 0.000 0.941 173 T CB 1.002 69.664 68.868 -0.344 0.000 1.026 173 T HN 0.784 nan 8.240 nan 0.000 0.533 174 G N 1.737 110.335 108.800 -0.337 0.000 2.140 174 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.211 174 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.211 174 G C 0.595 175.484 174.900 -0.017 0.000 1.013 174 G CA 0.228 45.299 45.100 -0.050 0.000 0.705 174 G HN 0.524 nan 8.290 nan 0.000 0.508 175 K N -0.392 119.985 120.400 -0.039 0.000 1.965 175 K HA -0.031 4.289 4.320 -0.000 0.000 0.214 175 K C 2.648 179.258 176.600 0.018 0.000 1.046 175 K CA 1.951 58.232 56.287 -0.010 0.000 0.944 175 K CB -0.468 32.023 32.500 -0.015 0.000 0.726 175 K HN 0.256 nan 8.250 nan 0.000 0.441 176 T N 1.215 115.792 114.554 0.038 0.000 2.737 176 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 176 T C 2.053 176.781 174.700 0.048 0.000 1.040 176 T CA 1.712 63.863 62.100 0.084 0.000 1.142 176 T CB -0.363 68.574 68.868 0.114 0.000 0.861 176 T HN 0.156 nan 8.240 nan 0.000 0.456 177 S N 0.895 116.603 115.700 0.013 0.000 2.407 177 S HA -0.074 4.396 4.470 -0.000 0.000 0.235 177 S C 1.955 176.536 174.600 -0.033 0.000 1.036 177 S CA 0.963 59.143 58.200 -0.034 0.000 1.013 177 S CB -0.444 62.732 63.200 -0.040 0.000 0.820 177 S HN 0.466 nan 8.310 nan 0.000 0.476 178 I N 1.090 121.658 120.570 -0.002 0.000 2.353 178 I HA -0.164 4.006 4.170 -0.000 0.000 0.248 178 I C 2.630 178.754 176.117 0.013 0.000 1.119 178 I CA 0.874 62.175 61.300 0.000 0.000 1.417 178 I CB -0.466 37.537 38.000 0.006 0.000 1.078 178 I HN 0.277 nan 8.210 nan 0.000 0.421 179 A N 1.506 124.348 122.820 0.038 0.000 1.865 179 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 179 A C 2.175 179.793 177.584 0.055 0.000 1.191 179 A CA 1.458 53.536 52.037 0.070 0.000 0.623 179 A CB -0.610 18.486 19.000 0.159 0.000 0.826 179 A HN 0.264 nan 8.150 nan 0.000 0.444 180 I N 0.756 121.341 120.570 0.026 0.000 2.069 180 I HA -0.254 3.916 4.170 -0.000 0.000 0.237 180 I C 1.940 178.072 176.117 0.025 0.000 1.053 180 I CA 2.002 63.304 61.300 0.003 0.000 1.311 180 I CB -1.987 36.008 38.000 -0.009 0.000 1.030 180 I HN 0.268 nan 8.210 nan 0.000 0.398 181 D N 0.616 121.012 120.400 -0.007 0.000 2.203 181 D HA -0.161 4.479 4.640 -0.000 0.000 0.199 181 D C 2.185 178.510 176.300 0.041 0.000 0.997 181 D CA 1.673 55.677 54.000 0.006 0.000 0.863 181 D CB -0.308 40.472 40.800 -0.033 0.000 0.928 181 D HN 0.342 nan 8.370 nan 0.000 0.458 182 T N 0.328 114.904 114.554 0.037 0.000 2.737 182 T HA -0.047 4.303 4.350 -0.000 0.000 0.265 182 T C 2.174 176.920 174.700 0.077 0.000 1.038 182 T CA 0.535 62.662 62.100 0.045 0.000 1.144 182 T CB -0.194 68.688 68.868 0.024 0.000 0.866 182 T HN 0.165 nan 8.240 nan 0.000 0.434 183 I N 0.608 121.233 120.570 0.091 0.000 2.127 183 I HA -0.173 3.996 4.170 -0.000 0.000 0.241 183 I C 2.327 178.595 176.117 0.251 0.000 1.075 183 I CA 1.469 62.863 61.300 0.157 0.000 1.334 183 I CB -0.422 37.641 38.000 0.106 0.000 1.040 183 I HN 0.195 nan 8.210 nan 0.000 0.405 184 I N 0.866 121.539 120.570 0.172 0.000 2.264 184 I HA -0.337 3.833 4.170 -0.000 0.000 0.248 184 I C 2.244 178.475 176.117 0.190 0.000 1.111 184 I CA 1.716 63.129 61.300 0.188 0.000 1.382 184 I CB -0.422 37.658 38.000 0.133 0.000 1.060 184 I HN 0.327 nan 8.210 nan 0.000 0.418 185 N N 0.219 119.004 118.700 0.141 0.000 2.364 185 N HA -0.234 4.506 4.740 -0.000 0.000 0.183 185 N C 1.813 177.430 175.510 0.178 0.000 1.022 185 N CA 0.922 54.048 53.050 0.126 0.000 0.883 185 N CB 0.110 38.669 38.487 0.120 0.000 0.965 185 N HN 0.146 nan 8.380 nan 0.000 0.438 186 Q N 0.678 120.566 119.800 0.147 0.000 2.224 186 Q HA -0.068 4.272 4.340 -0.000 0.000 0.203 186 Q C 1.639 177.550 176.000 -0.147 0.000 0.970 186 Q CA 0.909 56.734 55.803 0.036 0.000 0.865 186 Q CB -0.237 28.344 28.738 -0.261 0.000 0.922 186 Q HN 0.425 nan 8.270 nan 0.000 0.445 187 K N 0.747 121.086 120.400 -0.101 0.000 2.160 187 K HA -0.207 4.113 4.320 -0.000 0.000 0.206 187 K C 1.868 178.404 176.600 -0.107 0.000 1.047 187 K CA 1.322 57.586 56.287 -0.038 0.000 0.930 187 K CB -0.051 32.606 32.500 0.261 0.000 0.720 187 K HN 0.184 nan 8.250 nan 0.000 0.450 188 R N -0.047 120.336 120.500 -0.194 0.000 2.159 188 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 188 R C 1.157 177.129 176.300 -0.546 0.000 1.131 188 R CA 1.652 57.497 56.100 -0.424 0.000 0.982 188 R CB -0.296 29.666 30.300 -0.563 0.000 0.868 188 R HN 0.215 nan 8.270 nan 0.000 0.453 189 F N 0.638 120.490 119.950 -0.163 0.000 2.500 189 F HA 0.270 4.797 4.527 -0.000 0.000 0.285 189 F C 1.951 177.633 175.800 -0.197 0.000 1.088 189 F CA -0.240 57.662 58.000 -0.164 0.000 1.432 189 F CB -0.548 38.347 39.000 -0.175 0.000 1.131 189 F HN -0.107 nan 8.300 nan 0.000 0.582 190 N N 0.679 119.324 118.700 -0.091 0.000 2.223 190 N HA -0.158 4.582 4.740 -0.000 0.000 0.185 190 N C 0.866 176.331 175.510 -0.076 0.000 1.016 190 N CA 1.438 54.366 53.050 -0.205 0.000 0.863 190 N CB -0.433 37.758 38.487 -0.494 0.000 0.983 190 N HN 0.257 nan 8.380 nan 0.000 0.429 191 D N 0.290 120.659 120.400 -0.052 0.000 2.363 191 D HA 0.054 4.694 4.640 -0.000 0.000 0.220 191 D C 1.214 177.502 176.300 -0.020 0.000 0.994 191 D CA 0.147 54.136 54.000 -0.017 0.000 0.890 191 D CB -0.255 40.537 40.800 -0.013 0.000 0.906 191 D HN 0.154 nan 8.370 nan 0.000 0.530 192 G N -0.284 108.500 108.800 -0.026 0.000 2.631 192 G HA2 0.161 4.121 3.960 -0.000 0.000 0.271 192 G HA3 0.161 4.121 3.960 -0.000 0.000 0.271 192 G C 1.097 176.002 174.900 0.007 0.000 1.302 192 G CA 0.058 45.151 45.100 -0.012 0.000 1.002 192 G HN 0.046 nan 8.290 nan 0.000 0.519 193 T N -0.411 114.151 114.554 0.012 0.000 2.755 193 T HA -0.004 4.346 4.350 -0.000 0.000 0.251 193 T C 0.890 175.608 174.700 0.030 0.000 1.044 193 T CA 0.862 62.974 62.100 0.019 0.000 1.154 193 T CB -0.256 68.620 68.868 0.013 0.000 0.866 193 T HN 0.495 nan 8.240 nan 0.000 0.416 194 D N 2.032 122.453 120.400 0.035 0.000 2.450 194 D HA -0.005 4.635 4.640 -0.000 0.000 0.247 194 D C 1.047 177.378 176.300 0.051 0.000 1.162 194 D CA -0.037 53.989 54.000 0.043 0.000 0.879 194 D CB 0.740 41.568 40.800 0.047 0.000 1.163 194 D HN 0.218 nan 8.370 nan 0.000 0.472 195 E N 3.479 123.714 120.200 0.059 0.000 2.285 195 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 195 E C 1.172 177.826 176.600 0.090 0.000 0.997 195 E CA 0.588 57.034 56.400 0.077 0.000 0.845 195 E CB -0.028 29.725 29.700 0.088 0.000 0.782 195 E HN 0.571 nan 8.360 nan 0.000 0.491 196 K N 0.779 121.231 120.400 0.086 0.000 2.432 196 K HA 0.049 4.369 4.320 -0.000 0.000 0.196 196 K C 1.788 178.459 176.600 0.118 0.000 1.038 196 K CA 0.464 56.829 56.287 0.131 0.000 0.986 196 K CB 0.236 32.800 32.500 0.106 0.000 0.782 196 K HN -0.083 nan 8.250 nan 0.000 0.485 197 K N 0.796 121.224 120.400 0.047 0.000 2.358 197 K HA 0.098 4.418 4.320 -0.000 0.000 0.197 197 K C 0.008 176.528 176.600 -0.134 0.000 1.025 197 K CA 0.129 56.393 56.287 -0.039 0.000 1.104 197 K CB 0.512 33.049 32.500 0.062 0.000 0.855 197 K HN 0.079 nan 8.250 nan 0.000 0.531 198 K N 0.854 121.209 120.400 -0.075 0.000 2.102 198 K HA 0.306 4.626 4.320 -0.000 0.000 0.244 198 K C -0.660 175.776 176.600 -0.273 0.000 1.021 198 K CA -0.583 55.580 56.287 -0.206 0.000 0.913 198 K CB 0.789 33.141 32.500 -0.247 0.000 1.062 198 K HN -0.189 nan 8.250 nan 0.000 0.485 199 L N 2.228 123.170 121.223 -0.468 0.000 2.611 199 L HA 0.252 4.592 4.340 -0.000 0.000 0.263 199 L C -1.861 174.716 176.870 -0.489 0.000 0.969 199 L CA -0.283 54.337 54.840 -0.367 0.000 0.894 199 L CB 0.899 42.766 42.059 -0.320 0.000 1.229 199 L HN 0.449 nan 8.230 nan 0.000 0.416 200 Y N 3.256 123.390 120.300 -0.277 0.000 2.336 200 Y HA 0.444 4.994 4.550 -0.000 0.000 0.335 200 Y C 0.673 176.442 175.900 -0.218 0.000 1.046 200 Y CA -0.201 57.709 58.100 -0.317 0.000 1.198 200 Y CB 0.713 38.663 38.460 -0.850 0.000 1.182 200 Y HN 0.498 nan 8.280 nan 0.000 0.502 201 C N 4.555 123.913 119.300 0.097 0.000 2.398 201 C HA 0.697 5.157 4.460 -0.000 0.000 0.364 201 C C 0.054 175.080 174.990 0.060 0.000 1.219 201 C CA -0.967 58.095 59.018 0.073 0.000 2.312 201 C CB -0.016 27.806 27.740 0.137 0.000 2.428 201 C HN 0.618 nan 8.230 nan 0.000 0.564 202 I N 1.658 122.245 120.570 0.029 0.000 2.500 202 I HA 0.243 4.413 4.170 -0.000 0.000 0.286 202 I C -0.856 175.261 176.117 0.002 0.000 1.063 202 I CA -0.178 61.135 61.300 0.021 0.000 1.062 202 I CB 0.833 38.829 38.000 -0.007 0.000 1.223 202 I HN 0.641 nan 8.210 nan 0.000 0.435 203 Y N 7.148 127.401 120.300 -0.078 0.000 2.417 203 Y HA 0.661 5.211 4.550 -0.000 0.000 0.336 203 Y C -0.766 175.087 175.900 -0.079 0.000 0.961 203 Y CA -0.817 57.230 58.100 -0.088 0.000 1.215 203 Y CB 1.009 39.438 38.460 -0.051 0.000 1.120 203 Y HN 0.303 nan 8.280 nan 0.000 0.499 204 V N 6.211 125.827 119.914 -0.496 0.000 2.383 204 V HA 0.628 4.748 4.120 -0.000 0.000 0.275 204 V C 0.179 176.009 176.094 -0.441 0.000 1.036 204 V CA -0.581 61.520 62.300 -0.332 0.000 0.889 204 V CB 0.686 32.383 31.823 -0.211 0.000 0.985 204 V HN 0.898 nan 8.190 nan 0.000 0.459 205 A N 7.329 130.033 122.820 -0.193 0.000 2.260 205 A HA 0.867 5.187 4.320 -0.000 0.000 0.314 205 A C -0.483 177.083 177.584 -0.031 0.000 1.257 205 A CA -0.438 51.547 52.037 -0.087 0.000 0.871 205 A CB 0.255 19.323 19.000 0.114 0.000 1.166 205 A HN 0.807 nan 8.150 nan 0.000 0.522 206 I N 1.902 122.456 120.570 -0.026 0.000 2.478 206 I HA 0.553 4.723 4.170 -0.000 0.000 0.287 206 I C 1.095 177.231 176.117 0.032 0.000 1.042 206 I CA -0.209 61.096 61.300 0.009 0.000 1.067 206 I CB 1.783 39.782 38.000 -0.002 0.000 1.233 206 I HN 0.961 nan 8.210 nan 0.000 0.431 207 G N 3.800 112.631 108.800 0.050 0.000 2.220 207 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.269 207 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.269 207 G C 0.465 175.396 174.900 0.052 0.000 0.977 207 G CA -0.017 45.116 45.100 0.055 0.000 0.634 207 G HN 0.613 nan 8.290 nan 0.000 0.539 208 Q N 0.113 119.945 119.800 0.054 0.000 2.697 208 Q HA 0.439 4.779 4.340 -0.000 0.000 0.196 208 Q C 0.392 176.426 176.000 0.057 0.000 1.121 208 Q CA 0.142 55.982 55.803 0.061 0.000 1.151 208 Q CB 0.408 29.197 28.738 0.084 0.000 1.250 208 Q HN 0.440 nan 8.270 nan 0.000 0.658 209 K N 0.693 121.127 120.400 0.056 0.000 2.201 209 K HA 0.186 4.506 4.320 -0.000 0.000 0.278 209 K C 1.320 177.949 176.600 0.049 0.000 1.027 209 K CA -0.322 55.994 56.287 0.048 0.000 0.909 209 K CB 0.982 33.507 32.500 0.043 0.000 1.062 209 K HN 0.359 nan 8.250 nan 0.000 0.465 210 R N 0.686 121.211 120.500 0.042 0.000 2.091 210 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 210 R C 1.888 178.208 176.300 0.033 0.000 1.136 210 R CA 1.992 58.115 56.100 0.039 0.000 0.959 210 R CB -0.429 29.890 30.300 0.032 0.000 0.856 210 R HN 0.722 nan 8.270 nan 0.000 0.437 211 S N 0.312 116.029 115.700 0.029 0.000 2.423 211 S HA -0.166 4.304 4.470 -0.000 0.000 0.238 211 S C 1.843 176.457 174.600 0.024 0.000 1.028 211 S CA 1.956 60.170 58.200 0.023 0.000 1.000 211 S CB -0.553 62.661 63.200 0.022 0.000 0.797 211 S HN 0.303 nan 8.310 nan 0.000 0.487 212 T N 1.786 116.360 114.554 0.034 0.000 2.894 212 T HA 0.106 4.456 4.350 -0.000 0.000 0.258 212 T C 1.955 176.673 174.700 0.030 0.000 1.043 212 T CA 0.985 63.108 62.100 0.037 0.000 1.141 212 T CB -0.429 68.471 68.868 0.054 0.000 0.873 212 T HN 0.301 nan 8.240 nan 0.000 0.449 213 V N 1.967 121.907 119.914 0.044 0.000 2.358 213 V HA -0.105 4.015 4.120 -0.000 0.000 0.246 213 V C 2.957 179.053 176.094 0.003 0.000 1.047 213 V CA 1.572 63.897 62.300 0.041 0.000 1.035 213 V CB -1.256 30.613 31.823 0.077 0.000 0.658 213 V HN 0.512 nan 8.190 nan 0.000 0.452 214 A N -0.286 122.539 122.820 0.008 0.000 1.883 214 A HA -0.313 4.006 4.320 -0.000 0.000 0.217 214 A C 2.180 179.752 177.584 -0.019 0.000 1.186 214 A CA 2.138 54.172 52.037 -0.004 0.000 0.624 214 A CB -0.538 18.463 19.000 0.002 0.000 0.822 214 A HN 0.631 nan 8.150 nan 0.000 0.444 215 Q N -0.691 119.100 119.800 -0.015 0.000 2.167 215 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 215 Q C 2.081 178.055 176.000 -0.044 0.000 0.970 215 Q CA 0.897 56.686 55.803 -0.024 0.000 0.855 215 Q CB -0.261 28.473 28.738 -0.007 0.000 0.911 215 Q HN 0.611 nan 8.270 nan 0.000 0.438 216 L N 1.020 122.210 121.223 -0.055 0.000 1.989 216 L HA -0.164 4.176 4.340 -0.000 0.000 0.211 216 L C 2.437 179.231 176.870 -0.126 0.000 1.071 216 L CA 1.971 56.744 54.840 -0.110 0.000 0.749 216 L CB -0.693 41.261 42.059 -0.175 0.000 0.890 216 L HN 0.304 nan 8.230 nan 0.000 0.431 217 V N -2.186 117.666 119.914 -0.103 0.000 2.427 217 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 217 V C 2.666 178.708 176.094 -0.087 0.000 1.051 217 V CA 1.552 63.794 62.300 -0.096 0.000 1.048 217 V CB -0.810 30.973 31.823 -0.066 0.000 0.666 217 V HN 0.313 nan 8.190 nan 0.000 0.456 218 K N 1.135 121.491 120.400 -0.073 0.000 2.074 218 K HA -0.236 4.084 4.320 -0.000 0.000 0.209 218 K C 2.385 178.928 176.600 -0.095 0.000 1.048 218 K CA 2.382 58.626 56.287 -0.073 0.000 0.926 218 K CB -0.551 31.913 32.500 -0.060 0.000 0.713 218 K HN 0.563 nan 8.250 nan 0.000 0.444 219 R N 0.655 121.092 120.500 -0.105 0.000 2.092 219 R HA 0.057 4.397 4.340 -0.000 0.000 0.231 219 R C 2.380 178.611 176.300 -0.116 0.000 1.119 219 R CA 1.096 57.113 56.100 -0.139 0.000 0.970 219 R CB -0.465 29.762 30.300 -0.122 0.000 0.864 219 R HN 0.202 nan 8.270 nan 0.000 0.440 220 L N -0.628 120.531 121.223 -0.107 0.000 2.027 220 L HA -0.135 4.205 4.340 -0.000 0.000 0.206 220 L C 2.187 178.979 176.870 -0.130 0.000 1.074 220 L CA 1.834 56.602 54.840 -0.121 0.000 0.745 220 L CB -0.741 41.228 42.059 -0.150 0.000 0.898 220 L HN 0.281 nan 8.230 nan 0.000 0.433 221 T N -0.516 113.970 114.554 -0.113 0.000 2.652 221 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 221 T C 1.389 176.036 174.700 -0.088 0.000 1.039 221 T CA 1.721 63.762 62.100 -0.098 0.000 1.153 221 T CB -0.234 68.587 68.868 -0.077 0.000 0.863 221 T HN 0.323 nan 8.240 nan 0.000 0.428 222 D N 1.134 121.480 120.400 -0.089 0.000 2.309 222 D HA 0.005 4.645 4.640 -0.000 0.000 0.212 222 D C 1.740 177.993 176.300 -0.077 0.000 0.968 222 D CA 0.763 54.712 54.000 -0.084 0.000 0.882 222 D CB -0.200 40.540 40.800 -0.101 0.000 0.918 222 D HN 0.447 nan 8.370 nan 0.000 0.503 223 A N 0.211 122.983 122.820 -0.079 0.000 2.308 223 A HA 0.063 4.382 4.320 -0.000 0.000 0.217 223 A C 0.407 177.964 177.584 -0.044 0.000 1.216 223 A CA 0.154 52.161 52.037 -0.050 0.000 0.864 223 A CB 0.166 19.151 19.000 -0.025 0.000 0.902 223 A HN -0.003 nan 8.150 nan 0.000 0.499 224 D N -2.324 118.032 120.400 -0.075 0.000 2.699 224 D HA -0.191 4.449 4.640 -0.000 0.000 0.239 224 D C 0.662 176.871 176.300 -0.152 0.000 1.136 224 D CA 1.012 54.965 54.000 -0.078 0.000 0.668 224 D CB -1.199 39.588 40.800 -0.021 0.000 1.060 224 D HN 0.514 nan 8.370 nan 0.000 0.429 225 A N -0.173 122.454 122.820 -0.321 0.000 2.211 225 A HA 0.165 4.485 4.320 -0.000 0.000 0.208 225 A C 2.042 179.085 177.584 -0.901 0.000 1.250 225 A CA 0.256 51.797 52.037 -0.827 0.000 0.935 225 A CB 0.071 18.806 19.000 -0.441 0.000 0.982 225 A HN 0.288 nan 8.150 nan 0.000 0.490 226 M N 1.323 120.670 119.600 -0.421 0.000 2.267 226 M HA -0.170 4.310 4.480 -0.000 0.000 0.263 226 M C 1.983 178.146 176.300 -0.228 0.000 1.063 226 M CA 1.939 57.076 55.300 -0.271 0.000 1.090 226 M CB -0.920 31.589 32.600 -0.151 0.000 1.392 226 M HN 0.685 nan 8.290 nan 0.000 0.422 227 K N 0.421 120.684 120.400 -0.229 0.000 2.160 227 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 227 K C 1.036 177.657 176.600 0.035 0.000 1.047 227 K CA 1.898 58.146 56.287 -0.064 0.000 0.930 227 K CB -0.840 31.663 32.500 0.005 0.000 0.720 227 K HN 0.516 nan 8.250 nan 0.000 0.450 228 Y N -0.569 119.755 120.300 0.040 0.000 2.681 228 Y HA 0.491 5.041 4.550 -0.000 0.000 0.267 228 Y C -0.562 175.369 175.900 0.052 0.000 1.166 228 Y CA -1.082 57.052 58.100 0.057 0.000 1.209 228 Y CB 0.036 38.463 38.460 -0.055 0.000 1.161 228 Y HN -0.211 nan 8.280 nan 0.000 0.534 229 T N 2.331 116.884 114.554 -0.002 0.000 2.893 229 T HA 0.632 4.982 4.350 -0.000 0.000 0.291 229 T C -0.613 174.111 174.700 0.041 0.000 1.028 229 T CA -0.496 61.618 62.100 0.024 0.000 0.995 229 T CB 1.885 70.703 68.868 -0.083 0.000 1.051 229 T HN 0.148 nan 8.240 nan 0.000 0.470 230 I N 1.890 122.501 120.570 0.068 0.000 2.493 230 I HA 0.619 4.789 4.170 -0.000 0.000 0.298 230 I C -0.772 175.385 176.117 0.066 0.000 0.998 230 I CA -1.135 60.204 61.300 0.065 0.000 1.137 230 I CB 2.033 40.084 38.000 0.085 0.000 1.310 230 I HN 0.214 nan 8.210 nan 0.000 0.445 231 V N 6.261 126.210 119.914 0.058 0.000 2.409 231 V HA 0.309 4.429 4.120 -0.000 0.000 0.290 231 V C -0.165 175.966 176.094 0.061 0.000 1.017 231 V CA -0.664 61.689 62.300 0.088 0.000 0.841 231 V CB 1.814 33.691 31.823 0.090 0.000 1.003 231 V HN 0.412 nan 8.190 nan 0.000 0.426 232 V N 3.458 123.400 119.914 0.046 0.000 2.439 232 V HA 0.595 4.715 4.120 -0.000 0.000 0.282 232 V C 0.350 176.461 176.094 0.028 0.000 1.039 232 V CA -0.086 62.225 62.300 0.018 0.000 0.913 232 V CB 1.642 33.459 31.823 -0.010 0.000 0.983 232 V HN 0.830 nan 8.190 nan 0.000 0.460 233 S N 2.786 118.503 115.700 0.029 0.000 2.594 233 S HA 0.780 5.250 4.470 -0.000 0.000 0.296 233 S C -0.284 174.336 174.600 0.034 0.000 1.124 233 S CA -0.337 57.887 58.200 0.040 0.000 1.011 233 S CB 1.625 64.857 63.200 0.054 0.000 1.016 233 S HN 1.091 nan 8.310 nan 0.000 0.485 234 A N 3.083 125.925 122.820 0.037 0.000 2.702 234 A HA 0.621 4.941 4.320 -0.000 0.000 0.305 234 A C 0.212 177.828 177.584 0.053 0.000 1.213 234 A CA -0.681 51.386 52.037 0.049 0.000 0.745 234 A CB 0.130 19.162 19.000 0.053 0.000 1.161 234 A HN 0.690 nan 8.150 nan 0.000 0.445 235 T N -1.440 113.147 114.554 0.055 0.000 2.849 235 T HA 0.600 4.950 4.350 -0.000 0.000 0.276 235 T C 1.606 176.339 174.700 0.055 0.000 0.971 235 T CA 0.103 62.236 62.100 0.055 0.000 0.949 235 T CB 1.095 69.994 68.868 0.052 0.000 1.093 235 T HN 1.333 nan 8.240 nan 0.000 0.545 236 A N 0.270 123.121 122.820 0.051 0.000 2.054 236 A HA -0.125 4.195 4.320 -0.000 0.000 0.223 236 A C 2.435 180.046 177.584 0.045 0.000 1.169 236 A CA 2.461 54.526 52.037 0.048 0.000 0.655 236 A CB -1.328 17.698 19.000 0.043 0.000 0.812 236 A HN 0.881 nan 8.150 nan 0.000 0.462 237 S N -0.947 114.780 115.700 0.044 0.000 2.511 237 S HA 0.082 4.552 4.470 -0.000 0.000 0.214 237 S C 0.035 174.663 174.600 0.047 0.000 0.997 237 S CA -0.378 57.846 58.200 0.041 0.000 0.908 237 S CB -0.253 62.968 63.200 0.035 0.000 0.803 237 S HN 0.510 nan 8.310 nan 0.000 0.504 238 D N 2.577 123.011 120.400 0.057 0.000 2.302 238 D HA 0.387 5.027 4.640 -0.000 0.000 0.248 238 D C 0.244 176.593 176.300 0.082 0.000 1.094 238 D CA 0.124 54.165 54.000 0.070 0.000 0.897 238 D CB 1.453 42.298 40.800 0.075 0.000 1.200 238 D HN 0.397 nan 8.370 nan 0.000 0.429 239 A N 1.652 124.525 122.820 0.089 0.000 2.587 239 A HA 0.221 4.541 4.320 -0.000 0.000 0.235 239 A C 1.527 179.186 177.584 0.125 0.000 1.044 239 A CA 0.496 52.588 52.037 0.092 0.000 0.754 239 A CB 0.163 19.218 19.000 0.091 0.000 0.968 239 A HN 0.674 nan 8.150 nan 0.000 0.509 240 A N 4.102 126.985 122.820 0.106 0.000 1.940 240 A HA -0.148 4.171 4.320 -0.000 0.000 0.221 240 A C -0.114 177.609 177.584 0.231 0.000 1.190 240 A CA 2.284 54.403 52.037 0.136 0.000 0.647 240 A CB -1.673 17.377 19.000 0.084 0.000 0.821 240 A HN 0.665 nan 8.150 nan 0.000 0.457 241 P HA -0.073 nan 4.420 nan 0.000 0.220 241 P C 1.346 178.956 177.300 0.518 0.000 1.148 241 P CA 0.787 64.126 63.100 0.399 0.000 0.803 241 P CB -0.140 31.672 31.700 0.186 0.000 0.782 242 L N -0.937 120.504 121.223 0.364 0.000 2.072 242 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 242 L C 2.702 179.689 176.870 0.196 0.000 1.079 242 L CA 1.401 56.409 54.840 0.280 0.000 0.752 242 L CB -1.124 41.048 42.059 0.190 0.000 0.906 242 L HN -0.060 nan 8.230 nan 0.000 0.436 243 Q N -0.774 119.143 119.800 0.195 0.000 2.096 243 Q HA -0.272 4.068 4.340 -0.000 0.000 0.204 243 Q C 2.176 178.290 176.000 0.191 0.000 0.982 243 Q CA 2.109 58.006 55.803 0.157 0.000 0.850 243 Q CB -0.443 28.384 28.738 0.147 0.000 0.901 243 Q HN 0.496 nan 8.270 nan 0.000 0.422 244 Y N 1.343 121.741 120.300 0.163 0.000 2.145 244 Y HA -0.249 4.301 4.550 -0.000 0.000 0.286 244 Y C 1.950 177.982 175.900 0.221 0.000 1.145 244 Y CA 1.325 59.544 58.100 0.198 0.000 1.148 244 Y CB -0.489 38.137 38.460 0.277 0.000 0.981 244 Y HN 0.087 nan 8.280 nan 0.000 0.507 245 L N 0.975 122.131 121.223 -0.111 0.000 2.005 245 L HA -0.031 4.309 4.340 -0.000 0.000 0.207 245 L C 2.658 179.464 176.870 -0.107 0.000 1.072 245 L CA 2.166 56.895 54.840 -0.185 0.000 0.744 245 L CB -1.491 40.532 42.059 -0.060 0.000 0.895 245 L HN 0.331 nan 8.230 nan 0.000 0.433 246 A N 0.412 123.192 122.820 -0.068 0.000 1.920 246 A HA -0.308 4.012 4.320 -0.000 0.000 0.229 246 A C 0.016 177.543 177.584 -0.094 0.000 1.516 246 A CA 2.908 54.907 52.037 -0.064 0.000 0.714 246 A CB -2.627 16.356 19.000 -0.028 0.000 0.845 246 A HN 0.514 nan 8.150 nan 0.000 0.493 247 P HA -0.119 nan 4.420 nan 0.000 0.218 247 P C 0.943 178.099 177.300 -0.239 0.000 1.149 247 P CA 1.347 64.328 63.100 -0.198 0.000 0.817 247 P CB -0.272 31.100 31.700 -0.547 0.000 0.785 248 Y N 0.060 120.296 120.300 -0.107 0.000 2.220 248 Y HA -0.079 4.471 4.550 -0.000 0.000 0.291 248 Y C 2.743 178.608 175.900 -0.058 0.000 1.129 248 Y CA 1.214 59.246 58.100 -0.114 0.000 1.161 248 Y CB -1.404 36.931 38.460 -0.208 0.000 0.997 248 Y HN -0.073 nan 8.280 nan 0.000 0.522 249 S N -0.150 115.582 115.700 0.052 0.000 2.348 249 S HA -0.161 4.309 4.470 -0.000 0.000 0.221 249 S C 2.469 177.083 174.600 0.023 0.000 1.033 249 S CA 1.308 59.514 58.200 0.010 0.000 1.010 249 S CB -1.110 62.069 63.200 -0.035 0.000 0.891 249 S HN 0.632 nan 8.310 nan 0.000 0.442 250 G N 0.137 108.949 108.800 0.019 0.000 2.442 250 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 250 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 250 G C 1.730 176.659 174.900 0.048 0.000 1.141 250 G CA 1.150 46.259 45.100 0.014 0.000 0.763 250 G HN 0.584 nan 8.290 nan 0.000 0.554 251 C N 0.290 119.654 119.300 0.106 0.000 2.432 251 C HA 0.001 4.461 4.460 -0.000 0.000 0.277 251 C C 3.264 178.319 174.990 0.108 0.000 1.249 251 C CA 1.684 60.786 59.018 0.140 0.000 1.725 251 C CB -0.960 26.893 27.740 0.190 0.000 2.028 251 C HN 0.369 nan 8.230 nan 0.000 0.477 252 S N 0.669 116.421 115.700 0.086 0.000 2.370 252 S HA -0.211 4.259 4.470 -0.000 0.000 0.226 252 S C 1.735 176.378 174.600 0.072 0.000 1.033 252 S CA 2.230 60.470 58.200 0.066 0.000 1.011 252 S CB -0.384 62.839 63.200 0.037 0.000 0.852 252 S HN 0.674 nan 8.310 nan 0.000 0.457 253 M N 0.670 120.310 119.600 0.067 0.000 2.159 253 M HA -0.035 4.445 4.480 -0.000 0.000 0.263 253 M C 2.483 178.910 176.300 0.212 0.000 1.063 253 M CA 1.522 56.868 55.300 0.077 0.000 1.110 253 M CB -0.928 31.712 32.600 0.067 0.000 1.374 253 M HN 0.420 nan 8.290 nan 0.000 0.411 254 G N 0.191 109.122 108.800 0.219 0.000 2.422 254 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.218 254 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.218 254 G C 1.374 176.451 174.900 0.295 0.000 1.140 254 G CA 0.596 45.881 45.100 0.308 0.000 0.775 254 G HN 0.499 nan 8.290 nan 0.000 0.545 255 E N -0.653 119.654 120.200 0.178 0.000 2.153 255 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 255 E C 1.952 178.607 176.600 0.092 0.000 0.988 255 E CA 0.860 57.332 56.400 0.120 0.000 0.811 255 E CB -0.235 29.512 29.700 0.079 0.000 0.746 255 E HN 0.634 nan 8.360 nan 0.000 0.466 256 Y N 0.512 120.759 120.300 -0.088 0.000 2.128 256 Y HA -0.283 4.267 4.550 -0.000 0.000 0.284 256 Y C 1.674 177.414 175.900 -0.267 0.000 1.154 256 Y CA 1.678 59.629 58.100 -0.248 0.000 1.149 256 Y CB -0.474 37.724 38.460 -0.437 0.000 0.976 256 Y HN -0.054 nan 8.280 nan 0.000 0.505 257 F N 0.396 120.399 119.950 0.089 0.000 2.146 257 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 257 F C 2.815 178.548 175.800 -0.112 0.000 1.096 257 F CA 1.810 59.773 58.000 -0.061 0.000 1.275 257 F CB -0.783 38.255 39.000 0.064 0.000 1.008 257 F HN -0.054 