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 1cow_1_A DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAAF AQFGSDLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLGKI RTDGKISEES DAKLKEIVTN FLAGFEA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.298 176.300 -0.003 0.000 2.045 24 D CA 0.000 54.002 54.000 0.004 0.000 0.868 24 D CB 0.000 40.806 40.800 0.011 0.000 0.688 25 L N 0.011 121.234 121.223 0.001 0.000 2.705 25 L HA -0.421 3.919 4.340 -0.000 0.000 0.211 25 L C 1.936 178.787 176.870 -0.032 0.000 1.203 25 L CA 2.217 57.047 54.840 -0.015 0.000 0.807 25 L CB -0.906 41.145 42.059 -0.014 0.000 1.009 25 L HN 0.699 nan 8.230 nan 0.000 0.422 26 E N -0.864 119.320 120.200 -0.026 0.000 2.153 26 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 26 E C 1.616 178.196 176.600 -0.033 0.000 0.988 26 E CA 1.343 57.724 56.400 -0.030 0.000 0.811 26 E CB 0.178 29.864 29.700 -0.022 0.000 0.746 26 E HN 0.526 nan 8.360 nan 0.000 0.466 27 E N -0.745 119.437 120.200 -0.031 0.000 2.562 27 E HA 0.128 4.478 4.350 -0.000 0.000 0.214 27 E C -0.218 176.357 176.600 -0.042 0.000 0.979 27 E CA 0.156 56.535 56.400 -0.035 0.000 1.002 27 E CB 1.672 31.354 29.700 -0.029 0.000 1.048 27 E HN -0.025 nan 8.360 nan 0.000 0.488 28 T N -0.324 114.208 114.554 -0.036 0.000 2.883 28 T HA 0.671 5.021 4.350 -0.000 0.000 0.296 28 T C -0.326 174.357 174.700 -0.027 0.000 1.117 28 T CA -0.610 61.468 62.100 -0.036 0.000 1.006 28 T CB 2.318 71.173 68.868 -0.021 0.000 1.191 28 T HN 0.125 nan 8.240 nan 0.000 0.508 29 G N 0.586 109.371 108.800 -0.024 0.000 2.695 29 G HA2 0.726 4.686 3.960 -0.000 0.000 0.290 29 G HA3 0.726 4.686 3.960 -0.000 0.000 0.290 29 G C -1.755 173.170 174.900 0.042 0.000 1.410 29 G CA -0.803 44.303 45.100 0.009 0.000 0.844 29 G HN 0.594 nan 8.290 nan 0.000 0.478 30 R N -0.339 120.218 120.500 0.095 0.000 2.599 30 R HA 0.532 4.872 4.340 -0.000 0.000 0.295 30 R C -0.636 175.734 176.300 0.117 0.000 0.963 30 R CA -0.737 55.420 56.100 0.095 0.000 0.883 30 R CB 2.568 32.917 30.300 0.082 0.000 1.171 30 R HN 0.350 nan 8.270 nan 0.000 0.450 31 V N 4.987 124.974 119.914 0.122 0.000 2.521 31 V HA 0.018 4.138 4.120 -0.000 0.000 0.286 31 V C 1.355 177.502 176.094 0.088 0.000 1.034 31 V CA 0.184 62.566 62.300 0.135 0.000 1.045 31 V CB 0.727 32.645 31.823 0.159 0.000 0.974 31 V HN 0.741 nan 8.190 nan 0.000 0.480 32 L N 3.445 124.719 121.223 0.086 0.000 2.253 32 L HA 0.181 4.520 4.340 -0.000 0.000 0.205 32 L C 0.912 177.805 176.870 0.038 0.000 1.078 32 L CA 0.839 55.709 54.840 0.050 0.000 0.805 32 L CB 0.148 42.243 42.059 0.059 0.000 0.963 32 L HN 0.877 nan 8.230 nan 0.000 0.459 33 S N -1.193 114.536 115.700 0.048 0.000 2.552 33 S HA 0.600 5.070 4.470 -0.000 0.000 0.272 33 S C -1.295 173.324 174.600 0.033 0.000 1.150 33 S CA -0.742 57.477 58.200 0.031 0.000 0.849 33 S CB 2.578 65.793 63.200 0.025 0.000 1.113 33 S HN -0.066 nan 8.310 nan 0.000 0.458 34 I N 1.096 121.673 120.570 0.011 0.000 2.656 34 I HA 0.877 5.047 4.170 -0.000 0.000 0.292 34 I C -0.176 175.931 176.117 -0.017 0.000 1.144 34 I CA 0.229 61.525 61.300 -0.007 0.000 1.038 34 I CB 1.360 39.341 38.000 -0.031 0.000 1.244 34 I HN 1.344 nan 8.210 nan 0.000 0.420 35 G N 4.954 113.742 108.800 -0.020 0.000 2.411 35 G HA2 0.340 4.300 3.960 -0.000 0.000 0.295 35 G HA3 0.340 4.300 3.960 -0.000 0.000 0.295 35 G C -1.013 173.874 174.900 -0.021 0.000 1.542 35 G CA -0.586 44.502 45.100 -0.021 0.000 0.814 35 G HN 0.559 nan 8.290 nan 0.000 0.557 36 D N -0.583 119.803 120.400 -0.023 0.000 2.733 36 D HA -0.200 4.440 4.640 -0.000 0.000 0.232 36 D C 1.693 177.978 176.300 -0.024 0.000 1.161 36 D CA 2.878 56.864 54.000 -0.024 0.000 0.653 36 D CB -1.093 39.693 40.800 -0.023 0.000 1.052 36 D HN 2.240 nan 8.370 nan 0.000 0.424 37 G N -1.296 107.488 108.800 -0.027 0.000 2.184 37 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.264 37 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.264 37 G C 0.227 175.126 174.900 -0.003 0.000 0.975 37 G CA 0.326 45.413 45.100 -0.022 0.000 0.642 37 G HN 0.455 nan 8.290 nan 0.000 0.536 38 I N 1.563 122.131 120.570 -0.002 0.000 2.336 38 I HA 0.700 4.870 4.170 -0.000 0.000 0.292 38 I C 0.543 176.681 176.117 0.035 0.000 0.991 38 I CA -0.305 61.009 61.300 0.024 0.000 1.227 38 I CB 1.655 39.662 38.000 0.012 0.000 1.366 38 I HN 0.407 nan 8.210 nan 0.000 0.466 39 A N 7.116 129.990 122.820 0.090 0.000 2.317 39 A HA 0.788 5.108 4.320 -0.000 0.000 0.327 39 A C -0.265 177.403 177.584 0.140 0.000 1.178 39 A CA -0.718 51.395 52.037 0.128 0.000 0.817 39 A CB 0.784 19.947 19.000 0.270 0.000 1.189 39 A HN 0.534 nan 8.150 nan 0.000 0.489 40 R N 2.251 122.820 120.500 0.116 0.000 2.310 40 R HA 0.406 4.746 4.340 -0.000 0.000 0.316 40 R C -1.150 175.219 176.300 0.116 0.000 1.004 40 R CA -0.274 55.885 56.100 0.099 0.000 0.900 40 R CB 1.141 31.482 30.300 0.068 0.000 1.152 40 R HN 0.521 nan 8.270 nan 0.000 0.513 41 V N 2.842 122.823 119.914 0.113 0.000 2.481 41 V HA 0.197 4.317 4.120 -0.000 0.000 0.286 41 V C 0.190 176.345 176.094 0.101 0.000 1.042 41 V CA -0.831 61.533 62.300 0.107 0.000 0.928 41 V CB 1.363 33.224 31.823 0.062 0.000 0.986 41 V HN 0.613 nan 8.190 nan 0.000 0.462 42 H N 2.430 121.513 119.070 0.022 0.000 2.467 42 H HA 0.677 5.232 4.556 -0.000 0.000 0.326 42 H C 0.406 175.735 175.328 0.003 0.000 1.094 42 H CA 1.134 57.189 56.048 0.013 0.000 1.253 42 H CB 1.055 30.826 29.762 0.015 0.000 1.439 42 H HN 1.085 nan 8.280 nan 0.000 0.479 43 G N 2.969 111.555 108.800 -0.357 0.000 2.464 43 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 43 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 43 G C -0.133 174.694 174.900 -0.122 0.000 1.186 43 G CA -0.448 44.529 45.100 -0.204 0.000 1.010 43 G HN 1.154 nan 8.290 nan 0.000 0.585 44 L N -0.386 120.792 121.223 -0.076 0.000 3.839 44 L HA -0.213 4.127 4.340 -0.000 0.000 0.416 44 L C 2.298 179.128 176.870 -0.066 0.000 1.195 44 L CA 0.814 55.614 54.840 -0.068 0.000 0.946 44 L CB -0.803 41.214 42.059 -0.070 0.000 1.891 44 L HN 0.651 nan 8.230 nan 0.000 0.963 45 R N 0.552 121.009 120.500 -0.070 0.000 2.170 45 R HA -0.119 4.221 4.340 -0.000 0.000 0.242 45 R C 1.427 177.700 176.300 -0.045 0.000 1.145 45 R CA 1.511 57.574 56.100 -0.062 0.000 0.984 45 R CB -0.280 29.983 30.300 -0.062 0.000 0.869 45 R HN 0.588 nan 8.270 nan 0.000 0.455 46 N N 0.258 118.933 118.700 -0.041 0.000 2.336 46 N HA -0.020 4.720 4.740 -0.000 0.000 0.189 46 N C 0.170 175.660 175.510 -0.032 0.000 1.113 46 N CA 0.154 53.184 53.050 -0.033 0.000 0.858 46 N CB 0.259 38.728 38.487 -0.030 0.000 0.970 46 N HN 0.015 nan 8.380 nan 0.000 0.471 47 V N 0.282 120.174 119.914 -0.037 0.000 2.872 47 V HA 0.026 4.146 4.120 -0.000 0.000 0.307 47 V C 0.411 176.492 176.094 -0.022 0.000 1.072 47 V CA -0.534 61.746 62.300 -0.034 0.000 1.148 47 V CB 0.125 31.924 31.823 -0.040 0.000 0.954 47 V HN 0.116 nan 8.190 nan 0.000 0.490 48 Q N 3.006 122.795 119.800 -0.018 0.000 2.212 48 Q HA 0.732 5.071 4.340 -0.000 0.000 0.238 48 Q C 0.170 176.170 176.000 -0.000 0.000 0.955 48 Q CA -0.515 55.283 55.803 -0.008 0.000 0.906 48 Q CB 1.111 29.844 28.738 -0.008 0.000 1.215 48 Q HN 1.115 nan 8.270 nan 0.000 0.478 49 A N 1.268 124.093 122.820 0.010 0.000 2.540 49 A HA 0.042 4.362 4.320 -0.000 0.000 0.239 49 A C 0.142 177.743 177.584 0.028 0.000 1.061 49 A CA 0.309 52.360 52.037 0.023 0.000 0.758 49 A CB -0.396 18.622 19.000 0.031 0.000 0.991 49 A HN 0.946 nan 8.150 nan 0.000 0.502 50 E N -0.924 119.303 120.200 0.045 0.000 3.496 50 E HA -0.200 4.150 4.350 -0.000 0.000 0.300 50 E C 0.208 176.828 176.600 0.034 0.000 0.877 50 E CA 1.515 57.950 56.400 0.059 0.000 1.050 50 E CB -1.373 28.359 29.700 0.052 0.000 1.532 50 E HN 0.888 nan 8.360 nan 0.000 0.447 51 E N 0.230 120.435 120.200 0.008 0.000 2.354 51 E HA 0.101 4.451 4.350 -0.000 0.000 0.269 51 E C -0.019 176.555 176.600 -0.044 0.000 1.036 51 E CA -0.342 56.047 56.400 -0.020 0.000 0.876 51 E CB 0.532 30.213 29.700 -0.031 0.000 1.009 51 E HN 0.021 nan 8.360 nan 0.000 0.416 52 M N 3.707 123.263 119.600 -0.073 0.000 2.188 52 M HA 0.172 4.652 4.480 -0.000 0.000 0.354 52 M C -0.564 175.649 176.300 -0.145 0.000 1.342 52 M CA -0.088 55.131 55.300 -0.135 0.000 1.117 52 M CB 0.833 33.342 32.600 -0.151 0.000 1.670 52 M HN 0.321 nan 8.290 nan 0.000 0.466 53 V N 2.814 122.617 119.914 -0.186 0.000 3.126 53 V HA 0.496 4.616 4.120 -0.000 0.000 0.314 53 V C -0.479 175.452 176.094 -0.273 0.000 1.138 53 V CA -0.836 61.330 62.300 -0.224 0.000 1.034 53 V CB 2.657 34.330 31.823 -0.249 0.000 1.075 53 V HN 0.799 nan 8.190 nan 0.000 0.442 54 E N 0.939 120.963 120.200 -0.293 0.000 2.246 54 E HA 0.486 4.836 4.350 -0.000 0.000 0.266 54 E C -1.687 174.759 176.600 -0.256 0.000 0.880 54 E CA -0.486 55.787 56.400 -0.211 0.000 0.762 54 E CB 1.444 31.089 29.700 -0.092 0.000 1.180 54 E HN 0.437 nan 8.360 nan 0.000 0.416 55 F N 1.630 121.575 119.950 -0.008 0.000 2.380 55 F HA 0.113 4.640 4.527 -0.000 0.000 0.325 55 F C 1.965 177.767 175.800 0.004 0.000 1.136 55 F CA -0.161 57.842 58.000 0.005 0.000 1.171 55 F CB 1.056 40.065 39.000 0.015 0.000 1.230 55 F HN 0.524 nan 8.300 nan 0.000 0.554 56 S N 0.539 116.352 115.700 0.188 0.000 2.427 56 S HA -0.325 4.144 4.470 -0.000 0.000 0.231 56 S C 2.237 176.897 174.600 0.099 0.000 1.045 56 S CA 1.990 60.255 58.200 0.107 0.000 1.154 56 S CB -1.186 62.068 63.200 0.090 0.000 1.093 56 S HN 0.811 nan 8.310 nan 0.000 0.422 57 S N 1.376 117.139 115.700 0.104 0.000 2.453 57 S HA -0.108 4.362 4.470 -0.000 0.000 0.250 57 S C 1.734 176.379 174.600 0.075 0.000 1.044 57 S CA 1.784 60.029 58.200 0.075 0.000 1.010 57 S CB -1.174 62.061 63.200 0.058 0.000 0.793 57 S HN 1.534 nan 8.310 nan 0.000 0.493 58 G N -0.529 108.333 108.800 0.104 0.000 2.231 58 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.206 58 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.206 58 G C -0.170 174.797 174.900 0.111 0.000 0.996 58 G CA -0.120 45.031 45.100 0.085 0.000 0.645 58 G HN 0.490 nan 8.290 nan 0.000 0.498 59 L N 1.702 123.019 121.223 0.158 0.000 2.456 59 L HA 0.490 4.830 4.340 -0.000 0.000 0.272 59 L C 1.014 178.048 176.870 0.272 0.000 1.189 59 L CA 0.538 55.491 54.840 0.188 0.000 0.846 59 L CB 0.585 42.727 42.059 0.139 0.000 1.111 59 L HN 0.257 nan 8.230 nan 0.000 0.475 60 K N 0.822 121.318 120.400 0.160 0.000 2.127 60 K HA 0.808 5.128 4.320 -0.000 0.000 0.240 60 K C 0.013 176.694 176.600 0.135 0.000 1.024 60 K CA -0.441 55.854 56.287 0.014 0.000 0.918 60 K CB 0.914 33.264 32.500 -0.251 0.000 1.108 60 K HN 0.743 nan 8.250 nan 0.000 0.485 61 G N 0.035 108.805 108.800 -0.050 0.000 2.673 61 G HA2 0.487 4.447 3.960 -0.000 0.000 0.292 61 G HA3 0.487 4.447 3.960 -0.000 0.000 0.292 61 G C -1.892 172.973 174.900 -0.057 0.000 1.450 61 G CA -0.840 44.362 45.100 0.171 0.000 0.837 61 G HN 0.499 nan 8.290 nan 0.000 0.505 62 M N 1.127 120.806 119.600 0.133 0.000 2.321 62 M HA 0.612 5.092 4.480 -0.000 0.000 0.315 62 M C -0.627 175.750 176.300 0.128 0.000 1.052 62 M CA -0.542 54.822 55.300 0.108 0.000 0.936 62 M CB 1.907 34.668 32.600 0.270 0.000 1.639 62 M HN 0.320 nan 8.290 nan 0.000 0.433 63 S N 5.999 121.737 115.700 0.062 0.000 2.423 63 S HA 0.264 4.734 4.470 -0.000 0.000 0.302 63 S C 0.830 175.471 174.600 0.069 0.000 1.143 63 S CA -0.502 57.731 58.200 0.054 0.000 1.080 63 S CB -0.101 63.108 63.200 0.015 0.000 1.081 63 S HN 0.755 nan 8.310 nan 0.000 0.522 64 L N 1.987 123.258 121.223 0.079 0.000 2.513 64 L HA 0.234 4.574 4.340 -0.000 0.000 0.222 64 L C 0.051 176.952 176.870 0.052 0.000 1.096 64 L CA 0.405 55.289 54.840 0.074 0.000 0.857 64 L CB 0.003 42.102 42.059 0.067 0.000 1.026 64 L HN 0.405 nan 8.230 nan 0.000 0.469 65 N N 0.494 119.219 118.700 0.042 0.000 2.504 65 N HA 0.388 5.128 4.740 -0.000 0.000 0.280 65 N C -1.131 174.394 175.510 0.024 0.000 1.052 65 N CA -0.131 52.938 53.050 0.030 0.000 0.887 65 N CB 1.653 40.154 38.487 0.023 0.000 1.323 65 N HN -0.050 nan 8.380 nan 0.000 0.509 66 L N 1.885 123.120 121.223 0.020 0.000 2.283 66 L HA 0.449 4.789 4.340 -0.000 0.000 0.281 66 L C 0.336 177.210 176.870 0.007 0.000 1.033 66 L CA -0.369 54.477 54.840 0.009 0.000 0.848 66 L CB 0.855 42.918 42.059 0.006 0.000 1.226 66 L HN 0.371 nan 8.230 nan 0.000 0.429 67 E N 3.497 123.700 120.200 0.004 0.000 2.232 67 E HA 0.305 4.655 4.350 -0.000 0.000 0.265 67 E C -1.565 175.031 176.600 -0.005 0.000 1.001 67 E CA -1.774 54.628 56.400 0.003 0.000 0.870 67 E CB 1.846 31.551 29.700 0.010 0.000 1.175 67 E HN 0.274 nan 8.360 nan 0.000 0.407 68 P HA -0.206 nan 4.420 nan 0.000 0.214 68 P C 0.514 177.805 177.300 -0.014 0.000 1.169 68 P CA 1.500 64.596 63.100 -0.007 0.000 0.908 68 P CB 0.092 31.792 31.700 0.000 0.000 0.791 69 D N -1.685 118.714 120.400 -0.001 0.000 2.340 69 D HA 0.039 4.679 4.640 -0.000 0.000 0.217 69 D C 0.102 176.406 176.300 0.006 0.000 1.081 69 D CA -0.100 53.903 54.000 0.006 0.000 0.842 69 D CB -0.653 40.170 40.800 0.039 0.000 0.934 69 D HN 0.370 nan 8.370 nan 0.000 0.511 70 N N -1.793 116.903 118.700 -0.006 0.000 3.501 70 N HA 0.247 4.987 4.740 -0.000 0.000 0.235 70 N C -2.058 173.454 175.510 0.003 0.000 1.442 70 N CA -0.954 52.099 53.050 0.005 0.000 0.872 70 N CB 1.171 39.687 38.487 0.047 0.000 1.414 70 N HN -0.206 nan 8.380 nan 0.000 0.485 71 V N -0.255 119.668 119.914 0.014 0.000 2.407 71 V HA 0.790 4.910 4.120 -0.000 0.000 0.291 71 V C 0.516 176.637 176.094 0.045 0.000 1.018 71 V CA -0.535 61.775 62.300 0.018 0.000 0.842 71 V CB 1.168 32.991 31.823 -0.001 0.000 0.996 71 V HN 0.911 nan 8.190 nan 0.000 0.426 72 G N 3.945 112.772 108.800 0.045 0.000 2.391 72 G HA2 0.506 4.466 3.960 -0.000 0.000 0.305 72 G HA3 0.506 4.466 3.960 -0.000 0.000 0.305 72 G C -0.520 174.429 174.900 0.081 0.000 1.072 72 G CA -0.191 44.945 45.100 0.060 0.000 1.016 72 G HN 0.526 nan 8.290 nan 0.000 0.418 73 V N 3.240 123.231 119.914 0.129 0.000 2.472 73 V HA 0.207 4.327 4.120 -0.000 0.000 0.290 73 V C 0.310 176.531 176.094 0.211 0.000 1.037 73 V CA -0.710 61.700 62.300 0.183 0.000 0.908 73 V CB 1.907 33.881 31.823 0.253 0.000 0.985 73 V HN 0.423 nan 8.190 nan 0.000 0.454 74 V N 6.022 126.069 119.914 0.223 0.000 2.356 74 V HA 0.145 4.265 4.120 -0.000 0.000 0.258 74 V C 0.225 176.532 176.094 0.357 0.000 1.065 74 V CA -0.214 62.220 62.300 0.224 0.000 0.935 74 V CB 1.330 33.277 31.823 0.207 0.000 1.061 74 V HN 0.647 nan 8.190 nan 0.000 0.484 75 V N 6.668 126.731 119.914 0.248 0.000 2.479 75 V HA 0.129 4.249 4.120 -0.000 0.000 0.281 75 V C 0.386 176.676 176.094 0.326 0.000 1.031 75 V CA -0.005 62.447 62.300 0.254 0.000 1.038 75 V CB 0.340 32.154 31.823 -0.015 0.000 0.981 75 V HN 0.663 nan 8.190 nan 0.000 0.478 76 F N 4.988 125.000 119.950 0.104 0.000 2.669 76 F HA 0.593 5.120 4.527 -0.000 0.000 0.353 76 F C 1.063 176.894 175.800 0.052 0.000 1.192 76 F CA 0.337 58.390 58.000 0.089 0.000 1.317 76 F CB -0.108 38.958 39.000 0.110 0.000 1.652 76 F HN 0.741 nan 8.300 nan 0.000 0.608 77 G N 0.510 109.390 108.800 0.133 0.000 2.351 77 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.279 77 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.279 77 G C -1.530 173.379 174.900 0.015 0.000 1.297 77 G CA -1.198 43.944 45.100 0.071 0.000 0.886 77 G HN 0.105 nan 8.290 nan 0.000 0.493 78 N N 0.511 119.212 118.700 0.001 0.000 2.497 78 N HA 0.289 5.028 4.740 -0.000 0.000 0.271 78 N C 0.591 176.069 175.510 -0.053 0.000 1.142 78 N CA -0.003 53.034 53.050 -0.021 0.000 0.965 78 N CB 1.241 39.722 38.487 -0.010 0.000 1.077 78 N HN 0.377 nan 8.380 nan 0.000 0.462 79 D N 1.943 122.304 120.400 -0.064 0.000 2.378 79 D HA -0.138 4.502 4.640 -0.000 0.000 0.222 79 D C 1.485 177.737 176.300 -0.079 0.000 0.980 79 D CA 0.644 54.586 54.000 -0.097 0.000 0.907 79 D CB 0.126 40.879 40.800 -0.079 0.000 0.899 79 D HN 0.674 nan 8.370 nan 0.000 0.527 80 K N 1.248 121.617 120.400 -0.052 0.000 2.147 80 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 80 K C 1.265 177.842 176.600 -0.039 0.000 1.049 80 K CA 0.795 57.060 56.287 -0.037 0.000 0.936 80 K CB -0.139 32.348 32.500 -0.022 0.000 0.722 80 K HN 0.236 nan 8.250 nan 0.000 0.446 81 L N 1.514 122.707 121.223 -0.050 0.000 2.645 81 L HA 0.243 4.583 4.340 -0.000 0.000 0.235 81 L C 0.338 177.173 176.870 -0.059 0.000 1.150 81 L CA 0.021 54.837 54.840 -0.041 0.000 0.911 81 L CB -0.155 41.890 42.059 -0.024 0.000 1.077 81 L HN 0.112 nan 8.230 nan 0.000 0.438 82 I N -0.320 120.194 120.570 -0.093 0.000 2.533 82 I HA 0.346 4.516 4.170 -0.000 0.000 0.290 82 I C -0.363 175.721 176.117 -0.054 0.000 1.056 82 I CA -0.500 60.735 61.300 -0.108 0.000 1.057 82 I CB 2.231 40.054 38.000 -0.294 0.000 1.240 82 I HN -0.031 nan 8.210 nan 0.000 0.423 83 K N 3.507 123.902 120.400 -0.009 0.000 2.433 83 K HA 0.385 4.705 4.320 -0.000 0.000 0.252 83 K C -0.795 175.819 176.600 0.025 0.000 1.015 83 K CA -0.978 55.311 56.287 0.003 0.000 0.860 83 K CB 2.367 34.871 32.500 0.007 0.000 1.359 83 K HN 0.552 nan 8.250 nan 0.000 0.452 84 E N 0.087 120.298 120.200 0.019 0.000 2.452 84 E HA -0.011 4.339 4.350 -0.000 0.000 0.261 84 E C 0.545 177.165 176.600 0.032 0.000 0.987 84 E CA 1.393 57.809 56.400 0.027 0.000 0.926 84 E CB 0.218 29.927 29.700 0.014 0.000 0.934 84 E HN 0.743 nan 8.360 nan 0.000 0.452 85 G N 4.122 112.947 108.800 0.043 0.000 2.299 85 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.237 85 