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 7req_1_B DATA FIRST_RESID 16 DATA SEQUENCE LTPTTLSLAG DFPKATEEQW EREVEKVLNR GRPPEKQLTF AECLKRLTVH DATA SEQUENCE TVDGIDIVPM YRPKDAPKKL GYPGVAPFTR GTTVRNGDMD AWDVRALHED DATA SEQUENCE PDEKFTRKAI LEGLERGVTS LLLRVDPDAI APEHLDEVLS DVLLEMTKVE DATA SEQUENCE VFSRYDQGAA AEALVSVYER SDKPAKDLAL NLGLDPIGFA ALQGTEPDLT DATA SEQUENCE VLGDWVRRLA KFSPDSRAVT IDANIYHNAG AGDVAELAWA LATGAEYVRA DATA SEQUENCE LVEQGFTATE AFDTINFRVT ATHDQFLTIA RLRALREAWA RIGEVFGVDE DATA SEQUENCE DKRGARQNAI TSWRELTRED PYVNILRGSI ATFSASVGGA ESITTLPFTQ DATA SEQUENCE ALGLPEDDFP LRIARNTGIV LAEEVNIGRV NDPAGGSYYV ESLTRSLADA DATA SEQUENCE AWKEFQEVEK LGGMSKAVMT EHVTKVLDAC NAERAKRLAN RKQPITAVSE DATA SEQUENCE FPMIGARSIE TKPFPAAPAR KGLAWHRDSE VFEQLMDRST SVSERPKVFL DATA SEQUENCE ACLGTRRDFG GREGFSSPVW HIAGIDTPQV EGGTTAEIVE AFKKSGAQVA DATA SEQUENCE DLCSSAKVYA QQGLEVAKAL KAAGAKALYL SGAFKEFGDD AAEAEKLIDG DATA SEQUENCE RLFMGMDVVD TLSSTLDILG VAK 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 16 L HA 0.000 nan 4.340 nan 0.000 0.249 16 L C 0.000 176.873 176.870 0.005 0.000 1.165 16 L CA 0.000 54.843 54.840 0.005 0.000 0.813 16 L CB 0.000 42.062 42.059 0.005 0.000 0.961 17 T N 1.987 116.545 114.554 0.006 0.000 0.673 17 T HA -0.067 4.284 4.350 0.001 0.000 0.759 17 T C -2.115 172.589 174.700 0.007 0.000 0.990 17 T CA -0.559 61.545 62.100 0.007 0.000 4.006 17 T CB -0.919 67.953 68.868 0.008 0.000 2.263 17 T HN 0.526 nan 8.240 nan 0.000 0.391 18 P HA 0.317 nan 4.420 nan 0.000 0.269 18 P C 0.916 178.221 177.300 0.008 0.000 1.209 18 P CA -0.229 62.875 63.100 0.007 0.000 0.776 18 P CB 0.533 32.237 31.700 0.008 0.000 0.876 19 T N -4.123 110.435 114.554 0.007 0.000 3.043 19 T HA 0.112 4.462 4.350 0.001 0.000 0.272 19 T C 0.647 175.352 174.700 0.008 0.000 0.990 19 T CA 0.276 62.381 62.100 0.008 0.000 0.897 19 T CB -0.413 68.459 68.868 0.007 0.000 1.111 19 T HN 0.501 nan 8.240 nan 0.000 0.529 20 T N 0.051 114.610 114.554 0.007 0.000 3.516 20 T HA 0.446 4.797 4.350 0.001 0.000 0.300 20 T C -0.086 174.618 174.700 0.007 0.000 0.995 20 T CA -0.642 61.462 62.100 0.007 0.000 0.982 20 T CB -0.191 68.680 68.868 0.004 0.000 1.199 20 T HN 0.177 nan 8.240 nan 0.000 0.481 21 L N 3.222 124.451 121.223 0.010 0.000 2.540 21 L HA 0.440 4.780 4.340 0.001 0.000 0.276 21 L C 0.360 177.240 176.870 0.016 0.000 1.212 21 L CA 0.373 55.220 54.840 0.012 0.000 0.893 21 L CB 0.635 42.704 42.059 0.016 0.000 1.138 21 L HN 0.425 nan 8.230 nan 0.000 0.491 22 S N 5.146 120.853 115.700 0.012 0.000 2.457 22 S HA 0.545 5.015 4.470 0.001 0.000 0.289 22 S C 0.531 175.151 174.600 0.033 0.000 1.163 22 S CA -0.696 57.513 58.200 0.015 0.000 1.078 22 S CB 0.489 63.686 63.200 -0.005 0.000 0.987 22 S HN 0.728 nan 8.310 nan 0.000 0.482 23 L N 4.190 125.452 121.223 0.065 0.000 3.223 23 L HA 0.399 4.740 4.340 0.001 0.000 0.168 23 L C 2.566 179.561 176.870 0.208 0.000 1.239 23 L CA 0.450 55.361 54.840 0.119 0.000 0.856 23 L CB -1.069 41.042 42.059 0.088 0.000 1.415 23 L HN 0.715 nan 8.230 nan 0.000 0.562 24 A N 0.416 123.339 122.820 0.171 0.000 1.969 24 A HA -0.073 4.247 4.320 0.001 0.000 0.218 24 A C 2.119 179.830 177.584 0.211 0.000 1.169 24 A CA 1.602 53.767 52.037 0.213 0.000 0.635 24 A CB -1.233 17.829 19.000 0.103 0.000 0.810 24 A HN 0.533 nan 8.150 nan 0.000 0.445 25 G N -0.420 108.445 108.800 0.108 0.000 2.479 25 G HA2 -0.219 3.742 3.960 0.001 0.000 0.220 25 G HA3 -0.219 3.742 3.960 0.001 0.000 0.220 25 G C 0.923 175.816 174.900 -0.011 0.000 1.115 25 G CA 1.208 46.336 45.100 0.047 0.000 0.757 25 G HN 0.472 nan 8.290 nan 0.000 0.560 26 D N -0.654 119.691 120.400 -0.092 0.000 2.347 26 D HA 0.145 4.786 4.640 0.001 0.000 0.213 26 D C 0.212 176.170 176.300 -0.569 0.000 0.985 26 D CA 0.205 54.001 54.000 -0.340 0.000 0.879 26 D CB 0.093 40.580 40.800 -0.522 0.000 0.919 26 D HN 0.313 nan 8.370 nan 0.000 0.526 27 F N 0.063 120.014 119.950 0.002 0.000 2.556 27 F HA 0.423 4.951 4.527 0.001 0.000 0.327 27 F C -1.731 174.069 175.800 0.001 0.000 1.059 27 F CA -2.613 55.388 58.000 0.002 0.000 0.953 27 F CB 0.667 39.669 39.000 0.004 0.000 1.227 27 F HN -0.328 nan 8.300 nan 0.000 0.478 28 P HA 0.013 nan 4.420 nan 0.000 0.268 28 P C -0.947 176.412 177.300 0.099 0.000 1.208 28 P CA -0.448 62.716 63.100 0.107 0.000 0.777 28 P CB 0.511 32.263 31.700 0.087 0.000 0.875 29 K N 1.452 121.887 120.400 0.059 0.000 2.419 29 K HA 0.325 4.645 4.320 0.001 0.000 0.282 29 K C -0.011 176.608 176.600 0.031 0.000 1.056 29 K CA -0.225 56.087 56.287 0.041 0.000 1.035 29 K CB -0.088 32.426 32.500 0.022 0.000 0.921 29 K HN 0.543 nan 8.250 nan 0.000 0.472 30 A N 3.505 126.339 122.820 0.023 0.000 2.388 30 A HA 0.290 4.611 4.320 0.001 0.000 0.257 30 A C 0.076 177.659 177.584 -0.001 0.000 1.095 30 A CA -0.329 51.715 52.037 0.012 0.000 0.791 30 A CB 0.438 19.437 19.000 -0.002 0.000 1.029 30 A HN 0.818 nan 8.150 nan 0.000 0.489 31 T N -1.135 113.423 114.554 0.006 0.000 2.942 31 T HA 0.443 4.793 4.350 0.001 0.000 0.289 31 T C 0.790 175.496 174.700 0.010 0.000 1.044 31 T CA -0.110 61.987 62.100 -0.005 0.000 1.023 31 T CB 1.486 70.351 68.868 -0.006 0.000 1.123 31 T HN 0.694 nan 8.240 nan 0.000 0.512 32 E N 0.403 120.597 120.200 -0.009 0.000 2.070 32 E HA -0.244 4.106 4.350 0.001 0.000 0.197 32 E C 1.601 178.210 176.600 0.016 0.000 1.004 32 E CA 1.825 58.229 56.400 0.007 0.000 0.805 32 E CB -0.066 29.611 29.700 -0.037 0.000 0.744 32 E HN 0.787 nan 8.360 nan 0.000 0.451 33 E N 0.436 120.613 120.200 -0.038 0.000 2.085 33 E HA -0.242 4.108 4.350 0.001 0.000 0.194 33 E C 1.974 178.538 176.600 -0.060 0.000 0.994 33 E CA 1.480 57.836 56.400 -0.073 0.000 0.801 33 E CB -0.201 29.471 29.700 -0.047 0.000 0.743 33 E HN 