nan 8.300 nan 0.000 0.480 258 R N 0.701 121.287 120.500 0.143 0.000 2.081 258 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 258 R C 1.494 177.785 176.300 -0.015 0.000 1.131 258 R CA 2.034 58.175 56.100 0.067 0.000 0.960 258 R CB -0.483 29.870 30.300 0.088 0.000 0.856 258 R HN 0.165 nan 8.270 nan 0.000 0.436 259 D N 0.343 120.707 120.400 -0.060 0.000 2.264 259 D HA -0.079 4.561 4.640 -0.000 0.000 0.208 259 D C 0.070 176.281 176.300 -0.150 0.000 0.966 259 D CA 1.013 54.961 54.000 -0.086 0.000 0.864 259 D CB -0.148 40.604 40.800 -0.081 0.000 0.933 259 D HN 0.370 nan 8.370 nan 0.000 0.499 260 N N -0.522 118.024 118.700 -0.257 0.000 2.839 260 N HA 0.335 5.075 4.740 -0.000 0.000 0.314 260 N C 0.788 176.192 175.510 -0.177 0.000 1.449 260 N CA 0.039 52.929 53.050 -0.267 0.000 1.050 260 N CB 1.081 39.292 38.487 -0.460 0.000 1.364 260 N HN -0.031 nan 8.380 nan 0.000 0.512 261 G N 0.214 108.935 108.800 -0.132 0.000 2.200 261 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.268 261 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.268 261 G C 0.330 175.088 174.900 -0.236 0.000 0.986 261 G CA 0.813 45.828 45.100 -0.143 0.000 0.677 261 G HN 0.386 nan 8.290 nan 0.000 0.532 262 K N -0.783 119.501 120.400 -0.193 0.000 2.419 262 K HA 0.640 4.960 4.320 -0.000 0.000 0.246 262 K C -0.357 176.062 176.600 -0.303 0.000 1.037 262 K CA -0.865 55.340 56.287 -0.136 0.000 0.982 262 K CB 0.703 33.310 32.500 0.179 0.000 1.283 262 K HN 0.267 nan 8.250 nan 0.000 0.500 263 H N -0.477 118.716 119.070 0.206 0.000 2.924 263 H HA 0.411 4.967 4.556 -0.000 0.000 0.333 263 H C -1.069 174.309 175.328 0.084 0.000 0.979 263 H CA -0.631 55.480 56.048 0.104 0.000 1.326 263 H CB 1.701 31.465 29.762 0.003 0.000 1.600 263 H HN 0.698 nan 8.280 nan 0.000 0.520 264 A N 2.800 125.729 122.820 0.180 0.000 2.322 264 A HA 0.673 4.993 4.320 -0.000 0.000 0.327 264 A C -1.098 176.499 177.584 0.021 0.000 1.134 264 A CA -0.686 51.380 52.037 0.048 0.000 0.831 264 A CB 1.622 20.663 19.000 0.069 0.000 1.288 264 A HN 0.423 nan 8.150 nan 0.000 0.472 265 L N 1.047 122.257 121.223 -0.022 0.000 2.406 265 L HA 0.713 5.053 4.340 -0.000 0.000 0.272 265 L C -1.178 175.648 176.870 -0.073 0.000 0.980 265 L CA -0.275 54.539 54.840 -0.043 0.000 0.831 265 L CB 1.298 43.331 42.059 -0.044 0.000 1.253 265 L HN 0.669 nan 8.230 nan 0.000 0.406 266 I N 5.637 126.122 120.570 -0.142 0.000 2.433 266 I HA 0.527 4.697 4.170 -0.000 0.000 0.292 266 I C -1.114 174.735 176.117 -0.447 0.000 1.001 266 I CA -0.544 60.572 61.300 -0.306 0.000 1.119 266 I CB 1.359 39.116 38.000 -0.405 0.000 1.289 266 I HN 0.608 nan 8.210 nan 0.000 0.438 267 I N 8.016 128.319 120.570 -0.444 0.000 2.355 267 I HA 0.233 4.403 4.170 -0.000 0.000 0.288 267 I C -1.239 174.525 176.117 -0.588 0.000 0.999 267 I CA -0.542 60.515 61.300 -0.405 0.000 1.163 267 I CB 0.979 38.891 38.000 -0.148 0.000 1.316 267 I HN 0.437 nan 8.210 nan 0.000 0.454 268 Y N 4.484 124.636 120.300 -0.246 0.000 2.454 268 Y HA 0.291 4.841 4.550 -0.000 0.000 0.345 268 Y C 0.143 175.877 175.900 -0.276 0.000 0.970 268 Y CA -0.682 57.248 58.100 -0.283 0.000 1.204 268 Y CB 0.384 38.684 38.460 -0.268 0.000 1.122 268 Y HN 0.399 nan 8.280 nan 0.000 0.514 269 D N 3.870 124.136 120.400 -0.224 0.000 2.446 269 D HA 0.212 4.852 4.640 -0.000 0.000 0.251 269 D C -1.190 175.051 176.300 -0.097 0.000 1.137 269 D CA -0.357 53.538 54.000 -0.175 0.000 0.890 269 D CB 0.708 41.319 40.800 -0.314 0.000 1.071 269 D HN 0.616 nan 8.370 nan 0.000 0.528 270 D N 1.807 122.181 120.400 -0.044 0.000 2.449 270 D HA 0.301 4.941 4.640 -0.000 0.000 0.250 270 D C 1.469 177.731 176.300 -0.064 0.000 1.050 270 D CA -0.730 53.242 54.000 -0.047 0.000 1.024 270 D CB 1.774 42.562 40.800 -0.020 0.000 1.218 270 D HN 0.115 nan 8.370 nan 0.000 0.566 271 L N 0.117 121.268 121.223 -0.121 0.000 2.446 271 L HA -0.011 4.329 4.340 -0.000 0.000 0.219 271 L C 1.824 178.676 176.870 -0.031 0.000 1.116 271 L CA 0.402 55.115 54.840 -0.212 0.000 0.844 271 L CB -0.149 41.550 42.059 -0.601 0.000 0.970 271 L HN 0.348 nan 8.230 nan 0.000 0.457 272 S N 0.499 116.196 115.700 -0.006 0.000 2.351 272 S HA -0.185 4.285 4.470 -0.000 0.000 0.220 272 S C 1.883 176.550 174.600 0.111 0.000 1.035 272 S CA 1.415 59.651 58.200 0.060 0.000 1.031 272 S CB -0.073 63.155 63.200 0.046 0.000 0.928 272 S HN 0.389 nan 8.310 nan 0.000 0.433 273 K N 1.009 121.459 120.400 0.083 0.000 2.211 273 K HA -0.089 4.231 4.320 -0.000 0.000 0.203 273 K C 2.383 179.060 176.600 0.129 0.000 1.050 273 K CA 0.769 57.116 56.287 0.100 0.000 0.945 273 K CB -0.152 32.391 32.500 0.071 0.000 0.732 273 K HN 0.406 nan 8.250 nan 0.000 0.451 274 Q N 1.057 120.932 119.800 0.124 0.000 2.046 274 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 274 Q C 2.143 178.293 176.000 0.251 0.000 0.975 274 Q CA 1.384 57.288 55.803 0.169 0.000 0.836 274 Q CB -0.099 28.704 28.738 0.107 0.000 0.896 274 Q HN 0.297 nan 8.270 nan 0.000 0.428 275 A N 0.788 123.761 122.820 0.255 0.000 1.917 275 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 275 A C 2.180 180.005 177.584 0.403 0.000 1.182 275 A CA 2.092 54.291 52.037 0.271 0.000 0.633 275 A CB -1.101 17.976 19.000 0.129 0.000 0.819 275 A HN 0.464 nan 8.150 nan 0.000 0.448 276 V N -2.777 117.327 119.914 0.318 0.000 2.548 276 V HA 0.052 4.172 4.120 -0.000 0.000 0.249 276 V C 2.448 178.635 176.094 0.155 0.000 1.055 276 V CA 1.693 64.130 62.300 0.229 0.000 1.065 276 V CB -1.304 30.608 31.823 0.148 0.000 0.681 276 V HN 0.521 nan 8.190 nan 0.000 0.462 277 A N -0.316 122.616 122.820 0.186 0.000 1.873 277 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 277 A C 2.201 179.888 177.584 0.172 0.000 1.186 277 A CA 1.909 54.048 52.037 0.170 0.000 0.616 277 A CB -1.028 18.098 19.000 0.209 0.000 0.823 277 A HN 0.719 nan 8.150 nan 0.000 0.442 278 Y N 0.638 120.985 120.300 0.080 0.000 2.181 278 Y HA -0.209 4.341 4.550 -0.000 0.000 0.288 278 Y C 2.497 178.383 175.900 -0.024 0.000 1.146 278 Y CA 2.011 60.091 58.100 -0.033 0.000 1.164 278 Y CB -0.420 38.038 38.460 -0.003 0.000 0.982 278 Y HN 0.359 nan 8.280 nan 0.000 0.515 279 R N 0.326 120.827 120.500 0.002 0.000 2.081 279 R HA -0.252 4.088 4.340 -0.000 0.000 0.235 279 R C 2.442 178.638 176.300 -0.173 0.000 1.131 279 R CA 1.924 57.955 56.100 -0.115 0.000 0.960 279 R CB -0.468 29.767 30.300 -0.108 0.000 0.856 279 R HN 0.586 nan 8.270 nan 0.000 0.436 280 Q N 0.334 120.073 119.800 -0.101 0.000 2.061 280 Q HA -0.224 4.116 4.340 -0.000 0.000 0.204 280 Q C 2.085 178.003 176.000 -0.135 0.000 0.984 280 Q CA 2.216 57.963 55.803 -0.093 0.000 0.846 280 Q CB -0.099 28.617 28.738 -0.037 0.000 0.902 280 Q HN 0.438 nan 8.270 nan 0.000 0.421 281 M N -0.037 119.458 119.600 -0.176 0.000 2.065 281 M HA -0.179 4.301 4.480 -0.000 0.000 0.259 281 M C 2.413 178.546 176.300 -0.278 0.000 1.069 281 M CA 1.789 56.958 55.300 -0.219 0.000 1.110 281 M CB -0.168 32.278 32.600 -0.257 0.000 1.328 281 M HN 0.137 nan 8.290 nan 0.000 0.405 282 S N 0.870 116.310 115.700 -0.433 0.000 2.359 282 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 282 S C 1.885 176.360 174.600 -0.208 0.000 1.035 282 S CA 1.280 59.251 58.200 -0.381 0.000 1.018 282 S CB -0.555 62.349 63.200 -0.492 0.000 0.876 282 S HN 0.379 nan 8.310 nan 0.000 0.448 283 L N 0.891 122.008 121.223 -0.176 0.000 2.056 283 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 283 L C 2.210 179.021 176.870 -0.098 0.000 1.078 283 L CA 0.962 55.730 54.840 -0.119 0.000 0.749 283 L CB -0.609 41.385 42.059 -0.108 0.000 0.901 283 L HN 0.282 nan 8.230 nan 0.000 0.433 284 L N -0.537 120.624 121.223 -0.103 0.000 2.131 284 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 284 L C 2.326 179.150 176.870 -0.077 0.000 1.092 284 L CA 0.990 55.782 54.840 -0.081 0.000 0.759 284 L CB -0.352 41.662 42.059 -0.076 0.000 0.903 284 L HN 0.277 nan 8.230 nan 0.000 0.435 285 L N -0.818 120.348 121.223 -0.094 0.000 2.478 285 L HA -0.002 4.338 4.340 -0.000 0.000 0.223 285 L C 0.997 177.830 176.870 -0.061 0.000 1.140 285 L CA 0.437 55.231 54.840 -0.077 0.000 0.842 285 L CB -0.063 41.942 42.059 -0.090 0.000 0.953 285 L HN 0.254 nan 8.230 nan 0.000 0.452 286 R N -0.762 119.699 120.500 -0.066 0.000 3.822 286 R HA -0.123 4.217 4.340 -0.000 0.000 0.366 286 R C -0.017 176.256 176.300 -0.046 0.000 1.137 286 R CA 0.193 56.262 56.100 -0.051 0.000 0.933 286 R CB -1.655 28.622 30.300 -0.038 0.000 1.522 286 R HN 0.308 nan 8.270 nan 0.000 0.519 287 R N 1.997 122.462 120.500 -0.059 0.000 2.491 287 R HA 0.141 4.481 4.340 -0.000 0.000 0.283 287 R C -2.003 174.277 176.300 -0.032 0.000 1.072 287 R CA -1.437 54.637 56.100 -0.043 0.000 1.048 287 R CB 0.237 30.505 30.300 -0.053 0.000 0.983 287 R HN -0.096 nan 8.270 nan 0.000 0.450 288 P HA -0.026 nan 4.420 nan 0.000 0.256 288 P C -2.408 174.894 177.300 0.004 0.000 1.173 288 P CA -0.764 62.333 63.100 -0.005 0.000 0.768 288 P CB -0.118 31.585 31.700 0.005 0.000 0.758 289 P HA 0.249 nan 4.420 nan 0.000 0.280 289 P C 0.411 177.725 177.300 0.023 0.000 1.244 289 P CA 0.117 63.218 63.100 0.003 0.000 0.784 289 P CB 1.336 33.020 31.700 -0.026 0.000 0.913 290 G N 2.364 111.202 108.800 0.063 0.000 3.247 290 G HA2 0.302 4.262 3.960 -0.000 0.000 0.163 290 G HA3 0.302 4.262 3.960 -0.000 0.000 0.163 290 G C -0.500 174.417 174.900 0.029 0.000 1.206 290 G CA -0.827 44.298 45.100 0.040 0.000 0.918 290 G HN 0.522 nan 8.290 nan 0.000 0.625 291 R N 0.684 121.152 120.500 -0.054 0.000 2.485 291 R HA 0.042 4.382 4.340 -0.000 0.000 0.304 291 R C 0.212 176.586 176.300 0.125 0.000 0.934 291 R CA 1.237 57.260 56.100 -0.128 0.000 1.102 291 R CB -0.351 29.590 30.300 -0.599 0.000 0.906 291 R HN 0.715 nan 8.270 nan 0.000 0.407 292 E N 2.483 122.756 120.200 0.122 0.000 3.370 292 E HA -0.357 3.993 4.350 -0.000 0.000 0.291 292 E C 0.332 176.946 176.600 0.024 0.000 0.916 292 E CA 0.616 57.121 56.400 0.176 0.000 0.981 292 E CB -1.060 28.890 29.700 0.417 0.000 1.498 292 E HN 0.922 nan 8.360 nan 0.000 0.452 293 A N -2.424 120.409 122.820 0.021 0.000 3.384 293 A HA -0.290 4.030 4.320 -0.000 0.000 0.260 293 A C 0.077 177.625 177.584 -0.059 0.000 1.168 293 A CA 1.535 53.537 52.037 -0.059 0.000 1.253 293 A CB -1.952 16.969 19.000 -0.132 0.000 1.122 293 A HN 0.383 nan 8.150 nan 0.000 0.934 294 Y N 1.039 121.418 120.300 0.133 0.000 2.411 294 Y HA 0.424 4.973 4.550 -0.000 0.000 0.333 294 Y C -1.440 174.548 175.900 0.146 0.000 1.186 294 Y CA -1.038 57.159 58.100 0.161 0.000 1.381 294 Y CB 0.261 38.885 38.460 0.272 0.000 1.273 294 Y HN 0.237 nan 8.280 nan 0.000 0.546 295 P HA 0.007 nan 4.420 nan 0.000 0.272 295 P C 0.670 178.119 177.300 0.249 0.000 1.223 295 P CA 0.129 63.333 63.100 0.173 0.000 0.784 295 P CB 0.830 32.581 31.700 0.086 0.000 0.923 296 G N 1.923 110.837 108.800 0.189 0.000 2.462 296 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 296 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 296 G C 0.698 175.740 174.900 0.236 0.000 1.121 296 G CA 0.694 45.912 45.100 0.197 0.000 0.758 296 G HN 0.623 nan 8.290 nan 0.000 0.559 297 D N 0.997 121.551 120.400 0.258 0.000 2.325 297 D HA -0.012 4.628 4.640 -0.000 0.000 0.225 297 D C 2.247 178.697 176.300 0.251 0.000 1.096 297 D CA 0.497 54.672 54.000 0.292 0.000 0.844 297 D CB -0.394 40.595 40.800 0.316 0.000 0.925 297 D HN 0.337 nan 8.370 nan 0.000 0.513 298 V N -1.960 118.078 119.914 0.206 0.000 2.594 298 V HA -0.162 3.958 4.120 -0.000 0.000 0.253 298 V C 2.229 178.218 176.094 -0.175 0.000 1.069 298 V CA 1.002 63.289 62.300 -0.023 0.000 1.082 298 V CB -1.477 30.259 31.823 -0.146 0.000 0.680 298 V HN 0.151 nan 8.190 nan 0.000 0.469 299 F N 1.194 121.073 119.950 -0.119 0.000 2.084 299 F HA -0.134 4.393 4.527 -0.000 0.000 0.296 299 F C 2.346 178.144 175.800 -0.003 0.000 1.111 299 F CA 1.872 59.818 58.000 -0.090 0.000 1.224 299 F CB -0.683 38.322 39.000 0.007 0.000 0.991 299 F HN 0.174 nan 8.300 nan 0.000 0.471 300 Y N 1.046 121.318 120.300 -0.046 0.000 2.193 300 Y HA -0.238 4.312 4.550 -0.000 0.000 0.285 300 Y C 2.170 177.938 175.900 -0.220 0.000 1.166 300 Y CA 1.742 