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.237 85 G C -0.093 174.844 174.900 0.061 0.000 1.027 85 G CA 0.158 45.282 45.100 0.041 0.000 0.619 85 G HN 0.687 nan 8.290 nan 0.000 0.513 86 D N 0.923 121.371 120.400 0.082 0.000 2.629 86 D HA 0.264 4.904 4.640 -0.000 0.000 0.228 86 D C 0.825 177.196 176.300 0.118 0.000 1.127 86 D CA 0.414 54.480 54.000 0.110 0.000 0.855 86 D CB 0.406 41.297 40.800 0.152 0.000 1.180 86 D HN 0.351 nan 8.370 nan 0.000 0.484 87 I N 2.394 123.016 120.570 0.086 0.000 2.416 87 I HA 0.058 4.228 4.170 -0.000 0.000 0.288 87 I C 0.010 176.142 176.117 0.026 0.000 1.051 87 I CA -0.262 61.069 61.300 0.052 0.000 1.375 87 I CB 1.053 39.071 38.000 0.031 0.000 1.407 87 I HN 0.022 nan 8.210 nan 0.000 0.516 88 V N 6.769 126.663 119.914 -0.034 0.000 2.483 88 V HA 0.513 4.633 4.120 -0.000 0.000 0.295 88 V C -0.093 175.914 176.094 -0.146 0.000 1.035 88 V CA -0.945 61.248 62.300 -0.178 0.000 0.896 88 V CB 1.341 32.984 31.823 -0.300 0.000 0.986 88 V HN 0.635 nan 8.190 nan 0.000 0.447 89 K N 3.493 123.793 120.400 -0.166 0.000 2.328 89 K HA 0.700 5.020 4.320 -0.000 0.000 0.246 89 K C -0.704 175.816 176.600 -0.133 0.000 0.955 89 K CA -0.964 55.254 56.287 -0.115 0.000 0.817 89 K CB 2.356 34.810 32.500 -0.077 0.000 1.208 89 K HN 0.508 nan 8.250 nan 0.000 0.432 90 R N 0.252 120.694 120.500 -0.098 0.000 2.531 90 R HA 0.114 4.454 4.340 -0.000 0.000 0.273 90 R C 0.987 177.239 176.300 -0.080 0.000 1.070 90 R CA -0.111 55.934 56.100 -0.093 0.000 1.112 90 R CB 0.716 30.975 30.300 -0.069 0.000 1.049 90 R HN 0.896 nan 8.270 nan 0.000 0.508 91 T N -2.273 112.233 114.554 -0.080 0.000 3.015 91 T HA 0.146 4.495 4.350 -0.000 0.000 0.250 91 T C 1.433 176.103 174.700 -0.050 0.000 1.057 91 T CA 0.526 62.587 62.100 -0.065 0.000 1.066 91 T CB 0.349 69.173 68.868 -0.073 0.000 0.959 91 T HN 0.818 nan 8.240 nan 0.000 0.488 92 G N 1.635 110.404 108.800 -0.050 0.000 2.267 92 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.257 92 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.257 92 G C 0.368 175.247 174.900 -0.035 0.000 0.998 92 G CA 0.066 45.143 45.100 -0.039 0.000 0.620 92 G HN 1.307 nan 8.290 nan 0.000 0.529 93 A N 0.617 123.412 122.820 -0.040 0.000 2.327 93 A HA 0.754 5.074 4.320 -0.000 0.000 0.283 93 A C 0.461 178.021 177.584 -0.039 0.000 1.127 93 A CA 0.049 52.064 52.037 -0.037 0.000 0.810 93 A CB 0.672 19.649 19.000 -0.039 0.000 1.066 93 A HN 1.407 nan 8.150 nan 0.000 0.492 94 I N 2.071 122.623 120.570 -0.029 0.000 2.793 94 I HA 0.514 4.684 4.170 -0.000 0.000 0.313 94 I C -0.413 175.691 176.117 -0.021 0.000 0.998 94 I CA -0.739 60.546 61.300 -0.024 0.000 1.140 94 I CB 1.833 39.823 38.000 -0.017 0.000 1.327 94 I HN 0.369 nan 8.210 nan 0.000 0.491 95 V N 5.536 125.443 119.914 -0.012 0.000 2.458 95 V HA 0.088 4.208 4.120 -0.000 0.000 0.287 95 V C -0.093 176.004 176.094 0.005 0.000 1.009 95 V CA 0.005 62.307 62.300 0.003 0.000 1.091 95 V CB -0.632 31.212 31.823 0.036 0.000 0.960 95 V HN 0.787 nan 8.190 nan 0.000 0.476 96 D N 4.395 124.799 120.400 0.007 0.000 2.547 96 D HA 0.693 5.333 4.640 -0.000 0.000 0.231 96 D C -0.569 175.739 176.300 0.014 0.000 1.099 96 D CA -0.587 53.417 54.000 0.008 0.000 0.901 96 D CB 2.435 43.235 40.800 -0.000 0.000 1.478 96 D HN 0.483 nan 8.370 nan 0.000 0.471 97 V N -4.133 115.789 119.914 0.013 0.000 3.102 97 V HA 0.725 4.845 4.120 -0.000 0.000 0.312 97 V C -2.878 173.212 176.094 -0.008 0.000 1.135 97 V CA -2.265 60.043 62.300 0.013 0.000 1.022 97 V CB 1.787 33.627 31.823 0.028 0.000 1.056 97 V HN 0.504 nan 8.190 nan 0.000 0.436 98 P HA 0.340 nan 4.420 nan 0.000 0.271 98 P C -0.629 176.623 177.300 -0.080 0.000 1.238 98 P CA 0.143 63.214 63.100 -0.048 0.000 0.794 98 P CB 0.987 32.661 31.700 -0.044 0.000 0.959 99 V N -1.191 118.627 119.914 -0.159 0.000 3.278 99 V HA 0.661 4.781 4.120 -0.000 0.000 0.288 99 V C -0.270 175.464 176.094 -0.601 0.000 1.514 99 V CA 0.488 62.619 62.300 -0.282 0.000 1.051 99 V CB 1.611 33.325 31.823 -0.180 0.000 1.163 99 V HN 1.105 nan 8.190 nan 0.000 0.458 100 G N 2.595 110.730 108.800 -1.109 0.000 2.603 100 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.686 100 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.686 100 G C 0.173 174.612 174.900 -0.769 0.000 1.286 100 G CA 0.126 44.180 45.100 -1.742 0.000 0.871 100 G HN 0.927 nan 8.290 nan 0.000 0.568 101 E N 0.487 120.359 120.200 -0.545 0.000 2.233 101 E HA -0.222 4.127 4.350 -0.000 0.000 0.199 101 E C 2.132 178.695 176.600 -0.062 0.000 1.004 101 E CA 1.691 58.016 56.400 -0.126 0.000 0.819 101 E CB -0.092 29.589 29.700 -0.031 0.000 0.738 101 E HN 0.771 nan 8.360 nan 0.000 0.478 102 E N 1.224 121.355 120.200 -0.115 0.000 2.268 102 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 102 E C 2.196 178.778 176.600 -0.030 0.000 0.995 102 E CA 0.512 56.879 56.400 -0.055 0.000 0.836 102 E CB -0.363 29.300 29.700 -0.061 0.000 0.763 102 E HN 0.353 nan 8.360 nan 0.000 0.491 103 L N 1.019 122.216 121.223 -0.043 0.000 2.362 103 L HA 0.003 4.343 4.340 -0.000 0.000 0.219 103 L C 1.362 178.259 176.870 0.045 0.000 1.134 103 L CA 0.349 55.189 54.840 -0.000 0.000 0.807 103 L CB -0.768 41.291 42.059 -0.001 0.000 0.927 103 L HN 0.076 nan 8.230 nan 0.000 0.447 104 L N 0.516 121.785 121.223 0.077 0.000 2.573 104 L HA -0.009 4.331 4.340 -0.000 0.000 0.290 104 L C 1.457 178.361 176.870 0.057 0.000 1.247 104 L CA 0.757 55.657 54.840 0.101 0.000 0.876 104 L CB -0.358 41.791 42.059 0.150 0.000 1.123 104 L HN 0.377 nan 8.230 nan 0.000 0.505 105 G N 1.445 110.266 108.800 0.035 0.000 2.225 105 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.267 105 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.267 105 G C 0.222 175.124 174.900 0.003 0.000 1.024 105 G CA -0.053 45.048 45.100 0.001 0.000 0.784 105 G HN 0.482 nan 8.290 nan 0.000 0.507 106 R N -1.305 119.204 120.500 0.014 0.000 2.873 106 R HA 0.747 5.087 4.340 -0.000 0.000 0.264 106 R C -0.406 175.905 176.300 0.017 0.000 1.026 106 R CA -0.978 55.130 56.100 0.013 0.000 1.002 106 R CB 1.821 32.131 30.300 0.016 0.000 1.174 106 R HN 0.257 nan 8.270 nan 0.000 0.488 107 V N 2.103 122.027 119.914 0.017 0.000 2.349 107 V HA 0.360 4.480 4.120 -0.000 0.000 0.284 107 V C -0.117 175.993 176.094 0.028 0.000 1.014 107 V CA -0.831 61.484 62.300 0.024 0.000 0.826 107 V CB 1.463 33.296 31.823 0.017 0.000 1.009 107 V HN 0.555 nan 8.190 nan 0.000 0.431 108 V N 1.072 121.007 119.914 0.036 0.000 2.815 108 V HA 0.793 4.913 4.120 -0.000 0.000 0.314 108 V C -0.042 176.077 176.094 0.043 0.000 1.064 108 V CA -0.800 61.521 62.300 0.036 0.000 0.952 108 V CB 1.973 33.817 31.823 0.034 0.000 1.020 108 V HN 0.759 nan 8.190 nan 0.000 0.439 109 D N 3.122 123.548 120.400 0.044 0.000 2.376 109 D HA 0.372 5.012 4.640 -0.000 0.000 0.268 109 D C 1.259 177.591 176.300 0.052 0.000 1.252 109 D CA 0.152 54.181 54.000 0.048 0.000 1.041 109 D CB 0.724 41.555 40.800 0.052 0.000 1.109 109 D HN 0.763 nan 8.370 nan 0.000 0.552 110 A N -0.969 121.883 122.820 0.055 0.000 2.067 110 A HA 0.015 4.335 4.320 -0.000 0.000 0.219 110 A C 2.180 179.812 177.584 0.080 0.000 1.158 110 A CA 0.669 52.741 52.037 0.057 0.000 0.661 110 A CB -0.714 18.312 19.000 0.042 0.000 0.801 110 A HN 0.504 nan 8.150 nan 0.000 0.452 111 L N -1.448 119.830 121.223 0.092 0.000 2.628 111 L HA 0.244 4.584 4.340 -0.000 0.000 0.229 111 L C 1.571 178.479 176.870 0.063 0.000 1.137 111 L CA 0.489 55.389 54.840 0.099 0.000 0.909 111 L CB -0.058 42.080 42.059 0.132 0.000 1.137 111 L HN 0.539 nan 8.230 nan 0.000 0.470 112 G N -0.156 108.675 108.800 0.052 0.000 2.157 112 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.248 112 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.248 112 G C 0.188 175.105 174.900 0.029 0.000 0.979 112 G CA -0.287 44.834 45.100 0.035 0.000 0.650 112 G HN 0.386 nan 8.290 nan 0.000 0.529 113 N N 0.944 119.667 118.700 0.038 0.000 2.508 113 N HA 0.491 5.231 4.740 -0.000 0.000 0.264 113 N C 0.559 176.086 175.510 0.028 0.000 1.216 113 N CA 0.648 53.717 53.050 0.032 0.000 0.943 113 N CB 1.201 39.712 38.487 0.040 0.000 1.113 113 N HN 0.649 nan 8.380 nan 0.000 0.447 114 A N 1.986 124.819 122.820 0.021 0.000 2.404 114 A HA 0.257 4.576 4.320 -0.000 0.000 0.273 114 A C 1.302 178.899 177.584 0.020 0.000 1.144 114 A CA -0.368 51.680 52.037 0.018 0.000 0.806 114 A CB -0.515 18.492 19.000 0.012 0.000 1.080 114 A HN 0.799 nan 8.150 nan 0.000 0.509 115 I N -0.235 120.348 120.570 0.022 0.000 4.082 115 I HA 0.216 4.386 4.170 -0.000 0.000 0.337 115 I C 0.516 176.642 176.117 0.016 0.000 1.352 115 I CA 0.089 61.402 61.300 0.021 0.000 1.097 115 I CB 0.344 38.360 38.000 0.027 0.000 1.048 115 I HN 0.464 nan 8.210 nan 0.000 0.393 116 D N 1.357 121.765 120.400 0.012 0.000 2.339 116 D HA 0.098 4.738 4.640 -0.000 0.000 0.217 116 D C 1.682 177.985 176.300 0.005 0.000 1.050 116 D CA 0.452 54.455 54.000 0.006 0.000 0.856 116 D CB -0.144 40.658 40.800 0.003 0.000 0.922 116 D HN 0.423 nan 8.370 nan 0.000 0.518 117 G N 1.085 109.890 108.800 0.007 0.000 2.233 117 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.270 117 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.270 117 G C 0.754 175.656 174.900 0.004 0.000 1.011 117 G CA 0.596 45.700 45.100 0.006 0.000 0.762 117 G HN 0.481 nan 8.290 nan 0.000 0.511 118 K N 0.239 120.641 120.400 0.003 0.000 2.469 118 K HA 0.449 4.769 4.320 -0.000 0.000 0.201 118 K C 1.301 177.903 176.600 0.003 0.000 1.028 118 K CA 0.401 56.689 56.287 0.002 0.000 1.170 118 K CB 0.119 32.619 32.500 0.001 0.000 0.874 118 K HN 1.388 nan 8.250 nan 0.000 0.507 119 G N 2.670 111.472 108.800 0.004 0.000 2.662 119 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.686 119 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.686 119 G C -2.889 172.012 174.900 0.003 0.000 1.271 119 G CA -1.312 43.790 45.100 0.003 0.000 0.816 119 G HN -0.027 nan 8.290 nan 0.000 0.608 120 P HA 0.328 nan 4.420 nan 0.000 0.267 120 P C 0.762 178.059 177.300 -0.004 0.000 1.200 120 P CA -0.182 62.918 63.100 -0.000 0.000 0.772 120 P CB 0.450 32.150 31.700 -0.002 0.000 0.855 121 I N -0.797 119.769 120.570 -0.006 0.000 2.471 121 I HA 0.264 4.434 4.170 -0.000 0.000 0.286 121 I C 0.826 176.930 176.117 -0.022 0.000 1.079 121 I CA -0.243 61.048 61.300 -0.014 0.000 1.398 121 I CB 0.103 38.094 38.000 -0.015 0.000 1.403 121 I HN 0.419 nan 8.210 nan 0.000 0.530 122 G N 5.263 114.048 108.800 -0.025 0.000 3.392 122 G HA2 0.125 4.085 3.960 -0.000 0.000 0.247 122 G HA3 0.125 4.085 3.960 -0.000 0.000 0.247 122 G C 0.301 175.174 174.900 -0.045 0.000 1.161 122 G CA -0.433 44.649 45.100 -0.029 0.000 1.739 122 G HN 0.734 nan 8.290 nan 0.000 0.619 123 S N 0.375 116.043 115.700 -0.053 0.000 2.457 123 S HA 0.113 4.583 4.470 -0.000 0.000 0.294 123 S C 1.164 175.723 174.600 -0.069 0.000 1.201 123 S CA -0.202 57.952 58.200 -0.078 0.000 1.112 123 S CB 1.606 64.762 63.200 -0.073 0.000 1.018 123 S HN 0.526 nan 8.310 nan 0.000 0.511 124 K N 2.691 123.042 120.400 -0.081 0.000 1.979 124 K HA 0.132 4.452 4.320 -0.000 0.000 0.213 124 K C 1.064 177.632 176.600 -0.054 0.000 1.036 124 K CA 0.933 57.186 56.287 -0.056 0.000 0.954 124 K CB -0.173 32.299 32.500 -0.047 0.000 0.743 124 K HN 0.677 nan 8.250 nan 0.000 0.443 125 A N 1.662 124.441 122.820 -0.069 0.000 2.462 125 A HA 0.180 4.500 4.320 -0.000 0.000 0.243 125 A C -0.494 177.053 177.584 -0.063 0.000 1.076 125 A CA 0.151 52.160 52.037 -0.046 0.000 0.773 125 A CB 0.192 19.185 19.000 -0.013 0.000 1.010 125 A HN 0.266 nan 8.150 nan 0.000 0.493 126 R N 1.483 121.965 120.500 -0.031 0.000 2.451 126 R HA 0.369 4.708 4.340 -0.000 0.000 0.307 126 R C -0.359 175.936 176.300 -0.008 0.000 0.965 126 R CA -0.541 55.543 56.100 -0.027 0.000 0.865 126 R CB 2.125 32.413 30.300 -0.020 0.000 1.174 126 R HN 0.874 nan 8.270 nan 0.000 0.455 127 R N 1.617 122.115 120.500 -0.003 0.000 2.573 127 R HA 0.348 4.687 4.340 -0.000 0.000 0.272 127 R C -0.374 175.933 176.300 0.012 0.000 1.009 127 R CA -0.653 55.455 56.100 0.014 0.000 1.059 127 R CB 1.187 31.506 30.300 0.031 0.000 1.112 127 R HN 0.409 nan 8.270 nan 0.000 0.517 128 R N 1.894 122.401 120.500 0.011 0.000 2.298 128 R HA 0.139 4.479 4.340 -0.000 0.000 0.310 128 R C -0.201 176.104 176.300 0.008 0.000 1.068 128 R CA -0.449 55.653 56.100 0.005 0.000 0.957 128 R CB 1.101 31.398 30.300 -0.004 0.000 1.003 128 R HN 0.493 nan 8.270 nan 0.000 0.454 129 V N 0.936 120.856 119.914 0.009 0.000 2.811 129 V HA 0.496 4.616 4.120 -0.000 0.000 0.302 129 V C 0.702 176.773 176.094 -0.038 0.000 1.063 129 V CA -0.028 62.282 62.300 0.017 0.000 1.088 129 V CB 0.916 32.760 31.823 0.035 0.000 0.982 129 V HN 0.945 nan 8.190 nan 0.000 0.485 130 G N 3.749 112.520 108.800 -0.048 0.000 2.587 130 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.245 130 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.245 130 G C -0.979 173.871 174.900 -0.083 0.000 0.959 130 G CA 0.238 45.249 45.100 -0.148 0.000 1.268 130 G HN 1.152 nan 8.290 nan 0.000 0.448 131 L N 0.289 121.485 121.223 -0.046 0.000 2.327 131 L HA 0.669 5.009 4.340 -0.000 0.000 0.258 131 L C 0.564 177.420 176.870 -0.024 0.000 1.024 131 L CA -1.343 53.481 54.840 -0.027 0.000 0.825 131 L CB 1.943 43.998 42.059 -0.007 0.000 1.386 131 L HN 0.358 nan 8.230 nan 0.000 0.417 132 K N 0.663 121.053 120.400 -0.016 0.000 2.202 132 K HA 0.549 4.869 4.320 -0.000 0.000 0.264 132 K C -0.169 176.423 176.600 -0.013 0.000 1.010 132 K CA -0.199 56.082 56.287 -0.010 0.000 0.940 132 K CB 1.270 33.769 32.500 -0.002 0.000 0.983 132 K HN 0.635 nan 8.250 nan 0.000 0.475 133 A N 4.186 127.001 122.820 -0.009 0.000 2.406 133 A HA 0.258 4.577 4.320 -0.000 0.000 0.243 133 A C -2.152 175.406 177.584 -0.043 0.000 1.082 133 A CA -1.095 50.932 52.037 -0.017 0.000 0.786 133 A CB -0.486 18.511 19.000 -0.006 0.000 1.029 133 A HN 0.594 nan 8.150 nan 0.000 0.495 134 P HA 0.165 nan 4.420 nan 0.000 0.268 134 P C 0.671 177.907 177.300 -0.107 0.000 1.204 134 P CA 0.515 63.537 63.100 -0.131 0.000 0.768 134 P CB 0.239 31.834 31.700 -0.174 0.000 0.842 135 G N 2.152 110.884 108.800 -0.113 0.000 2.518 135 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.284 135 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.284 135 G C 1.011 175.874 174.900 -0.062 0.000 1.362 135 G CA -0.434 44.625 45.100 -0.067 0.000 1.065 135 G HN 0.597 nan 8.290 nan 0.000 0.561 136 I N -0.953 119.598 120.570 -0.031 0.000 2.353 136 I HA -0.075 4.095 4.170 -0.000 0.000 0.248 136 I C 2.085 178.192 176.117 -0.017 0.000 1.119 136 I CA 0.689 61.979 61.300 -0.017 0.000 1.417 136 I CB -0.001 37.999 38.000 -0.000 0.000 1.078 136 I HN 0.248 nan 8.210 nan 0.000 0.421 137 I N 2.124 122.686 120.570 -0.013 0.000 2.286 137 I HA -0.061 4.109 4.170 -0.000 0.000 0.245 137 I C -0.434 175.692 176.117 0.015 0.000 1.104 137 I CA 1.151 62.460 61.300 0.015 0.000 1.397 137 I CB -2.962 35.066 38.000 0.046 0.000 1.072 137 I HN 0.225 nan 8.210 nan 0.000 0.417 138 P HA -0.029 nan 4.420 nan 0.000 0.244 138 P C 0.185 177.409 177.300 -0.127 0.000 1.211 138 P CA 0.804 63.763 63.100 -0.236 0.000 0.760 138 P CB -0.017 31.142 31.700 -0.903 0.000 0.961 139 R N -0.400 120.073 120.500 -0.045 0.000 3.029 139 R HA 0.813 5.153 4.340 -0.000 0.000 0.239 139 R C -0.548 175.764 176.300 0.020 0.000 1.351 139 R CA -1.111 54.979 56.100 -0.017 0.000 1.052 139 R CB 1.301 31.583 30.300 -0.029 0.000 1.354 139 R HN -0.117 nan 8.270 nan 0.000 0.499 140 I N -1.716 118.866 120.570 0.021 0.000 2.908 140 I HA 0.244 4.413 4.170 -0.000 0.000 0.300 140 I C -0.856 175.272 176.117 0.019 0.000 1.385 140 I CA -0.243 61.073 61.300 0.026 0.000 1.004 140 I CB 2.580 40.602 38.000 0.037 0.000 1.309 140 I HN 0.516 nan 8.210 nan 0.000 0.449 141 S N 2.826 118.536 115.700 0.016 0.000 2.571 141 S HA 0.103 4.573 4.470 -0.000 0.000 0.298 141 S C -0.088 174.518 174.600 0.010 0.000 1.280 141 S CA -0.228 57.978 58.200 0.011 0.000 1.052 141 S CB 0.147 63.352 63.200 0.009 0.000 0.799 141 S HN 0.504 nan 8.310 nan 0.000 0.501 142 V N 5.080 124.997 119.914 0.005 0.000 2.485 142 V HA 0.106 4.226 4.120 -0.000 0.000 0.287 142 V C 1.193 177.283 176.094 -0.006 0.000 1.022 142 V CA 0.868 63.168 62.300 0.001 0.000 1.067 142 V CB 0.684 32.505 31.823 -0.004 0.000 0.967 142 V HN 0.834 nan 8.190 nan 0.000 0.479 143 R N 2.202 122.696 120.500 -0.011 0.000 2.573 143 R HA 0.218 4.558 4.340 -0.000 0.000 0.224 143 R C 0.092 176.368 176.300 -0.041 0.000 0.904 143 R CA -0.182 55.906 56.100 -0.019 0.000 0.995 143 R CB 0.732 31.026 30.300 -0.010 0.000 1.430 143 R HN 0.689 nan 8.270 nan 0.000 0.631 144 E N 2.490 122.656 120.200 -0.058 0.000 2.229 144 E HA 0.178 4.528 4.350 -0.000 0.000 0.283 144 E C -2.469 174.055 176.600 -0.127 0.000 1.030 144 E CA -2.244 54.092 56.400 -0.107 0.000 0.836 144 E CB 0.954 30.558 29.700 -0.160 0.000 1.068 144 E HN -0.078 nan 8.360 nan 0.000 0.401 145 P HA -0.055 nan 4.420 nan 0.000 0.267 145 P C -0.654 176.530 177.300 -0.193 0.000 1.200 145 P CA 0.190 63.207 63.100 -0.138 0.000 0.772 145 P CB 0.468 32.090 31.700 -0.131 0.000 0.855 146 M N 2.983 122.493 119.600 -0.150 0.000 2.018 146 M HA 0.169 4.649 4.480 -0.000 0.000 0.311 146 M C -0.749 175.482 176.300 -0.115 0.000 0.928 146 M CA -0.309 54.897 55.300 -0.157 0.000 0.911 146 M CB 0.896 33.431 32.600 -0.109 0.000 1.447 146 M HN 0.357 nan 8.290 nan 0.000 0.407 147 Q N 