0.341 nan 8.360 nan 0.000 0.453 34 Q N -0.689 119.105 119.800 -0.010 0.000 2.046 34 Q HA -0.190 4.150 4.340 0.001 0.000 0.200 34 Q C 1.939 177.953 176.000 0.024 0.000 0.975 34 Q CA 1.463 57.267 55.803 0.003 0.000 0.836 34 Q CB -0.296 28.455 28.738 0.022 0.000 0.896 34 Q HN 0.448 nan 8.270 nan 0.000 0.428 35 W N 1.795 123.020 121.300 -0.125 0.000 2.355 35 W HA -0.166 4.495 4.660 0.001 0.000 0.309 35 W C 1.622 178.042 176.519 -0.166 0.000 1.206 35 W CA 2.026 59.295 57.345 -0.127 0.000 1.284 35 W CB -0.190 29.190 29.460 -0.135 0.000 1.145 35 W HN 0.242 nan 8.180 nan 0.000 0.502 36 E N -0.260 119.689 120.200 -0.417 0.000 2.097 36 E HA -0.283 4.068 4.350 0.001 0.000 0.196 36 E C 2.216 178.590 176.600 -0.376 0.000 1.000 36 E CA 1.725 57.673 56.400 -0.753 0.000 0.804 36 E CB -0.372 28.809 29.700 -0.864 0.000 0.740 36 E HN 0.340 nan 8.360 nan 0.000 0.454 37 R N 0.453 120.818 120.500 -0.225 0.000 2.115 37 R HA -0.104 4.237 4.340 0.001 0.000 0.230 37 R C 2.170 178.385 176.300 -0.142 0.000 1.111 37 R CA 0.835 56.857 56.100 -0.131 0.000 0.976 37 R CB 0.005 30.255 30.300 -0.083 0.000 0.870 37 R HN 0.142 nan 8.270 nan 0.000 0.445 38 E N 0.297 120.385 120.200 -0.187 0.000 2.072 38 E HA -0.115 4.236 4.350 0.001 0.000 0.191 38 E C 2.169 178.632 176.600 -0.228 0.000 0.985 38 E CA 0.935 57.233 56.400 -0.170 0.000 0.801 38 E CB -0.168 29.452 29.700 -0.133 0.000 0.750 38 E HN 0.110 nan 8.360 nan 0.000 0.452 39 V N 1.600 121.286 119.914 -0.381 0.000 2.261 39 V HA -0.251 3.870 4.120 0.001 0.000 0.246 39 V C 2.240 178.243 176.094 -0.152 0.000 1.047 39 V CA 1.899 64.008 62.300 -0.318 0.000 1.015 39 V CB -0.527 31.031 31.823 -0.441 0.000 0.642 39 V HN 0.230 nan 8.190 nan 0.000 0.446 40 E N 0.143 120.285 120.200 -0.098 0.000 2.049 40 E HA -0.291 4.059 4.350 0.001 0.000 0.198 40 E C 2.294 178.859 176.600 -0.059 0.000 1.007 40 E CA 1.759 58.128 56.400 -0.052 0.000 0.809 40 E CB -0.212 29.473 29.700 -0.026 0.000 0.749 40 E HN 0.576 nan 8.360 nan 0.000 0.450 41 K N 0.229 120.590 120.400 -0.066 0.000 2.032 41 K HA -0.164 4.156 4.320 0.001 0.000 0.209 41 K C 2.189 178.758 176.600 -0.051 0.000 1.048 41 K CA 1.476 57.731 56.287 -0.053 0.000 0.927 41 K CB -0.204 32.266 32.500 -0.051 0.000 0.712 41 K HN -0.007 nan 8.250 nan 0.000 0.441 42 V N 1.338 121.214 119.914 -0.062 0.000 2.261 42 V HA -0.234 3.886 4.120 0.001 0.000 0.246 42 V C 2.159 178.224 176.094 -0.048 0.000 1.047 42 V CA 1.592 63.861 62.300 -0.052 0.000 1.015 42 V CB -0.412 31.376 31.823 -0.058 0.000 0.642 42 V HN 0.182 nan 8.190 nan 0.000 0.446 43 L N 0.452 121.640 121.223 -0.058 0.000 2.191 43 L HA -0.085 4.256 4.340 0.001 0.000 0.212 43 L C 2.069 178.912 176.870 -0.044 0.000 1.103 43 L CA 1.585 56.393 54.840 -0.054 0.000 0.769 43 L CB -0.810 41.207 42.059 -0.069 0.000 0.908 43 L HN 0.341 nan 8.230 nan 0.000 0.438 44 N N -0.226 118.450 118.700 -0.041 0.000 2.467 44 N HA 0.004 4.744 4.740 0.001 0.000 0.184 44 N C 0.238 175.731 175.510 -0.028 0.000 1.106 44 N CA 0.179 53.209 53.050 -0.033 0.000 0.892 44 N CB 0.055 38.524 38.487 -0.031 0.000 0.969 44 N HN 0.288 nan 8.380 nan 0.000 0.454 45 R N 0.293 120.775 120.500 -0.029 0.000 2.480 45 R HA 0.151 4.492 4.340 0.001 0.000 0.303 45 R C 1.142 177.429 176.300 -0.022 0.000 0.985 45 R CA 0.761 56.847 56.100 -0.024 0.000 1.051 45 R CB -0.036 30.250 30.300 -0.024 0.000 0.935 45 R HN 0.183 nan 8.270 nan 0.000 0.410 46 G N 2.789 111.577 108.800 -0.019 0.000 2.176 46 G HA2 -0.307 3.653 3.960 0.001 0.000 0.253 46 G HA3 -0.307 3.653 3.960 0.001 0.000 0.253 46 G C -0.005 174.884 174.900 -0.018 0.000 0.979 46 G CA -0.287 44.802 45.100 -0.018 0.000 0.641 46 G HN 0.540 nan 8.290 nan 0.000 0.530 47 R N 1.101 121.589 120.500 -0.019 0.000 2.346 47 R HA 0.511 4.851 4.340 0.001 0.000 0.311 47 R C -2.270 174.020 176.300 -0.016 0.000 0.983 47 R CA -1.806 54.283 56.100 -0.018 0.000 0.880 47 R CB 1.451 31.738 30.300 -0.021 0.000 1.100 47 R HN 0.122 nan 8.270 nan 0.000 0.453 48 P HA 0.051 nan 4.420 nan 0.000 0.271 48 P C -2.067 175.226 177.300 -0.012 0.000 1.233 48 P CA -1.315 61.778 63.100 -0.012 0.000 0.789 48 P CB 0.191 31.885 31.700 -0.011 0.000 0.951 49 P HA -0.180 nan 4.420 nan 0.000 0.218 49 P C 1.099 178.393 177.300 -0.010 0.000 1.146 49 P CA 1.565 64.659 63.100 -0.010 0.000 0.813 49 P CB -0.115 31.580 31.700 -0.009 0.000 0.778 50 E N -0.124 120.070 120.200 -0.010 0.000 2.472 50 E HA -0.022 4.329 4.350 0.001 0.000 0.196 50 E C 0.806 177.400 176.600 -0.011 0.000 1.033 50 E CA 0.516 56.911 56.400 -0.009 0.000 0.886 50 E CB -0.132 29.563 29.700 -0.008 0.000 0.944 50 E HN 0.178 nan 8.360 nan 0.000 0.492 51 K N 1.199 121.592 120.400 -0.012 0.000 2.593 51 K HA 0.165 4.486 4.320 0.001 0.000 0.208 51 K C -0.083 176.506 176.600 -0.018 0.000 1.051 51 K CA -0.256 56.023 56.287 -0.015 0.000 1.111 51 K CB 0.719 33.210 32.500 -0.015 0.000 0.849 51 K HN -0.008 nan 8.250 nan 0.000 0.479 52 Q N 1.245 121.035 119.800 -0.017 0.000 2.313 52 Q HA 0.157 4.498 4.340 0.001 0.000 0.266 52 Q C -0.132 175.856 176.000 -0.021 0.000 0.989 52 Q CA 0.228 56.019 55.803 -0.019 0.000 0.890 52 Q CB 1.037 29.766 28.738 -0.015 0.000 1.200 52 Q HN 0.273 nan 8.270 nan 0.000 0.396 53 L N 2.101 123.308 121.223 -0.027 0.000 2.334 53 L HA 0.331 4.671 4.340 0.001 0.000 0.277 53 L C 1.047 177.902 176.870 -0.025 0.000 1.075 53 L CA -0.623 54.197 54.840 -0.033 0.000 0.804 53 L CB 0.980 43.009 42.059 -0.050 0.000 1.174 53 L HN 0.651 nan 8.230 nan 0.000 0.438 54 T N -1.918 112.624 114.554 -0.021 0.000 2.824 54 T HA 0.159 4.509 4.350 0.001 0.000 0.277 54 T C 0.851 175.556 174.700 0.009 0.000 0.975 54 T CA -0.424 61.682 62.100 0.009 0.000 0.966 54 T CB 0.815 69.692 68.868 0.015 0.000 1.054 54 T HN 