59.744 58.100 -0.163 0.000 1.181 300 Y CB -0.937 37.557 38.460 0.056 0.000 0.976 300 Y HN 0.278 nan 8.280 nan 0.000 0.520 301 L N -0.157 120.865 121.223 -0.336 0.000 2.081 301 L HA -0.288 4.052 4.340 -0.000 0.000 0.212 301 L C 2.126 178.860 176.870 -0.227 0.000 1.080 301 L CA 2.422 57.028 54.840 -0.391 0.000 0.754 301 L CB -0.796 40.944 42.059 -0.531 0.000 0.893 301 L HN 0.425 nan 8.230 nan 0.000 0.433 302 H N -1.937 116.925 119.070 -0.347 0.000 2.370 302 H HA -0.013 4.543 4.556 -0.000 0.000 0.304 302 H C 2.368 177.443 175.328 -0.423 0.000 1.055 302 H CA 0.783 56.602 56.048 -0.382 0.000 1.373 302 H CB 0.000 29.555 29.762 -0.346 0.000 1.423 302 H HN 0.508 nan 8.280 nan 0.000 0.533 303 S N 2.108 117.528 115.700 -0.467 0.000 2.359 303 S HA -0.287 4.183 4.470 -0.000 0.000 0.223 303 S C 2.156 176.632 174.600 -0.207 0.000 1.039 303 S CA 1.458 59.405 58.200 -0.421 0.000 1.042 303 S CB -0.489 62.332 63.200 -0.632 0.000 0.915 303 S HN 0.518 nan 8.310 nan 0.000 0.439 304 R N 1.349 121.708 120.500 -0.234 0.000 2.094 304 R HA -0.115 4.225 4.340 -0.000 0.000 0.239 304 R C 2.370 178.613 176.300 -0.094 0.000 1.137 304 R CA 1.632 57.625 56.100 -0.178 0.000 0.943 304 R CB -1.182 28.865 30.300 -0.422 0.000 0.850 304 R HN 0.445 nan 8.270 nan 0.000 0.433 305 L N 1.561 122.738 121.223 -0.077 0.000 1.944 305 L HA -0.140 4.200 4.340 -0.000 0.000 0.218 305 L C 2.412 179.205 176.870 -0.129 0.000 1.075 305 L CA 1.757 56.544 54.840 -0.089 0.000 0.767 305 L CB -0.571 41.281 42.059 -0.345 0.000 0.890 305 L HN 0.262 nan 8.230 nan 0.000 0.434 306 L N -0.336 120.777 121.223 -0.184 0.000 2.349 306 L HA -0.170 4.170 4.340 -0.000 0.000 0.220 306 L C 2.472 179.314 176.870 -0.047 0.000 1.130 306 L CA 0.771 55.543 54.840 -0.113 0.000 0.791 306 L CB -0.690 41.284 42.059 -0.141 0.000 0.918 306 L HN 0.430 nan 8.230 nan 0.000 0.444 307 E N 0.271 120.446 120.200 -0.043 0.000 2.208 307 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 307 E C 2.218 178.819 176.600 0.002 0.000 0.988 307 E CA 0.629 57.022 56.400 -0.013 0.000 0.828 307 E CB 0.071 29.770 29.700 -0.001 0.000 0.763 307 E HN 0.518 nan 8.360 nan 0.000 0.478 308 R N 0.840 121.346 120.500 0.010 0.000 2.193 308 R HA -0.005 4.335 4.340 -0.000 0.000 0.229 308 R C 1.085 177.410 176.300 0.041 0.000 1.110 308 R CA 0.598 56.716 56.100 0.030 0.000 0.988 308 R CB -0.180 30.148 30.300 0.047 0.000 0.871 308 R HN -0.053 nan 8.270 nan 0.000 0.458 309 A N 1.081 123.928 122.820 0.045 0.000 2.440 309 A HA 0.580 4.900 4.320 -0.000 0.000 0.251 309 A C -0.100 177.500 177.584 0.027 0.000 1.089 309 A CA 0.245 52.311 52.037 0.047 0.000 0.779 309 A CB 0.417 19.445 19.000 0.047 0.000 1.022 309 A HN 0.330 nan 8.150 nan 0.000 0.492 310 A N 1.757 124.595 122.820 0.030 0.000 2.583 310 A HA 0.624 4.944 4.320 -0.000 0.000 0.292 310 A C -0.975 176.627 177.584 0.030 0.000 1.045 310 A CA -0.696 51.351 52.037 0.017 0.000 0.672 310 A CB 0.887 19.887 19.000 -0.000 0.000 1.283 310 A HN 1.022 nan 8.150 nan 0.000 0.419 311 K N 2.176 122.588 120.400 0.020 0.000 2.334 311 K HA 0.604 4.924 4.320 -0.000 0.000 0.265 311 K C -0.458 176.158 176.600 0.027 0.000 1.039 311 K CA -0.383 55.926 56.287 0.037 0.000 0.920 311 K CB 0.287 32.802 32.500 0.026 0.000 1.160 311 K HN 0.618 nan 8.250 nan 0.000 0.451 312 M N 2.774 122.402 119.600 0.046 0.000 2.255 312 M HA 0.205 4.685 4.480 -0.000 0.000 0.336 312 M C 0.398 176.749 176.300 0.085 0.000 1.135 312 M CA -0.521 54.805 55.300 0.042 0.000 1.145 312 M CB 0.235 32.878 32.600 0.072 0.000 1.473 312 M HN 0.716 nan 8.290 nan 0.000 0.462 313 N N 0.678 119.448 118.700 0.117 0.000 2.405 313 N HA 0.167 4.907 4.740 -0.000 0.000 0.269 313 N C 0.095 175.700 175.510 0.158 0.000 1.249 313 N CA -0.430 52.701 53.050 0.134 0.000 0.974 313 N CB 0.433 39.004 38.487 0.141 0.000 1.204 313 N HN 0.400 nan 8.380 nan 0.000 0.565 314 D N -0.478 119.987 120.400 0.108 0.000 2.123 314 D HA -0.141 4.499 4.640 -0.000 0.000 0.196 314 D C 1.548 177.874 176.300 0.043 0.000 0.992 314 D CA 1.903 55.944 54.000 0.068 0.000 0.833 314 D CB -0.733 40.091 40.800 0.040 0.000 0.954 314 D HN 0.717 nan 8.370 nan 0.000 0.455 315 A N -0.577 122.272 122.820 0.048 0.000 2.259 315 A HA -0.080 4.240 4.320 -0.000 0.000 0.212 315 A C 0.973 178.340 177.584 -0.361 0.000 1.178 315 A CA 0.648 52.614 52.037 -0.118 0.000 0.734 315 A CB -0.543 18.389 19.000 -0.114 0.000 0.774 315 A HN 0.164 nan 8.150 nan 0.000 0.481 316 F N -1.951 117.992 119.950 -0.011 0.000 2.775 316 F HA 0.426 4.953 4.527 -0.000 0.000 0.313 316 F C 1.519 177.301 175.800 -0.029 0.000 1.121 316 F CA 0.321 58.310 58.000 -0.018 0.000 1.206 316 F CB 0.751 39.743 39.000 -0.012 0.000 1.052 316 F HN 0.261 nan 8.300 nan 0.000 0.524 317 G N -0.388 108.458 108.800 0.077 0.000 2.195 317 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.224 317 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.224 317 G C 1.372 176.283 174.900 0.020 0.000 0.990 317 G CA -0.049 45.065 45.100 0.023 0.000 0.639 317 G HN 1.028 nan 8.290 nan 0.000 0.514 318 G N -0.265 108.576 108.800 0.070 0.000 2.216 318 G HA2 0.072 4.032 3.960 -0.000 0.000 0.269 318 G HA3 0.072 4.032 3.960 -0.000 0.000 0.269 318 G C 1.639 176.591 174.900 0.086 0.000 0.981 318 G CA 1.449 46.598 45.100 0.082 0.000 0.658 318 G HN 2.124 nan 8.290 nan 0.000 0.539 319 G N -0.675 108.117 108.800 -0.013 0.000 2.631 319 G HA2 0.660 4.620 3.960 -0.000 0.000 0.271 319 G HA3 0.660 4.620 3.960 -0.000 0.000 0.271 319 G C 0.329 175.296 174.900 0.111 0.000 1.302 319 G CA 1.157 46.175 45.100 -0.137 0.000 1.002 319 G HN 1.924 nan 8.290 nan 0.000 0.519 320 S N -2.055 113.769 115.700 0.206 0.000 2.587 320 S HA 0.563 5.033 4.470 -0.000 0.000 0.269 320 S C -1.772 172.943 174.600 0.191 0.000 1.154 320 S CA -0.803 57.540 58.200 0.238 0.000 0.824 320 S CB 1.768 65.136 63.200 0.280 0.000 1.118 320 S HN 1.221 nan 8.310 nan 0.000 0.462 321 L N 1.371 122.664 121.223 0.117 0.000 2.439 321 L HA 0.760 5.100 4.340 -0.000 0.000 0.270 321 L C -0.952 175.947 176.870 0.047 0.000 0.972 321 L CA 0.222 55.116 54.840 0.090 0.000 0.836 321 L CB 1.927 44.041 42.059 0.090 0.000 1.255 321 L HN 0.954 nan 8.230 nan 0.000 0.404 322 T N 4.429 118.995 114.554 0.019 0.000 2.770 322 T HA 0.817 5.167 4.350 -0.000 0.000 0.283 322 T C -0.369 174.316 174.700 -0.024 0.000 0.988 322 T CA -0.296 61.798 62.100 -0.010 0.000 0.957 322 T CB 1.333 70.179 68.868 -0.037 0.000 0.930 322 T HN 0.769 nan 8.240 nan 0.000 0.443 323 A N 3.896 126.712 122.820 -0.006 0.000 2.288 323 A HA 0.741 5.061 4.320 -0.000 0.000 0.320 323 A C -0.340 177.237 177.584 -0.011 0.000 1.217 323 A CA -0.667 51.369 52.037 -0.001 0.000 0.840 323 A CB 0.405 19.487 19.000 0.136 0.000 1.179 323 A HN 0.882 nan 8.150 nan 0.000 0.504 324 L N 5.102 126.296 121.223 -0.049 0.000 2.435 324 L HA 0.327 4.667 4.340 -0.000 0.000 0.253 324 L C -2.335 174.519 176.870 -0.027 0.000 1.087 324 L CA -1.756 53.059 54.840 -0.041 0.000 0.950 324 L CB 1.506 43.536 42.059 -0.048 0.000 1.304 324 L HN 0.490 nan 8.230 nan 0.000 0.453 325 P HA 0.217 nan 4.420 nan 0.000 0.282 325 P C -0.562 176.711 177.300 -0.046 0.000 1.249 325 P CA -0.279 62.848 63.100 0.045 0.000 0.806 325 P CB 2.027 33.709 31.700 -0.029 0.000 0.984 326 V N 4.200 124.081 119.914 -0.056 0.000 2.483 326 V HA 0.417 4.537 4.120 -0.000 0.000 0.295 326 V C 0.338 176.385 176.094 -0.077 0.000 1.035 326 V CA -0.554 61.709 62.300 -0.061 0.000 0.896 326 V CB 1.537 33.336 31.823 -0.040 0.000 0.986 326 V HN 0.426 nan 8.190 nan 0.000 0.447 327 I N 3.425 123.955 120.570 -0.067 0.000 2.498 327 I HA 0.413 4.583 4.170 -0.000 0.000 0.290 327 I C -0.083 176.024 176.117 -0.018 0.000 1.032 327 I CA -0.340 60.928 61.300 -0.054 0.000 1.073 327 I CB 2.068 40.028 38.000 -0.066 0.000 1.251 327 I HN 0.754 nan 8.210 nan 0.000 0.426 328 E N 5.719 125.921 120.200 0.003 0.000 2.055 328 E HA 0.290 4.640 4.350 -0.000 0.000 0.274 328 E C -0.488 176.135 176.600 0.038 0.000 0.949 328 E CA -0.345 56.067 56.400 0.019 0.000 0.775 328 E CB 1.056 30.769 29.700 0.021 0.000 1.097 328 E HN 0.698 nan 8.360 nan 0.000 0.404 329 T N 1.907 116.489 114.554 0.047 0.000 2.882 329 T HA 0.230 4.580 4.350 -0.000 0.000 0.287 329 T C 0.217 174.951 174.700 0.057 0.000 1.014 329 T CA -0.844 61.294 62.100 0.063 0.000 1.049 329 T CB 1.430 70.349 68.868 0.084 0.000 1.001 329 T HN 0.343 nan 8.240 nan 0.000 0.525 330 Q N 0.802 120.640 119.800 0.062 0.000 2.271 330 Q HA 0.502 4.842 4.340 -0.000 0.000 0.258 330 Q C 0.594 176.622 176.000 0.047 0.000 0.936 330 Q CA -0.197 55.638 55.803 0.053 0.000 0.909 330 Q CB 1.473 30.245 28.738 0.057 0.000 1.253 330 Q HN 1.219 nan 8.270 nan 0.000 0.440 331 A N 2.337 125.179 122.820 0.038 0.000 2.596 331 A HA -0.198 4.122 4.320 -0.000 0.000 0.300 331 A C 1.221 178.825 177.584 0.033 0.000 1.495 331 A CA 1.218 53.273 52.037 0.030 0.000 0.769 331 A CB -2.178 16.835 19.000 0.021 0.000 1.047 331 A HN 1.448 nan 8.150 nan 0.000 0.436 332 G N -0.731 108.095 108.800 0.044 0.000 2.225 332 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.272 332 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.272 332 G C 0.135 175.065 174.900 0.049 0.000 0.996 332 G CA 1.145 46.274 45.100 0.047 0.000 0.710 332 G HN 1.606 nan 8.290 nan 0.000 0.522 333 D N 0.348 120.780 120.400 0.054 0.000 2.385 333 D HA 0.305 4.945 4.640 -0.000 0.000 0.260 333 D C 1.438 177.789 176.300 0.085 0.000 1.326 333 D CA 0.018 54.053 54.000 0.059 0.000 1.023 333 D CB 0.439 41.275 40.800 0.060 0.000 1.083 333 D HN 0.081 nan 8.370 nan 0.000 0.517 334 V N 2.619 122.589 119.914 0.093 0.000 3.630 334 V HA -0.018 4.102 4.120 -0.000 0.000 0.273 334 V C 1.844 178.017 176.094 0.132 0.000 1.248 334 V CA 0.534 62.924 62.300 0.150 0.000 1.170 334 V CB -0.163 31.794 31.823 0.224 0.000 0.899 334 V HN 0.400 nan 8.190 nan 0.000 0.457 335 S N -0.075 115.684 115.700 0.100 0.000 2.524 335 S HA 0.409 4.879 4.470 -0.000 0.000 0.215 335 S C 1.307 175.974 174.600 0.111 0.000 0.986 335 S CA 0.293 58.551 58.200 0.096 0.000 0.911 335 S CB 0.191 63.434 63.200 0.072 0.000 0.805 335 S HN 0.610 nan 8.310 nan 0.000 0.501 336 A N 0.813 123.702 122.820 0.116 0.000 2.521 336 A HA 0.132 4.452 4.320 -0.000 0.000 0.237 336 A C 0.946 178.646 177.584 0.194 0.000 1.087 336 A CA 0.131 52.255 52.037 0.146 0.000 0.777 336 A CB -0.270 18.811 19.000 0.136 0.000 1.035 336 A HN 0.401 nan 8.150 nan 0.000 0.510 337 Y N 0.973 121.306 120.300 0.054 0.000 2.070 337 Y HA -0.210 4.340 4.550 -0.000 0.000 0.280 337 Y C 1.858 177.755 175.900 -0.005 0.000 1.148 337 Y CA 2.357 60.476 58.100 0.032 0.000 1.125 337 Y CB -0.643 37.847 38.460 0.051 0.000 0.975 337 Y HN 0.502 nan 8.280 nan 0.000 0.492 338 I N 0.472 120.949 120.570 -0.156 0.000 2.179 338 I HA -0.197 3.973 4.170 -0.000 0.000 0.242 338 I C -0.700 175.373 176.117 -0.074 0.000 1.088 338 I CA 1.490 62.631 61.300 -0.264 0.000 1.357 338 I CB -1.863 35.952 38.000 -0.310 0.000 1.051 338 I HN 0.168 nan 8.210 nan 0.000 0.409 339 P HA -0.147 nan 4.420 nan 0.000 0.216 339 P C 1.803 179.132 177.300 0.049 0.000 1.153 339 P CA 2.234 65.352 63.100 0.030 0.000 0.848 339 P CB -0.503 31.237 31.700 0.066 0.000 0.787 340 T N -2.938 111.665 114.554 0.082 0.000 2.684 340 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 340 T C 1.763 176.524 174.700 0.101 0.000 1.036 340 T CA 1.506 63.667 62.100 0.102 0.000 1.148 340 T CB -1.319 67.626 68.868 0.127 0.000 0.863 340 T HN -0.056 nan 8.240 nan 0.000 0.436 341 N N 1.609 120.362 118.700 0.089 0.000 2.011 341 N HA -0.098 4.642 4.740 -0.000 0.000 0.199 341 N C 2.044 177.650 175.510 0.160 0.000 1.047 341 N CA 1.638 54.786 53.050 0.163 0.000 0.863 341 N CB -1.159 37.364 38.487 0.059 0.000 1.056 341 N HN 0.356 nan 8.380 nan 0.000 0.427 342 V N 1.686 121.638 119.914 0.064 0.000 2.332 342 V HA -0.195 3.924 4.120 -0.000 0.000 0.248 342 V C 2.278 178.372 176.094 -0.001 0.000 1.055 342 V CA 1.264 63.563 62.300 -0.002 0.000 1.038 342 V CB -0.513 31.259 31.823 -0.085 0.000 0.651 342 V HN 0.293 nan 8.190 nan 0.000 0.450 343 I N 1.139 121.717 120.570 0.014 0.000 2.264 343 