2.139 121.862 119.800 -0.129 0.000 2.243 147 Q HA 0.340 4.680 4.340 -0.000 0.000 0.252 147 Q C 0.942 176.954 176.000 0.020 0.000 0.909 147 Q CA -0.186 55.598 55.803 -0.032 0.000 0.922 147 Q CB 1.395 30.146 28.738 0.021 0.000 1.215 147 Q HN 0.767 nan 8.270 nan 0.000 0.427 148 T N -1.954 112.611 114.554 0.019 0.000 3.010 148 T HA 0.204 4.554 4.350 -0.000 0.000 0.252 148 T C 1.258 175.979 174.700 0.035 0.000 1.047 148 T CA 0.657 62.771 62.100 0.023 0.000 1.140 148 T CB 0.123 68.993 68.868 0.003 0.000 0.885 148 T HN 0.910 nan 8.240 nan 0.000 0.464 149 G N 1.439 110.261 108.800 0.036 0.000 2.176 149 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.232 149 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.232 149 G C -0.016 174.891 174.900 0.012 0.000 0.986 149 G CA -0.108 45.010 45.100 0.029 0.000 0.643 149 G HN 0.639 nan 8.290 nan 0.000 0.522 150 I N 2.625 123.199 120.570 0.008 0.000 2.312 150 I HA 0.223 4.393 4.170 -0.000 0.000 0.291 150 I C 1.829 177.950 176.117 0.007 0.000 1.031 150 I CA -0.547 60.754 61.300 0.001 0.000 1.293 150 I CB 1.222 39.218 38.000 -0.006 0.000 1.403 150 I HN 0.211 nan 8.210 nan 0.000 0.484 151 K N 5.846 126.251 120.400 0.009 0.000 2.020 151 K HA -0.229 4.091 4.320 -0.000 0.000 0.212 151 K C 1.897 178.504 176.600 0.013 0.000 1.050 151 K CA 1.663 57.958 56.287 0.014 0.000 0.929 151 K CB -0.618 31.893 32.500 0.019 0.000 0.714 151 K HN 0.646 nan 8.250 nan 0.000 0.443 152 A N 1.877 124.704 122.820 0.012 0.000 1.892 152 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 152 A C 2.582 180.173 177.584 0.013 0.000 1.188 152 A CA 2.213 54.258 52.037 0.015 0.000 0.631 152 A CB -0.946 18.064 19.000 0.017 0.000 0.822 152 A HN 0.173 nan 8.150 nan 0.000 0.447 153 V N 0.407 120.326 119.914 0.008 0.000 2.229 153 V HA -0.224 3.896 4.120 -0.000 0.000 0.243 153 V C 2.197 178.292 176.094 0.002 0.000 1.042 153 V CA 2.220 64.522 62.300 0.002 0.000 1.000 153 V CB -0.968 30.852 31.823 -0.005 0.000 0.637 153 V HN 0.489 nan 8.190 nan 0.000 0.446 154 D N 0.574 120.975 120.400 0.003 0.000 2.228 154 D HA -0.139 4.501 4.640 -0.000 0.000 0.203 154 D C 2.318 178.621 176.300 0.005 0.000 0.988 154 D CA 1.906 55.908 54.000 0.003 0.000 0.864 154 D CB -0.130 40.676 40.800 0.009 0.000 0.928 154 D HN 0.639 nan 8.370 nan 0.000 0.469 155 S N -1.290 114.416 115.700 0.010 0.000 2.483 155 S HA 0.130 4.600 4.470 -0.000 0.000 0.221 155 S C 1.729 176.336 174.600 0.011 0.000 1.030 155 S CA -0.090 58.117 58.200 0.012 0.000 0.925 155 S CB 0.235 63.444 63.200 0.016 0.000 0.795 155 S HN 0.198 nan 8.310 nan 0.000 0.511 156 L N 0.694 121.924 121.223 0.012 0.000 3.039 156 L HA 0.443 4.782 4.340 -0.000 0.000 0.269 156 L C -0.340 176.540 176.870 0.016 0.000 1.169 156 L CA -0.059 54.791 54.840 0.016 0.000 0.986 156 L CB 1.427 43.499 42.059 0.022 0.000 1.377 156 L HN 0.136 nan 8.230 nan 0.000 0.575 157 V N -0.178 119.741 119.914 0.009 0.000 2.793 157 V HA 0.203 4.323 4.120 -0.000 0.000 0.361 157 V C -2.467 173.623 176.094 -0.006 0.000 1.298 157 V CA -1.007 61.296 62.300 0.005 0.000 1.343 157 V CB 0.193 32.018 31.823 0.005 0.000 1.410 157 V HN -0.014 nan 8.190 nan 0.000 0.656 158 P HA 0.082 nan 4.420 nan 0.000 0.261 158 P C -0.568 176.718 177.300 -0.022 0.000 1.173 158 P CA 0.627 63.718 63.100 -0.015 0.000 0.760 158 P CB 0.899 32.591 31.700 -0.013 0.000 0.783 159 I N 2.258 122.809 120.570 -0.031 0.000 2.377 159 I HA 0.519 4.689 4.170 -0.000 0.000 0.293 159 I C 1.069 177.157 176.117 -0.048 0.000 0.987 159 I CA -0.696 60.582 61.300 -0.037 0.000 1.185 159 I CB 0.881 38.856 38.000 -0.041 0.000 1.341 159 I HN 0.347 nan 8.210 nan 0.000 0.455 160 G N 5.006 113.780 108.800 -0.044 0.000 2.537 160 G HA2 0.617 4.577 3.960 -0.000 0.000 0.323 160 G HA3 0.617 4.577 3.960 -0.000 0.000 0.323 160 G C -0.492 174.378 174.900 -0.049 0.000 1.207 160 G CA -0.921 44.147 45.100 -0.053 0.000 0.976 160 G HN 0.506 nan 8.290 nan 0.000 0.487 161 R N -0.395 120.072 120.500 -0.056 0.000 2.370 161 R HA 0.445 4.785 4.340 -0.000 0.000 0.309 161 R C 1.192 177.500 176.300 0.014 0.000 1.059 161 R CA 1.375 57.461 56.100 -0.024 0.000 0.981 161 R CB 0.896 31.173 30.300 -0.040 0.000 0.972 161 R HN 1.088 nan 8.270 nan 0.000 0.437 162 G N 1.603 110.415 108.800 0.020 0.000 2.238 162 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.217 162 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.217 162 G C 0.205 175.108 174.900 0.005 0.000 0.996 162 G CA -0.049 45.063 45.100 0.020 0.000 0.632 162 G HN 0.580 nan 8.290 nan 0.000 0.503 163 Q N 0.318 120.115 119.800 -0.005 0.000 2.443 163 Q HA 0.606 4.946 4.340 -0.000 0.000 0.232 163 Q C -0.132 175.860 176.000 -0.013 0.000 1.026 163 Q CA -0.131 55.665 55.803 -0.011 0.000 0.924 163 Q CB 0.309 29.036 28.738 -0.018 0.000 1.256 163 Q HN 0.376 nan 8.270 nan 0.000 0.519 164 R N 2.093 122.584 120.500 -0.015 0.000 2.412 164 R HA 0.271 4.611 4.340 -0.000 0.000 0.304 164 R C -1.540 174.740 176.300 -0.033 0.000 1.066 164 R CA -0.496 55.593 56.100 -0.018 0.000 0.923 164 R CB 1.466 31.759 30.300 -0.012 0.000 1.156 164 R HN 0.471 nan 8.270 nan 0.000 0.513 165 E N 2.772 122.945 120.200 -0.045 0.000 2.145 165 E HA 0.314 4.664 4.350 -0.000 0.000 0.270 165 E C -1.269 175.279 176.600 -0.085 0.000 0.906 165 E CA -0.890 55.472 56.400 -0.063 0.000 0.761 165 E CB 1.019 30.684 29.700 -0.058 0.000 1.116 165 E HN 0.405 nan 8.360 nan 0.000 0.408 166 L N 5.522 126.675 121.223 -0.118 0.000 2.326 166 L HA 0.472 4.812 4.340 -0.000 0.000 0.278 166 L C -0.921 175.841 176.870 -0.180 0.000 1.092 166 L CA -0.064 54.691 54.840 -0.143 0.000 0.810 166 L CB 0.640 42.597 42.059 -0.169 0.000 1.153 166 L HN 0.643 nan 8.230 nan 0.000 0.439 167 I N 6.721 127.206 120.570 -0.142 0.000 2.315 167 I HA 0.397 4.567 4.170 -0.000 0.000 0.291 167 I C -0.270 175.760 176.117 -0.144 0.000 1.006 167 I CA -0.109 61.109 61.300 -0.136 0.000 1.265 167 I CB 1.198 39.149 38.000 -0.082 0.000 1.387 167 I HN 0.566 nan 8.210 nan 0.000 0.475 168 I N 5.121 125.582 120.570 -0.182 0.000 2.686 168 I HA 0.900 5.070 4.170 -0.000 0.000 0.295 168 I C -0.335 175.769 176.117 -0.023 0.000 1.114 168 I CA -0.028 61.202 61.300 -0.118 0.000 1.038 168 I CB 2.089 39.982 38.000 -0.179 0.000 1.238 168 I HN 0.697 nan 8.210 nan 0.000 0.420 169 G N 4.829 113.639 108.800 0.016 0.000 2.349 169 G HA2 0.223 4.183 3.960 -0.000 0.000 0.294 169 G HA3 0.223 4.183 3.960 -0.000 0.000 0.294 169 G C -1.905 173.012 174.900 0.028 0.000 1.380 169 G CA -0.675 44.453 45.100 0.047 0.000 0.811 169 G HN 0.501 nan 8.290 nan 0.000 0.519 170 D N 0.036 120.450 120.400 0.022 0.000 2.414 170 D HA 0.329 4.969 4.640 -0.000 0.000 0.259 170 D C 1.079 177.369 176.300 -0.017 0.000 1.269 170 D CA -0.175 53.832 54.000 0.012 0.000 1.028 170 D CB 0.450 41.261 40.800 0.018 0.000 1.093 170 D HN 0.669 nan 8.370 nan 0.000 0.545 171 R N 0.102 120.594 120.500 -0.013 0.000 2.734 171 R HA 0.012 4.352 4.340 -0.000 0.000 0.266 171 R C -0.121 176.135 176.300 -0.072 0.000 1.044 171 R CA -0.288 55.796 56.100 -0.026 0.000 1.128 171 R CB 0.051 30.348 30.300 -0.006 0.000 1.010 171 R HN 0.170 nan 8.270 nan 0.000 0.461 172 Q N 0.349 120.095 119.800 -0.089 0.000 2.431 172 Q HA -0.160 4.180 4.340 -0.000 0.000 0.344 172 Q C -0.141 175.651 176.000 -0.347 0.000 1.384 172 Q CA 1.640 57.344 55.803 -0.165 0.000 0.984 172 Q CB -1.368 27.296 28.738 -0.122 0.000 1.204 172 Q HN 1.002 nan 8.270 nan 0.000 0.392 173 T N -4.985 109.392 114.554 -0.294 0.000 2.975 173 T HA 0.437 4.787 4.350 -0.000 0.000 0.257 173 T C 1.172 175.721 174.700 -0.252 0.000 1.003 173 T CA 0.529 62.401 62.100 -0.379 0.000 0.932 173 T CB 1.230 69.995 68.868 -0.171 0.000 1.087 173 T HN 0.659 nan 8.240 nan 0.000 0.512 174 G N 1.488 110.201 108.800 -0.144 0.000 2.198 174 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.156 174 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.156 174 G C 0.732 175.620 174.900 -0.019 0.000 1.012 174 G CA 0.135 45.217 45.100 -0.030 0.000 0.692 174 G HN 0.382 nan 8.290 nan 0.000 0.492 175 K N 0.295 120.676 120.400 -0.031 0.000 2.000 175 K HA -0.092 4.227 4.320 -0.000 0.000 0.218 175 K C 2.594 179.195 176.600 0.002 0.000 1.053 175 K CA 2.416 58.692 56.287 -0.018 0.000 0.946 175 K CB -0.443 32.043 32.500 -0.023 0.000 0.723 175 K HN 0.293 nan 8.250 nan 0.000 0.446 176 T N 0.618 115.185 114.554 0.021 0.000 2.833 176 T HA -0.103 4.247 4.350 -0.000 0.000 0.269 176 T C 1.983 176.705 174.700 0.037 0.000 1.054 176 T CA 1.445 63.584 62.100 0.066 0.000 1.135 176 T CB -0.226 68.703 68.868 0.101 0.000 0.869 176 T HN 0.156 nan 8.240 nan 0.000 0.466 177 S N 1.450 117.148 115.700 -0.003 0.000 2.370 177 S HA -0.079 4.391 4.470 -0.000 0.000 0.226 177 S C 2.033 176.600 174.600 -0.055 0.000 1.033 177 S CA 0.798 58.964 58.200 -0.056 0.000 1.011 177 S CB -0.379 62.767 63.200 -0.090 0.000 0.852 177 S HN 0.335 nan 8.310 nan 0.000 0.457 178 I N 2.318 122.871 120.570 -0.028 0.000 2.118 178 I HA -0.236 3.934 4.170 -0.000 0.000 0.241 178 I C 2.769 178.883 176.117 -0.005 0.000 1.070 178 I CA 1.590 62.877 61.300 -0.022 0.000 1.327 178 I CB -1.949 36.041 38.000 -0.018 0.000 1.034 178 I HN 0.260 nan 8.210 nan 0.000 0.405 179 A N 1.333 124.164 122.820 0.019 0.000 1.865 179 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 179 A C 2.312 179.926 177.584 0.051 0.000 1.191 179 A CA 1.454 53.519 52.037 0.047 0.000 0.623 179 A CB -0.708 18.355 19.000 0.105 0.000 0.826 179 A HN 0.292 nan 8.150 nan 0.000 0.444 180 I N 0.560 121.153 120.570 0.037 0.000 2.091 180 I HA -0.275 3.895 4.170 -0.000 0.000 0.239 180 I C 2.041 178.165 176.117 0.013 0.000 1.061 180 I CA 2.173 63.479 61.300 0.010 0.000 1.317 180 I CB -1.717 36.280 38.000 -0.004 0.000 1.031 180 I HN 0.303 nan 8.210 nan 0.000 0.401 181 D N 0.511 120.894 120.400 -0.028 0.000 2.133 181 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 181 D C 2.177 178.488 176.300 0.019 0.000 0.997 181 D CA 1.729 55.715 54.000 -0.023 0.000 0.840 181 D CB -0.347 40.414 40.800 -0.066 0.000 0.947 181 D HN 0.290 nan 8.370 nan 0.000 0.452 182 T N 0.604 115.171 114.554 0.021 0.000 2.684 182 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 182 T C 2.149 176.894 174.700 0.074 0.000 1.036 182 T CA 0.795 62.918 62.100 0.038 0.000 1.148 182 T CB -0.275 68.607 68.868 0.023 0.000 0.863 182 T HN 0.182 nan 8.240 nan 0.000 0.436 183 I N 0.850 121.473 120.570 0.088 0.000 2.179 183 I HA -0.166 4.004 4.170 -0.000 0.000 0.242 183 I C 2.287 178.543 176.117 0.231 0.000 1.088 183 I CA 0.962 62.355 61.300 0.155 0.000 1.357 183 I CB -0.475 37.589 38.000 0.106 0.000 1.051 183 I HN 0.197 nan 8.210 nan 0.000 0.409 184 I N 1.070 121.725 120.570 0.142 0.000 2.113 184 I HA -0.370 3.800 4.170 -0.000 0.000 0.242 184 I C 2.325 178.542 176.117 0.165 0.000 1.064 184 I CA 1.944 63.334 61.300 0.150 0.000 1.320 184 I CB -1.839 36.218 38.000 0.095 0.000 1.028 184 I HN 0.368 nan 8.210 nan 0.000 0.406 185 N N 0.994 119.753 118.700 0.098 0.000 2.182 185 N HA -0.243 4.497 4.740 -0.000 0.000 0.192 185 N C 1.573 177.099 175.510 0.027 0.000 1.007 185 N CA 1.266 54.347 53.050 0.052 0.000 0.873 185 N CB -0.034 38.499 38.487 0.076 0.000 0.998 185 N HN 0.314 nan 8.380 nan 0.000 0.436 186 Q N 0.093 119.927 119.800 0.056 0.000 2.541 186 Q HA -0.059 4.281 4.340 -0.000 0.000 0.215 186 Q C 1.462 177.251 176.000 -0.350 0.000 0.977 186 Q CA 0.513 56.290 55.803 -0.043 0.000 0.934 186 Q CB -0.124 28.473 28.738 -0.235 0.000 0.988 186 Q HN 0.532 nan 8.270 nan 0.000 0.521 187 K N 1.076 121.326 120.400 -0.249 0.000 2.155 187 K HA -0.060 4.260 4.320 -0.000 0.000 0.203 187 K C 1.715 178.138 176.600 -0.295 0.000 1.052 187 K CA 0.454 56.618 56.287 -0.204 0.000 0.948 187 K CB 0.225 32.768 32.500 0.071 0.000 0.728 187 K HN 0.144 nan 8.250 nan 0.000 0.448 188 R N -0.429 119.773 120.500 -0.498 0.000 2.105 188 R HA -0.144 4.195 4.340 -0.000 0.000 0.239 188 R C 1.800 177.686 176.300 -0.690 0.000 1.135 188 R CA 1.640 57.331 56.100 -0.680 0.000 0.967 188 R CB -0.360 29.311 30.300 -1.048 0.000 0.861 188 R HN 0.199 nan 8.270 nan 0.000 0.442 189 F N 0.189 120.036 119.950 -0.172 0.000 2.656 189 F HA 0.186 4.713 4.527 -0.000 0.000 0.291 189 F C 1.709 177.381 175.800 -0.214 0.000 1.122 189 F CA -0.040 57.851 58.000 -0.181 0.000 1.427 189 F CB -0.253 38.626 39.000 -0.202 0.000 1.125 189 F HN -0.126 nan 8.300 nan 0.000 0.583 190 N N 0.217 118.813 118.700 -0.172 0.000 2.494 190 N HA -0.087 4.653 4.740 -0.000 0.000 0.182 190 N C 0.738 176.194 175.510 -0.091 0.000 1.076 190 N CA 0.848 53.765 53.050 -0.221 0.000 0.908 190 N CB -0.177 38.007 38.487 -0.504 0.000 0.967 190 N HN 0.254 nan 8.380 nan 0.000 0.449 191 D N -0.502 119.849 120.400 -0.081 0.000 2.389 191 D HA 0.103 4.742 4.640 -0.000 0.000 0.206 191 D C 1.110 177.394 176.300 -0.028 0.000 1.055 191 D CA 0.147 54.126 54.000 -0.037 0.000 0.856 191 D CB 0.268 41.043 40.800 -0.042 0.000 0.957 191 D HN 0.080 nan 8.370 nan 0.000 0.509 192 G N -0.016 108.763 108.800 -0.034 0.000 2.616 192 G HA2 0.266 4.226 3.960 -0.000 0.000 0.268 192 G HA3 0.266 4.226 3.960 -0.000 0.000 0.268 192 G C 1.077 175.983 174.900 0.010 0.000 1.213 192 G CA 0.095 45.188 45.100 -0.012 0.000 0.926 192 G HN 0.075 nan 8.290 nan 0.000 0.523 193 T N -1.676 112.887 114.554 0.015 0.000 3.031 193 T HA 0.031 4.381 4.350 -0.000 0.000 0.254 193 T C 0.865 175.582 174.700 0.028 0.000 1.060 193 T CA 0.364 62.477 62.100 0.022 0.000 1.135 193 T CB 0.032 68.910 68.868 0.017 0.000 0.896 193 T HN 0.427 nan 8.240 nan 0.000 0.472 194 D N 2.386 122.802 120.400 0.027 0.000 2.356 194 D HA 0.035 4.675 4.640 -0.000 0.000 0.272 194 D C 0.678 176.995 176.300 0.029 0.000 1.337 194 D CA 0.123 54.139 54.000 0.026 0.000 0.970 194 D CB 0.532 41.347 40.800 0.025 0.000 1.092 194 D HN 0.352 nan 8.370 nan 0.000 0.516 195 E N 2.070 122.294 120.200 0.039 0.000 2.511 195 E HA -0.060 4.290 4.350 -0.000 0.000 0.196 195 E C 0.973 177.618 176.600 0.074 0.000 1.066 195 E CA 0.515 56.951 56.400 0.060 0.000 0.871 195 E CB 0.337 30.085 29.700 0.079 0.000 0.863 195 E HN 0.306 nan 8.360 nan 0.000 0.520 196 K N -0.354 120.073 120.400 0.044 0.000 2.387 196 K HA 0.132 4.452 4.320 -0.000 0.000 0.198 196 K C 0.988 177.530 176.600 -0.097 0.000 1.022 196 K CA 0.159 56.477 56.287 0.052 0.000 1.128 196 K CB 0.530 33.062 32.500 0.052 0.000 0.853 196 K HN -0.100 nan 8.250 nan 0.000 0.523 197 K N 0.219 120.553 120.400 -0.111 0.000 2.391 197 K HA 0.117 4.437 4.320 -0.000 0.000 0.197 197 K C -0.266 176.185 176.600 -0.248 0.000 1.087 197 K CA 0.047 56.183 56.287 -0.252 0.000 1.012 197 K CB 0.698 33.077 32.500 -0.202 0.000 0.925 197 K HN -0.031 nan 8.250 nan 0.000 0.547 198 K N 1.708 122.027 120.400 -0.134 0.000 2.448 198 K HA 0.087 4.407 4.320 -0.000 0.000 0.278 198 K C -0.562 175.840 176.600 -0.330 0.000 1.009 198 K CA -0.035 56.110 56.287 -0.237 0.000 0.995 198 K CB 0.511 32.872 32.500 -0.233 0.000 0.917 198 K HN -0.134 nan 8.250 nan 0.000 0.481 199 L N 4.272 125.209 121.223 -0.476 0.000 2.406 199 L HA 0.291 4.631 4.340 -0.000 0.000 0.270 199 L C -1.535 175.021 176.870 -0.524 0.000 0.982 199 L CA -0.531 54.082 54.840 -0.378 0.000 0.843 199 L CB 0.677 42.587 42.059 -0.249 0.000 1.225 199 L HN 0.423 nan 8.230 nan 0.000 0.412 200 Y N 3.189 123.353 120.300 -0.227 0.000 2.346 200 Y HA 0.376 4.926 4.550 -0.000 0.000 0.330 200 Y C 0.683 176.482 175.900 -0.168 0.000 1.178 200 Y CA 0.079 58.001 58.100 -0.297 0.000 1.331 200 Y CB 0.720 38.640 38.460 -0.899 0.000 1.253 200 Y HN 0.518 nan 8.280 nan 0.000 0.529 201 C N 4.213 123.586 119.300 0.122 0.000 2.376 201 C HA 0.703 5.162 4.460 -0.000 0.000 0.335 201 C C -0.177 174.855 174.990 0.070 0.000 1.229 201 C CA -0.967 58.108 59.018 0.095 0.000 1.867 201 C CB 0.107 27.951 27.740 0.174 0.000 2.319 201 C HN 0.595 nan 8.230 nan 0.000 0.515 202 I N 2.442 123.034 120.570 0.038 0.000 2.478 202 I HA 0.313 4.483 4.170 -0.000 0.000 0.287 202 I C -0.858 175.275 176.117 0.027 0.000 1.042 202 I CA -0.257 61.065 61.300 0.036 0.000 1.067 202 I CB 1.006 39.012 38.000 0.009 0.000 1.233 202 I HN 0.621 nan 8.210 nan 0.000 0.431 203 Y N 6.827 127.092 120.300 -0.058 0.000 2.335 203 Y HA 0.739 5.289 4.550 -0.000 0.000 0.338 203 Y C -1.005 174.865 175.900 -0.050 0.000 0.977 203 Y CA -0.818 57.241 58.100 -0.069 0.000 1.114 203 Y CB 1.349 39.782 38.460 -0.045 0.000 1.182 203 Y HN 0.272 nan 8.280 nan 0.000 0.463 204 V N 5.777 125.427 119.914 -0.441 0.000 2.384 204 V HA 0.754 4.874 4.120 -0.000 0.000 0.287 204 V C -0.290 175.569 176.094 -0.392 0.000 1.020 204 V CA -0.729 61.417 62.300 -0.256 0.000 0.850 204 V CB 1.047 32.808 31.823 -0.103 0.000 0.987 204 V HN 0.916 nan 8.190 nan 0.000 0.436 205 A N 7.092 129.843 122.820 -0.115 0.000 2.273 205 A HA 0.848 5.168 4.320 -0.000 0.000 0.315 205 A C -0.526 177.057 177.584 -0.002 0.000 1.256 205 A CA -0.487 51.538 52.037 -0.020 0.000 0.851 205 A CB 0.382 19.506 19.000 0.207 0.000 1.172 205 A HN 0.700 nan 8.150 nan 0.000 0.508 206 I N 1.328 121.885 120.570 -0.021 0.000 2.406 206 I HA 0.623 4.793 4.170 -0.000 0.000 0.290 206 I C 1.017 177.142 176.117 0.014 0.000 0.999 206 I CA 0.096 61.393 61.300 -0.004 0.000 1.124 206 I CB 0.352 38.341 38.000 -0.019 0.000 1.289 206 I HN 1.074 nan 8.210 nan 0.000 0.441 207 G N 4.539 113.353 108.800 0.024 0.000 2.175 207 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.265 207 