0.438 nan 8.240 nan 0.000 0.533 55 F N 1.406 121.315 119.950 -0.069 0.000 2.102 55 F HA 0.033 4.561 4.527 0.001 0.000 0.298 55 F C 2.641 178.402 175.800 -0.064 0.000 1.105 55 F CA 1.751 59.697 58.000 -0.091 0.000 1.239 55 F CB -1.147 37.798 39.000 -0.092 0.000 0.991 55 F HN 0.714 nan 8.300 nan 0.000 0.474 56 A N 0.240 122.965 122.820 -0.158 0.000 1.917 56 A HA -0.232 4.088 4.320 0.001 0.000 0.219 56 A C 2.105 179.543 177.584 -0.243 0.000 1.182 56 A CA 2.066 53.979 52.037 -0.206 0.000 0.633 56 A CB -0.786 18.190 19.000 -0.040 0.000 0.819 56 A HN 0.504 nan 8.150 nan 0.000 0.448 57 E N -0.610 119.483 120.200 -0.177 0.000 2.152 57 E HA -0.109 4.242 4.350 0.001 0.000 0.192 57 E C 2.175 178.657 176.600 -0.196 0.000 0.983 57 E CA 1.091 57.405 56.400 -0.143 0.000 0.818 57 E CB -0.817 28.831 29.700 -0.086 0.000 0.758 57 E HN 0.682 nan 8.360 nan 0.000 0.467 58 C N 0.798 119.929 119.300 -0.282 0.000 2.453 58 C HA -0.072 4.388 4.460 0.001 0.000 0.277 58 C C 2.726 177.491 174.990 -0.373 0.000 1.262 58 C CA 0.293 59.133 59.018 -0.297 0.000 1.718 58 C CB -1.027 26.532 27.740 -0.302 0.000 2.031 58 C HN 0.341 nan 8.230 nan 0.000 0.480 59 L N 1.486 122.334 121.223 -0.626 0.000 2.012 59 L HA -0.135 4.205 4.340 0.001 0.000 0.210 59 L C 2.405 179.128 176.870 -0.245 0.000 1.073 59 L CA 1.928 56.468 54.840 -0.500 0.000 0.748 59 L CB -0.724 40.940 42.059 -0.658 0.000 0.891 59 L HN 0.246 nan 8.230 nan 0.000 0.431 60 K N -0.843 119.443 120.400 -0.191 0.000 2.063 60 K HA -0.172 4.148 4.320 0.001 0.000 0.208 60 K C 2.197 178.760 176.600 -0.061 0.000 1.048 60 K CA 1.826 58.063 56.287 -0.083 0.000 0.928 60 K CB -0.128 32.339 32.500 -0.055 0.000 0.713 60 K HN 0.294 nan 8.250 nan 0.000 0.442 61 R N 0.287 120.736 120.500 -0.086 0.000 2.115 61 R HA -0.046 4.295 4.340 0.001 0.000 0.230 61 R C 1.816 178.076 176.300 -0.066 0.000 1.111 61 R CA 0.952 57.016 56.100 -0.060 0.000 0.976 61 R CB -0.094 30.165 30.300 -0.069 0.000 0.870 61 R HN 0.164 nan 8.270 nan 0.000 0.445 62 L N 0.184 121.351 121.223 -0.093 0.000 2.592 62 L HA 0.089 4.430 4.340 0.001 0.000 0.227 62 L C 0.173 176.985 176.870 -0.096 0.000 1.127 62 L CA 0.080 54.872 54.840 -0.080 0.000 0.884 62 L CB 0.169 42.184 42.059 -0.072 0.000 1.065 62 L HN -0.014 nan 8.230 nan 0.000 0.457 63 T N 0.813 115.289 114.554 -0.129 0.000 2.780 63 T HA 0.327 4.677 4.350 0.001 0.000 0.294 63 T C 0.080 174.568 174.700 -0.354 0.000 0.949 63 T CA -0.133 61.845 62.100 -0.204 0.000 1.074 63 T CB 2.135 70.890 68.868 -0.188 0.000 0.910 63 T HN -0.227 nan 8.240 nan 0.000 0.501 64 V N 5.232 124.960 119.914 -0.310 0.000 2.481 64 V HA 0.296 4.416 4.120 0.001 0.000 0.286 64 V C -0.091 175.763 176.094 -0.399 0.000 1.042 64 V CA -0.810 61.320 62.300 -0.283 0.000 0.928 64 V CB 0.997 32.770 31.823 -0.083 0.000 0.986 64 V HN 0.827 nan 8.190 nan 0.000 0.462 65 H N 2.583 121.681 119.070 0.046 0.000 2.587 65 H HA 0.346 4.902 4.556 0.001 0.000 0.325 65 H C 0.437 175.795 175.328 0.050 0.000 1.012 65 H CA -0.441 55.635 56.048 0.046 0.000 1.213 65 H CB 1.575 31.357 29.762 0.034 0.000 1.431 65 H HN 0.788 nan 8.280 nan 0.000 0.492 66 T N -1.264 113.378 114.554 0.146 0.000 2.667 66 T HA 0.048 4.398 4.350 0.001 0.000 0.305 66 T C 1.721 176.480 174.700 0.098 0.000 1.022 66 T CA -0.568 61.597 62.100 0.109 0.000 0.995 66 T CB 0.568 69.490 68.868 0.090 0.000 1.026 66 T HN 0.227 nan 8.240 nan 0.000 0.527 67 V N 1.740 121.697 119.914 0.072 0.000 2.427 67 V HA -0.066 4.054 4.120 0.001 0.000 0.248 67 V C 1.790 177.906 176.094 0.036 0.000 1.051 67 V CA 2.222 64.553 62.300 0.052 0.000 1.048 67 V CB -0.882 30.966 31.823 0.042 0.000 0.666 67 V HN 1.054 nan 8.190 nan 0.000 0.456 68 D N -0.704 119.714 120.400 0.029 0.000 2.587 68 D HA 0.294 4.934 4.640 0.001 0.000 0.233 68 D C 1.299 177.617 176.300 0.029 0.000 1.213 68 D CA 0.400 54.408 54.000 0.012 0.000 0.827 68 D CB -0.057 40.731 40.800 -0.019 0.000 1.006 68 D HN 0.345 nan 8.370 nan 0.000 0.490 69 G N 0.243 109.074 108.800 0.053 0.000 2.168 69 G HA2 -0.262 3.699 3.960 0.001 0.000 0.263 69 G HA3 -0.262 3.699 3.960 0.001 0.000 0.263 69 G C 0.079 175.039 174.900 0.100 0.000 0.977 69 G CA 0.050 45.193 45.100 0.071 0.000 0.659 69 G HN 0.410 nan 8.290 nan 0.000 0.533 70 I N 1.200 121.830 120.570 0.100 0.000 2.441 70 I HA 0.291 4.462 4.170 0.001 0.000 0.287 70 I C -0.179 176.022 176.117 0.141 0.000 1.049 70 I CA -0.571 60.795 61.300 0.109 0.000 1.381 70 I CB 0.964 39.018 38.000 0.089 0.000 1.409 70 I HN -0.052 nan 8.210 nan 0.000 0.523 71 D N 6.745 127.233 120.400 0.147 0.000 2.274 71 D HA 0.486 5.127 4.640 0.001 0.000 0.239 71 D C -0.167 176.197 176.300 0.108 0.000 1.104 71 D CA -0.025 54.050 54.000 0.124 0.000 0.840 71 D CB 1.333 42.227 40.800 0.155 0.000 1.100 71 D HN 0.247 nan 8.370 nan 0.000 0.477 72 I N 2.947 123.552 120.570 0.059 0.000 2.382 72 I HA 0.229 4.399 4.170 0.001 0.000 0.286 72 I C 0.225 176.361 176.117 0.032 0.000 1.002 72 I CA -1.047 60.343 61.300 0.149 0.000 1.135 72 I CB 1.447 39.550 38.000 0.171 0.000 1.288 72 I HN 0.113 nan 8.210 nan 0.000 0.448 73 V N 4.608 124.521 119.914 -0.002 0.000 2.997 73 V HA 0.511 4.631 4.120 0.001 0.000 0.311 73 V C -1.685 174.285 176.094 -0.207 0.000 1.066 73 V CA -1.182 61.016 62.300 -0.170 0.000 1.039 73 V CB 0.704 32.369 31.823 -0.263 0.000 1.081 73 V HN 0.582 nan 8.190 nan 0.000 0.467 74 P HA 0.034 nan 4.420 nan 0.000 0.223 74 P C 0.179 177.418 177.300 -0.102 0.000 1.151 74 P CA 1.162 64.218 63.100 -0.072 0.000 0.787 74 P CB 0.342 32.071 31.700 0.047 0.000 0.788 75 M N -0.730 118.739 119.600 -0.218 0.000 2.326 75 M HA 0.376 4.857 4.480 0.001 0.000 0.292 75 M C -1.755 174.284 176.300 -0.435 0.000 1.081 75 M CA -0.895 54.248 55.300 -0.261 0.000 0.919 