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 343 I C 2.391 178.535 176.117 0.045 0.000 1.111 343 I CA 1.919 63.224 61.300 0.007 0.000 1.382 343 I CB -0.361 37.657 38.000 0.030 0.000 1.060 343 I HN 0.507 nan 8.210 nan 0.000 0.418 344 S N -0.120 115.638 115.700 0.096 0.000 2.660 344 S HA 0.131 4.601 4.470 -0.000 0.000 0.223 344 S C 1.383 176.087 174.600 0.172 0.000 0.963 344 S CA 0.175 58.456 58.200 0.136 0.000 0.932 344 S CB -0.269 63.029 63.200 0.163 0.000 0.775 344 S HN 0.431 nan 8.310 nan 0.000 0.531 345 I N 0.919 121.552 120.570 0.104 0.000 3.518 345 I HA 0.081 4.251 4.170 -0.000 0.000 0.260 345 I C 1.620 177.744 176.117 0.011 0.000 1.148 345 I CA 0.496 61.828 61.300 0.054 0.000 1.440 345 I CB -0.645 37.334 38.000 -0.034 0.000 1.485 345 I HN 0.341 nan 8.210 nan 0.000 0.456 346 T N -0.960 113.584 114.554 -0.017 0.000 2.619 346 T HA -0.006 4.344 4.350 -0.000 0.000 0.330 346 T C 0.319 175.011 174.700 -0.014 0.000 1.037 346 T CA 0.046 62.129 62.100 -0.028 0.000 1.005 346 T CB 0.380 69.216 68.868 -0.055 0.000 1.084 346 T HN 0.120 nan 8.240 nan 0.000 0.521 347 D N 0.198 120.586 120.400 -0.020 0.000 2.559 347 D HA 0.432 5.072 4.640 -0.000 0.000 0.234 347 D C 0.750 177.039 176.300 -0.019 0.000 1.226 347 D CA 0.111 54.104 54.000 -0.012 0.000 0.830 347 D CB 0.140 40.934 40.800 -0.009 0.000 1.028 347 D HN 0.977 nan 8.370 nan 0.000 0.492 348 G N 0.780 109.559 108.800 -0.035 0.000 2.359 348 G HA2 0.244 4.204 3.960 -0.000 0.000 0.314 348 G HA3 0.244 4.204 3.960 -0.000 0.000 0.314 348 G C -1.887 172.945 174.900 -0.113 0.000 1.364 348 G CA -0.921 44.148 45.100 -0.050 0.000 0.978 348 G HN 0.030 nan 8.290 nan 0.000 0.615 349 Q N -1.288 118.408 119.800 -0.173 0.000 2.462 349 Q HA 0.797 5.137 4.340 -0.000 0.000 0.285 349 Q C -0.819 175.012 176.000 -0.281 0.000 1.035 349 Q CA -0.677 54.931 55.803 -0.325 0.000 0.799 349 Q CB 2.347 30.658 28.738 -0.711 0.000 1.452 349 Q HN 0.682 nan 8.270 nan 0.000 0.404 350 I N 2.135 122.547 120.570 -0.262 0.000 2.466 350 I HA 0.388 4.558 4.170 -0.000 0.000 0.279 350 I C -1.247 174.824 176.117 -0.076 0.000 1.033 350 I CA -0.505 60.739 61.300 -0.094 0.000 1.123 350 I CB 0.526 38.505 38.000 -0.035 0.000 1.237 350 I HN 0.451 nan 8.210 nan 0.000 0.460 351 F N 6.360 126.319 119.950 0.016 0.000 2.411 351 F HA 0.478 5.005 4.527 -0.000 0.000 0.350 351 F C 0.146 175.959 175.800 0.021 0.000 1.114 351 F CA -0.786 57.225 58.000 0.017 0.000 1.135 351 F CB 0.469 39.482 39.000 0.022 0.000 1.120 351 F HN 0.111 nan 8.300 nan 0.000 0.495 352 L N 3.199 124.538 121.223 0.194 0.000 2.307 352 L HA 0.466 4.806 4.340 -0.000 0.000 0.282 352 L C 0.018 176.955 176.870 0.110 0.000 1.051 352 L CA -0.694 54.219 54.840 0.122 0.000 0.804 352 L CB 1.102 43.195 42.059 0.056 0.000 1.197 352 L HN 0.585 nan 8.230 nan 0.000 0.431 353 E N 1.164 121.427 120.200 0.105 0.000 2.216 353 E HA 0.197 4.547 4.350 -0.000 0.000 0.279 353 E C 0.258 176.924 176.600 0.110 0.000 0.997 353 E CA -0.378 56.079 56.400 0.095 0.000 0.817 353 E CB 2.056 31.810 29.700 0.089 0.000 1.096 353 E HN 0.606 nan 8.360 nan 0.000 0.393 354 T N 2.271 116.903 114.554 0.129 0.000 2.674 354 T HA -0.172 4.178 4.350 -0.000 0.000 0.265 354 T C 1.397 176.311 174.700 0.355 0.000 1.039 354 T CA 0.944 63.198 62.100 0.255 0.000 1.150 354 T CB 0.011 69.040 68.868 0.268 0.000 0.864 354 T HN 0.425 nan 8.240 nan 0.000 0.427 355 E N 1.228 121.573 120.200 0.242 0.000 2.035 355 E HA -0.159 4.191 4.350 -0.000 0.000 0.204 355 E C 2.350 179.068 176.600 0.196 0.000 1.025 355 E CA 1.273 57.802 56.400 0.214 0.000 0.835 355 E CB -0.630 29.137 29.700 0.111 0.000 0.764 355 E HN 0.455 nan 8.360 nan 0.000 0.457 356 L N -0.105 121.201 121.223 0.140 0.000 1.997 356 L HA -0.235 4.105 4.340 -0.000 0.000 0.216 356 L C 2.592 179.498 176.870 0.060 0.000 1.074 356 L CA 1.522 56.422 54.840 0.100 0.000 0.763 356 L CB -0.633 41.484 42.059 0.097 0.000 0.890 356 L HN 0.068 nan 8.230 nan 0.000 0.434 357 F N -0.271 119.585 119.950 -0.156 0.000 2.115 357 F HA -0.319 4.208 4.527 -0.000 0.000 0.300 357 F C 2.302 177.801 175.800 -0.502 0.000 1.092 357 F CA 1.760 59.533 58.000 -0.377 0.000 1.245 357 F CB -0.296 38.345 39.000 -0.597 0.000 0.995 357 F HN -0.018 nan 8.300 nan 0.000 0.481 358 Y N -0.552 119.860 120.300 0.188 0.000 2.286 358 Y HA -0.041 4.509 4.550 -0.000 0.000 0.293 358 Y C 2.273 178.188 175.900 0.025 0.000 1.124 358 Y CA 1.126 59.281 58.100 0.091 0.000 1.178 358 Y CB -0.871 37.657 38.460 0.115 0.000 1.010 358 Y HN -0.074 nan 8.280 nan 0.000 0.536 359 K N 0.408 120.889 120.400 0.136 0.000 2.585 359 K HA -0.016 4.304 4.320 -0.000 0.000 0.194 359 K C 1.117 177.726 176.600 0.014 0.000 1.037 359 K CA 0.867 57.202 56.287 0.080 0.000 0.964 359 K CB -0.464 32.086 32.500 0.083 0.000 0.787 359 K HN 0.509 nan 8.250 nan 0.000 0.488 360 G N 0.741 109.505 108.800 -0.059 0.000 2.141 360 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.231 360 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.231 360 G C -0.033 174.790 174.900 -0.128 0.000 0.984 360 G CA 0.036 45.062 45.100 -0.122 0.000 0.660 360 G HN 0.235 nan 8.290 nan 0.000 0.525 361 I N 1.198 121.710 120.570 -0.097 0.000 2.297 361 I HA 0.473 4.642 4.170 -0.000 0.000 0.291 361 I C 0.551 176.615 176.117 -0.089 0.000 1.033 361 I CA -0.057 61.207 61.300 -0.061 0.000 1.253 361 I CB 0.642 38.642 38.000 0.001 0.000 1.396 361 I HN 0.108 nan 8.210 nan 0.000 0.476 362 R N 6.852 127.290 120.500 -0.104 0.000 2.564 362 R HA 0.411 4.751 4.340 -0.000 0.000 0.284 362 R C -2.769 173.506 176.300 -0.041 0.000 1.031 362 R CA -1.829 54.217 56.100 -0.090 0.000 0.904 362 R CB 2.393 32.552 30.300 -0.234 0.000 1.199 362 R HN 0.284 nan 8.270 nan 0.000 0.443 363 P HA -0.027 nan 4.420 nan 0.000 0.263 363 P C 0.035 177.383 177.300 0.079 0.000 1.195 363 P CA 0.105 63.237 63.100 0.053 0.000 0.762 363 P CB 0.635 32.362 31.700 0.044 0.000 0.799 364 A N 5.031 127.946 122.820 0.159 0.000 2.253 364 A HA 0.004 4.324 4.320 -0.000 0.000 0.225 364 A C 0.812 178.467 177.584 0.118 0.000 1.521 364 A CA -0.107 52.021 52.037 0.152 0.000 1.494 364 A CB -1.622 17.534 19.000 0.260 0.000 0.804 364 A HN 0.530 nan 8.150 nan 0.000 0.614 365 I N 1.170 121.797 120.570 0.095 0.000 2.587 365 I HA -0.047 4.122 4.170 -0.000 0.000 0.284 365 I C 0.780 176.959 176.117 0.103 0.000 1.134 365 I CA -0.163 61.196 61.300 0.099 0.000 1.410 365 I CB 0.355 38.402 38.000 0.079 0.000 1.392 365 I HN 0.354 nan 8.210 nan 0.000 0.545 366 N N 7.040 125.818 118.700 0.129 0.000 2.448 366 N HA 0.040 4.780 4.740 -0.000 0.000 0.250 366 N C 0.840 176.414 175.510 0.107 0.000 1.136 366 N CA 0.050 53.160 53.050 0.100 0.000 0.953 366 N CB 1.144 39.665 38.487 0.057 0.000 1.251 366 N HN 0.441 nan 8.380 nan 0.000 0.502 367 V N 3.737 123.702 119.914 0.085 0.000 2.324 367 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 367 V C 2.305 178.443 176.094 0.074 0.000 1.060 367 V CA 2.379 64.725 62.300 0.078 0.000 1.042 367 V CB -0.930 30.932 31.823 0.066 0.000 0.650 367 V HN 0.740 nan 8.190 nan 0.000 0.450 368 G N -0.459 108.373 108.800 0.053 0.000 2.464 368 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.214 368 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.214 368 G C 1.532 176.464 174.900 0.053 0.000 1.218 368 G CA 0.911 46.033 45.100 0.037 0.000 0.794 368 G HN 0.419 nan 8.290 nan 0.000 0.542 369 L N 0.942 122.175 121.223 0.017 0.000 2.012 369 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 369 L C 1.709 178.836 176.870 0.428 0.000 1.073 369 L CA 0.512 55.356 54.840 0.008 0.000 0.748 369 L CB -0.878 40.827 42.059 -0.589 0.000 0.891 369 L HN 0.118 nan 8.230 nan 0.000 0.431 370 S N -0.624 115.345 115.700 0.448 0.000 2.569 370 S HA 0.305 4.775 4.470 -0.000 0.000 0.274 370 S C -0.071 174.640 174.600 0.186 0.000 1.353 370 S CA -0.422 57.994 58.200 0.361 0.000 1.023 370 S CB 1.340 64.675 63.200 0.226 0.000 0.876 370 S HN 0.109 nan 8.310 nan 0.000 0.540 371 V N -0.028 119.940 119.914 0.089 0.000 3.216 371 V HA 0.740 4.860 4.120 -0.000 0.000 0.302 371 V C -0.502 175.599 176.094 0.013 0.000 1.286 371 V CA -0.935 61.398 62.300 0.055 0.000 1.048 371 V CB 2.063 33.923 31.823 0.061 0.000 1.081 371 V HN 0.738 nan 8.190 nan 0.000 0.442 372 S N 0.215 115.923 115.700 0.014 0.000 2.279 372 S HA 0.373 4.843 4.470 -0.000 0.000 0.176 372 S C 0.894 175.497 174.600 0.005 0.000 1.554 372 S CA -0.636 57.564 58.200 0.001 0.000 1.242 372 S CB 0.431 63.631 63.200 -0.001 0.000 1.163 372 S HN 0.731 nan 8.310 nan 0.000 0.449 373 R N 1.128 121.631 120.500 0.005 0.000 2.112 373 R HA -0.131 4.209 4.340 -0.000 0.000 0.242 373 R C 1.824 178.128 176.300 0.005 0.000 1.137 373 R CA 2.231 58.336 56.100 0.009 0.000 0.944 373 R CB -0.612 29.693 30.300 0.010 0.000 0.857 373 R HN 0.621 nan 8.270 nan 0.000 0.435 374 V N -3.681 116.233 119.914 -0.000 0.000 3.644 374 V HA 0.297 4.417 4.120 -0.000 0.000 0.267 374 V C 1.836 177.926 176.094 -0.007 0.000 1.277 374 V CA 0.949 63.247 62.300 -0.002 0.000 1.096 374 V CB 0.317 32.137 31.823 -0.005 0.000 0.828 374 V HN 0.296 nan 8.190 nan 0.000 0.446 375 G N 0.878 109.673 108.800 -0.008 0.000 2.534 375 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.217 375 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.217 375 G C 1.495 176.390 174.900 -0.009 0.000 1.128 375 G CA 1.010 46.102 45.100 -0.013 0.000 0.784 375 G HN 0.526 nan 8.290 nan 0.000 0.542 376 S N 1.452 117.150 115.700 -0.002 0.000 2.365 376 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 376 S C 2.775 177.374 174.600 -0.002 0.000 1.039 376 S CA 1.295 59.495 58.200 0.000 0.000 1.033 376 S CB -0.462 62.741 63.200 0.005 0.000 0.887 376 S HN 0.574 nan 8.310 nan 0.000 0.447 377 A N 1.257 124.075 122.820 -0.003 0.000 2.019 377 A HA 0.151 4.471 4.320 -0.000 0.000 0.219 377 A C 2.207 179.784 177.584 -0.011 0.000 1.164 377 A CA 1.568 53.602 52.037 -0.005 0.000 0.644 377 A CB -0.796 18.202 19.000 -0.003 0.000 0.805 377 A HN 0.546 nan 8.150 nan 0.000 0.449 378 A N -1.335 121.475 122.820 -0.017 0.000 2.208 378 A HA 0.111 4.431 4.320 -0.000 0.000 0.209 378 A C 1.236 178.805 177.584 -0.025 0.000 1.161 378 A CA 0.227 52.246 52.037 -0.029 0.000 0.782 378 A CB -0.237 18.738 19.000 -0.041 0.000 0.816 378 A HN 0.623 nan 8.150 nan 0.000 0.477 379 Q N 0.999 120.791 119.800 -0.013 0.000 2.327 379 Q HA 0.243 4.583 4.340 -0.000 0.000 0.254 379 Q C -0.487 175.512 176.000 -0.001 0.000 0.952 379 Q CA -0.160 55.639 55.803 -0.006 0.000 0.884 379 Q CB 0.608 29.346 28.738 0.001 0.000 1.224 379 Q HN 0.435 nan 8.270 nan 0.000 0.422 380 T N 2.759 117.315 114.554 0.004 0.000 2.926 380 T HA 0.021 4.371 4.350 -0.000 0.000 0.307 380 T C 0.930 175.639 174.700 0.015 0.000 1.059 380 T CA -0.467 61.639 62.100 0.010 0.000 1.122 380 T CB 0.912 69.790 68.868 0.017 0.000 0.972 380 T HN 0.645 nan 8.240 nan 0.000 0.545 381 R N 2.275 122.784 120.500 0.016 0.000 2.073 381 R HA -0.048 4.292 4.340 -0.000 0.000 0.234 381 R C 2.452 178.769 176.300 0.028 0.000 1.134 381 R CA 1.940 58.052 56.100 0.020 0.000 0.952 381 R CB -1.155 29.156 30.300 0.019 0.000 0.850 381 R HN 0.767 nan 8.270 nan 0.000 0.433 382 A N 0.660 123.498 122.820 0.030 0.000 1.903 382 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 382 A C 2.223 179.836 177.584 0.048 0.000 1.191 382 A CA 2.051 54.112 52.037 0.040 0.000 0.638 382 A CB -0.593 18.427 19.000 0.034 0.000 0.823 382 A HN 0.389 nan 8.150 nan 0.000 0.451 383 M N -1.428 118.195 119.600 0.038 0.000 2.132 383 M HA -0.092 4.388 4.480 -0.000 0.000 0.263 383 M C 2.041 178.360 176.300 0.032 0.000 1.065 383 M CA 1.731 57.053 55.300 0.036 0.000 1.122 383 M CB -0.938 31.679 32.600 0.028 0.000 1.365 383 M HN 0.311 nan 8.290 nan 0.000 0.411 384 K N 0.404 120.820 120.400 0.027 0.000 2.074 384 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 384 K C 1.978 178.594 176.600 0.026 0.000 1.048 384 K CA 1.549 57.849 56.287 0.022 0.000 0.926 384 K CB -0.295 32.216 32.500 0.019 0.000 0.713 384 K HN 0.457 nan 8.250 nan 0.000 0.444 385 Q N -0.574 119.248 119.800 0.036 0.000 2.084 385 