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.265 207 G C 0.335 175.255 174.900 0.033 0.000 0.979 207 G CA 0.197 45.315 45.100 0.029 0.000 0.663 207 G HN 0.729 nan 8.290 nan 0.000 0.533 208 Q N 0.223 120.048 119.800 0.041 0.000 2.368 208 Q HA 0.436 4.776 4.340 -0.000 0.000 0.237 208 Q C 0.875 176.900 176.000 0.041 0.000 0.987 208 Q CA 0.049 55.881 55.803 0.048 0.000 0.896 208 Q CB 0.535 29.317 28.738 0.074 0.000 1.241 208 Q HN 0.640 nan 8.270 nan 0.000 0.485 209 K N 0.915 121.337 120.400 0.037 0.000 2.185 209 K HA 0.208 4.528 4.320 -0.000 0.000 0.271 209 K C 0.330 176.949 176.600 0.030 0.000 1.013 209 K CA -0.502 55.803 56.287 0.030 0.000 0.943 209 K CB 1.031 33.546 32.500 0.025 0.000 0.998 209 K HN 0.457 nan 8.250 nan 0.000 0.468 210 R N 1.156 121.672 120.500 0.026 0.000 2.117 210 R HA -0.165 4.175 4.340 -0.000 0.000 0.243 210 R C 2.021 178.332 176.300 0.019 0.000 1.143 210 R CA 2.004 58.119 56.100 0.024 0.000 0.968 210 R CB -0.694 29.618 30.300 0.020 0.000 0.863 210 R HN 0.774 nan 8.270 nan 0.000 0.444 211 S N 0.632 116.341 115.700 0.016 0.000 2.383 211 S HA -0.155 4.314 4.470 -0.000 0.000 0.229 211 S C 1.989 176.595 174.600 0.010 0.000 1.030 211 S CA 1.942 60.148 58.200 0.011 0.000 1.002 211 S CB -0.530 62.676 63.200 0.011 0.000 0.829 211 S HN 0.352 nan 8.310 nan 0.000 0.467 212 T N 2.454 117.019 114.554 0.018 0.000 2.746 212 T HA -0.053 4.297 4.350 -0.000 0.000 0.267 212 T C 1.997 176.702 174.700 0.008 0.000 1.039 212 T CA 1.418 63.529 62.100 0.020 0.000 1.142 212 T CB -0.525 68.364 68.868 0.035 0.000 0.866 212 T HN 0.273 nan 8.240 nan 0.000 0.444 213 V N 1.820 121.745 119.914 0.019 0.000 2.307 213 V HA -0.129 3.991 4.120 -0.000 0.000 0.245 213 V C 2.939 179.019 176.094 -0.022 0.000 1.045 213 V CA 1.573 63.876 62.300 0.006 0.000 1.024 213 V CB -1.354 30.494 31.823 0.042 0.000 0.651 213 V HN 0.515 nan 8.190 nan 0.000 0.449 214 A N -0.610 122.204 122.820 -0.010 0.000 1.917 214 A HA -0.277 4.043 4.320 -0.000 0.000 0.219 214 A C 2.216 179.781 177.584 -0.032 0.000 1.182 214 A CA 1.850 53.876 52.037 -0.019 0.000 0.633 214 A CB -0.519 18.475 19.000 -0.010 0.000 0.819 214 A HN 0.543 nan 8.150 nan 0.000 0.448 215 Q N -0.763 119.021 119.800 -0.027 0.000 2.084 215 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 215 Q C 2.154 178.121 176.000 -0.055 0.000 0.978 215 Q CA 1.062 56.844 55.803 -0.034 0.000 0.844 215 Q CB -0.586 28.141 28.738 -0.019 0.000 0.898 215 Q HN 0.629 nan 8.270 nan 0.000 0.426 216 L N 1.153 122.335 121.223 -0.069 0.000 1.955 216 L HA -0.158 4.182 4.340 -0.000 0.000 0.213 216 L C 2.516 179.305 176.870 -0.134 0.000 1.072 216 L CA 2.211 56.977 54.840 -0.125 0.000 0.755 216 L CB -1.253 40.691 42.059 -0.191 0.000 0.888 216 L HN 0.211 nan 8.230 nan 0.000 0.432 217 V N -1.485 118.358 119.914 -0.118 0.000 2.453 217 V HA -0.285 3.835 4.120 -0.000 0.000 0.252 217 V C 2.675 178.715 176.094 -0.090 0.000 1.068 217 V CA 2.160 64.397 62.300 -0.106 0.000 1.070 217 V CB -1.044 30.734 31.823 -0.074 0.000 0.664 217 V HN 0.515 nan 8.190 nan 0.000 0.461 218 K N 0.735 121.089 120.400 -0.077 0.000 1.985 218 K HA -0.273 4.047 4.320 -0.000 0.000 0.210 218 K C 2.465 179.013 176.600 -0.087 0.000 1.047 218 K CA 2.124 58.367 56.287 -0.073 0.000 0.932 218 K CB -0.340 32.121 32.500 -0.065 0.000 0.716 218 K HN 0.409 nan 8.250 nan 0.000 0.439 219 R N 1.098 121.541 120.500 -0.094 0.000 2.133 219 R HA -0.091 4.249 4.340 -0.000 0.000 0.247 219 R C 2.249 178.501 176.300 -0.080 0.000 1.151 219 R CA 1.399 57.437 56.100 -0.105 0.000 0.971 219 R CB -0.544 29.710 30.300 -0.076 0.000 0.866 219 R HN 0.323 nan 8.270 nan 0.000 0.447 220 L N -1.298 119.870 121.223 -0.092 0.000 2.072 220 L HA -0.096 4.243 4.340 -0.000 0.000 0.205 220 L C 2.108 178.910 176.870 -0.113 0.000 1.079 220 L CA 1.672 56.447 54.840 -0.109 0.000 0.752 220 L CB -0.498 41.471 42.059 -0.150 0.000 0.906 220 L HN 0.229 nan 8.230 nan 0.000 0.436 221 T N -1.101 113.394 114.554 -0.099 0.000 2.777 221 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 221 T C 1.391 176.047 174.700 -0.072 0.000 1.040 221 T CA 1.340 63.388 62.100 -0.086 0.000 1.141 221 T CB -0.255 68.572 68.868 -0.069 0.000 0.868 221 T HN 0.259 nan 8.240 nan 0.000 0.444 222 D N 1.527 121.883 120.400 -0.072 0.000 2.221 222 D HA -0.019 4.621 4.640 -0.000 0.000 0.204 222 D C 1.822 178.089 176.300 -0.055 0.000 0.982 222 D CA 0.942 54.902 54.000 -0.066 0.000 0.857 222 D CB -0.210 40.538 40.800 -0.086 0.000 0.934 222 D HN 0.462 nan 8.370 nan 0.000 0.475 223 A N -0.057 122.731 122.820 -0.054 0.000 2.308 223 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 223 A C 0.341 177.909 177.584 -0.027 0.000 1.216 223 A CA 0.215 52.235 52.037 -0.028 0.000 0.864 223 A CB 0.260 19.261 19.000 0.002 0.000 0.902 223 A HN 0.001 nan 8.150 nan 0.000 0.499 224 D N -2.370 117.998 120.400 -0.054 0.000 2.716 224 D HA -0.185 4.455 4.640 -0.000 0.000 0.239 224 D C 0.610 176.845 176.300 -0.107 0.000 1.125 224 D CA 1.016 54.984 54.000 -0.054 0.000 0.681 224 D CB -1.287 39.509 40.800 -0.007 0.000 1.070 224 D HN 0.530 nan 8.370 nan 0.000 0.432 225 A N -0.313 122.353 122.820 -0.256 0.000 2.324 225 A HA 0.190 4.510 4.320 -0.000 0.000 0.220 225 A C 2.010 179.129 177.584 -0.775 0.000 1.209 225 A CA 0.102 51.718 52.037 -0.702 0.000 0.918 225 A CB 0.105 18.828 19.000 -0.462 0.000 0.959 225 A HN 0.275 nan 8.150 nan 0.000 0.507 226 M N 1.194 120.573 119.600 -0.368 0.000 2.296 226 M HA -0.127 4.353 4.480 -0.000 0.000 0.265 226 M C 1.991 178.172 176.300 -0.198 0.000 1.064 226 M CA 1.605 56.757 55.300 -0.247 0.000 1.109 226 M CB -0.883 31.636 32.600 -0.134 0.000 1.396 226 M HN 0.678 nan 8.290 nan 0.000 0.430 227 K N 0.601 120.895 120.400 -0.177 0.000 2.074 227 K HA -0.198 4.122 4.320 -0.000 0.000 0.209 227 K C 1.269 177.911 176.600 0.070 0.000 1.048 227 K CA 1.940 58.214 56.287 -0.021 0.000 0.926 227 K CB -0.996 31.539 32.500 0.057 0.000 0.713 227 K HN 0.506 nan 8.250 nan 0.000 0.444 228 Y N 0.622 120.964 120.300 0.070 0.000 2.571 228 Y HA 0.439 4.989 4.550 -0.000 0.000 0.275 228 Y C -0.223 175.733 175.900 0.093 0.000 1.179 228 Y CA -0.858 57.310 58.100 0.113 0.000 1.242 228 Y CB 0.061 38.538 38.460 0.028 0.000 1.126 228 Y HN -0.210 nan 8.280 nan 0.000 0.524 229 T N 2.101 116.639 114.554 -0.026 0.000 2.887 229 T HA 0.625 4.974 4.350 -0.000 0.000 0.288 229 T C -0.688 174.033 174.700 0.035 0.000 1.021 229 T CA -0.532 61.568 62.100 -0.000 0.000 1.000 229 T CB 1.954 70.749 68.868 -0.122 0.000 1.034 229 T HN 0.115 nan 8.240 nan 0.000 0.467 230 I N 1.875 122.486 120.570 0.068 0.000 2.433 230 I HA 0.506 4.676 4.170 -0.000 0.000 0.292 230 I C -0.772 175.392 176.117 0.079 0.000 1.001 230 I CA -1.079 60.265 61.300 0.074 0.000 1.119 230 I CB 2.067 40.127 38.000 0.099 0.000 1.289 230 I HN 0.226 nan 8.210 nan 0.000 0.438 231 V N 6.926 126.882 119.914 0.070 0.000 2.334 231 V HA 0.312 4.432 4.120 -0.000 0.000 0.281 231 V C -0.082 176.067 176.094 0.091 0.000 1.016 231 V CA -0.662 61.700 62.300 0.103 0.000 0.832 231 V CB 1.722 33.593 31.823 0.080 0.000 0.999 231 V HN 0.393 nan 8.190 nan 0.000 0.439 232 V N 4.058 124.028 119.914 0.093 0.000 2.383 232 V HA 0.517 4.637 4.120 -0.000 0.000 0.275 232 V C 0.333 176.468 176.094 0.068 0.000 1.036 232 V CA -0.092 62.246 62.300 0.063 0.000 0.889 232 V CB 1.585 33.434 31.823 0.044 0.000 0.985 232 V HN 0.820 nan 8.190 nan 0.000 0.459 233 S N 3.967 119.704 115.700 0.061 0.000 2.659 233 S HA 0.739 5.209 4.470 -0.000 0.000 0.312 233 S C -0.243 174.384 174.600 0.045 0.000 1.114 233 S CA -0.221 58.017 58.200 0.063 0.000 1.063 233 S CB 1.086 64.328 63.200 0.070 0.000 0.996 233 S HN 1.071 nan 8.310 nan 0.000 0.478 234 A N 4.381 127.222 122.820 0.035 0.000 2.508 234 A HA 0.606 4.926 4.320 -0.000 0.000 0.336 234 A C 0.482 178.083 177.584 0.027 0.000 1.360 234 A CA -0.614 51.438 52.037 0.025 0.000 0.841 234 A CB -0.145 18.863 19.000 0.013 0.000 1.136 234 A HN 0.854 nan 8.150 nan 0.000 0.489 235 T N -1.300 113.272 114.554 0.030 0.000 2.847 235 T HA 0.555 4.905 4.350 -0.000 0.000 0.279 235 T C 1.593 176.308 174.700 0.024 0.000 0.984 235 T CA 0.018 62.137 62.100 0.031 0.000 0.988 235 T CB 1.272 70.160 68.868 0.034 0.000 1.040 235 T HN 1.193 nan 8.240 nan 0.000 0.528 236 A N 1.540 124.375 122.820 0.025 0.000 1.944 236 A HA -0.203 4.117 4.320 -0.000 0.000 0.222 236 A C 2.452 180.046 177.584 0.017 0.000 1.237 236 A CA 2.934 54.984 52.037 0.022 0.000 0.668 236 A CB -1.694 17.319 19.000 0.022 0.000 0.830 236 A HN 1.415 nan 8.150 nan 0.000 0.471 237 S N -0.982 114.727 115.700 0.016 0.000 2.593 237 S HA 0.101 4.571 4.470 -0.000 0.000 0.217 237 S C -0.109 174.498 174.600 0.011 0.000 0.966 237 S CA 0.001 58.209 58.200 0.013 0.000 0.914 237 S CB -0.237 62.971 63.200 0.013 0.000 0.776 237 S HN 0.429 nan 8.310 nan 0.000 0.523 238 D N 2.861 123.268 120.400 0.011 0.000 2.304 238 D HA 0.547 5.187 4.640 -0.000 0.000 0.250 238 D C 0.412 176.706 176.300 -0.010 0.000 1.107 238 D CA 0.070 54.074 54.000 0.005 0.000 0.885 238 D CB 1.480 42.284 40.800 0.008 0.000 1.192 238 D HN 0.428 nan 8.370 nan 0.000 0.436 239 A N 2.026 124.833 122.820 -0.022 0.000 2.613 239 A HA 0.204 4.524 4.320 -0.000 0.000 0.230 239 A C 1.558 179.103 177.584 -0.064 0.000 1.051 239 A CA 0.598 52.609 52.037 -0.044 0.000 0.754 239 A CB 0.106 19.070 19.000 -0.059 0.000 0.979 239 A HN 0.682 nan 8.150 nan 0.000 0.510 240 A N 3.520 126.312 122.820 -0.047 0.000 1.881 240 A HA -0.145 4.174 4.320 -0.000 0.000 0.219 240 A C 0.192 177.767 177.584 -0.014 0.000 1.215 240 A CA 2.215 54.239 52.037 -0.022 0.000 0.648 240 A CB -1.919 17.071 19.000 -0.017 0.000 0.832 240 A HN 0.705 nan 8.150 nan 0.000 0.455 241 P HA -0.165 nan 4.420 nan 0.000 0.216 241 P C 1.455 178.653 177.300 -0.170 0.000 1.150 241 P CA 1.251 64.281 63.100 -0.117 0.000 0.843 241 P CB -0.271 31.142 31.700 -0.478 0.000 0.787 242 L N -0.723 120.311 121.223 -0.315 0.000 2.056 242 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 242 L C 2.878 179.725 176.870 -0.038 0.000 1.078 242 L CA 1.494 56.224 54.840 -0.182 0.000 0.749 242 L CB -1.286 40.695 42.059 -0.129 0.000 0.901 242 L HN -0.045 nan 8.230 nan 0.000 0.433 243 Q N -0.929 118.870 119.800 -0.002 0.000 2.124 243 Q HA -0.246 4.094 4.340 -0.000 0.000 0.202 243 Q C 2.127 178.184 176.000 0.094 0.000 0.977 243 Q CA 1.807 57.633 55.803 0.038 0.000 0.850 243 Q CB -0.452 28.313 28.738 0.045 0.000 0.901 243 Q HN 0.506 nan 8.270 nan 0.000 0.429 244 Y N 1.747 122.049 120.300 0.005 0.000 2.049 244 Y HA -0.238 4.312 4.550 -0.000 0.000 0.277 244 Y C 1.880 177.846 175.900 0.111 0.000 1.143 244 Y CA 1.479 59.621 58.100 0.070 0.000 1.115 244 Y CB -0.608 37.912 38.460 0.100 0.000 0.975 244 Y HN -0.032 nan 8.280 nan 0.000 0.487 245 L N 0.236 121.278 121.223 -0.302 0.000 2.079 245 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 245 L C 2.852 179.688 176.870 -0.055 0.000 1.081 245 L CA 1.130 55.820 54.840 -0.249 0.000 0.752 245 L CB -1.233 40.778 42.059 -0.080 0.000 0.896 245 L HN 0.469 nan 8.230 nan 0.000 0.433 246 A N 0.942 123.732 122.820 -0.050 0.000 1.916 246 A HA -0.258 4.061 4.320 -0.000 0.000 0.224 246 A C -0.044 177.511 177.584 -0.049 0.000 1.366 246 A CA 2.784 54.803 52.037 -0.029 0.000 0.692 246 A CB -2.249 16.741 19.000 -0.016 0.000 0.841 246 A HN 0.351 nan 8.150 nan 0.000 0.480 247 P HA -0.126 nan 4.420 nan 0.000 0.218 247 P C 0.952 178.116 177.300 -0.226 0.000 1.149 247 P CA 1.426 64.399 63.100 -0.212 0.000 0.817 247 P CB -0.255 31.061 31.700 -0.640 0.000 0.785 248 Y N 1.204 121.444 120.300 -0.100 0.000 2.176 248 Y HA -0.124 4.426 4.550 -0.000 0.000 0.291 248 Y C 2.960 178.849 175.900 -0.019 0.000 1.122 248 Y CA 1.722 59.770 58.100 -0.087 0.000 1.128 248 Y CB -1.639 36.717 38.460 -0.173 0.000 1.005 248 Y HN 0.020 nan 8.280 nan 0.000 0.509 249 S N -0.348 115.432 115.700 0.133 0.000 2.420 249 S HA -0.171 4.299 4.470 -0.000 0.000 0.237 249 S C 2.227 176.877 174.600 0.082 0.000 1.023 249 S CA 1.274 59.529 58.200 0.091 0.000 0.991 249 S CB -1.197 62.046 63.200 0.072 0.000 0.792 249 S HN 0.485 nan 8.310 nan 0.000 0.488 250 G N -0.012 108.838 108.800 0.083 0.000 2.430 250 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.216 250 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.216 250 G C 1.645 176.605 174.900 0.099 0.000 1.146 250 G CA 0.599 45.746 45.100 0.079 0.000 0.793 250 G HN 0.606 nan 8.290 nan 0.000 0.537 251 C N 0.511 119.895 119.300 0.140 0.000 2.436 251 C HA -0.032 4.428 4.460 -0.000 0.000 0.277 251 C C 3.270 178.336 174.990 0.126 0.000 1.241 251 C CA 1.722 60.831 59.018 0.151 0.000 1.721 251 C CB -0.906 26.939 27.740 0.174 0.000 2.043 251 C HN 0.375 nan 8.230 nan 0.000 0.472 252 S N 0.319 116.087 115.700 0.113 0.000 2.359 252 S HA -0.283 4.186 4.470 -0.000 0.000 0.223 252 S C 1.745 176.411 174.600 0.110 0.000 1.039 252 S CA 2.317 60.574 58.200 0.094 0.000 1.042 252 S CB -0.493 62.750 63.200 0.072 0.000 0.915 252 S HN 0.645 nan 8.310 nan 0.000 0.439 253 M N 0.615 120.279 119.600 0.107 0.000 2.116 253 M HA -0.182 4.298 4.480 -0.000 0.000 0.255 253 M C 2.252 178.708 176.300 0.260 0.000 1.075 253 M CA 1.823 57.201 55.300 0.129 0.000 1.087 253 M CB -0.726 31.944 32.600 0.117 0.000 1.340 253 M HN 0.481 nan 8.290 nan 0.000 0.402 254 G N -1.061 107.892 108.800 0.256 0.000 2.572 254 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.216 254 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.216 254 G C 1.269 176.353 174.900 0.307 0.000 1.133 254 G CA 0.356 45.662 45.100 0.344 0.000 0.791 254 G HN 0.504 nan 8.290 nan 0.000 0.538 255 E N -0.464 119.852 120.200 0.195 0.000 2.107 255 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 255 E C 1.923 178.572 176.600 0.082 0.000 0.982 255 E CA 0.620 57.092 56.400 0.120 0.000 0.809 255 E CB -0.256 29.491 29.700 0.078 0.000 0.756 255 E HN 0.566 nan 8.360 nan 0.000 0.459 256 Y N 1.075 121.343 120.300 -0.053 0.000 2.102 256 Y HA -0.341 4.209 4.550 -0.000 0.000 0.280 256 Y C 1.745 177.517 175.900 -0.214 0.000 1.178 256 Y CA 1.756 59.740 58.100 -0.193 0.000 1.146 256 Y CB -0.520 37.742 38.460 -0.330 0.000 0.968 256 Y HN -0.076 nan 8.280 nan 0.000 0.504 257 F N 0.440 120.377 119.950 -0.022 0.000 2.051 257 F HA -0.146 4.381 4.527 -0.000 0.000 0.296 257 F C 2.867 178.582 175.800 -0.143 0.000 1.122 257 F CA 2.058 59.995 58.000 -0.106 0.000 1.201 257 F CB -1.067 37.982 39.000 0.082 0.000 0.978 257 F HN -0.067 nan 8.300 nan 0.000 0.472 258 R N 0.778 121.355 120.500 0.128 0.000 2.133 258 R HA -0.246 4.094 4.340 -0.000 0.000 0.245 258 R C 1.834 178.101 176.300 -0.054 0.000 1.137 258 R CA 2.491 58.601 56.100 0.017 0.000 0.947 258 R CB -0.755 29.565 30.300 0.034 0.000 0.865 258 R HN 0.219 nan 8.270 nan 0.000 0.437 259 D N 0.421 120.780 120.400 -0.067 0.000 2.123 259 D HA -0.124 4.516 4.640 -0.000 0.000 0.196 259 D C 0.711 176.945 176.300 -0.109 0.000 0.992 259 D CA 1.162 55.119 54.000 -0.072 0.000 0.833 259 D CB -0.484 40.271 40.800 -0.075 0.000 0.954 259 D HN 0.292 nan 8.370 nan 0.000 0.455 260 N N -0.102 118.470 118.700 -0.214 0.000 2.509 260 N HA 0.248 4.988 4.740 -0.000 0.000 0.239 260 N C 0.976 176.404 175.510 -0.136 0.000 1.215 260 N CA 0.546 53.464 53.050 -0.221 0.000 0.882 260 N CB 0.285 38.528 38.487 -0.407 0.000 1.189 260 N HN 0.173 nan 8.380 nan 0.000 0.490 261 G N -0.382 108.354 108.800 -0.107 0.000 2.175 261 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.265 261 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.265 261 G C 0.267 175.080 174.900 -0.145 0.000 0.979 261 G CA 0.483 45.521 45.100 -0.103 0.000 0.663 261 G HN 0.403 nan 8.290 nan 0.000 0.533 262 K N 0.142 120.476 120.400 -0.110 0.000 2.123 262 K HA 0.557 4.877 4.320 -0.000 0.000 0.248 262 K C -0.033 176.475 176.600 -0.154 0.000 0.969 262 K CA -0.863 55.431 56.287 0.011 0.000 0.882 262 K CB 0.737 33.414 32.500 0.295 0.000 1.080 262 K HN 0.330 nan 8.250 nan 0.000 0.441 263 H N 0.125 119.305 119.070 0.182 0.000 2.458 263 H HA 0.537 5.092 4.556 -0.000 0.000 0.330 263 H C -0.818 174.560 175.328 0.083 0.000 1.111 263 H CA -0.596 55.504 56.048 0.086 0.000 1.245 263 H CB 1.885 31.635 29.762 -0.020 0.000 1.456 263 H HN 0.643 nan 8.280 nan 0.000 0.488 264 A N 3.201 126.107 122.820 0.143 0.000 2.455 264 A HA 0.409 4.729 4.320 -0.000 0.000 0.300 264 A C -1.477 176.120 177.584 0.021 0.000 1.040 264 A CA -0.621 51.444 52.037 0.047 0.000 0.697 264 A CB 1.805 20.856 19.000 0.086 0.000 1.265 264 A HN 0.449 nan 8.150 nan 0.000 0.407 265 L N 2.474 123.684 121.223 -0.022 0.000 2.317 265 L HA 0.858 5.198 4.340 -0.000 0.000 0.281 265 L C -0.772 176.055 176.870 -0.072 0.000 1.024 265 L CA -0.599 54.216 54.840 -0.042 0.000 0.810 265 L CB 1.197 43.236 42.059 -0.035 0.000 1.240 265 L HN 0.683 nan 8.230 nan 0.000 0.427 266 I N 4.737 125.219 120.570 -0.147 0.000 2.571 266 I HA 0.497 4.667 4.170 -0.000 0.000 0.289 266 I C -1.539 174.312 176.117 -0.443 0.000 1.115 266 I CA -0.519 60.601 61.300 -0.301 0.000 1.045 266 I CB 1.659 39.414 38.000 -0.408 0.000 1.238 266 I HN 0.556 nan 8.210 nan 0.000 0.424 267 I N 8.161 128.468 120.570 -0.437 0.000 2.362 267 I HA 0.301 4.471 4.170 -0.000 0.000 0.289 267 I C -1.151 174.608 176.117 -0.597 0.000 0.994 267 I CA -0.218 60.833 61.300 -0.416 0.000 1.158 267 I CB 1.118 39.007 38.000 -0.184 0.000 1.315 267 I HN 0.310 nan 8.210 nan 0.000 0.451 268 Y N 4.126 