75 M CB 2.118 34.516 32.600 -0.336 0.000 1.634 75 M HN -0.304 nan 8.290 nan 0.000 0.451 76 Y N 2.524 122.772 120.300 -0.086 0.000 2.446 76 Y HA 0.654 5.205 4.550 0.001 0.000 0.338 76 Y C -0.147 175.723 175.900 -0.050 0.000 1.055 76 Y CA -0.509 57.583 58.100 -0.014 0.000 1.101 76 Y CB 1.929 40.447 38.460 0.097 0.000 1.221 76 Y HN 0.607 nan 8.280 nan 0.000 0.460 77 R N 1.903 122.366 120.500 -0.060 0.000 2.939 77 R HA 0.392 4.733 4.340 0.001 0.000 0.254 77 R C -1.910 173.944 176.300 -0.744 0.000 1.123 77 R CA -1.994 53.890 56.100 -0.360 0.000 1.020 77 R CB 1.057 31.200 30.300 -0.261 0.000 1.206 77 R HN 0.293 nan 8.270 nan 0.000 0.491 78 P HA -0.279 nan 4.420 nan 0.000 0.216 78 P C 0.301 177.375 177.300 -0.377 0.000 1.154 78 P CA 1.767 64.353 63.100 -0.855 0.000 0.865 78 P CB 0.079 31.511 31.700 -0.447 0.000 0.789 79 K N -0.855 119.407 120.400 -0.229 0.000 2.280 79 K HA -0.122 4.199 4.320 0.001 0.000 0.202 79 K C 1.006 177.574 176.600 -0.055 0.000 1.047 79 K CA 1.429 57.651 56.287 -0.109 0.000 0.942 79 K CB -0.700 31.751 32.500 -0.082 0.000 0.739 79 K HN 0.105 nan 8.250 nan 0.000 0.457 80 D N 1.269 121.650 120.400 -0.032 0.000 2.363 80 D HA 0.044 4.685 4.640 0.001 0.000 0.220 80 D C 0.328 176.674 176.300 0.077 0.000 0.994 80 D CA 0.560 54.599 54.000 0.066 0.000 0.890 80 D CB 0.343 41.260 40.800 0.194 0.000 0.906 80 D HN 0.402 nan 8.370 nan 0.000 0.530 81 A N 1.542 124.406 122.820 0.074 0.000 2.340 81 A HA 0.580 4.901 4.320 0.001 0.000 0.331 81 A C -2.415 175.196 177.584 0.044 0.000 1.140 81 A CA -1.295 50.798 52.037 0.093 0.000 0.801 81 A CB 1.191 20.315 19.000 0.207 0.000 1.234 81 A HN -0.164 nan 8.150 nan 0.000 0.469 82 P HA 0.149 nan 4.420 nan 0.000 0.275 82 P C 0.388 177.693 177.300 0.009 0.000 1.228 82 P CA -0.374 62.731 63.100 0.009 0.000 0.786 82 P CB 0.928 32.625 31.700 -0.004 0.000 0.927 83 K N 1.303 121.704 120.400 0.002 0.000 2.026 83 K HA -0.063 4.257 4.320 0.001 0.000 0.208 83 K C 0.499 177.095 176.600 -0.006 0.000 1.048 83 K CA 1.373 57.661 56.287 0.002 0.000 0.929 83 K CB 0.036 32.536 32.500 0.000 0.000 0.713 83 K HN 0.380 nan 8.250 nan 0.000 0.439 84 K N 1.797 122.189 120.400 -0.014 0.000 2.211 84 K HA 0.152 4.472 4.320 0.001 0.000 0.275 84 K C 1.198 177.762 176.600 -0.060 0.000 1.024 84 K CA -0.097 56.172 56.287 -0.030 0.000 0.887 84 K CB 1.333 33.826 32.500 -0.012 0.000 1.084 84 K HN 0.076 nan 8.250 nan 0.000 0.463 85 L N 1.401 122.558 121.223 -0.111 0.000 2.418 85 L HA 0.025 4.365 4.340 0.001 0.000 0.218 85 L C 1.091 177.846 176.870 -0.192 0.000 1.125 85 L CA 0.490 55.247 54.840 -0.139 0.000 0.835 85 L CB -0.415 41.554 42.059 -0.150 0.000 0.953 85 L HN 0.972 nan 8.230 nan 0.000 0.454 86 G N -0.698 107.945 108.800 -0.263 0.000 2.795 86 G HA2 -0.251 3.710 3.960 0.001 0.000 0.664 86 G HA3 -0.251 3.710 3.960 0.001 0.000 0.664 86 G C -1.158 173.453 174.900 -0.483 0.000 1.381 86 G CA -0.722 44.247 45.100 -0.218 0.000 0.853 86 G HN 0.041 nan 8.290 nan 0.000 0.545 87 Y N -0.107 120.149 120.300 -0.073 0.000 2.499 87 Y HA 0.633 5.184 4.550 0.001 0.000 0.347 87 Y C -1.791 174.042 175.900 -0.112 0.000 0.987 87 Y CA -1.803 56.250 58.100 -0.078 0.000 1.044 87 Y CB 2.490 40.901 38.460 -0.081 0.000 1.245 87 Y HN 0.546 nan 8.280 nan 0.000 0.461 88 P HA 0.194 nan 4.420 nan 0.000 0.275 88 P C 0.597 177.888 177.300 -0.016 0.000 1.227 88 P CA 0.456 63.568 63.100 0.019 0.000 0.781 88 P CB 1.074 32.802 31.700 0.046 0.000 0.906 89 G N 0.639 109.407 108.800 -0.054 0.000 2.148 89 G HA2 -0.155 3.805 3.960 0.001 0.000 0.254 89 G HA3 -0.155 3.805 3.960 0.001 0.000 0.254 89 G C -0.212 174.458 174.900 -0.384 0.000 0.981 89 G CA 0.160 45.230 45.100 -0.051 0.000 0.670 89 G HN 0.582 nan 8.290 nan 0.000 0.528 90 V N -0.362 119.102 119.914 -0.750 0.000 2.888 90 V HA 0.824 4.945 4.120 0.001 0.000 0.309 90 V C 0.681 176.238 176.094 -0.895 0.000 1.114 90 V CA -0.842 61.051 62.300 -0.679 0.000 0.940 90 V CB 1.635 33.313 31.823 -0.243 0.000 1.021 90 V HN 1.439 nan 8.190 nan 0.000 0.426 91 A N 5.018 127.488 122.820 -0.583 0.000 2.561 91 A HA 0.374 4.694 4.320 0.001 0.000 0.234 91 A C -0.836 176.696 177.584 -0.087 0.000 1.055 91 A CA -0.160 51.794 52.037 -0.139 0.000 0.756 91 A CB -0.188 18.860 19.000 0.080 0.000 0.986 91 A HN 0.804 nan 8.150 nan 0.000 0.505 92 P HA 0.154 nan 4.420 nan 0.000 0.249 92 P C 0.070 177.536 177.300 0.277 0.000 1.241 92 P CA 0.117 63.292 63.100 0.126 0.000 0.781 92 P CB -0.270 31.476 31.700 0.077 0.000 1.088 93 F N -2.174 117.809 119.950 0.056 0.000 2.748 93 F HA -0.279 4.248 4.527 0.001 0.000 0.370 93 F C 1.695 177.515 175.800 0.034 0.000 0.620 93 F CA 1.276 59.313 58.000 0.061 0.000 1.233 93 F CB -2.814 36.242 39.000 0.095 0.000 1.708 93 F HN -0.066 nan 8.300 nan 0.000 0.298 94 T N -0.427 114.208 114.554 0.135 0.000 2.665 94 T HA -0.262 4.089 4.350 0.001 0.000 0.268 94 T C 1.861 176.578 174.700 0.029 0.000 1.035 94 T CA 1.905 64.041 62.100 0.060 0.000 1.151 94 T CB -0.204 68.674 68.868 0.017 0.000 0.862 94 T HN 0.436 nan 8.240 nan 0.000 0.438 95 R N 1.137 121.643 120.500 0.011 0.000 2.189 95 R HA 0.246 4.587 4.340 0.001 0.000 0.223 95 R C 1.169 177.481 176.300 0.019 0.000 1.092 95 R CA 0.654 56.748 56.100 -0.009 0.000 0.989 95 R CB -0.047 30.230 30.300 -0.038 0.000 0.876 95 R HN 0.493 nan 8.270 nan 0.000 0.457 96 G N -1.668 107.176 108.800 0.074 0.000 2.358 96 G HA2 0.004 3.964 3.960 0.001 0.000 0.303 96 G HA3 0.004 3.964 3.960 0.001 0.000 0.303 96 G C -0.169 174.861 174.900 0.217 0.000 1.537 96 G CA -0.693 44.468 45.100 0.101 0.000 0.928 96 G HN -0.117 nan 8.290 nan 0.000 0.656 97 T N 0.112 114.800 114.554 0.223 0.000 2.988 97 T HA 0.229 4.580 4.350 0.001 0.000 0.240 97 T C 1.209 176.054 174.700 0.243 