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 385 Q C 2.051 178.079 176.000 0.046 0.000 0.978 385 Q CA 1.887 57.718 55.803 0.046 0.000 0.844 385 Q CB -0.037 28.740 28.738 0.065 0.000 0.898 385 Q HN 0.390 nan 8.270 nan 0.000 0.426 386 V N -3.856 116.091 119.914 0.054 0.000 2.690 386 V HA 0.261 4.381 4.120 -0.000 0.000 0.240 386 V C 2.071 178.175 176.094 0.017 0.000 1.078 386 V CA 0.848 63.174 62.300 0.043 0.000 1.102 386 V CB -0.697 31.179 31.823 0.089 0.000 0.800 386 V HN 0.171 nan 8.190 nan 0.000 0.479 387 A N 1.552 124.386 122.820 0.023 0.000 2.019 387 A HA 0.082 4.402 4.320 -0.000 0.000 0.219 387 A C 2.313 179.901 177.584 0.007 0.000 1.164 387 A CA 1.880 53.925 52.037 0.013 0.000 0.644 387 A CB -1.458 17.553 19.000 0.018 0.000 0.805 387 A HN 0.760 nan 8.150 nan 0.000 0.449 388 G N -0.098 108.706 108.800 0.008 0.000 2.476 388 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 388 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 388 G C 1.594 176.492 174.900 -0.003 0.000 1.164 388 G CA 1.909 47.012 45.100 0.005 0.000 0.768 388 G HN 0.813 nan 8.290 nan 0.000 0.560 389 T N -2.310 112.236 114.554 -0.012 0.000 3.219 389 T HA 0.330 4.680 4.350 -0.000 0.000 0.249 389 T C 1.939 176.622 174.700 -0.029 0.000 1.099 389 T CA 0.577 62.663 62.100 -0.023 0.000 0.988 389 T CB 0.201 69.047 68.868 -0.036 0.000 0.999 389 T HN 0.247 nan 8.240 nan 0.000 0.550 390 M N 0.269 119.857 119.600 -0.021 0.000 2.299 390 M HA 0.274 4.754 4.480 -0.000 0.000 0.264 390 M C 2.333 178.626 176.300 -0.012 0.000 1.095 390 M CA 1.151 56.436 55.300 -0.025 0.000 1.165 390 M CB 0.040 32.628 32.600 -0.020 0.000 1.349 390 M HN 0.118 nan 8.290 nan 0.000 0.446 391 K N 0.371 120.771 120.400 0.001 0.000 2.155 391 K HA -0.049 4.271 4.320 -0.000 0.000 0.203 391 K C 1.748 178.356 176.600 0.013 0.000 1.052 391 K CA 0.933 57.228 56.287 0.013 0.000 0.948 391 K CB -0.133 32.378 32.500 0.018 0.000 0.728 391 K HN 0.368 nan 8.250 nan 0.000 0.448 392 L N 0.367 121.592 121.223 0.003 0.000 1.989 392 L HA -0.225 4.115 4.340 -0.000 0.000 0.211 392 L C 2.173 179.045 176.870 0.003 0.000 1.071 392 L CA 1.649 56.490 54.840 0.001 0.000 0.749 392 L CB -0.672 41.383 42.059 -0.007 0.000 0.890 392 L HN 0.205 nan 8.230 nan 0.000 0.431 393 E N 0.465 120.661 120.200 -0.007 0.000 2.077 393 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 393 E C 2.388 179.005 176.600 0.027 0.000 0.989 393 E CA 1.035 57.430 56.400 -0.009 0.000 0.800 393 E CB -0.165 29.509 29.700 -0.044 0.000 0.746 393 E HN 0.427 nan 8.360 nan 0.000 0.452 394 L N 0.387 121.626 121.223 0.028 0.000 2.275 394 L HA -0.127 4.213 4.340 -0.000 0.000 0.215 394 L C 2.423 179.362 176.870 0.115 0.000 1.119 394 L CA 0.522 55.413 54.840 0.086 0.000 0.790 394 L CB -0.322 41.770 42.059 0.056 0.000 0.919 394 L HN 0.165 nan 8.230 nan 0.000 0.443 395 A N -0.122 122.734 122.820 0.060 0.000 1.873 395 A HA -0.222 4.098 4.320 -0.000 0.000 0.215 395 A C 2.115 179.718 177.584 0.033 0.000 1.186 395 A CA 1.264 53.324 52.037 0.038 0.000 0.616 395 A CB -0.354 18.658 19.000 0.019 0.000 0.823 395 A HN 0.484 nan 8.150 nan 0.000 0.442 396 Q N -2.436 117.389 119.800 0.042 0.000 2.488 396 Q HA -0.059 4.281 4.340 -0.000 0.000 0.211 396 Q C 1.444 177.482 176.000 0.063 0.000 0.967 396 Q CA 1.114 56.935 55.803 0.032 0.000 0.926 396 Q CB -0.152 28.600 28.738 0.024 0.000 0.992 396 Q HN 0.888 nan 8.270 nan 0.000 0.506 397 Y N -0.045 120.231 120.300 -0.040 0.000 2.524 397 Y HA 0.182 4.732 4.550 -0.000 0.000 0.270 397 Y C 1.954 177.825 175.900 -0.048 0.000 1.094 397 Y CA 0.089 58.162 58.100 -0.044 0.000 1.276 397 Y CB 0.351 38.786 38.460 -0.040 0.000 1.130 397 Y HN -0.198 nan 8.280 nan 0.000 0.536 398 R N 0.629 121.091 120.500 -0.064 0.000 2.105 398 R HA -0.196 4.144 4.340 -0.000 0.000 0.239 398 R C 1.900 178.059 176.300 -0.236 0.000 1.135 398 R CA 2.021 58.032 56.100 -0.147 0.000 0.967 398 R CB -0.063 30.215 30.300 -0.036 0.000 0.861 398 R HN 0.461 nan 8.270 nan 0.000 0.442 399 E N -0.531 119.558 120.200 -0.185 0.000 1.999 399 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 399 E C 1.789 178.245 176.600 -0.240 0.000 0.995 399 E CA 1.597 57.889 56.400 -0.181 0.000 0.825 399 E CB 0.068 29.698 29.700 -0.116 0.000 0.777 399 E HN 0.035 nan 8.360 nan 0.000 0.459 400 V N 1.105 120.884 119.914 -0.224 0.000 2.794 400 V HA -0.178 3.942 4.120 -0.000 0.000 0.260 400 V C 1.176 177.092 176.094 -0.298 0.000 1.103 400 V CA 1.188 63.358 62.300 -0.217 0.000 1.125 400 V CB -0.992 30.745 31.823 -0.144 0.000 0.702 400 V HN 0.299 nan 8.190 nan 0.000 0.494 401 A N 0.693 123.235 122.820 -0.463 0.000 2.990 401 A HA 0.655 4.975 4.320 -0.000 0.000 0.282 401 A C 0.743 178.102 177.584 -0.375 0.000 1.688 401 A CA 0.340 52.083 52.037 -0.491 0.000 1.391 401 A CB -0.735 17.746 19.000 -0.864 0.000 1.112 401 A HN 0.501 nan 8.150 nan 0.000 0.588 402 A N 0.743 123.369 122.820 -0.322 0.000 2.280 402 A HA 0.630 4.950 4.320 -0.000 0.000 0.268 402 A C 0.592 178.017 177.584 -0.266 0.000 1.111 402 A CA -0.321 51.478 52.037 -0.398 0.000 0.814 402 A CB -0.087 18.739 19.000 -0.290 0.000 1.093 402 A HN 0.600 nan 8.150 nan 0.000 0.498 403 F N 0.368 120.261 119.950 -0.095 0.000 2.206 403 F HA 0.137 4.664 4.527 -0.000 0.000 0.298 403 F C 2.049 177.774 175.800 -0.125 0.000 1.090 403 F CA 0.444 58.390 58.000 -0.091 0.000 1.323 403 F CB -1.191 37.770 39.000 -0.066 0.000 1.028 403 F HN 0.468 nan 8.300 nan 0.000 0.492 404 A N 1.297 124.132 122.820 0.024 0.000 2.553 404 A HA -0.042 4.278 4.320 -0.000 0.000 0.258 404 A C 1.295 178.760 177.584 -0.198 0.000 1.069 404 A CA -0.012 51.983 52.037 -0.069 0.000 0.767 404 A CB -0.198 18.769 19.000 -0.054 0.000 0.997 404 A HN 0.562 nan 8.150 nan 0.000 0.512 405 Q N 1.353 120.901 119.800 -0.419 0.000 2.187 405 Q HA 0.012 4.352 4.340 -0.000 0.000 0.199 405 Q C -0.750 174.688 176.000 -0.937 0.000 0.957 405 Q CA 0.953 56.270 55.803 -0.809 0.000 0.857 405 Q CB 0.161 28.164 28.738 -1.226 0.000 0.929 405 Q HN 0.849 nan 8.270 nan 0.000 0.453 406 F N 0.462 120.425 119.950 0.022 0.000 2.310 406 F HA 0.530 5.057 4.527 -0.000 0.000 0.365 406 F C 0.326 176.131 175.800 0.008 0.000 1.080 406 F CA -1.042 56.967 58.000 0.015 0.000 1.187 406 F CB 1.158 40.167 39.000 0.015 0.000 1.465 406 F HN -0.211 nan 8.300 nan 0.000 0.496 407 G N 0.666 109.522 108.800 0.094 0.000 2.666 407 G HA2 0.480 4.440 3.960 -0.000 0.000 0.303 407 G HA3 0.480 4.440 3.960 -0.000 0.000 0.303 407 G C -1.019 173.909 174.900 0.047 0.000 1.412 407 G CA -0.760 44.370 45.100 0.050 0.000 0.979 407 G HN 0.321 nan 8.290 nan 0.000 0.507 408 S N 2.079 117.805 115.700 0.043 0.000 2.489 408 S HA 0.418 4.888 4.470 -0.000 0.000 0.277 408 S C -0.446 174.163 174.600 0.015 0.000 1.230 408 S CA -0.572 57.648 58.200 0.032 0.000 1.053 408 S CB 1.280 64.499 63.200 0.031 0.000 0.955 408 S HN 0.593 nan 8.310 nan 0.000 0.488 409 D N 1.709 122.115 120.400 0.010 0.000 2.340 409 D HA 0.635 5.275 4.640 -0.000 0.000 0.243 409 D C -0.098 176.202 176.300 0.000 0.000 0.988 409 D CA -0.421 53.579 54.000 0.000 0.000 0.959 409 D CB 1.499 42.295 40.800 -0.006 0.000 1.226 409 D HN 0.284 nan 8.370 nan 0.000 0.509 410 L N -0.351 120.869 121.223 -0.005 0.000 2.171 410 L HA 0.414 4.754 4.340 -0.000 0.000 0.253 410 L C -0.650 176.216 176.870 -0.008 0.000 1.054 410 L CA -1.054 53.782 54.840 -0.005 0.000 0.927 410 L CB 1.129 43.185 42.059 -0.006 0.000 1.513 410 L HN 0.385 nan 8.230 nan 0.000 0.471 411 D N -0.225 120.170 120.400 -0.008 0.000 7.535 411 D HA -0.138 4.502 4.640 -0.000 0.000 0.259 411 D C 0.474 176.769 176.300 -0.010 0.000 2.071 411 D CA 0.708 54.702 54.000 -0.010 0.000 1.897 411 D CB 0.304 41.096 40.800 -0.013 0.000 0.821 411 D HN 0.758 nan 8.370 nan 0.000 0.521 412 A N 4.027 126.841 122.820 -0.010 0.000 1.883 412 A HA 0.139 4.459 4.320 -0.000 0.000 0.217 412 A C 2.403 179.979 177.584 -0.013 0.000 1.186 412 A CA 3.159 55.189 52.037 -0.011 0.000 0.624 412 A CB -0.831 18.162 19.000 -0.013 0.000 0.822 412 A HN 1.159 nan 8.150 nan 0.000 0.444 413 A N -0.126 122.686 122.820 -0.014 0.000 1.834 413 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 413 A C 2.439 180.016 177.584 -0.011 0.000 1.203 413 A CA 3.072 55.100 52.037 -0.015 0.000 0.621 413 A CB -1.743 17.247 19.000 -0.016 0.000 0.841 413 A HN 0.776 nan 8.150 nan 0.000 0.446 414 T N -1.477 113.071 114.554 -0.011 0.000 2.778 414 T HA -0.271 4.079 4.350 -0.000 0.000 0.269 414 T C 1.882 176.582 174.700 -0.000 0.000 1.050 414 T CA 1.797 63.891 62.100 -0.009 0.000 1.137 414 T CB -0.456 68.401 68.868 -0.018 0.000 0.860 414 T HN 0.599 nan 8.240 nan 0.000 0.468 415 Q N 0.667 120.465 119.800 -0.002 0.000 2.020 415 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 415 Q C 2.746 178.750 176.000 0.008 0.000 0.982 415 Q CA 1.664 57.469 55.803 0.003 0.000 0.838 415 Q CB -0.242 28.495 28.738 -0.002 0.000 0.899 415 Q HN 0.724 nan 8.270 nan 0.000 0.423 416 Q N 0.849 120.646 119.800 -0.004 0.000 2.096 416 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 416 Q C 2.026 178.024 176.000 -0.004 0.000 0.982 416 Q CA 1.370 57.164 55.803 -0.014 0.000 0.850 416 Q CB -0.255 28.467 28.738 -0.026 0.000 0.901 416 Q HN 0.427 nan 8.270 nan 0.000 0.422 417 L N 0.513 121.744 121.223 0.013 0.000 1.989 417 L HA -0.223 4.117 4.340 -0.000 0.000 0.211 417 L C 2.765 179.705 176.870 0.116 0.000 1.071 417 L CA 1.149 56.014 54.840 0.041 0.000 0.749 417 L CB -0.709 41.371 42.059 0.036 0.000 0.890 417 L HN 0.229 nan 8.230 nan 0.000 0.431 418 L N -0.462 120.839 121.223 0.131 0.000 2.127 418 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 418 L C 2.686 179.662 176.870 0.178 0.000 1.089 418 L CA 1.076 56.063 54.840 0.246 0.000 0.757 418 L CB -0.412 41.718 42.059 0.117 0.000 0.899 418 L HN 0.266 nan 8.230 nan 0.000 0.434 419 S N -0.974 114.755 115.700 0.049 0.000 2.387 419 S HA -0.065 4.405 4.470 -0.000 0.000 0.226 419 S C 2.020 176.559 174.600 -0.101 0.000 1.026 419 S CA 0.581 58.768 58.200 -0.021 0.000 0.972 419 S CB -0.119 63.065 63.200 -0.028 0.000 0.814 419 S HN 0.338 nan 8.310 nan 0.000 0.477 420 R N 1.175 121.606 120.500 -0.115 0.000 2.070 420 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 420 R C 2.701 178.811 176.300 -0.318 0.000 1.138 420 R CA 1.405 57.399 56.100 -0.177 0.000 0.936 420 R CB -1.473 28.742 30.300 -0.141 0.000 0.839 420 R HN 0.500 nan 8.270 nan 0.000 0.429 421 G N 1.400 109.908 108.800 -0.487 0.000 2.679 421 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.222 421 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.222 421 G C 1.510 175.664 174.900 -1.244 0.000 1.164 421 G CA 2.181 46.452 45.100 -1.381 0.000 0.769 421 G HN 0.374 nan 8.290 nan 0.000 0.610 422 V N -1.658 117.828 119.914 -0.714 0.000 2.667 422 V HA 0.027 4.147 4.120 -0.000 0.000 0.252 422 V C 2.682 178.637 176.094 -0.231 0.000 1.065 422 V CA 1.846 63.951 62.300 -0.324 0.000 1.083 422 V CB -0.418 31.345 31.823 -0.100 0.000 0.692 422 V HN 0.231 nan 8.190 nan 0.000 0.468 423 R N 0.694 121.052 120.500 -0.237 0.000 2.052 423 R HA 0.191 4.531 4.340 -0.000 0.000 0.226 423 R C 2.446 178.636 176.300 -0.183 0.000 1.145 423 R CA 1.549 57.537 56.100 -0.186 0.000 0.952 423 R CB -1.186 29.001 30.300 -0.189 0.000 0.847 423 R HN 0.475 nan 8.270 nan 0.000 0.431 424 L N 0.930 122.025 121.223 -0.214 0.000 2.051 424 L HA -0.217 4.123 4.340 -0.000 0.000 0.214 424 L C 2.363 179.147 176.870 -0.142 0.000 1.076 424 L CA 1.917 56.654 54.840 -0.172 0.000 0.758 424 L CB -1.018 40.932 42.059 -0.182 0.000 0.890 424 L HN 0.250 nan 8.230 nan 0.000 0.433 425 T N -1.057 113.386 114.554 -0.184 0.000 2.803 425 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 425 T C 1.706 176.363 174.700 -0.071 0.000 1.052 425 T CA 1.148 63.180 62.100 -0.113 0.000 1.136 425 T CB -0.144 68.656 68.868 -0.114 0.000 0.864 425 T HN 0.342 nan 8.240 nan 0.000 0.467 426 E N 0.960 121.110 120.200 -0.082 0.000 2.208 426 E HA 0.081 4.431 4.350 -0.000 0.000 0.193 426 E C 2.245 178.822 176.600 -0.038 0.000 0.988 426 E CA 0.438 56.807 56.400 -0.052 0.000 0.828 426 E CB -0.255 29.413 29.700 -0.053 0.000 0.763 