124.265 120.300 -0.268 0.000 2.385 268 Y HA 0.436 4.986 4.550 -0.000 0.000 0.341 268 Y C -0.056 175.659 175.900 -0.309 0.000 0.965 268 Y CA -0.812 57.106 58.100 -0.304 0.000 1.180 268 Y CB 0.747 39.042 38.460 -0.276 0.000 1.139 268 Y HN 0.406 nan 8.280 nan 0.000 0.502 269 D N 3.485 123.742 120.400 -0.239 0.000 2.454 269 D HA 0.257 4.897 4.640 -0.000 0.000 0.247 269 D C -1.225 175.012 176.300 -0.105 0.000 1.129 269 D CA -0.446 53.442 54.000 -0.187 0.000 0.877 269 D CB 0.693 41.331 40.800 -0.270 0.000 1.082 269 D HN 0.583 nan 8.370 nan 0.000 0.537 270 D N 1.593 121.954 120.400 -0.065 0.000 2.414 270 D HA 0.328 4.968 4.640 -0.000 0.000 0.241 270 D C 1.299 177.536 176.300 -0.106 0.000 1.008 270 D CA -0.729 53.226 54.000 -0.074 0.000 1.001 270 D CB 1.881 42.652 40.800 -0.048 0.000 1.277 270 D HN 0.111 nan 8.370 nan 0.000 0.538 271 L N 0.214 121.333 121.223 -0.172 0.000 2.446 271 L HA -0.012 4.328 4.340 -0.000 0.000 0.219 271 L C 1.800 178.598 176.870 -0.121 0.000 1.116 271 L CA 0.450 55.119 54.840 -0.285 0.000 0.844 271 L CB -0.121 41.562 42.059 -0.627 0.000 0.970 271 L HN 0.354 nan 8.230 nan 0.000 0.457 272 S N 0.383 116.040 115.700 -0.071 0.000 2.348 272 S HA -0.174 4.296 4.470 -0.000 0.000 0.221 272 S C 1.895 176.529 174.600 0.058 0.000 1.033 272 S CA 1.316 59.518 58.200 0.004 0.000 1.010 272 S CB -0.077 63.127 63.200 0.007 0.000 0.891 272 S HN 0.376 nan 8.310 nan 0.000 0.442 273 K N 1.116 121.538 120.400 0.037 0.000 2.103 273 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 273 K C 2.417 179.068 176.600 0.086 0.000 1.048 273 K CA 1.115 57.438 56.287 0.059 0.000 0.930 273 K CB -0.187 32.335 32.500 0.036 0.000 0.716 273 K HN 0.388 nan 8.250 nan 0.000 0.444 274 Q N 0.810 120.654 119.800 0.072 0.000 2.119 274 Q HA -0.115 4.225 4.340 -0.000 0.000 0.201 274 Q C 2.065 178.188 176.000 0.205 0.000 0.972 274 Q CA 1.219 57.092 55.803 0.117 0.000 0.847 274 Q CB -0.036 28.736 28.738 0.057 0.000 0.903 274 Q HN 0.323 nan 8.270 nan 0.000 0.433 275 A N 0.203 123.150 122.820 0.210 0.000 1.902 275 A HA -0.140 4.179 4.320 -0.000 0.000 0.217 275 A C 2.217 180.033 177.584 0.386 0.000 1.181 275 A CA 1.565 53.744 52.037 0.236 0.000 0.623 275 A CB -0.754 18.304 19.000 0.097 0.000 0.818 275 A HN 0.290 nan 8.150 nan 0.000 0.443 276 V N -0.163 119.934 119.914 0.304 0.000 2.343 276 V HA -0.262 3.857 4.120 -0.000 0.000 0.247 276 V C 3.052 179.239 176.094 0.155 0.000 1.051 276 V CA 1.952 64.393 62.300 0.235 0.000 1.036 276 V CB -1.226 30.689 31.823 0.152 0.000 0.654 276 V HN 0.626 nan 8.190 nan 0.000 0.451 277 A N -1.080 121.835 122.820 0.157 0.000 1.933 277 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 277 A C 2.165 179.820 177.584 0.118 0.000 1.175 277 A CA 2.100 54.211 52.037 0.122 0.000 0.628 277 A CB -0.718 18.369 19.000 0.144 0.000 0.814 277 A HN 0.617 nan 8.150 nan 0.000 0.444 278 Y N 0.352 120.683 120.300 0.051 0.000 2.163 278 Y HA -0.162 4.388 4.550 -0.000 0.000 0.288 278 Y C 2.525 178.419 175.900 -0.010 0.000 1.136 278 Y CA 1.930 60.011 58.100 -0.032 0.000 1.147 278 Y CB -0.480 37.997 38.460 0.029 0.000 0.987 278 Y HN 0.347 nan 8.280 nan 0.000 0.509 279 R N 0.413 120.948 120.500 0.058 0.000 2.096 279 R HA -0.300 4.040 4.340 -0.000 0.000 0.240 279 R C 2.450 178.649 176.300 -0.169 0.000 1.139 279 R CA 2.228 58.287 56.100 -0.069 0.000 0.952 279 R CB -0.595 29.632 30.300 -0.122 0.000 0.854 279 R HN 0.583 nan 8.270 nan 0.000 0.436 280 Q N 0.069 119.804 119.800 -0.109 0.000 2.112 280 Q HA -0.225 4.115 4.340 -0.000 0.000 0.206 280 Q C 2.038 177.955 176.000 -0.137 0.000 0.987 280 Q CA 2.304 58.044 55.803 -0.104 0.000 0.858 280 Q CB -0.060 28.645 28.738 -0.056 0.000 0.905 280 Q HN 0.492 nan 8.270 nan 0.000 0.420 281 M N -0.356 119.128 119.600 -0.193 0.000 2.193 281 M HA -0.095 4.385 4.480 -0.000 0.000 0.265 281 M C 2.342 178.490 176.300 -0.253 0.000 1.071 281 M CA 1.274 56.449 55.300 -0.209 0.000 1.140 281 M CB 0.042 32.487 32.600 -0.258 0.000 1.369 281 M HN 0.133 nan 8.290 nan 0.000 0.423 282 S N 1.451 116.911 115.700 -0.400 0.000 2.359 282 S HA -0.153 4.317 4.470 -0.000 0.000 0.223 282 S C 1.906 176.395 174.600 -0.184 0.000 1.039 282 S CA 1.402 59.393 58.200 -0.349 0.000 1.042 282 S CB -0.715 62.222 63.200 -0.438 0.000 0.915 282 S HN 0.385 nan 8.310 nan 0.000 0.439 283 L N 0.854 121.981 121.223 -0.159 0.000 2.083 283 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 283 L C 2.225 179.045 176.870 -0.083 0.000 1.083 283 L CA 0.944 55.721 54.840 -0.106 0.000 0.752 283 L CB -0.544 41.452 42.059 -0.104 0.000 0.899 283 L HN 0.269 nan 8.230 nan 0.000 0.433 284 L N -0.718 120.452 121.223 -0.088 0.000 2.291 284 L HA -0.152 4.188 4.340 -0.000 0.000 0.214 284 L C 2.063 178.903 176.870 -0.050 0.000 1.120 284 L CA 0.739 55.542 54.840 -0.062 0.000 0.799 284 L CB -0.188 41.838 42.059 -0.055 0.000 0.925 284 L HN 0.285 nan 8.230 nan 0.000 0.446 285 L N -0.938 120.247 121.223 -0.064 0.000 2.591 285 L HA 0.077 4.417 4.340 -0.000 0.000 0.228 285 L C 0.862 177.710 176.870 -0.036 0.000 1.133 285 L CA 0.132 54.947 54.840 -0.043 0.000 0.880 285 L CB -0.032 41.995 42.059 -0.053 0.000 1.033 285 L HN 0.217 nan 8.230 nan 0.000 0.450 286 R N -0.406 120.068 120.500 -0.045 0.000 3.854 286 R HA -0.124 4.216 4.340 -0.000 0.000 0.352 286 R C -0.015 176.267 176.300 -0.031 0.000 1.156 286 R CA 0.333 56.413 56.100 -0.034 0.000 0.917 286 R CB -1.445 28.843 30.300 -0.020 0.000 1.471 286 R HN 0.344 nan 8.270 nan 0.000 0.521 287 R N 1.560 122.035 120.500 -0.042 0.000 2.679 287 R HA 0.184 4.523 4.340 -0.000 0.000 0.269 287 R C -1.932 174.355 176.300 -0.021 0.000 1.076 287 R CA -1.352 54.732 56.100 -0.027 0.000 1.160 287 R CB 0.023 30.301 30.300 -0.037 0.000 1.054 287 R HN -0.073 nan 8.270 nan 0.000 0.507 288 P HA 0.073 nan 4.420 nan 0.000 0.268 288 P C -2.474 174.832 177.300 0.009 0.000 1.204 288 P CA -0.994 62.107 63.100 0.002 0.000 0.768 288 P CB 0.115 31.821 31.700 0.010 0.000 0.842 289 P HA 0.405 nan 4.420 nan 0.000 0.298 289 P C -0.136 177.177 177.300 0.021 0.000 1.314 289 P CA -0.163 62.942 63.100 0.008 0.000 0.854 289 P CB 1.908 33.596 31.700 -0.020 0.000 1.019 290 G N 1.645 110.476 108.800 0.052 0.000 3.075 290 G HA2 0.413 4.373 3.960 -0.000 0.000 0.253 290 G HA3 0.413 4.373 3.960 -0.000 0.000 0.253 290 G C -0.653 174.256 174.900 0.015 0.000 1.353 290 G CA -1.091 44.024 45.100 0.026 0.000 1.051 290 G HN 0.537 nan 8.290 nan 0.000 0.553 291 R N 0.370 120.819 120.500 -0.084 0.000 2.466 291 R HA -0.094 4.246 4.340 -0.000 0.000 0.280 291 R C 0.282 176.626 176.300 0.074 0.000 0.926 291 R CA 1.590 57.623 56.100 -0.112 0.000 1.127 291 R CB -0.259 29.813 30.300 -0.381 0.000 0.871 291 R HN 0.816 nan 8.270 nan 0.000 0.421 292 E N 1.785 122.036 120.200 0.086 0.000 3.370 292 E HA -0.347 4.003 4.350 -0.000 0.000 0.291 292 E C 0.387 176.950 176.600 -0.062 0.000 0.916 292 E CA 0.582 57.060 56.400 0.130 0.000 0.981 292 E CB -1.381 28.573 29.700 0.424 0.000 1.498 292 E HN 0.902 nan 8.360 nan 0.000 0.452 293 A N -1.968 120.828 122.820 -0.041 0.000 3.172 293 A HA -0.294 4.026 4.320 -0.000 0.000 0.263 293 A C 0.044 177.545 177.584 -0.138 0.000 1.215 293 A CA 1.706 53.675 52.037 -0.115 0.000 1.065 293 A CB -2.066 16.831 19.000 -0.171 0.000 1.148 293 A HN 0.401 nan 8.150 nan 0.000 0.904 294 Y N 0.893 121.289 120.300 0.160 0.000 2.346 294 Y HA 0.447 4.997 4.550 -0.000 0.000 0.330 294 Y C -1.295 174.716 175.900 0.184 0.000 1.178 294 Y CA -1.297 56.927 58.100 0.207 0.000 1.331 294 Y CB 0.322 39.009 38.460 0.378 0.000 1.253 294 Y HN 0.248 nan 8.280 nan 0.000 0.529 295 P HA 0.011 nan 4.420 nan 0.000 0.270 295 P C 0.633 178.103 177.300 0.284 0.000 1.223 295 P CA 0.051 63.275 63.100 0.207 0.000 0.785 295 P CB 0.824 32.605 31.700 0.136 0.000 0.923 296 G N 1.052 109.979 108.800 0.210 0.000 2.559 296 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.216 296 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.216 296 G C 0.627 175.670 174.900 0.238 0.000 1.126 296 G CA 0.331 45.555 45.100 0.207 0.000 0.778 296 G HN 0.642 nan 8.290 nan 0.000 0.543 297 D N 0.094 120.665 120.400 0.285 0.000 2.463 297 D HA 0.085 4.724 4.640 -0.000 0.000 0.224 297 D C 1.637 178.112 176.300 0.291 0.000 1.174 297 D CA -0.443 53.758 54.000 0.336 0.000 0.829 297 D CB 0.217 41.252 40.800 0.393 0.000 0.993 297 D HN 0.074 nan 8.370 nan 0.000 0.497 298 V N -0.212 119.849 119.914 0.246 0.000 2.548 298 V HA -0.088 4.032 4.120 -0.000 0.000 0.249 298 V C 1.794 177.799 176.094 -0.149 0.000 1.055 298 V CA 1.057 63.370 62.300 0.023 0.000 1.065 298 V CB -0.714 31.122 31.823 0.021 0.000 0.681 298 V HN 0.215 nan 8.190 nan 0.000 0.462 299 F N 0.273 120.184 119.950 -0.065 0.000 2.075 299 F HA -0.237 4.290 4.527 -0.000 0.000 0.297 299 F C 2.194 178.007 175.800 0.022 0.000 1.113 299 F CA 2.480 60.456 58.000 -0.042 0.000 1.218 299 F CB -0.632 38.399 39.000 0.052 0.000 0.984 299 F HN 0.361 nan 8.300 nan 0.000 0.472 300 Y N 0.644 120.998 120.300 0.090 0.000 2.403 300 Y HA -0.166 4.384 4.550 -0.000 0.000 0.291 300 Y C 1.920 177.749 175.900 -0.119 0.000 1.143 300 Y CA 1.360 59.474 58.100 0.023 0.000 1.257 300 Y CB -0.705 37.817 38.460 0.103 0.000 0.984 300 Y HN 0.264 nan 8.280 nan 0.000 0.550 301 L N -0.650 120.407 121.223 -0.276 0.000 2.093 301 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 301 L C 2.150 178.869 176.870 -0.251 0.000 1.085 301 L CA 1.995 56.600 54.840 -0.392 0.000 0.755 301 L CB -0.559 41.160 42.059 -0.566 0.000 0.904 301 L HN 0.291 nan 8.230 nan 0.000 0.435 302 H N -1.738 117.147 119.070 -0.308 0.000 2.384 302 H HA -0.046 4.510 4.556 -0.000 0.000 0.300 302 H C 2.417 177.536 175.328 -0.348 0.000 1.057 302 H CA 0.929 56.760 56.048 -0.361 0.000 1.370 302 H CB 0.032 29.552 29.762 -0.403 0.000 1.417 302 H HN 0.488 nan 8.280 nan 0.000 0.527 303 S N 1.333 116.847 115.700 -0.310 0.000 2.359 303 S HA -0.224 4.246 4.470 -0.000 0.000 0.224 303 S C 2.040 176.581 174.600 -0.099 0.000 1.035 303 S CA 1.086 59.138 58.200 -0.246 0.000 1.018 303 S CB -0.283 62.768 63.200 -0.248 0.000 0.876 303 S HN 0.309 nan 8.310 nan 0.000 0.448 304 R N 0.406 120.840 120.500 -0.110 0.000 2.096 304 R HA -0.047 4.293 4.340 -0.000 0.000 0.240 304 R C 2.451 178.740 176.300 -0.018 0.000 1.139 304 R CA 1.641 57.685 56.100 -0.093 0.000 0.952 304 R CB -0.674 29.470 30.300 -0.262 0.000 0.854 304 R HN 0.471 nan 8.270 nan 0.000 0.436 305 L N 0.889 122.118 121.223 0.010 0.000 1.973 305 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 305 L C 1.864 178.682 176.870 -0.086 0.000 1.073 305 L CA 1.731 56.550 54.840 -0.035 0.000 0.746 305 L CB -0.480 41.395 42.059 -0.307 0.000 0.891 305 L HN 0.148 nan 8.230 nan 0.000 0.433 306 L N -0.299 120.847 121.223 -0.128 0.000 2.549 306 L HA -0.106 4.234 4.340 -0.000 0.000 0.230 306 L C 2.207 179.062 176.870 -0.025 0.000 1.162 306 L CA 0.460 55.254 54.840 -0.076 0.000 0.834 306 L CB -0.555 41.434 42.059 -0.117 0.000 0.947 306 L HN 0.410 nan 8.230 nan 0.000 0.452 307 E N 0.160 120.349 120.200 -0.020 0.000 2.250 307 E HA -0.040 4.310 4.350 -0.000 0.000 0.192 307 E C 1.980 178.584 176.600 0.006 0.000 0.986 307 E CA 0.315 56.714 56.400 -0.002 0.000 0.849 307 E CB 0.132 29.835 29.700 0.007 0.000 0.797 307 E HN 0.438 nan 8.360 nan 0.000 0.482 308 R N 0.816 121.325 120.500 0.016 0.000 2.341 308 R HA 0.021 4.361 4.340 -0.000 0.000 0.213 308 R C 0.752 177.071 176.300 0.031 0.000 1.082 308 R CA 0.495 56.610 56.100 0.026 0.000 1.017 308 R CB -0.081 30.248 30.300 0.048 0.000 0.860 308 R HN -0.078 nan 8.270 nan 0.000 0.473 309 A N 0.889 123.728 122.820 0.031 0.000 2.301 309 A HA 0.747 5.067 4.320 -0.000 0.000 0.312 309 A C -0.321 177.271 177.584 0.012 0.000 1.182 309 A CA -0.136 51.919 52.037 0.030 0.000 0.826 309 A CB 1.020 20.042 19.000 0.036 0.000 1.134 309 A HN 0.241 nan 8.150 nan 0.000 0.501 310 A N 1.646 124.472 122.820 0.010 0.000 2.549 310 A HA 0.626 4.946 4.320 -0.000 0.000 0.291 310 A C -1.034 176.554 177.584 0.007 0.000 1.034 310 A CA -0.695 51.342 52.037 0.000 0.000 0.655 310 A CB 0.654 19.643 19.000 -0.019 0.000 1.299 310 A HN 1.021 nan 8.150 nan 0.000 0.427 311 K N 1.680 122.086 120.400 0.009 0.000 2.253 311 K HA 0.590 4.910 4.320 -0.000 0.000 0.277 311 K C -0.067 176.539 176.600 0.011 0.000 1.053 311 K CA -0.238 56.064 56.287 0.025 0.000 0.892 311 K CB 0.279 32.799 32.500 0.033 0.000 1.102 311 K HN 0.602 nan 8.250 nan 0.000 0.469 312 M N 2.463 122.070 119.600 0.013 0.000 2.197 312 M HA 0.192 4.671 4.480 -0.000 0.000 0.305 312 M C 0.242 176.584 176.300 0.070 0.000 1.162 312 M CA -0.587 54.723 55.300 0.017 0.000 1.099 312 M CB 0.260 32.878 32.600 0.030 0.000 1.430 312 M HN 0.762 nan 8.290 nan 0.000 0.481 313 N N 0.204 118.984 118.700 0.134 0.000 2.487 313 N HA 0.165 4.905 4.740 -0.000 0.000 0.292 313 N C -0.021 175.579 175.510 0.150 0.000 1.108 313 N CA -0.429 52.710 53.050 0.149 0.000 0.956 313 N CB 0.628 39.215 38.487 0.166 0.000 1.176 313 N HN 0.429 nan 8.380 nan 0.000 0.484 314 D N 1.198 121.648 120.400 0.083 0.000 2.172 314 D HA -0.267 4.373 4.640 -0.000 0.000 0.196 314 D C 1.441 177.752 176.300 0.018 0.000 0.999 314 D CA 1.984 56.012 54.000 0.047 0.000 0.856 314 D CB -0.301 40.516 40.800 0.028 0.000 0.934 314 D HN 0.768 nan 8.370 nan 0.000 0.453 315 A N 0.149 122.977 122.820 0.013 0.000 2.024 315 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 315 A C 1.686 179.103 177.584 -0.279 0.000 1.164 315 A CA 1.087 53.058 52.037 -0.109 0.000 0.643 315 A CB -0.576 18.373 19.000 -0.085 0.000 0.806 315 A HN 0.173 nan 8.150 nan 0.000 0.451 316 F N -2.309 117.632 119.950 -0.016 0.000 2.704 316 F HA 0.395 4.922 4.527 -0.000 0.000 0.304 316 F C 1.778 177.556 175.800 -0.037 0.000 1.094 316 F CA 0.669 58.655 58.000 -0.024 0.000 1.275 316 F CB 0.968 39.956 39.000 -0.020 0.000 1.073 316 F HN 0.347 nan 8.300 nan 0.000 0.586 317 G N -0.927 107.929 108.800 0.094 0.000 2.296 317 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.188 317 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.188 317 G C 1.244 176.154 174.900 0.017 0.000 1.000 317 G CA -0.171 44.948 45.100 0.033 0.000 0.672 317 G HN 0.830 nan 8.290 nan 0.000 0.483 318 G N -0.161 108.668 108.800 0.048 0.000 2.205 318 G HA2 0.128 4.088 3.960 -0.000 0.000 0.269 318 G HA3 0.128 4.088 3.960 -0.000 0.000 0.269 318 G C 1.386 176.271 174.900 -0.026 0.000 0.977 318 G CA 1.303 46.428 45.100 0.042 0.000 0.652 318 G HN 2.059 nan 8.290 nan 0.000 0.539 319 G N -0.282 108.448 108.800 -0.117 0.000 2.569 319 G HA2 0.634 4.594 3.960 -0.000 0.000 0.249 319 G HA3 0.634 4.594 3.960 -0.000 0.000 0.249 319 G C 0.361 175.160 174.900 -0.170 0.000 1.216 319 G CA 1.150 46.063 45.100 -0.310 0.000 0.845 319 G HN 1.701 nan 8.290 nan 0.000 0.568 320 S N -0.697 114.902 115.700 -0.167 0.000 2.704 320 S HA 0.742 5.212 4.470 -0.000 0.000 0.296 320 S C -1.282 173.360 174.600 0.070 0.000 1.138 320 S CA -0.853 57.378 58.200 0.051 0.000 0.875 320 S CB 2.069 65.394 63.200 0.208 0.000 1.151 320 S HN 1.088 nan 8.310 nan 0.000 0.500 321 L N 1.618 122.879 121.223 0.064 0.000 2.568 321 L HA 0.532 4.872 4.340 -0.000 0.000 0.262 321 L C -0.765 176.123 176.870 0.030 0.000 0.980 321 L CA 0.221 55.095 54.840 0.056 0.000 0.882 321 L CB 1.507 43.601 42.059 0.058 0.000 1.198 321 L HN 0.932 nan 8.230 nan 0.000 0.425 322 T N 3.082 117.644 114.554 0.012 0.000 2.909 322 T HA 0.847 5.197 4.350 -0.000 0.000 0.286 322 T C -0.139 174.538 174.700 -0.038 0.000 1.002 322 T CA -0.120 61.973 62.100 -0.012 0.000 1.074 322 T CB 1.508 70.361 68.868 -0.026 0.000 0.984 322 T HN 0.747 nan 8.240 nan 0.000 0.495 323 A N 2.793 125.592 122.820 -0.035 0.000 2.356 323 A HA 0.731 5.051 4.320 -0.000 0.000 0.310 323 A C -0.845 176.701 177.584 -0.063 0.000 1.075 323 A CA -0.756 51.239 52.037 -0.069 0.000 0.746 323 A CB 0.829 19.844 19.000 0.026 0.000 1.221 323 A HN 0.829 nan 8.150 nan 0.000 0.443 324 L N 4.238 125.390 121.223 -0.118 0.000 2.301 324 L HA 0.413 4.752 4.340 -0.000 0.000 0.278 324 L C -2.462 174.363 176.870 -0.074 0.000 1.022 324 L CA -1.758 53.030 54.840 -0.087 0.000 0.854 324 L CB 1.891 43.901 42.059 -0.082 0.000 1.226 324 L HN 0.452 nan 8.230 nan 0.000 0.429 325 P HA 0.333 nan 4.420 nan 0.000 0.296 325 P C -0.822 176.442 177.300 -0.061 0.000 1.301 325 P CA -0.541 62.582 63.100 0.039 0.000 0.862 325 P CB 2.191 33.890 31.700 -0.002 0.000 1.046 326 V N 4.157 124.029 119.914 -0.072 0.000 2.435 326 V HA 0.450 4.570 4.120 -0.000 0.000 0.290 326 V C 0.217 176.251 176.094 -0.100 0.000 1.030 326 V CA -0.548 61.702 62.300 -0.083 0.000 0.881 326 V CB 1.577 33.362 31.823 -0.063 0.000 0.983 326 V HN 0.420 nan 8.190 nan 0.000 0.445 327 I N 3.261 123.777 120.570 -0.091 0.000 2.498 327 I HA 0.421 4.591 4.170 -0.000 0.000 0.290 327 I C -0.006 176.089 176.117 -0.038 0.000 1.032 327 I CA -0.412 60.841 61.300 -0.078 0.000 1.073 327 I CB 2.070 40.018 38.000 -0.086 0.000 1.251 327 I HN 0.811 nan 8.210 nan 0.000 0.426 328 E N 5.250 125.440 120.200 -0.017 0.000 2.081 328 E HA 0.325 4.674 4.350 -0.000 0.000 0.276 328 E C -0.280 176.335 176.600 0.025 0.000 0.950 328 E CA -0.381 56.022 56.400 0.004 0.000 0.776 328 E CB 0.997 30.703 29.700 0.010 0.000 1.094 328 E HN 0.722 nan 8.360 nan 0.000 0.402 329 T N 1.926 116.503 114.554 0.037 0.000 2.788 329 T HA 0.259 4.609 4.350 -0.000 0.000 0.280 329 T C 0.082 174.814 174.700 0.053 0.000 