0.000 1.014 97 T CA 1.603 63.900 62.100 0.328 0.000 1.155 97 T CB -0.039 68.955 68.868 0.210 0.000 0.872 97 T HN 0.634 nan 8.240 nan 0.000 0.440 98 T N 2.705 117.353 114.554 0.156 0.000 2.837 98 T HA 0.537 4.887 4.350 0.001 0.000 0.285 98 T C -0.281 174.480 174.700 0.100 0.000 0.984 98 T CA -0.463 61.711 62.100 0.125 0.000 1.049 98 T CB 1.910 70.840 68.868 0.105 0.000 0.947 98 T HN -0.088 nan 8.240 nan 0.000 0.472 99 V N 4.424 124.390 119.914 0.087 0.000 2.530 99 V HA 0.250 4.370 4.120 0.001 0.000 0.282 99 V C 0.773 176.905 176.094 0.063 0.000 1.048 99 V CA -0.432 61.909 62.300 0.069 0.000 0.997 99 V CB 0.544 32.402 31.823 0.059 0.000 0.987 99 V HN 0.701 nan 8.190 nan 0.000 0.477 100 R N 3.565 124.101 120.500 0.060 0.000 2.410 100 R HA 0.221 4.561 4.340 0.001 0.000 0.288 100 R C 0.793 177.119 176.300 0.044 0.000 1.051 100 R CA -0.340 55.794 56.100 0.057 0.000 1.021 100 R CB 0.502 30.840 30.300 0.064 0.000 1.032 100 R HN 0.858 nan 8.270 nan 0.000 0.481 101 N N 1.291 120.012 118.700 0.035 0.000 2.280 101 N HA 0.058 4.798 4.740 0.001 0.000 0.192 101 N C 0.875 176.398 175.510 0.022 0.000 1.109 101 N CA 0.529 53.594 53.050 0.027 0.000 0.855 101 N CB 0.961 39.461 38.487 0.021 0.000 0.974 101 N HN 0.822 nan 8.380 nan 0.000 0.482 102 G N -0.578 108.236 108.800 0.023 0.000 2.179 102 G HA2 -0.222 3.738 3.960 0.001 0.000 0.220 102 G HA3 -0.222 3.738 3.960 0.001 0.000 0.220 102 G C -0.721 174.184 174.900 0.009 0.000 0.990 102 G CA 0.010 45.121 45.100 0.019 0.000 0.646 102 G HN 0.415 nan 8.290 nan 0.000 0.517 103 D N 0.366 120.766 120.400 0.000 0.000 2.339 103 D HA 0.463 5.103 4.640 0.001 0.000 0.245 103 D C 2.056 178.337 176.300 -0.032 0.000 1.115 103 D CA 0.196 54.187 54.000 -0.016 0.000 0.917 103 D CB 0.726 41.512 40.800 -0.024 0.000 1.192 103 D HN 0.398 nan 8.370 nan 0.000 0.428 104 M N -0.132 119.439 119.600 -0.048 0.000 2.086 104 M HA -0.088 4.392 4.480 0.001 0.000 0.261 104 M C -0.059 176.143 176.300 -0.164 0.000 1.067 104 M CA 1.427 56.682 55.300 -0.075 0.000 1.116 104 M CB 0.046 32.608 32.600 -0.064 0.000 1.348 104 M HN -0.038 nan 8.290 nan 0.000 0.407 105 D N 2.236 122.518 120.400 -0.197 0.000 2.551 105 D HA 0.309 4.949 4.640 0.001 0.000 0.223 105 D C 0.979 177.111 176.300 -0.280 0.000 1.144 105 D CA 0.285 54.089 54.000 -0.325 0.000 1.025 105 D CB 0.985 41.643 40.800 -0.236 0.000 1.085 105 D HN 0.479 nan 8.370 nan 0.000 0.506 106 A N 2.092 124.743 122.820 -0.282 0.000 2.021 106 A HA 0.075 4.395 4.320 0.001 0.000 0.216 106 A C 0.584 178.228 177.584 0.100 0.000 1.163 106 A CA 0.294 52.313 52.037 -0.031 0.000 0.676 106 A CB -0.103 18.995 19.000 0.164 0.000 0.818 106 A HN 0.577 nan 8.150 nan 0.000 0.453 107 W N -1.674 119.619 121.300 -0.012 0.000 2.929 107 W HA 0.666 5.327 4.660 0.001 0.000 0.345 107 W C -1.070 175.445 176.519 -0.007 0.000 1.151 107 W CA -1.273 56.063 57.345 -0.014 0.000 1.111 107 W CB 0.369 29.813 29.460 -0.027 0.000 1.449 107 W HN -0.066 nan 8.180 nan 0.000 0.572 108 D N 0.969 121.494 120.400 0.208 0.000 2.277 108 D HA 0.217 4.857 4.640 0.001 0.000 0.249 108 D C -0.882 175.526 176.300 0.180 0.000 1.134 108 D CA -0.416 53.642 54.000 0.097 0.000 0.863 108 D CB 1.611 42.468 40.800 0.096 0.000 1.143 108 D HN 0.296 nan 8.370 nan 0.000 0.458 109 V N 5.996 125.950 119.914 0.067 0.000 2.353 109 V HA 0.241 4.361 4.120 0.001 0.000 0.264 109 V C 0.674 176.819 176.094 0.086 0.000 1.049 109 V CA -0.429 61.936 62.300 0.108 0.000 0.896 109 V CB 0.351 32.194 31.823 0.034 0.000 1.025 109 V HN 0.428 nan 8.190 nan 0.000 0.475 110 R N 4.329 124.887 120.500 0.096 0.000 2.265 110 R HA 0.679 5.019 4.340 0.001 0.000 0.328 110 R C -0.037 176.295 176.300 0.053 0.000 0.969 110 R CA -0.365 55.776 56.100 0.068 0.000 0.832 110 R CB 1.123 31.454 30.300 0.051 0.000 1.139 110 R HN 0.746 nan 8.270 nan 0.000 0.457 111 A N 4.792 127.649 122.820 0.063 0.000 2.366 111 A HA 0.276 4.596 4.320 0.001 0.000 0.272 111 A C -0.747 176.818 177.584 -0.032 0.000 1.135 111 A CA -0.601 51.438 52.037 0.003 0.000 0.804 111 A CB 0.599 19.630 19.000 0.051 0.000 1.064 111 A HN 0.699 nan 8.150 nan 0.000 0.499 112 L N 3.939 125.094 121.223 -0.114 0.000 2.265 112 L HA 0.408 4.749 4.340 0.001 0.000 0.288 112 L C -0.590 176.155 176.870 -0.208 0.000 1.058 112 L CA 0.317 55.132 54.840 -0.042 0.000 0.809 112 L CB 0.291 42.362 42.059 0.020 0.000 1.179 112 L HN 0.682 nan 8.230 nan 0.000 0.429 113 H N 4.969 124.132 119.070 0.154 0.000 2.658 113 H HA 0.366 4.923 4.556 0.001 0.000 0.337 113 H C -0.575 174.838 175.328 0.142 0.000 1.009 113 H CA -0.306 55.828 56.048 0.143 0.000 1.231 113 H CB 1.770 31.604 29.762 0.119 0.000 1.508 113 H HN 0.746 nan 8.280 nan 0.000 0.517 114 E N 1.032 121.370 120.200 0.230 0.000 2.702 114 E HA 0.002 4.353 4.350 0.001 0.000 0.225 114 E C -0.467 176.221 176.600 0.147 0.000 0.942 114 E CA -0.144 56.354 56.400 0.164 0.000 1.210 114 E CB 1.208 31.006 29.700 0.163 0.000 1.143 114 E HN 0.385 nan 8.360 nan 0.000 0.544 115 D N 1.998 122.498 120.400 0.167 0.000 2.343 115 D HA 0.039 4.679 4.640 0.001 0.000 0.255 115 D C -1.453 174.903 176.300 0.093 0.000 1.187 115 D CA -2.190 51.870 54.000 0.100 0.000 0.875 115 D CB 1.480 42.330 40.800 0.083 0.000 1.136 115 D HN -0.107 nan 8.370 nan 0.000 0.469 116 P HA -0.106 nan 4.420 nan 0.000 0.217 116 P C 0.269 177.581 177.300 0.020 0.000 1.150 116 P CA 0.507 63.634 63.100 0.045 0.000 0.832 116 P CB 0.068 31.788 31.700 0.034 0.000 0.787 117 D N 1.140 121.544 120.400 0.006 0.000 2.451 117 D HA -0.080 4.561 4.640 0.001 0.000 0.254 117 D C 1.364 177.686 176.300 0.038 0.000 1.204 117 D CA 0.147 54.149 54.000 0.002 0.000 0.896 117 D CB 0.615 41.428 40.800 0.021 0.000 1.136 117 D HN 0.154 nan 8.370 nan 0.000 