426 E HN 0.484 nan 8.360 nan 0.000 0.478 427 L N 0.335 121.527 121.223 -0.052 0.000 2.156 427 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 427 L C 2.286 179.148 176.870 -0.014 0.000 1.095 427 L CA 0.652 55.474 54.840 -0.030 0.000 0.770 427 L CB -0.303 41.729 42.059 -0.045 0.000 0.914 427 L HN 0.098 nan 8.230 nan 0.000 0.439 428 L N -0.729 120.481 121.223 -0.021 0.000 2.492 428 L HA -0.012 4.328 4.340 -0.000 0.000 0.223 428 L C 0.838 177.704 176.870 -0.007 0.000 1.132 428 L CA 0.269 55.104 54.840 -0.009 0.000 0.850 428 L CB -0.474 41.581 42.059 -0.007 0.000 0.966 428 L HN 0.130 nan 8.230 nan 0.000 0.454 429 K N 1.809 122.201 120.400 -0.013 0.000 2.382 429 K HA 0.260 4.580 4.320 -0.000 0.000 0.275 429 K C -0.234 176.358 176.600 -0.013 0.000 1.009 429 K CA 0.187 56.463 56.287 -0.019 0.000 0.970 429 K CB 0.854 33.339 32.500 -0.025 0.000 0.934 429 K HN 0.105 nan 8.250 nan 0.000 0.479 430 Q N 0.293 120.080 119.800 -0.022 0.000 2.320 430 Q HA 0.272 4.612 4.340 -0.000 0.000 0.272 430 Q C -0.524 175.455 176.000 -0.035 0.000 1.023 430 Q CA -0.559 55.233 55.803 -0.018 0.000 0.855 430 Q CB 2.371 31.100 28.738 -0.014 0.000 1.367 430 Q HN 0.866 nan 8.270 nan 0.000 0.406 431 G N 1.138 109.921 108.800 -0.027 0.000 2.588 431 G HA2 0.270 4.229 3.960 -0.000 0.000 0.278 431 G HA3 0.270 4.229 3.960 -0.000 0.000 0.278 431 G C -0.355 174.495 174.900 -0.083 0.000 1.307 431 G CA -0.163 44.913 45.100 -0.039 0.000 1.016 431 G HN 0.498 nan 8.290 nan 0.000 0.503 432 Q N -1.659 118.055 119.800 -0.144 0.000 2.199 432 Q HA 0.332 4.672 4.340 -0.000 0.000 0.232 432 Q C -0.606 175.240 176.000 -0.256 0.000 0.969 432 Q CA -0.608 54.950 55.803 -0.408 0.000 0.925 432 Q CB 0.884 29.064 28.738 -0.931 0.000 1.198 432 Q HN 0.537 nan 8.270 nan 0.000 0.494 433 Y N -1.501 118.804 120.300 0.008 0.000 4.324 433 Y HA -0.257 4.293 4.550 -0.000 0.000 0.224 433 Y C 0.075 175.978 175.900 0.004 0.000 1.113 433 Y CA 0.724 58.826 58.100 0.004 0.000 1.887 433 Y CB -2.268 36.191 38.460 -0.002 0.000 1.602 433 Y HN 0.372 nan 8.280 nan 0.000 0.654 434 S N -0.542 115.202 115.700 0.074 0.000 2.474 434 S HA 0.301 4.771 4.470 -0.000 0.000 0.224 434 S C -2.416 172.201 174.600 0.028 0.000 1.209 434 S CA -0.907 57.327 58.200 0.057 0.000 1.212 434 S CB 0.700 63.931 63.200 0.051 0.000 1.137 434 S HN 0.022 nan 8.310 nan 0.000 0.446 435 P HA 0.074 nan 4.420 nan 0.000 0.262 435 P C -0.316 176.992 177.300 0.013 0.000 1.182 435 P CA 0.424 63.538 63.100 0.024 0.000 0.761 435 P CB 0.256 31.980 31.700 0.040 0.000 0.795 436 M N 1.914 121.521 119.600 0.011 0.000 2.342 436 M HA 0.498 4.978 4.480 -0.000 0.000 0.332 436 M C 0.589 176.886 176.300 -0.004 0.000 1.166 436 M CA -0.860 54.440 55.300 0.000 0.000 1.086 436 M CB 1.405 34.009 32.600 0.007 0.000 1.541 436 M HN 0.284 nan 8.290 nan 0.000 0.462 437 A N 1.571 124.374 122.820 -0.028 0.000 2.401 437 A HA 0.218 4.538 4.320 -0.000 0.000 0.259 437 A C 0.962 178.541 177.584 -0.008 0.000 1.103 437 A CA -0.470 51.542 52.037 -0.042 0.000 0.789 437 A CB 0.027 18.981 19.000 -0.077 0.000 1.035 437 A HN 0.935 nan 8.150 nan 0.000 0.491 438 I N 1.486 122.067 120.570 0.018 0.000 2.181 438 I HA -0.300 3.870 4.170 -0.000 0.000 0.247 438 I C 2.555 178.682 176.117 0.017 0.000 1.081 438 I CA 2.559 63.877 61.300 0.031 0.000 1.340 438 I CB -0.185 37.845 38.000 0.050 0.000 1.036 438 I HN 0.864 nan 8.210 nan 0.000 0.417 439 E N 0.230 120.430 120.200 -0.000 0.000 2.204 439 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 439 E C 1.782 178.373 176.600 -0.014 0.000 0.989 439 E CA 1.510 57.904 56.400 -0.010 0.000 0.824 439 E CB -0.673 29.012 29.700 -0.026 0.000 0.756 439 E HN 0.663 nan 8.360 nan 0.000 0.477 440 E N 0.951 121.140 120.200 -0.019 0.000 2.107 440 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 440 E C 2.325 178.937 176.600 0.020 0.000 0.982 440 E CA 1.111 57.499 56.400 -0.019 0.000 0.809 440 E CB -0.052 29.629 29.700 -0.031 0.000 0.756 440 E HN 0.402 nan 8.360 nan 0.000 0.459 441 Q N 0.451 120.267 119.800 0.027 0.000 2.020 441 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 441 Q C 2.462 178.501 176.000 0.066 0.000 0.982 441 Q CA 1.533 57.362 55.803 0.044 0.000 0.838 441 Q CB -0.206 28.553 28.738 0.036 0.000 0.899 441 Q HN 0.154 nan 8.270 nan 0.000 0.423 442 V N 1.467 121.418 119.914 0.061 0.000 2.332 442 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 442 V C 2.346 178.520 176.094 0.133 0.000 1.055 442 V CA 1.842 64.194 62.300 0.087 0.000 1.038 442 V CB -1.216 30.646 31.823 0.067 0.000 0.651 442 V HN 0.423 nan 8.190 nan 0.000 0.450 443 A N 0.712 123.590 122.820 0.096 0.000 1.849 443 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 443 A C 2.495 180.246 177.584 0.278 0.000 1.202 443 A CA 2.902 55.015 52.037 0.128 0.000 0.629 443 A CB -1.114 17.910 19.000 0.040 0.000 0.834 443 A HN 0.713 nan 8.150 nan 0.000 0.447 444 V N -0.638 119.434 119.914 0.262 0.000 2.332 444 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 444 V C 2.155 178.334 176.094 0.142 0.000 1.055 444 V CA 2.186 64.643 62.300 0.262 0.000 1.038 444 V CB -0.870 31.080 31.823 0.212 0.000 0.651 444 V HN 0.470 nan 8.190 nan 0.000 0.450 445 I N -0.265 120.376 120.570 0.119 0.000 2.264 445 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 445 I C 2.571 178.743 176.117 0.091 0.000 1.111 445 I CA 2.530 63.874 61.300 0.073 0.000 1.382 445 I CB -1.567 36.468 38.000 0.060 0.000 1.060 445 I HN 0.547 nan 8.210 nan 0.000 0.418 446 Y N 2.276 122.595 120.300 0.032 0.000 2.114 446 Y HA -0.301 4.249 4.550 -0.000 0.000 0.282 446 Y C 2.666 178.601 175.900 0.058 0.000 1.165 446 Y CA 2.045 60.173 58.100 0.047 0.000 1.148 446 Y CB -0.373 38.120 38.460 0.055 0.000 0.972 446 Y HN 0.134 nan 8.280 nan 0.000 0.504 447 A N 0.012 122.966 122.820 0.223 0.000 1.892 447 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 447 A C 2.478 180.039 177.584 -0.039 0.000 1.188 447 A CA 2.066 54.135 52.037 0.053 0.000 0.631 447 A CB -1.703 17.130 19.000 -0.279 0.000 0.822 447 A HN 0.617 nan 8.150 nan 0.000 0.447 448 G N -0.904 107.832 108.800 -0.107 0.000 2.404 448 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.213 448 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.213 448 G C 1.442 176.251 174.900 -0.151 0.000 1.189 448 G CA 1.093 46.100 45.100 -0.155 0.000 0.796 448 G HN 0.360 nan 8.290 nan 0.000 0.532 449 V N 1.009 120.843 119.914 -0.132 0.000 2.594 449 V HA -0.068 4.052 4.120 -0.000 0.000 0.253 449 V C 2.769 178.739 176.094 -0.206 0.000 1.069 449 V CA 1.280 63.491 62.300 -0.148 0.000 1.082 449 V CB -0.433 31.321 31.823 -0.114 0.000 0.680 449 V HN 0.167 nan 8.190 nan 0.000 0.469 450 R N 0.015 120.358 120.500 -0.262 0.000 2.246 450 R HA 0.196 4.536 4.340 -0.000 0.000 0.199 450 R C 1.865 177.885 176.300 -0.468 0.000 0.984 450 R CA 0.879 56.769 56.100 -0.349 0.000 1.015 450 R CB -0.181 29.905 30.300 -0.356 0.000 0.930 450 R HN 0.611 nan 8.270 nan 0.000 0.475 451 G N -0.233 108.339 108.800 -0.381 0.000 2.201 451 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.212 451 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.212 451 G C 0.458 175.112 174.900 -0.410 0.000 0.994 451 G CA -0.021 44.845 45.100 -0.389 0.000 0.644 451 G HN 0.323 nan 8.290 nan 0.000 0.508 452 Y N 0.617 120.802 120.300 -0.191 0.000 2.736 452 Y HA 0.263 4.813 4.550 -0.000 0.000 0.298 452 Y C 2.357 178.071 175.900 -0.311 0.000 1.156 452 Y CA 1.345 59.328 58.100 -0.195 0.000 1.384 452 Y CB -0.090 38.281 38.460 -0.149 0.000 0.976 452 Y HN 0.391 nan 8.280 nan 0.000 0.556 453 L N -1.680 119.395 121.223 -0.247 0.000 2.966 453 L HA 0.174 4.514 4.340 -0.000 0.000 0.262 453 L C 0.880 177.619 176.870 -0.218 0.000 1.165 453 L CA -0.101 54.541 54.840 -0.330 0.000 0.978 453 L CB 0.226 42.016 42.059 -0.449 0.000 1.337 453 L HN -0.065 nan 8.230 nan 0.000 0.563 454 D N 1.356 121.646 120.400 -0.183 0.000 2.104 454 D HA -0.199 4.441 4.640 -0.000 0.000 0.194 454 D C 1.933 178.173 176.300 -0.101 0.000 0.994 454 D CA 1.359 55.275 54.000 -0.140 0.000 0.830 454 D CB 0.125 40.840 40.800 -0.141 0.000 0.959 454 D HN 0.073 nan 8.370 nan 0.000 0.452 455 K N -0.646 119.701 120.400 -0.088 0.000 2.574 455 K HA -0.022 4.298 4.320 -0.000 0.000 0.193 455 K C 0.044 176.625 176.600 -0.032 0.000 1.035 455 K CA -0.025 56.233 56.287 -0.048 0.000 0.982 455 K CB 0.132 32.614 32.500 -0.030 0.000 0.795 455 K HN -0.017 nan 8.250 nan 0.000 0.491 456 L N 0.960 122.148 121.223 -0.059 0.000 2.352 456 L HA 0.280 4.620 4.340 -0.000 0.000 0.269 456 L C -0.745 176.105 176.870 -0.033 0.000 1.034 456 L CA -0.414 54.403 54.840 -0.038 0.000 0.806 456 L CB 1.676 43.681 42.059 -0.091 0.000 1.244 456 L HN -0.035 nan 8.230 nan 0.000 0.447 457 E N 4.317 124.520 120.200 0.005 0.000 2.194 457 E HA 0.190 4.540 4.350 -0.000 0.000 0.284 457 E C -1.654 174.950 176.600 0.006 0.000 1.035 457 E CA -1.538 54.869 56.400 0.011 0.000 0.836 457 E CB 1.024 30.744 29.700 0.034 0.000 1.070 457 E HN 0.425 nan 8.360 nan 0.000 0.401 458 P HA -0.259 nan 4.420 nan 0.000 0.219 458 P C 1.244 178.549 177.300 0.008 0.000 1.149 458 P CA 1.264 64.353 63.100 -0.017 0.000 0.835 458 P CB 0.249 31.940 31.700 -0.016 0.000 0.778 459 S N -1.866 113.852 115.700 0.029 0.000 2.489 459 S HA -0.020 4.450 4.470 -0.000 0.000 0.228 459 S C 1.658 176.302 174.600 0.075 0.000 0.995 459 S CA 0.718 58.946 58.200 0.046 0.000 0.934 459 S CB -0.448 62.781 63.200 0.047 0.000 0.771 459 S HN -0.029 nan 8.310 nan 0.000 0.522 460 K N 1.495 121.950 120.400 0.092 0.000 2.262 460 K HA 0.165 4.485 4.320 -0.000 0.000 0.200 460 K C 1.861 178.556 176.600 0.157 0.000 1.049 460 K CA 0.216 56.604 56.287 0.169 0.000 0.979 460 K CB -0.476 32.166 32.500 0.237 0.000 0.773 460 K HN 0.369 nan 8.250 nan 0.000 0.474 461 I N 1.446 122.050 120.570 0.057 0.000 2.103 461 I HA -0.365 3.805 4.170 -0.000 0.000 0.241 461 I C 1.972 178.142 176.117 0.087 0.000 1.036 461 I CA 1.803 63.109 61.300 0.012 0.000 1.300 461 I CB -1.984 35.984 38.000 -0.054 0.000 1.010 461 I HN 0.127 nan 8.210 nan 0.000 0.406 462 T N 1.002 115.604 114.554 0.079 0.000 2.597 462 T HA -0.283 4.067 4.350 -0.000 0.000 0.267 462 T C 1.976 176.756 174.700 0.133 0.000 1.053 462 T CA 2.226 64.378 62.100 0.088 0.000 1.165 462 T CB -0.352 68.556 68.868 0.067 0.000 0.863 462 T HN 0.359 nan 8.240 nan 0.000 0.427 463 K N -0.072 120.434 120.400 0.177 0.000 2.103 463 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 463 K C 2.148 178.920 176.600 0.286 0.000 1.048 463 K CA 1.315 57.752 56.287 0.250 0.000 0.930 463 K CB -0.339 32.349 32.500 0.314 0.000 0.716 463 K HN 0.347 nan 8.250 nan 0.000 0.444 464 F N 2.206 122.162 119.950 0.009 0.000 2.102 464 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 464 F C 2.261 177.980 175.800 -0.135 0.000 1.105 464 F CA 2.019 59.823 58.000 -0.326 0.000 1.239 464 F CB -0.368 38.356 39.000 -0.459 0.000 0.991 464 F HN 0.179 nan 8.300 nan 0.000 0.474 465 E N 0.335 120.677 120.200 0.238 0.000 2.033 465 E HA -0.331 4.019 4.350 -0.000 0.000 0.199 465 E C 1.865 178.505 176.600 0.066 0.000 1.011 465 E CA 2.198 58.710 56.400 0.186 0.000 0.815 465 E CB -0.383 29.409 29.700 0.152 0.000 0.755 465 E HN 0.624 nan 8.360 nan 0.000 0.451 466 N N 0.474 119.214 118.700 0.067 0.000 2.036 466 N HA -0.211 4.529 4.740 -0.000 0.000 0.195 466 N C 1.844 177.368 175.510 0.024 0.000 1.037 466 N CA 1.653 54.731 53.050 0.048 0.000 0.855 466 N CB -0.361 38.171 38.487 0.074 0.000 1.033 466 N HN 0.248 nan 8.380 nan 0.000 0.423 467 A N 0.509 123.370 122.820 0.068 0.000 1.902 467 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 467 A C 2.015 179.549 177.584 -0.084 0.000 1.181 467 A CA 1.162 53.297 52.037 0.163 0.000 0.623 467 A CB -0.936 18.353 19.000 0.482 0.000 0.818 467 A HN 0.452 nan 8.150 nan 0.000 0.443 468 F N -0.534 118.923 119.950 -0.821 0.000 2.367 468 F HA 0.037 4.564 4.527 -0.000 0.000 0.298 468 F C 1.620 177.024 175.800 -0.659 0.000 1.094 468 F CA 1.005 58.060 58.000 -1.575 0.000 1.409 468 F CB -0.009 37.723 39.000 -2.113 0.000 1.064 468 F HN 0.172 nan 8.300 nan 0.000 0.528 