0.984 329 T CA -0.811 61.323 62.100 0.057 0.000 0.972 329 T CB 1.271 70.187 68.868 0.080 0.000 1.039 329 T HN 0.377 nan 8.240 nan 0.000 0.530 330 Q N 0.194 120.030 119.800 0.060 0.000 2.309 330 Q HA 0.531 4.871 4.340 -0.000 0.000 0.270 330 Q C 0.173 176.204 176.000 0.051 0.000 1.023 330 Q CA -0.215 55.621 55.803 0.054 0.000 0.758 330 Q CB 1.450 30.224 28.738 0.060 0.000 1.247 330 Q HN 1.274 nan 8.270 nan 0.000 0.455 331 A N 2.105 124.952 122.820 0.045 0.000 2.745 331 A HA -0.171 4.149 4.320 -0.000 0.000 0.296 331 A C 1.132 178.741 177.584 0.042 0.000 1.500 331 A CA 1.364 53.426 52.037 0.042 0.000 0.766 331 A CB -2.159 16.864 19.000 0.038 0.000 1.030 331 A HN 1.589 nan 8.150 nan 0.000 0.489 332 G N -0.864 107.965 108.800 0.048 0.000 2.233 332 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.270 332 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.270 332 G C 0.070 174.999 174.900 0.048 0.000 1.011 332 G CA 1.137 46.267 45.100 0.051 0.000 0.762 332 G HN 1.676 nan 8.290 nan 0.000 0.511 333 D N 0.191 120.624 120.400 0.055 0.000 2.545 333 D HA 0.320 4.960 4.640 -0.000 0.000 0.227 333 D C 1.481 177.827 176.300 0.076 0.000 1.150 333 D CA -0.011 54.023 54.000 0.057 0.000 1.046 333 D CB 0.404 41.241 40.800 0.062 0.000 1.098 333 D HN 0.048 nan 8.370 nan 0.000 0.502 334 V N 2.523 122.483 119.914 0.077 0.000 3.078 334 V HA -0.136 3.984 4.120 -0.000 0.000 0.265 334 V C 1.833 177.992 176.094 0.109 0.000 1.122 334 V CA 1.988 64.358 62.300 0.117 0.000 1.141 334 V CB -0.241 31.648 31.823 0.110 0.000 0.735 334 V HN 0.614 nan 8.190 nan 0.000 0.498 335 S N -0.876 114.875 115.700 0.086 0.000 2.575 335 S HA 0.502 4.972 4.470 -0.000 0.000 0.237 335 S C 0.668 175.334 174.600 0.109 0.000 0.975 335 S CA 0.208 58.463 58.200 0.091 0.000 0.960 335 S CB 0.321 63.560 63.200 0.065 0.000 0.822 335 S HN 0.490 nan 8.310 nan 0.000 0.472 336 A N 1.112 124.002 122.820 0.117 0.000 2.292 336 A HA 0.488 4.808 4.320 -0.000 0.000 0.265 336 A C 0.892 178.605 177.584 0.215 0.000 1.133 336 A CA -0.311 51.815 52.037 0.149 0.000 0.807 336 A CB -0.445 18.638 19.000 0.139 0.000 1.102 336 A HN 0.407 nan 8.150 nan 0.000 0.502 337 Y N -0.177 120.165 120.300 0.070 0.000 2.009 337 Y HA -0.221 4.329 4.550 -0.000 0.000 0.260 337 Y C 2.057 177.961 175.900 0.007 0.000 1.118 337 Y CA 2.342 60.470 58.100 0.047 0.000 1.087 337 Y CB -0.867 37.637 38.460 0.074 0.000 0.970 337 Y HN 0.450 nan 8.280 nan 0.000 0.481 338 I N 0.563 120.998 120.570 -0.225 0.000 2.151 338 I HA -0.250 3.920 4.170 -0.000 0.000 0.243 338 I C -0.758 175.308 176.117 -0.086 0.000 1.080 338 I CA 1.812 62.940 61.300 -0.287 0.000 1.339 338 I CB -1.923 35.889 38.000 -0.313 0.000 1.039 338 I HN 0.231 nan 8.210 nan 0.000 0.409 339 P HA -0.120 nan 4.420 nan 0.000 0.218 339 P C 1.756 179.093 177.300 0.061 0.000 1.148 339 P CA 1.557 64.674 63.100 0.028 0.000 0.822 339 P CB -0.221 31.520 31.700 0.068 0.000 0.784 340 T N -0.662 113.947 114.554 0.093 0.000 2.708 340 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 340 T C 1.588 176.376 174.700 0.147 0.000 1.037 340 T CA 1.486 63.666 62.100 0.133 0.000 1.146 340 T CB -0.848 68.131 68.868 0.185 0.000 0.865 340 T HN 0.114 nan 8.240 nan 0.000 0.435 341 N N 1.205 119.984 118.700 0.132 0.000 2.013 341 N HA -0.092 4.648 4.740 -0.000 0.000 0.195 341 N C 2.023 177.602 175.510 0.115 0.000 1.051 341 N CA 1.141 54.323 53.050 0.219 0.000 0.851 341 N CB -1.102 37.438 38.487 0.089 0.000 1.044 341 N HN 0.210 nan 8.380 nan 0.000 0.422 342 V N 1.647 121.558 119.914 -0.005 0.000 2.469 342 V HA -0.156 3.964 4.120 -0.000 0.000 0.251 342 V C 2.256 178.333 176.094 -0.028 0.000 1.064 342 V CA 1.152 63.407 62.300 -0.075 0.000 1.066 342 V CB -0.560 31.171 31.823 -0.154 0.000 0.667 342 V HN 0.267 nan 8.190 nan 0.000 0.461 343 I N 1.151 121.734 120.570 0.021 0.000 2.252 343 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 343 I C 2.664 178.820 176.117 0.066 0.000 1.102 343 I CA 1.872 63.195 61.300 0.038 0.000 1.385 343 I CB -0.408 37.652 38.000 0.099 0.000 1.064 343 I HN 0.511 nan 8.210 nan 0.000 0.414 344 S N 0.754 116.521 115.700 0.112 0.000 2.474 344 S HA -0.027 4.443 4.470 -0.000 0.000 0.235 344 S C 1.776 176.464 174.600 0.146 0.000 0.997 344 S CA 0.698 58.986 58.200 0.147 0.000 0.949 344 S CB -0.388 62.938 63.200 0.211 0.000 0.766 344 S HN 0.451 nan 8.310 nan 0.000 0.517 345 I N 1.717 122.342 120.570 0.092 0.000 2.867 345 I HA 0.051 4.221 4.170 -0.000 0.000 0.265 345 I C 1.249 177.373 176.117 0.012 0.000 1.162 345 I CA 0.545 61.872 61.300 0.044 0.000 1.471 345 I CB -0.354 37.595 38.000 -0.084 0.000 1.123 345 I HN 0.388 nan 8.210 nan 0.000 0.440 346 T N -2.347 112.204 114.554 -0.007 0.000 2.874 346 T HA 0.147 4.497 4.350 -0.000 0.000 0.281 346 T C 0.595 175.293 174.700 -0.004 0.000 0.994 346 T CA -0.586 61.502 62.100 -0.020 0.000 1.015 346 T CB 1.313 70.151 68.868 -0.051 0.000 1.028 346 T HN 0.024 nan 8.240 nan 0.000 0.523 347 D N 0.465 120.859 120.400 -0.011 0.000 2.349 347 D HA 0.269 4.908 4.640 -0.000 0.000 0.224 347 D C 0.976 177.272 176.300 -0.007 0.000 1.029 347 D CA 0.631 54.629 54.000 -0.003 0.000 0.879 347 D CB 0.101 40.897 40.800 -0.006 0.000 0.906 347 D HN 0.900 nan 8.370 nan 0.000 0.528 348 G N 0.071 108.857 108.800 -0.024 0.000 2.328 348 G HA2 0.294 4.254 3.960 -0.000 0.000 0.299 348 G HA3 0.294 4.254 3.960 -0.000 0.000 0.299 348 G C -1.929 172.911 174.900 -0.101 0.000 1.435 348 G CA -0.843 44.238 45.100 -0.032 0.000 0.865 348 G HN -0.053 nan 8.290 nan 0.000 0.601 349 Q N -0.860 118.845 119.800 -0.159 0.000 2.345 349 Q HA 0.684 5.024 4.340 -0.000 0.000 0.275 349 Q C -0.669 175.104 176.000 -0.379 0.000 1.063 349 Q CA -0.475 55.089 55.803 -0.398 0.000 0.819 349 Q CB 2.746 30.979 28.738 -0.841 0.000 1.356 349 Q HN 0.595 nan 8.270 nan 0.000 0.418 350 I N 2.579 122.930 120.570 -0.366 0.000 2.330 350 I HA 0.344 4.514 4.170 -0.000 0.000 0.286 350 I C -0.905 175.064 176.117 -0.247 0.000 1.025 350 I CA -0.433 60.751 61.300 -0.193 0.000 1.197 350 I CB 0.400 38.339 38.000 -0.102 0.000 1.358 350 I HN 0.461 nan 8.210 nan 0.000 0.467 351 F N 6.881 126.834 119.950 0.004 0.000 2.390 351 F HA 0.395 4.922 4.527 -0.000 0.000 0.361 351 F C 0.226 176.032 175.800 0.009 0.000 1.124 351 F CA -0.269 57.735 58.000 0.006 0.000 1.149 351 F CB 0.572 39.577 39.000 0.008 0.000 1.160 351 F HN 0.212 nan 8.300 nan 0.000 0.501 352 L N 3.873 125.183 121.223 0.145 0.000 2.343 352 L HA 0.530 4.870 4.340 -0.000 0.000 0.275 352 L C -0.304 176.624 176.870 0.098 0.000 1.056 352 L CA -0.549 54.349 54.840 0.097 0.000 0.804 352 L CB 1.456 43.540 42.059 0.041 0.000 1.203 352 L HN 0.546 nan 8.230 nan 0.000 0.440 353 E N 0.293 120.546 120.200 0.087 0.000 2.308 353 E HA 0.221 4.571 4.350 -0.000 0.000 0.275 353 E C -0.192 176.458 176.600 0.083 0.000 0.890 353 E CA -0.443 56.004 56.400 0.078 0.000 0.754 353 E CB 2.247 31.996 29.700 0.081 0.000 1.207 353 E HN 0.584 nan 8.360 nan 0.000 0.426 354 T N 1.127 115.721 114.554 0.067 0.000 2.622 354 T HA -0.251 4.099 4.350 -0.000 0.000 0.266 354 T C 1.600 176.418 174.700 0.196 0.000 1.047 354 T CA 1.723 63.883 62.100 0.100 0.000 1.159 354 T CB -0.098 68.856 68.868 0.143 0.000 0.863 354 T HN 0.649 nan 8.240 nan 0.000 0.422 355 E N 1.018 121.320 120.200 0.171 0.000 2.086 355 E HA -0.197 4.153 4.350 -0.000 0.000 0.200 355 E C 2.185 178.876 176.600 0.151 0.000 1.012 355 E CA 1.263 57.764 56.400 0.169 0.000 0.812 355 E CB -0.354 29.412 29.700 0.111 0.000 0.743 355 E HN 0.472 nan 8.360 nan 0.000 0.453 356 L N -0.192 121.103 121.223 0.120 0.000 1.989 356 L HA -0.176 4.164 4.340 -0.000 0.000 0.211 356 L C 2.534 179.454 176.870 0.084 0.000 1.071 356 L CA 1.495 56.392 54.840 0.095 0.000 0.749 356 L CB -0.713 41.398 42.059 0.086 0.000 0.890 356 L HN 0.221 nan 8.230 nan 0.000 0.431 357 F N 0.395 120.295 119.950 -0.083 0.000 2.015 357 F HA -0.356 4.171 4.527 -0.000 0.000 0.297 357 F C 2.476 178.145 175.800 -0.217 0.000 1.141 357 F CA 1.919 59.791 58.000 -0.212 0.000 1.192 357 F CB -0.626 38.141 39.000 -0.388 0.000 0.957 357 F HN -0.060 nan 8.300 nan 0.000 0.491 358 Y N 0.140 120.596 120.300 0.261 0.000 2.465 358 Y HA -0.155 4.395 4.550 -0.000 0.000 0.289 358 Y C 2.169 178.089 175.900 0.033 0.000 1.150 358 Y CA 1.309 59.484 58.100 0.126 0.000 1.293 358 Y CB -0.824 37.734 38.460 0.163 0.000 0.977 358 Y HN 0.119 nan 8.280 nan 0.000 0.556 359 K N -0.855 119.624 120.400 0.131 0.000 2.487 359 K HA 0.135 4.455 4.320 -0.000 0.000 0.192 359 K C 1.364 177.976 176.600 0.020 0.000 1.027 359 K CA 0.658 56.994 56.287 0.082 0.000 1.054 359 K CB -0.054 32.492 32.500 0.076 0.000 0.824 359 K HN 0.439 nan 8.250 nan 0.000 0.510 360 G N 0.881 109.649 108.800 -0.052 0.000 2.201 360 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.212 360 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.212 360 G C 0.030 174.859 174.900 -0.118 0.000 0.994 360 G CA -0.510 44.534 45.100 -0.094 0.000 0.644 360 G HN 0.118 nan 8.290 nan 0.000 0.508 361 I N 1.624 122.138 120.570 -0.093 0.000 2.347 361 I HA 0.466 4.636 4.170 -0.000 0.000 0.294 361 I C 0.546 176.589 176.117 -0.123 0.000 1.090 361 I CA 0.133 61.394 61.300 -0.065 0.000 1.314 361 I CB 0.430 38.428 38.000 -0.003 0.000 1.423 361 I HN 0.092 nan 8.210 nan 0.000 0.503 362 R N 7.799 128.218 120.500 -0.135 0.000 2.483 362 R HA 0.435 4.775 4.340 -0.000 0.000 0.303 362 R C -2.564 173.700 176.300 -0.060 0.000 0.987 362 R CA -1.467 54.544 56.100 -0.149 0.000 0.881 362 R CB 2.035 32.160 30.300 -0.290 0.000 1.177 362 R HN 0.320 nan 8.270 nan 0.000 0.451 363 P HA 0.040 nan 4.420 nan 0.000 0.271 363 P C -0.160 177.174 177.300 0.056 0.000 1.216 363 P CA -0.170 62.950 63.100 0.032 0.000 0.776 363 P CB 1.253 32.967 31.700 0.022 0.000 0.881 364 A N 4.150 127.048 122.820 0.129 0.000 2.207 364 A HA -0.009 4.311 4.320 -0.000 0.000 0.205 364 A C 1.070 178.711 177.584 0.094 0.000 1.310 364 A CA -0.021 52.097 52.037 0.135 0.000 0.926 364 A CB -1.470 17.661 19.000 0.218 0.000 0.778 364 A HN 0.522 nan 8.150 nan 0.000 0.497 365 I N 1.207 121.820 120.570 0.072 0.000 2.662 365 I HA -0.074 4.096 4.170 -0.000 0.000 0.285 365 I C 0.659 176.827 176.117 0.085 0.000 1.161 365 I CA -0.055 61.289 61.300 0.074 0.000 1.415 365 I CB 0.168 38.199 38.000 0.053 0.000 1.385 365 I HN 0.281 nan 8.210 nan 0.000 0.552 366 N N 7.077 125.846 118.700 0.115 0.000 2.448 366 N HA 0.041 4.781 4.740 -0.000 0.000 0.250 366 N C 0.737 176.308 175.510 0.102 0.000 1.136 366 N CA 0.073 53.183 53.050 0.100 0.000 0.953 366 N CB 1.301 39.848 38.487 0.101 0.000 1.251 366 N HN 0.473 nan 8.380 nan 0.000 0.502 367 V N 3.957 123.915 119.914 0.074 0.000 2.392 367 V HA -0.192 3.928 4.120 -0.000 0.000 0.249 367 V C 2.240 178.371 176.094 0.063 0.000 1.059 367 V CA 2.391 64.731 62.300 0.068 0.000 1.051 367 V CB -0.722 31.134 31.823 0.055 0.000 0.658 367 V HN 0.788 nan 8.190 nan 0.000 0.455 368 G N -0.670 108.156 108.800 0.043 0.000 2.440 368 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 368 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 368 G C 1.433 176.349 174.900 0.026 0.000 1.154 368 G CA 0.982 46.094 45.100 0.021 0.000 0.767 368 G HN 0.521 nan 8.290 nan 0.000 0.552 369 L N 0.942 122.185 121.223 0.033 0.000 2.567 369 L HA 0.239 4.579 4.340 -0.000 0.000 0.225 369 L C 1.002 178.046 176.870 0.290 0.000 1.119 369 L CA -0.239 54.616 54.840 0.024 0.000 0.871 369 L CB 0.327 42.235 42.059 -0.251 0.000 1.036 369 L HN -0.009 nan 8.230 nan 0.000 0.459 370 S N -0.236 115.639 115.700 0.292 0.000 2.592 370 S HA 0.532 5.002 4.470 -0.000 0.000 0.271 370 S C -0.112 174.586 174.600 0.163 0.000 1.326 370 S CA -0.513 57.858 58.200 0.284 0.000 1.024 370 S CB 1.694 64.987 63.200 0.155 0.000 0.921 370 S HN -0.004 nan 8.310 nan 0.000 0.527 371 V N 0.074 120.049 119.914 0.101 0.000 3.159 371 V HA 0.807 4.927 4.120 -0.000 0.000 0.308 371 V C -0.502 175.605 176.094 0.023 0.000 1.190 371 V CA -0.860 61.481 62.300 0.067 0.000 1.037 371 V CB 2.035 33.910 31.823 0.086 0.000 1.060 371 V HN 0.718 nan 8.190 nan 0.000 0.437 372 S N 0.023 115.735 115.700 0.020 0.000 2.721 372 S HA 0.431 4.901 4.470 -0.000 0.000 0.264 372 S C 0.623 175.229 174.600 0.010 0.000 1.161 372 S CA -0.627 57.576 58.200 0.005 0.000 1.113 372 S CB 1.089 64.288 63.200 -0.002 0.000 1.079 372 S HN 0.753 nan 8.310 nan 0.000 0.479 373 R N 2.106 122.612 120.500 0.010 0.000 2.083 373 R HA -0.075 4.265 4.340 -0.000 0.000 0.237 373 R C 1.875 178.179 176.300 0.007 0.000 1.137 373 R CA 1.811 57.919 56.100 0.013 0.000 0.951 373 R CB -0.498 29.811 30.300 0.015 0.000 0.851 373 R HN 0.565 nan 8.270 nan 0.000 0.434 374 V N 0.537 120.452 119.914 0.002 0.000 2.380 374 V HA -0.224 3.896 4.120 -0.000 0.000 0.251 374 V C 1.743 177.836 176.094 -0.002 0.000 1.063 374 V CA 1.733 64.032 62.300 -0.002 0.000 1.055 374 V CB -1.299 30.519 31.823 -0.008 0.000 0.657 374 V HN 0.770 nan 8.190 nan 0.000 0.455 375 G N -0.024 108.775 108.800 -0.001 0.000 2.594 375 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.297 375 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.297 375 G C 0.991 175.889 174.900 -0.004 0.000 1.273 375 G CA 0.584 45.684 45.100 0.000 0.000 0.974 375 G HN 0.412 nan 8.290 nan 0.000 0.552 376 S N 0.572 116.271 115.700 -0.002 0.000 2.440 376 S HA -0.037 4.433 4.470 -0.000 0.000 0.240 376 S C 2.694 177.289 174.600 -0.007 0.000 1.014 376 S CA 1.956 60.154 58.200 -0.004 0.000 0.980 376 S CB -0.600 62.600 63.200 -0.000 0.000 0.775 376 S HN 1.673 nan 8.310 nan 0.000 0.499 377 A N 0.407 123.223 122.820 -0.007 0.000 2.245 377 A HA 0.159 4.479 4.320 -0.000 0.000 0.217 377 A C 1.831 179.405 177.584 -0.017 0.000 1.171 377 A CA 1.498 53.529 52.037 -0.009 0.000 0.688 377 A CB -0.438 18.558 19.000 -0.006 0.000 0.781 377 A HN 0.539 nan 8.150 nan 0.000 0.479 378 A N -1.842 120.966 122.820 -0.021 0.000 2.508 378 A HA 0.349 4.669 4.320 -0.000 0.000 0.250 378 A C 0.759 178.322 177.584 -0.034 0.000 1.208 378 A CA -0.255 51.763 52.037 -0.033 0.000 0.960 378 A CB 0.189 19.168 19.000 -0.034 0.000 1.099 378 A HN 0.532 nan 8.150 nan 0.000 0.542 379 Q N 0.634 120.421 119.800 -0.023 0.000 2.256 379 Q HA 0.442 4.782 4.340 -0.000 0.000 0.232 379 Q C -0.352 175.636 176.000 -0.020 0.000 0.965 379 Q CA -0.278 55.514 55.803 -0.019 0.000 0.908 379 Q CB 1.062 29.795 28.738 -0.008 0.000 1.209 379 Q HN 0.434 nan 8.270 nan 0.000 0.489 380 T N -0.812 113.733 114.554 -0.016 0.000 2.902 380 T HA 0.222 4.572 4.350 -0.000 0.000 0.280 380 T C 0.817 175.514 174.700 -0.005 0.000 0.992 380 T CA -0.806 61.285 62.100 -0.015 0.000 1.015 380 T CB 1.270 70.130 68.868 -0.013 0.000 1.044 380 T HN 0.614 nan 8.240 nan 0.000 0.520 381 R N 0.373 120.871 120.500 -0.004 0.000 2.152 381 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 381 R C 2.333 178.638 176.300 0.008 0.000 1.117 381 R CA 1.224 57.325 56.100 0.002 0.000 0.981 381 R CB -0.720 29.581 30.300 0.002 0.000 0.870 381 R HN 0.799 nan 8.270 nan 0.000 0.451 382 A N 0.968 123.792 122.820 0.007 0.000 1.845 382 A HA -0.239 4.081 4.320 -0.000 0.000 0.215 382 A C 2.073 179.670 177.584 0.021 0.000 1.195 382 A CA 1.652 53.697 52.037 0.012 0.000 0.616 382 A CB -0.595 18.409 19.000 0.006 0.000 0.832 382 A HN 0.418 nan 8.150 nan 0.000 0.443 383 M N 0.192 119.802 119.600 0.017 0.000 2.065 383 M HA -0.154 4.326 4.480 -0.000 0.000 0.259 383 M C 1.866 178.179 176.300 0.022 0.000 1.069 383 M CA 2.053 57.366 55.300 0.021 0.000 1.110 383 M CB -0.577 32.031 32.600 0.013 0.000 1.328 383 M HN 0.387 nan 8.290 nan 0.000 0.405 384 K N -0.575 119.834 120.400 0.015 0.000 2.074 384 K HA -0.275 4.045 4.320 -0.000 0.000 0.209 384 K C 2.169 178.782 176.600 0.020 0.000 1.048 384 K CA 2.050 58.345 56.287 0.014 0.000 0.926 384 K CB -0.476 32.029 32.500 0.009 0.000 0.713 384 K HN 0.579 nan 8.250 nan 0.000 0.444 385 Q N 0.582 120.398 119.800 0.027 0.000 2.248 385 Q HA -0.187 4.153 4.340 -0.000 0.000 0.208 385 Q C 1.739 177.768 176.000 0.048 0.000 0.984 385 Q CA 1.758 57.584 55.803 0.038 0.000 0.875 385 Q CB 0.174 28.940 28.738 0.045 0.000 0.910 385 Q HN 0.331 nan 8.270 nan 0.000 0.433 386 V N -4.377 115.566 119.914 0.048 0.000 2.854 386 V HA 0.269 4.389 4.120 -0.000 0.000 0.236 386 V C 2.085 178.194 176.094 0.026 0.000 1.157 386 V CA 0.568 62.898 62.300 0.050 0.000 1.187 386 V CB -1.135 30.738 31.823 0.083 0.000 0.949 386 V HN 0.196 nan 8.190 nan 0.000 0.488 387 A N 1.944 124.778 122.820 0.024 0.000 1.940 387 A HA -0.178 4.142 4.320 -0.000 0.000 0.221 387 A C 2.329 179.919 177.584 0.009 0.000 1.190 387 A CA 2.866 54.912 52.037 0.015 0.000 0.647 387 A CB -1.586 17.423 19.000 0.014 0.000 0.821 387 A HN 0.759 nan 8.150 nan 0.000 0.457 388 G N -0.859 107.947 108.800 0.009 0.000 2.446 388 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.217 388 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.217 388 G C 1.724 176.623 174.900 -0.002 0.000 1.168 388 G CA 2.213 47.315 45.100 0.004 0.000 0.771 388 G HN 0.750 nan 8.290 nan 0.000 0.551 389 T N -1.513 113.037 114.554 -0.008 0.000 2.985 389 T HA 0.088 4.438 4.350 -0.000 0.000 0.266 389 T C 2.289 176.975 174.700 -0.024 0.000 1.076 389 T CA 1.128 63.216 62.100 -0.020 0.000 1.135 389 T CB -0.105 68.743 68.868 -0.034 0.000 0.890 389 T HN 0.201 nan 8.240 nan 0.000 0.480 390 M N 1.215 120.804 119.600 -0.019 0.000 2.067 390 M HA -0.073 4.407 4.480 -0.000 0.000 0.260 390 M C 2.562 178.857 176.300 -0.008 0.000 1.069 390 M CA 1.793 57.080 55.300 -0.020 0.000 1.117 390 M CB -0.294 32.298 32.600 -0.012 0.000 1.334 390 M HN 0.206 nan 8.290 nan 0.000 0.407 391 K N 0.167 120.568 120.400 0.001 0.000 2.089 391 K HA -0.250 4.070 4.320 -0.000 0.000 0.210 391 K C 1.856 178.461 176.600 0.009 0.000 1.048 391 K CA 1.703 57.995 56.287 0.009 0.000 0.926 391 K CB -0.296 32.210 32.500 0.010 0.000 0.714 391 K HN 0.327 nan 8.250 nan 0.000 0.448 392 L N 1.657 122.881 121.223 0.001 0.000 2.072 392 L HA -0.115 4.225 4.340 -0.000 0.000 0.205 392 L C 2.008 178.879 176.870 0.002 0.000 1.079 392 L CA 1.620 56.461 54.840 0.000 0.000 0.752 392 L CB -0.183 41.872 42.059 -0.006 0.000 0.906 392 L HN 0.231 nan 8.230 nan 0.000 0.436 393 E N -0.679 119.517 120.200 -0.007 0.000 2.107 393 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 393 E C 2.311 178.929 176.600 0.029 0.000 0.982 393 E CA 1.050 57.446 56.400 -0.007 0.000 0.809 393 E CB -0.365 29.309 29.700 -0.043 0.000 0.756 393 E HN 0.481 nan 8.360 nan 0.000 0.459 394 L N 1.244 122.486 121.223 0.032 0.000 1.970 394 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 394 L C 2.794 179.730 176.870 0.111 0.000 1.071 394 L CA 1.296 56.191 54.840 0.091 0.000 0.751 394 L CB -0.681 41.417 42.059 0.065 0.000 0.889 394 L HN 0.149 nan 8.230 nan 0.000 0.432 395 A N -0.563 122.288 122.820 0.052 0.000 1.927 395 A HA -0.312 4.008 4.320 -0.000 0.000 0.220 395 A C 2.169 179.764 177.584 0.019 0.000 1.185 395 A CA 2.038 54.090 52.037 0.025 0.000 0.639 395 A CB -0.603 18.403 19.000 0.011 0.000 0.820 395 A HN 0.559 nan 8.150 nan 0.000 0.451 396 Q N -2.332 117.489 119.800 0.036 0.000 2.079 396 Q HA -0.187 4.153 4.340 -0.000 0.000 0.200 396 Q C 2.066 178.103 176.000 0.063 0.000 0.974 396 Q CA 1.665 57.487 55.803 0.031 0.000 0.840 396 Q CB -0.346 28.408 28.738 0.027 0.000 0.898 396 Q HN 0.856 nan 8.270 nan 0.000 0.430 397 Y N 1.595 121.863 120.300 -0.054 0.000 2.114 397 Y HA -0.199 4.351 4.550 -0.000 0.000 0.284 397 Y C 2.114 177.964 175.900 -0.082 0.000 1.143 397 Y CA 1.556 59.620 58.100 -0.060 0.000 1.135 397 Y CB -0.256 38.177 38.460 -0.045 0.000 0.980 397 Y HN -0.118 nan 8.280 nan 0.000 0.499 398 R N 0.349 120.771 120.500 -0.131 0.000 2.153 398 R HA -0.233 4.106 4.340 -0.000 0.000 0.252 398 R C 2.258 178.396 176.300 -0.270 0.000 1.158 398 R CA 1.951 57.892 56.100 -0.265 0.000 0.975 398 R CB -0.295 29.935 30.300 -0.117 0.000 0.871 398 R HN 0.558 nan 8.270 nan 0.000 0.450 399 E N -0.421 119.662 120.200 -0.195 0.000 2.077 399 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 399 E C 1.855 178.217 176.600 -0.398 0.000 0.989 399 E CA 1.499 57.765 56.400 -0.224 0.000 0.800 399 E CB 0.162 29.780 29.700 -0.137 0.000 0.746 399 E HN 0.174 nan 8.360 nan 0.000 0.452 400 V N 0.690 120.370 119.914 -0.390 0.000 2.992 400 V HA -0.035 4.085 4.120 -0.000 0.000 0.250 400 V C 2.175 177.941 176.094 -0.545 0.000 1.090 400 V CA 0.890 62.850 62.300 -0.566 0.000 1.101 400 V CB -0.170 31.523 31.823 -0.216 0.000 0.743 400 V HN 0.236 nan 8.190 nan 0.000 0.468 401 A N 1.267 123.779 122.820 -0.514 0.000 1.920 401 A HA -0.423 3.897 4.320 -0.000 0.000 0.229 401 A C 2.422 179.874 177.584 -0.220 0.000 1.516 401 A CA 3.204 54.928 52.037 -0.521 0.000 0.714 401 A CB -1.268 17.270 19.000 -0.771 0.000 0.845 401 A HN 0.734 nan 8.150 nan 0.000 0.493 402 A N -1.852 120.830 122.820 -0.230 0.000 1.986 402 A HA -0.058 4.262 4.320 -0.000 0.000 0.220 402 A C 1.920 179.639 177.584 0.225 0.000 1.171 402 A CA 1.938 53.960 52.037 -0.025 0.000 0.640 402 A CB -0.742 18.231 19.000 -0.045 0.000 0.811 402 A HN 0.545 nan 8.150 nan 0.000 0.451 403 F N 0.033 120.001 119.950 0.029 0.000 2.171 403 F HA -0.050 4.477 4.527 -0.000 0.000 0.300 403 F C 2.736 178.615 175.800 0.132 0.000 1.090 403 F CA -0.038 58.008 58.000 0.077 0.000 1.293 403 F CB -1.498 37.530 39.000 0.046 0.000 1.013 403 F HN 0.321 nan 8.300 nan 0.000 0.486 404 A N 0.548 123.549 122.820 0.302 0.000 1.901 404 A HA -0.377 3.942 4.320 -0.000 0.000 0.227 404 A C 2.019 179.701 177.584 0.163 0.000 1.551 404 A CA 2.574 54.734 52.037 0.204 0.000 0.769 404 A CB -1.458 17.640 19.000 0.163 0.000 0.845 404 A HN 0.472 nan 8.150 nan 0.000 0.481 405 Q N -2.018 117.869 119.800 0.145 0.000 2.592 405 Q HA -0.137 4.203 4.340 -0.000 0.000 0.219 405 Q C 0.272 176.120 176.000 -0.253 0.000 0.984 405 Q CA 1.289 57.087 55.803 -0.009 0.000 0.911 405 Q CB -0.271 28.487 28.738 0.033 0.000 0.962 405 Q HN 0.762 nan 8.270 nan 0.000 0.532 406 F N -3.006 116.978 119.950 0.057 0.000 2.960 406 F HA 0.250 4.777 4.527 -0.000 0.000 0.345 406 F C 1.229 177.036 175.800 0.012 0.000 1.147 406 F CA -0.511 57.505 58.000 0.027 0.000 1.099 406 F CB 0.804 39.814 39.000 0.017 0.000 1.219 406 F HN -0.123 nan 8.300 nan 0.000 0.525 407 G N 0.314 109.204 108.800 0.151 0.000 3.084 407 G HA2 0.034 3.994 3.960 -0.000 0.000 0.254 407 G HA3 0.034 3.994 3.960 -0.000 0.000 0.254 407 G C 0.899 175.830 174.900 0.052 0.000 0.834 407 G CA 0.384 45.544 45.100 0.100 0.000 1.999 407 G HN 0.228 nan 8.290 nan 0.000 0.611 408 S N -0.228 115.499 115.700 0.045 0.000 2.537 408 S HA -0.032 4.438 4.470 -0.000 0.000 0.240 408 S C 0.651 175.261 174.600 0.016 0.000 0.981 408 S CA 0.896 59.110 58.200 0.024 0.000 0.948 408 S CB 0.137 63.355 63.200 0.030 0.000 0.759 408 S HN 0.605 nan 8.310 nan 0.000 0.531 409 D N 0.041 120.451 120.400 0.016 0.000 3.491 409 D HA 0.191 4.831 4.640 -0.000 0.000 0.240 409 D C -1.068 175.237 176.300 0.009 0.000 1.487 409 D CA -0.074 53.931 54.000 0.009 0.000 0.936 409 D CB -0.007 40.794 40.800 0.002 0.000 1.451 409 D HN 0.070 nan 8.370 nan 0.000 0.678 410 L N 1.273 122.509 121.223 0.022 0.000 2.357 410 L HA 0.457 4.797 4.340 -0.000 0.000 0.273 410 L C 0.628 177.515 176.870 0.028 0.000 1.080 410 L CA -1.012 53.847 54.840 0.032 0.000 0.803 410 L CB 0.805 42.900 42.059 0.060 0.000 1.174 410 L HN 0.289 nan 8.230 nan 0.000 0.443 411 D N 1.010 121.428 120.400 0.029 0.000 2.382 411 D HA 0.159 4.799 4.640 -0.000 0.000 0.240 411 D C 0.739 177.056 176.300 0.028 0.000 1.146 411 D CA -0.245 53.770 54.000 0.024 0.000 0.897 411 D CB 1.105 41.920 40.800 0.025 0.000 1.197 411 D HN 0.579 nan 8.370 nan 0.000 0.432 412 A N 1.300 124.131 122.820 0.019 0.000 2.235 412 A HA 0.245 4.565 4.320 -0.000 0.000 0.208 412 A C 2.000 179.595 177.584 0.017 0.000 1.172 412 A CA 0.922 52.969 52.037 0.017 0.000 0.786 412 A CB -0.909 18.095 19.000 0.007 0.000 0.804 412 A HN 0.671 nan 8.150 nan 0.000 0.479 413 A N 0.247 123.080 122.820 0.022 0.000 1.832 413 A HA -0.109 4.211 4.320 -0.000 0.000 0.214 413 A C 2.506 180.109 177.584 0.032 0.000 1.200 413 A CA 2.452 54.502 52.037 0.021 0.000 0.610 413 A CB -1.416 17.598 19.000 0.023 0.000 0.842 413 A HN 0.765 nan 8.150 nan 0.000 0.444 414 T N -2.260 112.325 114.554 0.052 0.000 2.867 414 T HA -0.195 4.154 4.350 -0.000 0.000 0.268 414 T C 1.931 176.679 174.700 0.079 0.000 1.057 414 T CA 1.607 63.752 62.100 0.076 0.000 1.136 414 T CB -0.461 68.478 68.868 0.119 0.000 0.874 414 T HN 0.535 nan 8.240 nan 0.000 0.466 415 Q N 0.207 120.047 119.800 0.067 0.000 2.297 415 Q HA -0.232 4.108 4.340 -0.000 0.000 0.208 415 Q C 2.387 178.408 176.000 0.036 0.000 0.981 415 Q CA 1.658 57.497 55.803 0.060 0.000 0.876 415 Q CB -0.160 28.605 28.738 0.044 0.000 0.921 415 Q HN 0.664 nan 8.270 nan 0.000 0.446 416 Q N 0.792 120.605 119.800 0.021 0.000 1.994 416 Q HA -0.142 4.197 4.340 -0.000 0.000 0.198 416 Q C 2.155 178.151 176.000 -0.006 0.000 0.976 416 Q CA 2.006 57.806 55.803 -0.004 0.000 0.828 416 Q CB -0.558 28.171 28.738 -0.015 0.000 0.894 416 Q HN 0.565 nan 8.270 nan 0.000 0.432 417 L N -0.899 120.334 121.223 0.017 0.000 2.189 417 L HA -0.146 4.194 4.340 -0.000 0.000 0.214 417 L C 1.935 178.843 176.870 0.064 0.000 1.097 417 L CA 0.632 55.490 54.840 0.030 0.000 0.764 417 L CB -0.952 41.138 42.059 0.052 0.000 0.900 417 L HN 0.169 nan 8.230 nan 0.000 0.436 418 L N 0.358 121.640 121.223 0.098 0.000 2.017 418 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 418 L C 2.830 179.684 176.870 -0.027 0.000 1.073 418 L CA 1.701 56.633 54.840 0.153 0.000 0.745 418 L CB -1.571 40.582 42.059 0.157 0.000 0.894 418 L HN 0.286 nan 8.230 nan 0.000 0.432 419 S N -0.712 114.960 115.700 -0.047 0.000 2.351 419 S HA -0.203 4.267 4.470 -0.000 0.000 0.220 419 S C 2.096 176.586 174.600 -0.184 0.000 1.035 419 S CA 1.077 59.215 58.200 -0.102 0.000 1.031 419 S CB -0.147 63.009 63.200 -0.072 0.000 0.928 419 S HN 0.231 nan 8.310 nan 0.000 0.433 420 R N 1.386 121.783 120.500 -0.171 0.000 2.103 420 R HA -0.063 4.277 4.340 -0.000 0.000 0.242 420 R C 2.305 178.409 176.300 -0.326 0.000 1.142 420 R CA 1.691 57.670 56.100 -0.201 0.000 0.960 420 R CB -1.534 28.678 30.300 -0.145 0.000 0.858 420 R HN 0.461 nan 8.270 nan 0.000 0.439 421 G N -0.130 108.359 108.800 -0.518 0.000 2.514 421 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 421 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 421 G C 1.481 175.763 174.900 -1.031 0.000 1.198 421 G CA 1.920 46.315 45.100 -1.175 0.000 0.780 421 G HN 0.365 nan 8.290 nan 0.000 0.565 422 V N -0.825 118.635 119.914 -0.757 0.000 2.490 422 V HA -0.041 4.079 4.120 -0.000 0.000 0.250 422 V C 2.688 178.652 176.094 -0.217 0.000 1.061 422 V CA 2.301 64.395 62.300 -0.343 0.000 1.064 422 V CB -0.591 31.137 31.823 -0.159 0.000 0.670 422 V HN 0.213 nan 8.190 nan 0.000 0.461 423 R N 0.360 120.726 120.500 -0.224 0.000 2.062 423 R HA 0.247 4.587 4.340 -0.000 0.000 0.229 423 R C 2.329 178.536 176.300 -0.156 0.000 1.128 423 R CA 1.737 57.734 56.100 -0.171 0.000 0.960 423 R CB -0.853 29.339 30.300 -0.181 0.000 0.855 423 R HN 0.514 nan 8.270 nan 0.000 0.432 424 L N -0.123 120.991 121.223 -0.181 0.000 2.079 424 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 424 L C 2.022 178.838 176.870 -0.090 0.000 1.081 424 L CA 1.587 56.349 54.840 -0.129 0.000 0.752 424 L CB -0.733 41.251 42.059 -0.126 0.000 0.896 424 L HN 0.292 nan 8.230 nan 0.000 0.433 425 T N -1.050 113.439 114.554 -0.108 0.000 2.746 425 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 425 T C 1.747 176.430 174.700 -0.029 0.000 1.039 425 T CA 1.078 63.153 62.100 -0.042 0.000 1.142 425 T CB -0.117 68.739 68.868 -0.020 0.000 0.866 425 T HN 0.297 nan 8.240 nan 0.000 0.444 426 E N 0.880 121.051 120.200 -0.048 0.000 2.268 426 E HA 0.048 4.398 4.350 -0.000 0.000 0.195 426 E C 2.118 178.705 176.600 -0.020 0.000 0.995 426 E CA 0.465 56.847 56.400 -0.030 0.000 0.836 426 E CB -0.187 29.490 29.700 -0.038 0.000 0.763 426 E HN 0.488 nan 8.360 nan 0.000 0.491 427 L N 0.057 121.262 121.223 -0.031 0.000 2.313 427 L HA -0.047 4.293 4.340 -0.000 0.000 0.214 427 L C 2.157 179.028 176.870 0.002 0.000 1.119 427 L CA 0.356 55.189 54.840 -0.012 0.000 0.809 427 L CB -0.137 41.908 42.059 -0.022 0.000 0.933 427 L HN 0.084 nan 8.230 nan 0.000 0.449 428 L N -0.696 120.525 121.223 -0.004 0.000 2.478 428 L HA -0.030 4.309 4.340 -0.000 0.000 0.223 428 L C 1.128 177.999 176.870 0.002 0.000 1.140 428 L CA 0.358 55.201 54.840 0.004 0.000 0.842 428 L CB -0.323 41.741 42.059 0.008 0.000 0.953 428 L HN 0.096 nan 8.230 nan 0.000 0.452 429 K N 0.684 121.083 120.400 -0.002 0.000 2.286 429 K HA 0.231 4.551 4.320 -0.000 0.000 0.256 429 K C -0.149 176.446 176.600 -0.008 0.000 0.999 429 K CA 0.371 56.651 56.287 -0.011 0.000 0.908 429 K CB 0.446 32.937 32.500 -0.014 0.000 0.981 429 K HN 0.026 nan 8.250 nan 0.000 0.500 430 Q N -0.638 119.150 119.800 -0.019 0.000 2.503 430 Q HA 0.205 4.545 4.340 -0.000 0.000 0.268 430 Q C -0.958 175.025 176.000 -0.029 0.000 0.982 430 Q CA -0.557 55.237 55.803 -0.016 0.000 0.907 430 Q CB 1.906 30.634 28.738 -0.016 0.000 1.467 430 Q HN 0.844 nan 8.270 nan 0.000 0.394 431 G N 1.039 109.830 108.800 -0.016 0.000 2.562 431 G HA2 0.299 4.258 3.960 -0.000 0.000 0.275 431 G HA3 0.299 4.258 3.960 -0.000 0.000 0.275 431 G C -0.438 174.430 174.900 -0.053 0.000 1.196 431 G CA -0.039 45.051 45.100 -0.016 0.000 0.908 431 G HN 0.509 nan 8.290 nan 0.000 0.524 432 Q N -1.481 118.257 119.800 -0.103 0.000 2.316 432 Q HA 0.282 4.622 4.340 -0.000 0.000 0.215 432 Q C -0.116 175.727 176.000 -0.260 0.000 1.020 432 Q CA -0.482 55.110 55.803 -0.352 0.000 0.970 432 Q CB 0.328 28.726 28.738 -0.568 0.000 1.187 432 Q HN 0.572 nan 8.270 nan 0.000 0.546 433 Y N -1.549 118.756 120.300 0.008 0.000 4.469 433 Y HA -0.294 4.256 4.550 -0.000 0.000 0.220 433 Y C -0.133 175.767 175.900 -0.001 0.000 1.078 433 Y CA 0.921 59.022 58.100 0.000 0.000 1.881 433 Y CB -2.481 35.977 38.460 -0.004 0.000 1.608 433 Y HN 0.384 nan 8.280 nan 0.000 0.634 434 S N -1.557 114.174 115.700 0.052 0.000 2.293 434 S HA 0.544 5.014 4.470 -0.000 0.000 0.154 434 S C -2.690 171.915 174.600 0.008 0.000 1.602 434 S CA -1.202 57.021 58.200 0.039 0.000 1.260 434 S CB 1.821 65.048 63.200 0.044 0.000 1.270 434 S HN 0.026 nan 8.310 nan 0.000 0.416 435 P HA 0.344 nan 4.420 nan 0.000 0.281 435 P C -0.042 177.254 177.300 -0.007 0.000 1.252 435 P CA -0.363 62.737 63.100 0.000 0.000 0.778 435 P CB 0.725 32.430 31.700 0.009 0.000 0.895 436 M N 1.116 120.715 119.600 -0.003 0.000 2.528 436 M HA 0.755 5.234 4.480 -0.000 0.000 0.318 436 M C -0.123 176.173 176.300 -0.008 0.000 1.195 436 M CA -1.222 54.071 55.300 -0.011 0.000 1.000 436 M CB 1.526 34.123 32.600 -0.006 0.000 1.615 436 M HN 0.183 nan 8.290 nan 0.000 0.469 437 A N 1.499 124.303 122.820 -0.027 0.000 2.401 437 A HA 0.320 4.640 4.320 -0.000 0.000 0.259 437 A C 0.887 178.476 177.584 0.009 0.000 1.103 437 A CA -0.583 51.441 52.037 -0.021 0.000 0.789 437 A CB 0.038 19.003 19.000 -0.059 0.000 1.035 437 A HN 0.953 nan 8.150 nan 0.000 0.491 438 I N 1.720 122.315 120.570 0.041 0.000 2.229 438 I HA -0.304 3.866 4.170 -0.000 0.000 0.250 438 I C 1.980 178.108 176.117 0.017 0.000 1.096 438 I CA 2.282 63.604 61.300 0.036 0.000 1.358 438 I CB -0.221 37.808 38.000 0.048 0.000 1.047 438 I HN 0.863 nan 8.210 nan 0.000 0.422 439 E N 0.001 120.204 120.200 0.005 0.000 2.110 439 E HA -0.229 4.120 4.350 -0.000 0.000 0.193 439 E C 2.090 178.681 176.600 -0.015 0.000 0.988 439 E CA 1.565 57.958 56.400 -0.012 0.000 0.804 439 E CB -0.308 29.377 29.700 -0.025 0.000 0.745 439 E HN 0.580 nan 8.360 nan 0.000 0.458 440 E N 0.770 120.959 120.200 -0.017 0.000 2.106 440 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 440 E C 2.130 178.744 176.600 0.024 0.000 0.984 440 E CA 1.006 57.397 56.400 -0.015 0.000 0.806 440 E CB -0.010 29.672 29.700 -0.029 0.000 0.750 440 E HN 0.305 nan 8.360 nan 0.000 0.458 441 Q N 0.197 120.012 119.800 0.025 0.000 2.050 441 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 441 Q C 2.604 178.639 176.000 0.058 0.000 0.980 441 Q CA 1.878 57.705 55.803 0.041 0.000 0.840 441 Q CB -0.345 28.413 28.738 0.032 0.000 0.898 441 Q HN 0.354 nan 8.270 nan 0.000 0.424 442 V N -1.117 118.826 119.914 0.048 0.000 2.427 442 V HA -0.146 3.974 4.120 -0.000 0.000 0.248 442 V C 2.138 178.293 176.094 0.101 0.000 1.051 442 V CA 1.741 64.081 62.300 0.067 0.000 1.048 442 V CB -0.973 30.877 31.823 0.045 0.000 0.666 442 V HN 0.296 nan 8.190 nan 0.000 0.456 443 A N 1.199 124.065 122.820 0.077 0.000 1.883 443 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 443 A C 2.572 180.318 177.584 0.269 0.000 1.186 443 A CA 3.087 55.199 52.037 0.126 0.000 0.624 443 A CB -1.167 17.887 19.000 0.089 0.000 0.822 443 A HN 1.286 nan 8.150 nan 0.000 0.444 444 V N -0.988 119.067 119.914 0.236 0.000 2.307 444 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 444 V C 2.142 178.319 176.094 0.138 0.000 1.045 444 V CA 1.937 64.371 62.300 0.223 0.000 1.024 444 V CB -0.826 31.113 31.823 0.195 0.000 0.651 444 V HN 0.442 nan 8.190 nan 0.000 0.449 445 I N 0.016 120.657 120.570 0.117 0.000 2.208 445 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 445 I C 2.617 178.797 176.117 0.105 0.000 1.097 445 I CA 2.641 63.989 61.300 0.080 0.000 1.363 445 I CB -1.505 36.537 38.000 0.069 0.000 1.051 445 I HN 0.581 nan 8.210 nan 0.000 0.413 446 Y N 2.405 122.717 120.300 0.020 0.000 2.114 446 Y HA -0.320 4.230 4.550 -0.000 0.000 0.282 446 Y C 2.664 178.579 175.900 0.024 0.000 1.165 446 Y CA 2.073 60.189 58.100 0.026 0.000 1.148 446 Y CB -0.494 37.997 38.460 0.052 0.000 0.972 446 Y HN 0.129 nan 8.280 nan 0.000 0.504 447 A N 0.269 123.204 122.820 0.192 0.000 1.896 447 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 447 A C 2.462 179.997 177.584 -0.082 0.000 1.206 447 A CA 2.479 54.541 52.037 0.041 0.000 0.647 447 A CB -1.782 17.122 19.000 -0.159 0.000 0.828 447 A HN 0.666 nan 8.150 nan 0.000 0.455 448 G N -1.807 106.915 108.800 -0.131 0.000 2.459 448 G HA2 0.094 4.054 3.960 -0.000 0.000 0.213 448 G HA3 0.094 4.054 3.960 -0.000 0.000 0.213 448 G C 1.495 176.277 174.900 -0.197 0.000 1.155 448 G CA 0.843 45.832 45.100 -0.185 0.000 0.811 448 G HN 0.327 nan 8.290 nan 0.000 0.534 449 V N 0.863 120.680 119.914 -0.162 0.000 2.332 449 V HA -0.131 3.989 4.120 -0.000 0.000 0.248 449 V C 2.917 178.859 176.094 -0.254 0.000 1.055 449 V CA 1.647 63.846 62.300 -0.167 0.000 1.038 449 V CB -0.273 31.487 31.823 -0.104 0.000 0.651 449 V HN 0.196 nan 8.190 nan 0.000 0.450 450 R N -0.415 119.857 120.500 -0.379 0.000 2.235 450 R HA 0.047 4.387 4.340 -0.000 0.000 0.213 450 R C 1.799 177.747 176.300 -0.587 0.000 1.059 450 R CA 0.928 56.706 56.100 -0.536 0.000 0.997 450 R CB -0.589 29.240 30.300 -0.784 0.000 0.884 450 R HN 0.691 nan 8.270 nan 0.000 0.462 451 G N -0.837 107.678 108.800 -0.474 0.000 2.201 451 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.212 451 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.212 451 G C 0.649 175.291 174.900 -0.429 0.000 0.994 451 G CA 0.133 44.978 45.100 -0.424 0.000 0.644 451 G HN 0.271 nan 8.290 nan 0.000 0.508 452 Y N 0.960 121.124 120.300 -0.225 0.000 2.193 452 Y HA -0.007 4.543 4.550 -0.000 0.000 0.285 452 Y C 2.772 178.497 175.900 -0.292 0.000 1.166 452 Y CA 1.916 59.880 58.100 -0.225 0.000 1.181 452 Y CB -0.392 37.937 38.460 -0.218 0.000 0.976 452 Y HN 0.416 nan 8.280 nan 0.000 0.520 453 L N -0.742 120.334 121.223 -0.245 0.000 2.592 453 L HA 0.069 4.408 4.340 -0.000 0.000 0.227 453 L C 0.981 177.719 176.870 -0.220 0.000 1.127 453 L CA 0.098 54.733 54.840 -0.342 0.000 0.884 453 L CB -0.350 41.421 42.059 -0.480 0.000 1.065 453 L HN 0.020 nan 8.230 nan 0.000 0.457 454 D N 1.732 122.023 120.400 -0.180 0.000 2.221 454 D HA -0.161 4.479 4.640 -0.000 0.000 0.204 454 D C 1.746 177.986 176.300 -0.101 0.000 0.982 454 D CA 1.355 55.269 54.000 -0.143 0.000 0.857 454 D CB 0.046 40.761 40.800 -0.141 0.000 0.934 454 D HN 0.379 nan 8.370 nan 0.000 0.475 455 K N -0.545 119.806 120.400 -0.081 0.000 2.367 455 K HA 0.142 4.462 4.320 -0.000 0.000 0.194 455 K C 0.483 177.068 176.600 -0.026 0.000 1.027 455 K CA -0.413 55.849 56.287 -0.041 0.000 1.075 455 K CB 0.551 33.040 32.500 -0.019 0.000 0.845 455 K HN -0.004 nan 8.250 nan 0.000 0.529 456 L N 1.643 122.831 121.223 -0.059 0.000 2.472 456 L HA 0.087 4.427 4.340 -0.000 0.000 0.260 456 L C 0.130 176.989 176.870 -0.019 0.000 1.209 456 L CA 0.211 55.030 54.840 -0.036 0.000 0.817 456 L CB 0.599 42.562 42.059 -0.159 0.000 1.106 456 L HN 0.050 nan 8.230 nan 0.000 0.479 457 E N 3.787 124.008 120.200 0.035 0.000 2.259 457 E HA 0.159 4.509 4.350 -0.000 0.000 0.281 457 E C -1.835 174.775 176.600 0.017 0.000 1.027 457 E CA -1.683 54.737 56.400 0.033 0.000 0.838 457 E CB 1.472 31.212 29.700 0.066 0.000 1.066 457 E HN 0.447 nan 8.360 nan 0.000 0.401 458 P HA -0.245 nan 4.420 nan 0.000 0.218 458 P C 1.365 178.674 177.300 0.015 0.000 1.154 458 P CA 1.730 64.822 63.100 -0.013 0.000 0.872 458 P CB 0.078 31.770 31.700 -0.013 0.000 0.790 459 S N -1.264 114.457 115.700 0.035 0.000 2.440 459 S HA -0.149 4.321 4.470 -0.000 0.000 0.238 459 S C 1.562 176.214 174.600 0.086 0.000 1.010 459 S CA 1.285 59.517 58.200 0.053 0.000 0.972 459 S CB -0.705 62.527 63.200 0.053 0.000 0.774 459 S HN 0.110 nan 8.310 nan 0.000 0.501 460 K N 0.797 121.264 120.400 0.111 0.000 2.352 460 K HA 0.428 4.748 4.320 -0.000 0.000 0.194 460 K C 1.750 178.429 176.600 0.132 0.000 1.038 460 K CA 0.153 56.550 56.287 0.184 0.000 1.023 460 K CB -0.291 32.416 32.500 0.345 0.000 0.840 460 K HN 0.280 nan 8.250 nan 0.000 0.519 461 I N 1.438 122.037 120.570 0.048 0.000 2.185 461 I HA -0.346 3.824 4.170 -0.000 0.000 0.246 461 I C 1.383 177.559 176.117 0.099 0.000 1.088 461 I CA 1.772 63.085 61.300 0.020 0.000 1.347 461 I CB -1.615 36.356 38.000 -0.047 0.000 1.041 461 I HN 0.176 nan 8.210 nan 0.000 0.415 462 T N 0.579 115.182 114.554 0.082 0.000 2.759 462 T HA -0.216 4.134 4.350 -0.000 0.000 0.269 462 T C 1.979 176.746 174.700 0.112 0.000 1.042 462 T CA 1.450 63.600 62.100 0.084 0.000 1.140 462 T CB -0.168 68.737 68.868 0.062 0.000 0.864 462 T HN 0.355 nan 8.240 nan 0.000 0.455 463 K N 0.007 120.494 120.400 0.146 0.000 2.062 463 K HA -0.026 4.294 4.320 -0.000 0.000 0.205 463 K C 2.061 178.747 176.600 0.144 0.000 1.051 463 K CA 0.698 57.094 56.287 0.181 0.000 0.941 463 K CB -0.283 32.390 32.500 0.288 0.000 0.719 463 K HN 0.317 nan 8.250 nan 0.000 0.440 464 F N 2.576 122.468 119.950 -0.097 0.000 2.000 464 F HA -0.304 4.223 4.527 -0.000 0.000 0.296 464 F C 2.399 178.168 175.800 -0.051 0.000 1.159 464 F CA 2.396 60.240 58.000 -0.260 0.000 1.183 464 F CB -0.639 38.125 39.000 -0.392 0.000 0.959 464 F HN 0.180 nan 8.300 nan 0.000 0.490 465 E N 0.241 120.575 120.200 0.223 0.000 2.113 465 E HA -0.401 3.949 4.350 -0.000 0.000 0.210 465 E C 2.223 178.850 176.600 0.046 0.000 1.040 465 E CA 1.751 58.257 56.400 0.177 0.000 0.847 465 E CB -0.611 29.196 29.700 0.178 0.000 0.755 465 E HN 0.488 nan 8.360 nan 0.000 0.459 466 N N 0.154 118.882 118.700 0.046 0.000 2.037 466 N HA -0.217 4.523 4.740 -0.000 0.000 0.196 466 N C 1.673 177.187 175.510 0.006 0.000 1.034 466 N CA 2.040 55.110 53.050 0.033 0.000 0.861 466 N CB -0.358 38.166 38.487 0.061 0.000 1.039 466 N HN 0.296 nan 8.380 nan 0.000 0.427 467 A N -0.222 122.608 122.820 0.017 0.000 1.898 467 A HA -0.041 4.279 4.320 -0.000 0.000 0.214 467 A C 2.167 179.718 177.584 -0.055 0.000 1.183 467 A CA 0.767 52.855 52.037 0.085 0.000 0.622 467 A CB -0.933 18.221 19.000 0.257 0.000 0.824 467 A HN 0.411 nan 8.150 nan 0.000 0.444 468 F N 0.355 119.946 119.950 -0.597 0.000 2.069 468 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 468 F C 1.772 177.286 175.800 -0.477 0.000 1.113 468 F CA 1.901 59.238 58.000 -1.105 0.000 1.214 468 F CB -0.365 37.799 39.000 -1.393 0.000 0.978 468 F HN 0.183 nan 8.300 nan 0.000 0.474 469 L N -0.087 120.898 121.223 -0.396 0.000 2.201 469 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 469 L C 2.320 179.032 176.870 -0.264 0.000 1.105 469 L CA 1.663 56.288 54.840 -0.359 0.000 0.775 469 L CB -0.910 41.084 42.059 -0.108 0.000 0.913 469 L HN 0.142 nan 8.230 nan 0.000 0.440 470 S N -1.689 113.919 115.700 -0.154 0.000 2.387 470 S HA -0.205 4.265 4.470 -0.000 0.000 0.226 470 S C 1.853 176.425 174.600 -0.046 0.000 1.026 470 S CA 1.137 59.300 58.200 -0.063 0.000 0.972 470 S CB -0.463 62.743 63.200 0.010 0.000 0.814 470 S HN 0.670 nan 8.310 nan 0.000 0.477 471 H N 2.073 121.038 119.070 -0.174 0.000 2.270 471 H HA -0.045 4.511 4.556 -0.000 0.000 0.299 471 H C 2.179 177.417 175.328 -0.150 0.000 1.077 471 H CA 2.093 58.076 56.048 -0.110 0.000 1.294 471 H CB -0.698 29.062 29.762 -0.002 0.000 1.371 471 H HN 0.211 nan 8.280 nan 0.000 0.491 472 V N -0.759 118.814 119.914 -0.569 0.000 2.626 472 V HA -0.063 4.057 4.120 -0.000 0.000 0.252 472 V C 2.334 178.265 176.094 -0.272 0.000 1.067 472 V CA 1.814 63.824 62.300 -0.484 0.000 1.081 472 V CB -0.795 30.642 31.823 -0.644 0.000 0.686 472 V HN 0.445 nan 8.190 nan 0.000 0.468 473 I N 0.849 121.277 120.570 -0.237 0.000 2.676 473 I HA -0.113 4.057 4.170 -0.000 0.000 0.259 473 I C 2.627 178.671 176.117 -0.122 0.000 1.194 473 I CA 1.468 62.677 61.300 -0.152 0.000 1.473 473 I CB 0.024 37.950 38.000 -0.123 0.000 1.096 473 I HN 0.558 nan 8.210 nan 0.000 0.443 474 S N -0.078 115.546 115.700 -0.128 0.000 2.357 474 S HA -0.084 4.386 4.470 -0.000 0.000 0.209 474 S C 1.910 176.431 174.600 -0.131 0.000 1.023 474 S CA 0.493 58.638 58.200 -0.092 0.000 0.933 474 S CB -0.095 63.087 63.200 -0.029 0.000 0.897 474 S HN 0.301 nan 8.310 nan 0.000 0.529 475 Q N -0.090 119.591 119.800 -0.198 0.000 2.062 475 Q HA 0.007 4.347 4.340 -0.000 0.000 0.196 475 Q C 0.719 176.438 176.000 -0.469 0.000 0.967 475 Q CA 1.141 56.752 55.803 -0.321 0.000 0.832 475 Q CB -0.301 28.201 28.738 -0.393 0.000 0.899 475 Q HN 0.739 nan 8.270 nan 0.000 0.442 476 H N 0.630 119.532 119.070 -0.280 0.000 2.640 476 H HA 0.158 4.714 4.556 -0.000 0.000 0.312 476 H C 0.882 176.111 175.328 -0.165 0.000 1.110 476 H CA -0.111 55.809 56.048 -0.215 0.000 1.098 476 H CB 0.207 29.814 29.762 -0.259 0.000 1.485 476 H HN 0.150 nan 8.280 nan 0.000 0.526 477 Q N 0.095 119.846 119.800 -0.082 0.000 2.561 477 Q HA -0.053 4.287 4.340 -0.000 0.000 0.217 477 Q C 1.640 177.611 176.000 -0.050 0.000 0.980 477 Q CA 0.789 56.551 55.803 -0.068 0.000 0.927 477 Q CB 0.258 28.952 28.738 -0.074 0.000 0.980 477 Q HN 0.623 nan 8.270 nan 0.000 0.525 478 A N -0.018 122.779 122.820 -0.038 0.000 2.063 478 A HA 0.034 4.354 4.320 -0.000 0.000 0.211 478 A C 1.837 179.412 177.584 -0.015 0.000 1.177 478 A CA -0.041 51.980 52.037 -0.028 0.000 0.759 478 A CB -0.099 18.884 19.000 -0.029 0.000 0.857 478 A HN 0.334 nan 8.150 nan 0.000 0.468 479 L N -0.258 120.966 121.223 0.001 0.000 2.023 479 L HA -0.067 4.272 4.340 -0.000 0.000 0.205 479 L C 2.358 179.202 176.870 -0.044 0.000 1.073 479 L CA 1.278 56.107 54.840 -0.018 0.000 0.745 479 L CB -0.321 41.722 42.059 -0.025 0.000 0.900 479 L HN 0.397 nan 8.230 nan 0.000 0.435 480 L N -0.310 120.882 121.223 -0.052 0.000 2.042 480 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 480 L C 2.629 179.472 176.870 -0.044 0.000 1.076 480 L CA 1.388 56.192 54.840 -0.059 0.000 0.749 480 L CB -1.314 40.703 42.059 -0.070 0.000 0.893 480 L HN 0.385 nan 8.230 nan 0.000 0.432 481 G N -0.194 108.583 108.800 -0.039 0.000 2.450 481 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 481 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 481 G C 1.704 176.588 174.900 -0.026 0.000 1.130 481 G CA 0.665 45.746 45.100 -0.032 0.000 0.760 481 G HN 0.313 nan 8.290 nan 0.000 0.557 482 K N -0.161 120.222 120.400 -0.027 0.000 1.967 482 K HA 0.093 4.413 4.320 -0.000 0.000 0.212 482 K C 2.427 179.012 176.600 -0.026 0.000 1.044 482 K CA 0.904 57.177 56.287 -0.024 0.000 0.942 482 K CB -0.337 32.148 32.500 -0.025 0.000 0.726 482 K HN 0.229 nan 8.250 nan 0.000 0.440 483 I N 1.183 121.731 120.570 -0.036 0.000 2.143 483 I HA -0.421 3.749 4.170 -0.000 0.000 0.245 483 I C 2.755 178.859 176.117 -0.023 0.000 1.068 483 I CA 1.431 62.709 61.300 -0.037 0.000 1.326 483 I CB -0.273 37.695 38.000 -0.053 0.000 1.028 483 I HN 0.266 nan 8.210 nan 0.000 0.412 484 R N 0.212 120.699 120.500 -0.021 0.000 2.147 484 R HA -0.208 4.132 4.340 -0.000 0.000 0.225 484 R C 2.309 178.604 176.300 -0.007 0.000 1.120 484 R CA 2.721 58.815 56.100 -0.010 0.000 0.891 484 R CB -0.735 29.558 30.300 -0.012 0.000 0.822 484 R HN 0.239 nan 8.270 nan 0.000 0.433 485 T N 1.172 115.720 114.554 -0.009 0.000 2.544 485 T HA -0.189 4.161 4.350 -0.000 0.000 0.264 485 T C 1.301 175.996 174.700 -0.008 0.000 1.096 485 T CA 2.153 64.249 62.100 -0.008 0.000 1.181 485 T CB -0.682 68.181 68.868 -0.009 0.000 0.864 485 T HN 0.405 nan 8.240 nan 0.000 0.415 486 D N 0.278 120.673 120.400 -0.009 0.000 2.357 486 D HA 0.020 4.660 4.640 -0.000 0.000 0.216 486 D C 1.657 177.953 176.300 -0.006 0.000 0.973 486 D CA 1.172 55.168 54.000 -0.008 0.000 0.912 486 D CB -0.787 40.008 40.800 -0.009 0.000 0.900 486 D HN 0.610 nan 8.370 nan 0.000 0.501 487 G N 0.312 109.108 108.800 -0.007 0.000 2.205 487 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.269 487 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.269 487 G C 0.464 175.362 174.900 -0.004 0.000 0.977 487 G CA 1.462 46.559 45.100 -0.006 0.000 0.652 487 G HN 0.628 nan 8.290 nan 0.000 0.539 488 K N -1.770 118.628 120.400 -0.004 0.000 2.305 488 K HA 0.784 5.104 4.320 -0.000 0.000 0.268 488 K C -1.059 175.537 176.600 -0.006 0.000 1.034 488 K CA -1.374 54.914 56.287 0.001 0.000 0.879 488 K CB 0.854 33.358 32.500 0.006 0.000 1.506 488 K HN 0.063 nan 8.250 nan 0.000 0.425 489 I N 2.770 123.342 120.570 0.004 0.000 2.307 489 I HA 0.128 4.298 4.170 -0.000 0.000 0.287 489 I C -0.207 175.913 176.117 0.007 0.000 1.054 489 I CA 0.038 61.334 61.300 -0.008 0.000 1.218 489 I CB 1.188 39.185 38.000 -0.005 0.000 1.398 489 I HN 0.694 nan 8.210 nan 0.000 0.475 490 S N 3.686 119.383 115.700 -0.005 0.000 2.576 490 S HA 0.036 4.506 4.470 -0.000 0.000 0.272 490 S C 1.257 175.866 174.600 0.015 0.000 1.352 490 S CA -0.429 57.774 58.200 0.005 0.000 1.021 490 S CB 0.839 64.038 63.200 -0.001 0.000 0.887 490 S HN 0.733 nan 8.310 nan 0.000 0.542 491 E N 0.830 121.043 120.200 0.022 0.000 2.171 491 E HA -0.234 4.116 4.350 -0.000 0.000 0.197 491 E C 1.638 178.257 176.600 0.031 0.000 0.997 491 E CA 1.420 57.840 56.400 0.033 0.000 0.810 491 E CB -0.040 29.677 29.700 0.028 0.000 0.738 491 E HN 0.828 nan 8.360 nan 0.000 0.467 492 E N -0.064 120.147 120.200 0.018 0.000 1.999 492 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 492 E C 2.194 178.797 176.600 0.004 0.000 0.995 492 E CA 1.203 57.611 56.400 0.014 0.000 0.825 492 E CB -0.092 29.612 29.700 0.007 0.000 0.777 492 E HN 0.120 nan 8.360 nan 0.000 0.459 493 S N 1.269 116.960 115.700 -0.015 0.000 2.423 493 S HA -0.212 4.258 4.470 -0.000 0.000 0.238 493 S C 1.532 176.087 174.600 -0.074 0.000 1.028 493 S CA 1.155 59.326 58.200 -0.048 0.000 1.000 493 S CB -0.344 62.819 63.200 -0.062 0.000 0.797 493 S HN 0.314 nan 8.310 nan 0.000 0.487 494 D N 1.394 121.778 120.400 -0.027 0.000 2.084 494 D HA -0.089 4.551 4.640 -0.000 0.000 0.194 494 D C 2.120 178.465 176.300 0.075 0.000 0.990 494 D CA 1.341 55.355 54.000 0.023 0.000 0.826 494 D CB -0.162 40.699 40.800 0.102 0.000 0.971 494 D HN 0.390 nan 8.370 nan 0.000 0.453 495 A N 0.875 123.734 122.820 0.065 0.000 1.972 495 A HA -0.171 4.148 4.320 -0.000 0.000 0.219 495 A C 2.170 179.782 177.584 0.047 0.000 1.169 495 A CA 1.708 53.789 52.037 0.073 0.000 0.635 495 A CB -0.463 18.571 19.000 0.057 0.000 0.810 495 A HN 0.237 nan 8.150 nan 0.000 0.446 496 K N -0.460 119.946 120.400 0.010 0.000 2.097 496 K HA -0.008 4.312 4.320 -0.000 0.000 0.205 496 K C 1.799 178.371 176.600 -0.047 0.000 1.050 496 K CA 1.104 57.385 56.287 -0.009 0.000 0.938 496 K CB -0.269 32.222 32.500 -0.015 0.000 0.718 496 K HN 0.444 nan 8.250 nan 0.000 0.442 497 L N 1.074 122.251 121.223 -0.078 0.000 2.056 497 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 497 L C 2.583 179.461 176.870 0.012 0.000 1.078 497 L CA 1.352 56.137 54.840 -0.092 0.000 0.749 497 L CB -0.356 41.513 42.059 -0.316 0.000 0.901 497 L HN 0.227 nan 8.230 nan 0.000 0.433 498 K N -0.016 120.437 120.400 0.088 0.000 2.015 498 K HA -0.250 4.070 4.320 -0.000 0.000 0.216 498 K C 1.995 178.561 176.600 -0.057 0.000 1.052 498 K CA 1.892 58.207 56.287 0.047 0.000 0.937 498 K CB -0.025 32.574 32.500 0.165 0.000 0.719 498 K HN 0.225 nan 8.250 nan 0.000 0.446 499 E N 0.714 120.920 120.200 0.010 0.000 2.077 499 E HA -0.187 4.162 4.350 -0.000 0.000 0.193 499 E C 2.213 178.840 176.600 0.046 0.000 0.989 499 E CA 1.250 57.667 56.400 0.029 0.000 0.800 499 E CB -0.361 29.370 29.700 0.052 0.000 0.746 499 E HN 0.473 nan 8.360 nan 0.000 0.452 500 I N 1.364 121.953 120.570 0.032 0.000 2.248 500 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 500 I C 2.597 178.828 176.117 0.190 0.000 1.107 500 I CA 1.364 62.711 61.300 0.079 0.000 1.373 500 I CB -0.384 37.545 38.000 -0.119 0.000 1.055 500 I HN 0.028 nan 8.210 nan 0.000 0.418 501 V N -2.035 117.906 119.914 0.045 0.000 2.725 501 V HA -0.085 4.035 4.120 -0.000 0.000 0.247 501 V C 2.357 178.430 176.094 -0.035 0.000 1.058 501 V CA 1.575 63.856 62.300 -0.031 0.000 1.080 501 V CB -1.147 30.456 31.823 -0.367 0.000 0.713 501 V HN 0.531 nan 8.190 nan 0.000 0.465 502 T N -2.510 111.977 114.554 -0.113 0.000 3.055 502 T HA -0.001 4.349 4.350 -0.000 0.000 0.265 502 T C 1.649 176.398 174.700 0.082 0.000 1.111 502 T CA 1.276 63.362 62.100 -0.023 0.000 1.118 502 T CB -0.541 68.314 68.868 -0.020 0.000 0.909 502 T HN 0.492 nan 8.240 nan 0.000 0.501 503 N N -0.070 118.701 118.700 0.118 0.000 2.432 503 N HA 0.201 4.941 4.740 -0.000 0.000 0.174 503 N C 1.202 176.799 175.510 0.145 0.000 1.037 503 N CA 0.264 53.386 53.050 0.120 0.000 0.892 503 N CB -0.253 38.300 38.487 0.110 0.000 1.049 503 N HN 0.376 nan 8.380 nan 0.000 0.442 504 F N 1.808 121.809 119.950 0.085 0.000 2.113 504 F HA -0.096 4.431 4.527 -0.000 0.000 0.297 504 F C 2.162 178.055 175.800 0.155 0.000 1.103 504 F CA 0.739 58.794 58.000 0.092 0.000 1.248 504 F CB -0.281 38.812 39.000 0.156 0.000 0.999 504 F HN -0.098 nan 8.300 nan 0.000 0.475 505 L N 0.785 122.263 121.223 0.424 0.000 1.990 505 L HA -0.181 4.159 4.340 -0.000 0.000 0.213 505 L C 2.556 179.588 176.870 0.269 0.000 1.072 505 L CA 2.200 57.282 54.840 0.402 0.000 0.755 505 L CB -1.490 40.737 42.059 0.279 0.000 0.889 505 L HN 0.196 nan 8.230 nan 0.000 0.432 506 A N -0.672 122.243 122.820 0.159 0.000 1.892 506 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 506 A C 2.378 179.993 177.584 0.050 0.000 1.188 506 A CA 2.052 54.145 52.037 0.093 0.000 0.631 506 A CB -1.712 17.326 19.000 0.064 0.000 0.822 506 A HN 0.562 nan 8.150 nan 0.000 0.447 507 G N -1.253 107.540 108.800 -0.011 0.000 2.553 507 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.218 507 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.218 507 G C 1.460 176.326 174.900 -0.058 0.000 1.195 507 G CA 1.300 46.332 45.100 -0.114 0.000 0.779 507 G HN 0.468 nan 8.290 nan 0.000 0.577 508 F N 1.488 121.340 119.950 -0.163 0.000 2.087 508 F HA -0.091 4.435 4.527 -0.000 0.000 0.299 508 F C 2.212 178.015 175.800 0.006 0.000 1.100 508 F CA 1.915 59.884 58.000 -0.051 0.000 1.226 508 F CB 0.024 39.098 39.000 0.124 0.000 0.983 508 F HN 0.206 nan 8.300 nan 0.000 0.479 509 E N 0.751 121.010 120.200 0.099 0.000 2.338 509 E HA 0.308 4.658 4.350 -0.000 0.000 0.231 509 E C 0.664 177.244 176.600 -0.034 0.000 1.231 509 E CA -0.147 56.259 56.400 0.010 0.000 1.490 509 E CB -0.245 29.533 29.700 0.129 0.000 1.360 509 E HN 0.386 nan 8.360 nan 0.000 0.435 510 A N 0.000 122.768 122.820 -0.086 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 51.989 52.037 -0.079 0.000 0.836 510 A CB 0.000 18.927 19.000 -0.122 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486