0.499 118 E N 3.939 124.098 120.200 -0.068 0.000 2.150 118 E HA -0.220 4.131 4.350 0.001 0.000 0.193 118 E C 1.740 178.318 176.600 -0.036 0.000 0.985 118 E CA 1.528 57.870 56.400 -0.097 0.000 0.814 118 E CB -0.873 28.644 29.700 -0.305 0.000 0.752 118 E HN 0.517 nan 8.360 nan 0.000 0.466 119 K N 1.273 121.667 120.400 -0.010 0.000 2.062 119 K HA -0.033 4.288 4.320 0.001 0.000 0.205 119 K C 1.980 178.603 176.600 0.038 0.000 1.051 119 K CA 1.136 57.427 56.287 0.007 0.000 0.941 119 K CB -1.331 31.180 32.500 0.019 0.000 0.719 119 K HN 0.181 nan 8.250 nan 0.000 0.440 120 F N 2.160 122.092 119.950 -0.031 0.000 2.031 120 F HA -0.187 4.340 4.527 0.001 0.000 0.295 120 F C 2.509 178.306 175.800 -0.006 0.000 1.133 120 F CA 2.724 60.718 58.000 -0.009 0.000 1.188 120 F CB -0.397 38.603 39.000 0.001 0.000 0.974 120 F HN 0.219 nan 8.300 nan 0.000 0.473 121 T N 0.679 115.357 114.554 0.207 0.000 2.759 121 T HA -0.236 4.115 4.350 0.001 0.000 0.269 121 T C 2.094 176.737 174.700 -0.095 0.000 1.042 121 T CA 1.582 63.733 62.100 0.085 0.000 1.140 121 T CB -0.388 68.561 68.868 0.136 0.000 0.864 121 T HN 0.250 nan 8.240 nan 0.000 0.455 122 R N 0.967 121.417 120.500 -0.082 0.000 2.073 122 R HA -0.056 4.285 4.340 0.001 0.000 0.234 122 R C 2.401 178.619 176.300 -0.136 0.000 1.134 122 R CA 1.400 57.438 56.100 -0.103 0.000 0.952 122 R CB -0.055 30.204 30.300 -0.068 0.000 0.850 122 R HN 0.304 nan 8.270 nan 0.000 0.433 123 K N -0.214 120.091 120.400 -0.159 0.000 2.026 123 K HA -0.102 4.219 4.320 0.001 0.000 0.208 123 K C 2.098 178.569 176.600 -0.214 0.000 1.048 123 K CA 1.426 57.604 56.287 -0.182 0.000 0.929 123 K CB -0.167 32.205 32.500 -0.213 0.000 0.713 123 K HN 0.212 nan 8.250 nan 0.000 0.439 124 A N 1.371 124.012 122.820 -0.298 0.000 1.902 124 A HA -0.167 4.153 4.320 0.001 0.000 0.217 124 A C 2.110 179.646 177.584 -0.081 0.000 1.181 124 A CA 1.345 53.275 52.037 -0.179 0.000 0.623 124 A CB -0.590 18.357 19.000 -0.088 0.000 0.818 124 A HN 0.194 nan 8.150 nan 0.000 0.443 125 I N -1.056 119.361 120.570 -0.255 0.000 2.179 125 I HA -0.240 3.931 4.170 0.001 0.000 0.242 125 I C 2.434 178.490 176.117 -0.102 0.000 1.088 125 I CA 1.320 62.447 61.300 -0.288 0.000 1.357 125 I CB -0.216 37.572 38.000 -0.355 0.000 1.051 125 I HN 0.398 nan 8.210 nan 0.000 0.409 126 L N 0.928 122.094 121.223 -0.094 0.000 2.027 126 L HA -0.213 4.128 4.340 0.001 0.000 0.206 126 L C 2.388 179.236 176.870 -0.036 0.000 1.074 126 L CA 1.930 56.735 54.840 -0.059 0.000 0.745 126 L CB -0.671 41.351 42.059 -0.061 0.000 0.898 126 L HN 0.211 nan 8.230 nan 0.000 0.433 127 E N -0.699 119.477 120.200 -0.040 0.000 2.049 127 E HA -0.188 4.162 4.350 0.001 0.000 0.198 127 E C 2.104 178.710 176.600 0.010 0.000 1.007 127 E CA 1.792 58.181 56.400 -0.019 0.000 0.809 127 E CB -0.795 28.887 29.700 -0.029 0.000 0.749 127 E HN 0.526 nan 8.360 nan 0.000 0.450 128 G N 0.720 109.541 108.800 0.036 0.000 2.459 128 G HA2 -0.259 3.701 3.960 0.001 0.000 0.217 128 G HA3 -0.259 3.701 3.960 0.001 0.000 0.217 128 G C 1.588 176.514 174.900 0.044 0.000 1.183 128 G CA 1.041 46.181 45.100 0.065 0.000 0.776 128 G HN 0.287 nan 8.290 nan 0.000 0.552 129 L N 0.143 121.385 121.223 0.031 0.000 2.187 129 L HA -0.055 4.286 4.340 0.001 0.000 0.213 129 L C 2.700 179.573 176.870 0.005 0.000 1.100 129 L CA 1.078 55.928 54.840 0.017 0.000 0.765 129 L CB -0.278 41.784 42.059 0.004 0.000 0.904 129 L HN 0.319 nan 8.230 nan 0.000 0.437 130 E N -0.301 119.899 120.200 0.001 0.000 2.435 130 E HA -0.035 4.316 4.350 0.001 0.000 0.195 130 E C 0.943 177.544 176.600 0.001 0.000 1.029 130 E CA 0.191 56.590 56.400 -0.003 0.000 0.865 130 E CB 0.304 30.000 29.700 -0.006 0.000 0.833 130 E HN 0.340 nan 8.360 nan 0.000 0.510 131 R N -0.557 119.947 120.500 0.007 0.000 2.865 131 R HA 0.202 4.543 4.340 0.001 0.000 0.370 131 R C 0.310 176.615 176.300 0.008 0.000 1.168 131 R CA 0.271 56.377 56.100 0.009 0.000 1.058 131 R CB 1.019 31.330 30.300 0.019 0.000 1.419 131 R HN 0.205 nan 8.270 nan 0.000 0.580 132 G N -0.267 108.531 108.800 -0.003 0.000 2.213 132 G HA2 -0.260 3.700 3.960 0.001 0.000 0.236 132 G HA3 -0.260 3.700 3.960 0.001 0.000 0.236 132 G C 0.200 175.094 174.900 -0.011 0.000 0.991 132 G CA -0.188 44.903 45.100 -0.015 0.000 0.629 132 G HN 0.187 nan 8.290 nan 0.000 0.517 133 V N 2.459 122.381 119.914 0.014 0.000 2.555 133 V HA 0.431 4.551 4.120 0.001 0.000 0.286 133 V C 1.790 177.895 176.094 0.019 0.000 1.044 133 V CA 1.233 63.550 62.300 0.029 0.000 1.026 133 V CB 1.260 33.121 31.823 0.064 0.000 0.981 133 V HN 0.674 nan 8.190 nan 0.000 0.480 134 T N -0.226 114.337 114.554 0.015 0.000 3.014 134 T HA 0.192 4.542 4.350 0.001 0.000 0.250 134 T C 0.584 175.302 174.700 0.032 0.000 1.060 134 T CA 0.444 62.550 62.100 0.011 0.000 1.040 134 T CB 0.216 69.077 68.868 -0.010 0.000 0.971 134 T HN 0.776 nan 8.240 nan 0.000 0.497 135 S N 0.194 115.924 115.700 0.049 0.000 2.596 135 S HA 0.726 5.196 4.470 0.001 0.000 0.270 135 S C -1.524 173.126 174.600 0.084 0.000 1.155 135 S CA -1.159 57.077 58.200 0.059 0.000 0.827 135 S CB 1.357 64.587 63.200 0.051 0.000 1.130 135 S HN 0.257 nan 8.310 nan 0.000 0.467 136 L N 1.242 122.521 121.223 0.093 0.000 2.334 136 L HA 0.697 5.037 4.340 0.001 0.000 0.276 136 L C -1.352 175.594 176.870 0.127 0.000 1.014 136 L CA -0.994 53.929 54.840 0.137 0.000 0.815 136 L CB 1.744 43.883 42.059 0.134 0.000 1.268 136 L HN 0.694 nan 8.230 nan 0.000 0.428 137 L N 3.985 125.305 121.223 0.162 0.000 2.388 137 L HA 0.531 4.871 4.340 0.001 0.000 0.267 137 L C -1.374 175.665 176.870 0.282 0.000 0.995 137 L CA -0.123 54.814 54.840 0.161 0.000 0.864 137 L CB 1.285 43.378 42.059 0.056 0.000 1.216 137 L HN 0.372 nan 8.230 nan 0.000 0.430 