469 L N 0.496 121.473 121.223 -0.410 0.000 2.049 469 L HA -0.064 4.276 4.340 -0.000 0.000 0.203 469 L C 2.878 179.599 176.870 -0.247 0.000 1.074 469 L CA 2.126 56.775 54.840 -0.320 0.000 0.749 469 L CB -1.300 40.700 42.059 -0.098 0.000 0.907 469 L HN 0.329 nan 8.230 nan 0.000 0.439 470 S N -1.567 114.059 115.700 -0.122 0.000 2.383 470 S HA -0.321 4.149 4.470 -0.000 0.000 0.229 470 S C 2.204 176.778 174.600 -0.043 0.000 1.030 470 S CA 1.496 59.664 58.200 -0.053 0.000 1.002 470 S CB -1.035 62.173 63.200 0.012 0.000 0.829 470 S HN 0.685 nan 8.310 nan 0.000 0.467 471 H N 1.461 120.436 119.070 -0.158 0.000 2.267 471 H HA -0.097 4.459 4.556 -0.000 0.000 0.297 471 H C 2.373 177.627 175.328 -0.124 0.000 1.080 471 H CA 2.504 58.498 56.048 -0.091 0.000 1.278 471 H CB -0.383 29.343 29.762 -0.061 0.000 1.365 471 H HN 0.490 nan 8.280 nan 0.000 0.489 472 V N -0.601 119.103 119.914 -0.351 0.000 2.970 472 V HA -0.061 4.059 4.120 -0.000 0.000 0.260 472 V C 2.333 178.317 176.094 -0.184 0.000 1.100 472 V CA 1.230 63.334 62.300 -0.327 0.000 1.122 472 V CB -0.683 30.826 31.823 -0.523 0.000 0.721 472 V HN 0.323 nan 8.190 nan 0.000 0.483 473 I N 1.119 121.583 120.570 -0.176 0.000 2.480 473 I HA -0.087 4.083 4.170 -0.000 0.000 0.251 473 I C 2.799 178.854 176.117 -0.103 0.000 1.124 473 I CA 1.457 62.683 61.300 -0.123 0.000 1.444 473 I CB -0.244 37.693 38.000 -0.106 0.000 1.098 473 I HN 0.487 nan 8.210 nan 0.000 0.428 474 S N 0.478 116.115 115.700 -0.106 0.000 2.325 474 S HA -0.168 4.302 4.470 -0.000 0.000 0.213 474 S C 2.073 176.590 174.600 -0.138 0.000 1.031 474 S CA 1.007 59.148 58.200 -0.099 0.000 0.984 474 S CB -0.148 63.008 63.200 -0.073 0.000 0.939 474 S HN 0.280 nan 8.310 nan 0.000 0.438 475 Q N 0.560 120.250 119.800 -0.183 0.000 2.049 475 Q HA 0.019 4.359 4.340 -0.000 0.000 0.198 475 Q C 0.770 176.484 176.000 -0.476 0.000 0.971 475 Q CA 1.350 56.966 55.803 -0.312 0.000 0.833 475 Q CB -0.669 27.847 28.738 -0.370 0.000 0.896 475 Q HN 0.793 nan 8.270 nan 0.000 0.434 476 H N 0.736 119.675 119.070 -0.219 0.000 2.638 476 H HA 0.180 4.736 4.556 -0.000 0.000 0.293 476 H C 0.977 176.219 175.328 -0.144 0.000 1.316 476 H CA -0.097 55.847 56.048 -0.173 0.000 1.099 476 H CB 0.132 29.781 29.762 -0.190 0.000 1.515 476 H HN 0.119 nan 8.280 nan 0.000 0.505 477 Q N 0.314 120.064 119.800 -0.083 0.000 2.437 477 Q HA -0.050 4.290 4.340 -0.000 0.000 0.210 477 Q C 2.067 178.033 176.000 -0.057 0.000 0.972 477 Q CA 0.810 56.571 55.803 -0.070 0.000 0.903 477 Q CB 0.177 28.868 28.738 -0.079 0.000 0.967 477 Q HN 0.655 nan 8.270 nan 0.000 0.486 478 A N 1.046 123.832 122.820 -0.057 0.000 1.898 478 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 478 A C 1.976 179.545 177.584 -0.025 0.000 1.181 478 A CA 0.884 52.894 52.037 -0.045 0.000 0.620 478 A CB -0.436 18.530 19.000 -0.057 0.000 0.819 478 A HN 0.348 nan 8.150 nan 0.000 0.442 479 L N -0.251 120.968 121.223 -0.006 0.000 2.127 479 L HA 0.022 4.362 4.340 -0.000 0.000 0.203 479 L C 2.259 179.105 176.870 -0.039 0.000 1.080 479 L CA 1.449 56.278 54.840 -0.018 0.000 0.768 479 L CB -0.969 41.082 42.059 -0.013 0.000 0.924 479 L HN 0.423 nan 8.230 nan 0.000 0.444 480 L N 0.281 121.477 121.223 -0.045 0.000 1.971 480 L HA -0.175 4.165 4.340 -0.000 0.000 0.215 480 L C 2.718 179.562 176.870 -0.044 0.000 1.072 480 L CA 1.619 56.426 54.840 -0.055 0.000 0.758 480 L CB -1.570 40.449 42.059 -0.066 0.000 0.889 480 L HN 0.360 nan 8.230 nan 0.000 0.433 481 G N 0.346 109.120 108.800 -0.043 0.000 2.503 481 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.221 481 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.221 481 G C 1.596 176.479 174.900 -0.028 0.000 1.131 481 G CA 1.206 46.283 45.100 -0.037 0.000 0.756 481 G HN 0.428 nan 8.290 nan 0.000 0.572 482 K N 0.223 120.607 120.400 -0.027 0.000 1.985 482 K HA 0.028 4.348 4.320 -0.000 0.000 0.210 482 K C 2.392 178.982 176.600 -0.017 0.000 1.047 482 K CA 1.206 57.481 56.287 -0.020 0.000 0.932 482 K CB -0.436 32.052 32.500 -0.020 0.000 0.716 482 K HN 0.291 nan 8.250 nan 0.000 0.439 483 I N 1.533 122.089 120.570 -0.023 0.000 2.087 483 I HA -0.364 3.806 4.170 -0.000 0.000 0.240 483 I C 2.961 179.072 176.117 -0.009 0.000 1.054 483 I CA 1.473 62.762 61.300 -0.018 0.000 1.311 483 I CB -0.376 37.606 38.000 -0.029 0.000 1.024 483 I HN 0.282 nan 8.210 nan 0.000 0.402 484 R N 0.653 121.144 120.500 -0.015 0.000 2.073 484 R HA -0.170 4.170 4.340 -0.000 0.000 0.234 484 R C 2.129 178.428 176.300 -0.002 0.000 1.134 484 R CA 2.487 58.581 56.100 -0.009 0.000 0.952 484 R CB -0.926 29.361 30.300 -0.022 0.000 0.850 484 R HN 0.266 nan 8.270 nan 0.000 0.433 485 T N 1.383 115.932 114.554 -0.008 0.000 2.668 485 T HA -0.093 4.257 4.350 -0.000 0.000 0.262 485 T C 1.207 175.907 174.700 0.001 0.000 1.045 485 T CA 1.725 63.823 62.100 -0.004 0.000 1.152 485 T CB -0.398 68.465 68.868 -0.008 0.000 0.864 485 T HN 0.316 nan 8.240 nan 0.000 0.419 486 D N 0.281 120.680 120.400 -0.001 0.000 2.133 486 D HA -0.005 4.635 4.640 -0.000 0.000 0.195 486 D C 1.722 178.026 176.300 0.007 0.000 0.997 486 D CA 1.619 55.620 54.000 0.003 0.000 0.840 486 D CB -0.579 40.222 40.800 0.002 0.000 0.947 486 D HN 0.557 nan 8.370 nan 0.000 0.452 487 G N -0.032 108.772 108.800 0.008 0.000 2.159 487 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.256 487 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.256 487 G C 0.426 175.335 174.900 0.015 0.000 0.977 487 G CA 0.707 45.814 45.100 0.012 0.000 0.652 487 G HN 0.564 nan 8.290 nan 0.000 0.531 488 K N -0.673 119.735 120.400 0.014 0.000 2.439 488 K HA 0.762 5.082 4.320 -0.000 0.000 0.260 488 K C -0.857 175.754 176.600 0.019 0.000 1.032 488 K CA -1.281 55.017 56.287 0.019 0.000 0.882 488 K CB 1.202 33.712 32.500 0.018 0.000 1.420 488 K HN 0.061 nan 8.250 nan 0.000 0.455 489 I N 3.209 123.797 120.570 0.029 0.000 2.361 489 I HA 0.139 4.309 4.170 -0.000 0.000 0.282 489 I C -0.219 175.916 176.117 0.031 0.000 1.075 489 I CA -0.584 60.734 61.300 0.030 0.000 1.205 489 I CB 1.267 39.301 38.000 0.057 0.000 1.406 489 I HN 0.529 nan 8.210 nan 0.000 0.481 490 S N 3.700 119.410 115.700 0.017 0.000 2.584 490 S HA 0.140 4.610 4.470 -0.000 0.000 0.270 490 S C 1.160 175.774 174.600 0.023 0.000 1.346 490 S CA -0.725 57.486 58.200 0.018 0.000 1.018 490 S CB 1.217 64.424 63.200 0.011 0.000 0.899 490 S HN 0.565 nan 8.310 nan 0.000 0.542 491 E N 0.779 120.995 120.200 0.026 0.000 2.114 491 E HA -0.250 4.100 4.350 -0.000 0.000 0.199 491 E C 1.828 178.444 176.600 0.026 0.000 1.008 491 E CA 1.349 57.768 56.400 0.032 0.000 0.810 491 E CB -0.093 29.625 29.700 0.029 0.000 0.739 491 E HN 0.702 nan 8.360 nan 0.000 0.456 492 E N 0.646 120.856 120.200 0.016 0.000 2.028 492 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 492 E C 2.241 178.839 176.600 -0.002 0.000 0.988 492 E CA 0.788 57.193 56.400 0.010 0.000 0.799 492 E CB -0.050 29.654 29.700 0.006 0.000 0.755 492 E HN 0.023 nan 8.360 nan 0.000 0.447 493 S N 1.006 116.700 115.700 -0.010 0.000 2.374 493 S HA -0.226 4.244 4.470 -0.000 0.000 0.227 493 S C 1.679 176.240 174.600 -0.065 0.000 1.037 493 S CA 1.737 59.916 58.200 -0.036 0.000 1.024 493 S CB -0.388 62.793 63.200 -0.031 0.000 0.861 493 S HN 0.404 nan 8.310 nan 0.000 0.456 494 D N 1.011 121.397 120.400 -0.023 0.000 2.149 494 D HA 0.032 4.672 4.640 -0.000 0.000 0.201 494 D C 1.938 178.243 176.300 0.009 0.000 0.972 494 D CA 1.103 55.100 54.000 -0.004 0.000 0.835 494 D CB -0.288 40.577 40.800 0.109 0.000 0.966 494 D HN 0.304 nan 8.370 nan 0.000 0.476 495 A N 0.584 123.419 122.820 0.024 0.000 1.877 495 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 495 A C 2.172 179.759 177.584 0.004 0.000 1.186 495 A CA 1.698 53.757 52.037 0.036 0.000 0.620 495 A CB -0.713 18.308 19.000 0.035 0.000 0.822 495 A HN 0.241 nan 8.150 nan 0.000 0.443 496 K N -0.892 119.494 120.400 -0.023 0.000 2.026 496 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 496 K C 1.928 178.469 176.600 -0.098 0.000 1.048 496 K CA 1.545 57.809 56.287 -0.038 0.000 0.929 496 K CB -0.305 32.175 32.500 -0.033 0.000 0.713 496 K HN 0.309 nan 8.250 nan 0.000 0.439 497 L N 2.060 123.174 121.223 -0.181 0.000 2.012 497 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 497 L C 2.403 179.093 176.870 -0.301 0.000 1.073 497 L CA 1.854 56.490 54.840 -0.339 0.000 0.748 497 L CB -0.526 41.154 42.059 -0.632 0.000 0.891 497 L HN 0.160 nan 8.230 nan 0.000 0.431 498 K N -0.578 119.729 120.400 -0.155 0.000 2.044 498 K HA -0.289 4.031 4.320 -0.000 0.000 0.210 498 K C 2.144 178.709 176.600 -0.058 0.000 1.049 498 K CA 2.130 58.415 56.287 -0.004 0.000 0.927 498 K CB -0.254 32.370 32.500 0.207 0.000 0.713 498 K HN 0.507 nan 8.250 nan 0.000 0.443 499 E N 0.471 120.666 120.200 -0.008 0.000 2.072 499 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 499 E C 2.114 178.722 176.600 0.014 0.000 0.985 499 E CA 1.167 57.581 56.400 0.025 0.000 0.801 499 E CB -0.092 29.630 29.700 0.037 0.000 0.750 499 E HN 0.381 nan 8.360 nan 0.000 0.452 500 I N 1.040 121.588 120.570 -0.035 0.000 2.194 500 I HA -0.301 3.869 4.170 -0.000 0.000 0.246 500 I C 2.560 178.747 176.117 0.116 0.000 1.093 500 I CA 1.359 62.643 61.300 -0.027 0.000 1.355 500 I CB -0.433 37.450 38.000 -0.196 0.000 1.046 500 I HN 0.169 nan 8.210 nan 0.000 0.413 501 V N -3.107 116.815 119.914 0.015 0.000 2.453 501 V HA -0.167 3.953 4.120 -0.000 0.000 0.247 501 V C 2.298 178.441 176.094 0.081 0.000 1.048 501 V CA 1.940 64.254 62.300 0.023 0.000 1.049 501 V CB -1.307 30.258 31.823 -0.430 0.000 0.672 501 V HN 0.308 nan 8.190 nan 0.000 0.457 502 T N 1.672 116.234 114.554 0.015 0.000 2.607 502 T HA -0.249 4.101 4.350 -0.000 0.000 0.267 502 T C 1.782 176.574 174.700 0.155 0.000 1.049 502 T CA 2.886 65.062 62.100 0.128 0.000 1.162 502 T CB -0.649 68.293 68.868 0.123 0.000 0.863 502 T HN 0.750 nan 8.240 nan 0.000 0.424 503 N N -0.011 118.775 118.700 0.143 0.000 2.084 503 N HA -0.043 4.697 4.740 -0.000 0.000 0.190 503 N C 1.679 177.272 175.510 0.138 0.000 1.030 503 N CA 1.084 54.213 53.050 0.133 0.000 0.849 503 N CB -0.329 38.235 38.487 0.128 0.000 1.012 503 N HN 0.252 nan 8.380 nan 0.000 0.423 504 F N 1.888 121.870 119.950 0.053 0.000 2.091 504 F HA -0.224 4.303 4.527 -0.000 0.000 0.299 504 F C 1.952 177.794 175.800 0.070 0.000 1.103 504 F CA 1.161 59.142 58.000 -0.032 0.000 1.228 504 F CB -0.248 38.717 39.000 -0.058 0.000 0.984 504 F HN -0.012 nan 8.300 nan 0.000 0.477 505 L N 0.681 122.127 121.223 0.371 0.000 1.944 505 L HA -0.253 4.087 4.340 -0.000 0.000 0.218 505 L C 2.835 179.821 176.870 0.194 0.000 1.075 505 L CA 2.246 57.296 54.840 0.350 0.000 0.767 505 L CB -2.094 40.142 42.059 0.296 0.000 0.890 505 L HN 0.286 nan 8.230 nan 0.000 0.434 506 A N -0.739 122.161 122.820 0.133 0.000 2.067 506 A HA -0.230 4.090 4.320 -0.000 0.000 0.224 506 A C 2.145 179.744 177.584 0.026 0.000 1.172 506 A CA 2.069 54.152 52.037 0.078 0.000 0.662 506 A CB -1.108 17.933 19.000 0.068 0.000 0.814 506 A HN 0.575 nan 8.150 nan 0.000 0.468 507 G N -2.921 105.856 108.800 -0.039 0.000 3.020 507 G HA2 0.310 4.270 3.960 -0.000 0.000 0.217 507 G HA3 0.310 4.270 3.960 -0.000 0.000 0.217 507 G C 0.204 175.016 174.900 -0.145 0.000 1.144 507 G CA -0.277 44.752 45.100 -0.119 0.000 0.760 507 G HN 0.315 nan 8.290 nan 0.000 0.548 508 F N 2.416 122.217 119.950 -0.249 0.000 2.557 508 F HA 0.324 4.851 4.527 -0.000 0.000 0.384 508 F C 0.672 176.433 175.800 -0.065 0.000 1.057 508 F CA -1.320 56.568 58.000 -0.186 0.000 1.169 508 F CB 0.727 39.737 39.000 0.016 0.000 1.070 508 F HN 0.076 nan 8.300 nan 0.000 0.554 509 E N 5.453 125.233 120.200 -0.701 0.000 2.290 509 E HA 0.460 4.810 4.350 -0.000 0.000 0.277 509 E C -0.147 176.118 176.600 -0.558 0.000 1.035 509 E CA -0.382 55.719 56.400 -0.497 0.000 0.873 509 E CB 0.864 30.333 29.700 -0.385 0.000 1.029 509 E HN 0.734 nan 8.360 nan 0.000 0.419 510 A N 0.000 122.694 122.820 -0.210 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 51.993 52.037 -0.073 0.000 0.836 510 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486