138 L N 4.551 125.946 121.223 0.286 0.000 2.296 138 L HA 0.552 4.893 4.340 0.001 0.000 0.286 138 L C 0.095 177.056 176.870 0.152 0.000 1.023 138 L CA -0.226 54.758 54.840 0.241 0.000 0.812 138 L CB 1.617 43.765 42.059 0.148 0.000 1.223 138 L HN 0.532 nan 8.230 nan 0.000 0.421 139 R N 2.605 123.102 120.500 -0.005 0.000 2.216 139 R HA 0.541 4.882 4.340 0.001 0.000 0.332 139 R C -1.355 174.797 176.300 -0.246 0.000 1.056 139 R CA -0.360 55.442 56.100 -0.496 0.000 0.901 139 R CB 0.642 30.613 30.300 -0.549 0.000 1.039 139 R HN 0.438 nan 8.270 nan 0.000 0.456 140 V N 5.614 125.377 119.914 -0.251 0.000 2.328 140 V HA 0.402 4.522 4.120 0.001 0.000 0.278 140 V C -0.264 175.764 176.094 -0.111 0.000 1.021 140 V CA -0.325 61.905 62.300 -0.117 0.000 0.838 140 V CB 1.219 32.994 31.823 -0.080 0.000 0.999 140 V HN 0.855 nan 8.190 nan 0.000 0.447 141 D N 4.641 125.003 120.400 -0.062 0.000 2.738 141 D HA 0.303 4.943 4.640 0.001 0.000 0.308 141 D C -2.129 174.148 176.300 -0.038 0.000 1.311 141 D CA -0.666 53.324 54.000 -0.016 0.000 0.799 141 D CB 2.304 43.125 40.800 0.035 0.000 1.332 141 D HN 0.147 nan 8.370 nan 0.000 0.441 142 P HA -0.069 nan 4.420 nan 0.000 0.217 142 P C 0.526 177.756 177.300 -0.117 0.000 1.150 142 P CA 1.434 64.446 63.100 -0.146 0.000 0.832 142 P CB 0.188 31.715 31.700 -0.288 0.000 0.787 143 D N -1.568 118.765 120.400 -0.112 0.000 2.342 143 D HA 0.281 4.921 4.640 0.001 0.000 0.221 143 D C 0.770 177.073 176.300 0.005 0.000 1.101 143 D CA -0.293 53.676 54.000 -0.050 0.000 0.837 143 D CB 0.277 41.042 40.800 -0.057 0.000 0.938 143 D HN 0.119 nan 8.370 nan 0.000 0.508 144 A N 0.174 122.993 122.820 -0.001 0.000 3.689 144 A HA 0.559 4.880 4.320 0.001 0.000 0.174 144 A C -0.624 176.977 177.584 0.027 0.000 0.741 144 A CA -0.655 51.391 52.037 0.016 0.000 0.952 144 A CB 0.120 19.104 19.000 -0.027 0.000 1.740 144 A HN 0.072 nan 8.150 nan 0.000 0.770 145 I N 1.543 122.128 120.570 0.025 0.000 2.416 145 I HA 0.418 4.589 4.170 0.001 0.000 0.288 145 I C 0.794 176.940 176.117 0.047 0.000 1.051 145 I CA -0.010 61.324 61.300 0.056 0.000 1.375 145 I CB 1.333 39.369 38.000 0.060 0.000 1.407 145 I HN 0.598 nan 8.210 nan 0.000 0.516 146 A N 8.919 131.795 122.820 0.093 0.000 2.425 146 A HA 0.322 4.643 4.320 0.001 0.000 0.249 146 A C -1.544 176.041 177.584 0.002 0.000 1.084 146 A CA -1.107 50.949 52.037 0.032 0.000 0.781 146 A CB -0.121 18.893 19.000 0.024 0.000 1.019 146 A HN 0.562 nan 8.150 nan 0.000 0.490 147 P HA -0.232 nan 4.420 nan 0.000 0.216 147 P C 1.197 178.469 177.300 -0.047 0.000 1.153 147 P CA 1.772 64.851 63.100 -0.035 0.000 0.858 147 P CB 0.038 31.716 31.700 -0.038 0.000 0.789 148 E N -1.367 118.764 120.200 -0.115 0.000 2.409 148 E HA -0.204 4.147 4.350 0.001 0.000 0.198 148 E C 1.032 177.520 176.600 -0.186 0.000 1.024 148 E CA 1.201 57.501 56.400 -0.168 0.000 0.861 148 E CB -0.951 28.600 29.700 -0.248 0.000 0.788 148 E HN 0.427 nan 8.360 nan 0.000 0.521 149 H N -0.231 118.841 119.070 0.003 0.000 2.586 149 H HA 0.179 4.735 4.556 0.001 0.000 0.273 149 H C 1.759 177.089 175.328 0.003 0.000 0.997 149 H CA -0.148 55.902 56.048 0.004 0.000 1.177 149 H CB 0.415 30.181 29.762 0.007 0.000 1.471 149 H HN 0.115 nan 8.280 nan 0.000 0.538 150 L N 1.291 122.571 121.223 0.096 0.000 1.989 150 L HA -0.168 4.172 4.340 0.001 0.000 0.211 150 L C 2.030 178.929 176.870 0.048 0.000 1.071 150 L CA 2.068 56.945 54.840 0.062 0.000 0.749 150 L CB -0.471 41.612 42.059 0.039 0.000 0.890 150 L HN 0.109 nan 8.230 nan 0.000 0.431 151 D N -1.111 119.314 120.400 0.042 0.000 2.116 151 D HA -0.273 4.368 4.640 0.001 0.000 0.193 151 D C 2.145 178.458 176.300 0.022 0.000 0.998 151 D CA 1.583 55.598 54.000 0.025 0.000 0.836 151 D CB -0.100 40.715 40.800 0.025 0.000 0.951 151 D HN 0.489 nan 8.370 nan 0.000 0.449 152 E N -0.435 119.793 120.200 0.046 0.000 2.077 152 E HA -0.168 4.182 4.350 0.001 0.000 0.193 152 E C 2.300 178.904 176.600 0.006 0.000 0.989 152 E CA 1.516 57.937 56.400 0.033 0.000 0.800 152 E CB 0.056 29.792 29.700 0.059 0.000 0.746 152 E HN 0.398 nan 8.360 nan 0.000 0.452 153 V N -0.962 118.959 119.914 0.010 0.000 2.548 153 V HA -0.132 3.989 4.120 0.001 0.000 0.249 153 V C 2.028 178.097 176.094 -0.041 0.000 1.055 153 V CA 1.199 63.486 62.300 -0.021 0.000 1.065 153 V CB -0.515 31.300 31.823 -0.014 0.000 0.681 153 V HN 0.155 nan 8.190 nan 0.000 0.462 154 L N 0.926 122.132 121.223 -0.028 0.000 2.591 154 L HA 0.135 4.475 4.340 0.001 0.000 0.228 154 L C 2.445 179.283 176.870 -0.052 0.000 1.133 154 L CA 0.526 55.341 54.840 -0.042 0.000 0.880 154 L CB -0.423 41.616 42.059 -0.033 0.000 1.033 154 L HN 0.284 nan 8.230 nan 0.000 0.450 155 S N -0.013 115.662 115.700 -0.042 0.000 2.402 155 S HA -0.178 4.292 4.470 0.001 0.000 0.233 155 S C 1.206 175.778 174.600 -0.046 0.000 1.030 155 S CA 1.365 59.540 58.200 -0.042 0.000 1.003 155 S CB -0.148 63.034 63.200 -0.030 0.000 0.813 155 S HN 0.509 nan 8.310 nan 0.000 0.477 156 D N 0.755 121.126 120.400 -0.049 0.000 2.349 156 D HA 0.142 4.783 4.640 0.001 0.000 0.214 156 D C 0.034 176.305 176.300 -0.048 0.000 1.063 156 D CA 0.159 54.131 54.000 -0.046 0.000 0.847 156 D CB 0.225 40.998 40.800 -0.045 0.000 0.933 156 D HN 0.199 nan 8.370 nan 0.000 0.513 157 V N 2.209 122.090 119.914 -0.056 0.000 2.555 157 V HA 0.063 4.183 4.120 0.001 0.000 0.286 157 V C 0.654 176.709 176.094 -0.064 0.000 1.044 157 V CA -0.231 62.036 62.300 -0.054 0.000 1.026 157 V CB 1.320 33.110 31.823 -0.056 0.000 0.981 157 V HN 0.018 nan 8.190 nan 0.000 0.480 158 L N 6.149 127.343 121.223 -0.047 0.000 2.268 158 L HA 0.288 4.628 4.340 0.001 0.000 0.289 158 L C 1.209 178.048 176.870 -0.053 0.000 1.064 158 L CA -0.298 54.513 54.840 -0.048 0.000 0.824 158 L CB 0.734 42.776 42.059 -0.028 0.000 1.202 158 L HN 0.649 nan 8.230 nan 0.000 0.433 159 L N 2.501 123.663 121.223 -0.102 0.000 2.127 159 L HA -0.190 4.150 4.340 0.001 0.000 0.211 159 L C 2.564 179.424 176.870 -0.016 0.000 1.089 159 L CA 1.060 55.820 54.840 -0.132 0.000 0.757 159 L CB -0.370 41.462 42.059 -0.379 0.000 0.899 159 L HN 0.764 nan 8.230 nan 0.000 0.434 160 E N 0.035 120.236 120.200 0.001 0.000 2.274 160 E HA -0.181 4.170 4.350 0.001 0.000 0.194 160 E C 1.904 178.525 176.600 0.036 0.000 0.996 160 E CA 0.983 57.405 56.400 0.037 0.000 0.840 160 E CB -0.036 29.682 29.700 0.029 0.000 0.772 160 E HN 0.434 nan 8.360 nan 0.000 0.491 161 M N 0.784 120.397 119.600 0.021 0.000 2.556 161 M HA 0.149 4.629 4.480 0.001 0.000 0.264 161 M C 0.625 176.941 176.300 0.026 0.000 1.163 161 M CA 0.785 56.097 55.300 0.019 0.000 1.186 161 M CB -0.398 32.206 32.600 0.007 0.000 1.321 161 M HN -0.157 nan 8.290 nan 0.000 0.485 162 T N 1.883 116.454 114.554 0.029 0.000 2.797 162 T HA 0.354 4.704 4.350 0.001 0.000 0.279 162 T C -0.138 174.606 174.700 0.073 0.000 0.991 162 T CA -0.738 61.386 62.100 0.041 0.000 0.979 162 T CB 2.465 71.351 68.868 0.029 0.000 0.943 162 T HN 0.068 nan 8.240 nan 0.000 0.444 163 K N 2.496 122.938 120.400 0.069 0.000 2.249 163 K HA 0.523 4.844 4.320 0.001 0.000 0.280 163 K C -1.064 175.584 176.600 0.080 0.000 1.033 163 K CA -0.506 55.826 56.287 0.075 0.000 0.946 163 K CB 0.587 33.111 32.500 0.039 0.000 1.005 163 K HN 0.348 nan 8.250 nan 0.000 0.469 164 V N 3.793 123.765 119.914 0.098 0.000 2.495 164 V HA 0.311 4.431 4.120 0.001 0.000 0.298 164 V C -0.568 175.535 176.094 0.015 0.000 1.031 164 V CA -0.737 61.618 62.300 0.092 0.000 0.871 164 V CB 1.468 33.396 31.823 0.176 0.000 0.988 164 V HN 0.891 nan 8.190 nan 0.000 0.432 165 E N 3.317 123.535 120.200 0.030 0.000 2.238 165 E HA 0.774 5.124 4.350 0.001 0.000 0.267 165 E C -1.390 175.249 176.600 0.064 0.000 0.887 165 E CA -0.631 55.772 56.400 0.005 0.000 0.769 165 E CB 2.395 32.092 29.700 -0.006 0.000 1.187 165 E HN 0.617 nan 8.360 nan 0.000 0.416 166 V N 1.104 121.048 119.914 0.050 0.000 2.962 166 V HA 0.863 4.983 4.120 0.001 0.000 0.313 166 V C -0.818 175.384 176.094 0.179 0.000 1.099 166 V CA -0.827 61.534 62.300 0.102 0.000 0.971 166 V CB 1.147 32.968 31.823 -0.002 0.000 1.028 166 V HN 0.703 nan 8.190 nan 0.000 0.430 167 F N 0.272 120.184 119.950 -0.064 0.000 2.645 167 F HA 0.921 5.448 4.527 0.001 0.000 0.310 167 F C -0.599 175.170 175.800 -0.052 0.000 1.102 167 F CA -0.611 57.345 58.000 -0.073 0.000 0.952 167 F CB 1.808 40.776 39.000 -0.054 0.000 1.326 167 F HN 0.805 nan 8.300 nan 0.000 0.456 168 S N 0.996 116.615 115.700 -0.135 0.000 2.546 168 S HA 0.479 4.949 4.470 0.001 0.000 0.272 168 S C -0.263 174.275 174.600 -0.103 0.000 1.140 168 S CA -0.794 57.281 58.200 -0.210 0.000 0.920 168 S CB 2.079 65.201 63.200 -0.129 0.000 1.083 168 S HN 0.897 nan 8.310 nan 0.000 0.476 169 R N 2.002 122.401 120.500 -0.168 0.000 2.189 169 R HA 0.186 4.526 4.340 0.001 0.000 0.203 169 R C 0.478 176.573 176.300 -0.342 0.000 1.012 169 R CA 0.820 56.741 56.100 -0.297 0.000 1.015 169 R CB 0.074 30.037 30.300 -0.562 0.000 0.938 169 R HN 0.736 nan 8.270 nan 0.000 0.472 170 Y N -1.065 119.258 120.300 0.039 0.000 2.442 170 Y HA 0.213 4.764 4.550 0.001 0.000 0.250 170 Y C -0.056 175.946 175.900 0.169 0.000 1.113 170 Y CA -0.275 57.901 58.100 0.125 0.000 1.273 170 Y CB 0.980 39.436 38.460 -0.007 0.000 1.138 170 Y HN -0.159 nan 8.280 nan 0.000 0.522 171 D N -0.439 120.036 120.400 0.126 0.000 2.491 171 D HA 0.076 4.717 4.640 0.001 0.000 0.232 171 D C 0.065 176.266 176.300 -0.165 0.000 1.334 171 D CA 0.014 53.978 54.000 -0.060 0.000 0.909 171 D CB 0.359 41.160 40.800 0.002 0.000 1.513 171 D HN 0.125 nan 8.370 nan 0.000 0.514 172 Q N 0.908 120.517 119.800 -0.319 0.000 2.119 172 Q HA 0.011 4.351 4.340 0.001 0.000 0.201 172 Q C 1.873 177.689 176.000 -0.305 0.000 0.972 172 Q CA 1.344 56.965 55.803 -0.303 0.000 0.847 172 Q CB 0.302 28.819 28.738 -0.368 0.000 0.903 172 Q HN 0.520 nan 8.270 nan 0.000 0.433 173 G N 0.857 109.522 108.800 -0.225 0.000 2.402 173 G HA2 -0.195 3.766 3.960 0.001 0.000 0.216 173 G HA3 -0.195 3.766 3.960 0.001 0.000 0.216 173 G C 1.500 176.387 174.900 -0.022 0.000 1.162 173 G CA 0.803 45.870 45.100 -0.056 0.000 0.777 173 G HN 0.403 nan 8.290 nan 0.000 0.539 174 A N 1.025 123.818 122.820 -0.044 0.000 1.930 174 A HA 0.357 4.677 4.320 0.001 0.000 0.217 174 A C 2.768 180.318 177.584 -0.057 0.000 1.175 174 A CA 2.068 54.091 52.037 -0.023 0.000 0.627 174 A CB -0.639 18.345 19.000 -0.026 0.000 0.815 174 A HN 0.674 nan 8.150 nan 0.000 0.443 175 A N -0.035 122.720 122.820 -0.109 0.000 1.855 175 A HA 0.218 4.539 4.320 0.001 0.000 0.215 175 A C 2.526 180.016 177.584 -0.157 0.000 1.191 175 A CA 1.953 53.920 52.037 -0.117 0.000 0.613 175 A CB -1.108 17.812 19.000 -0.134 0.000 0.829 175 A HN 1.027 nan 8.150 nan 0.000 0.442 176 A N -0.287 122.357 122.820 -0.293 0.000 1.908 176 A HA -0.186 4.135 4.320 0.001 0.000 0.218 176 A C 1.982 179.422 177.584 -0.240 0.000 1.181 176 A CA 2.285 54.044 52.037 -0.463 0.000 0.627 176 A CB -0.505 17.839 19.000 -1.095 0.000 0.818 176 A HN 0.541 nan 8.150 nan 0.000 0.445 177 E N 0.309 120.503 120.200 -0.010 0.000 2.051 177 E HA -0.060 4.291 4.350 0.001 0.000 0.192 177 E C 2.028 178.694 176.600 0.110 0.000 0.991 177 E CA 1.676 58.210 56.400 0.223 0.000 0.799 177 E CB -0.539 29.308 29.700 0.245 0.000 0.748 177 E HN 0.454 nan 8.360 nan 0.000 0.449 178 A N 0.333 123.179 122.820 0.042 0.000 1.902 178 A HA -0.128 4.193 4.320 0.001 0.000 0.217 178 A C 2.219 179.831 177.584 0.046 0.000 1.181 178 A CA 1.555 53.613 52.037 0.034 0.000 0.623 178 A CB -0.767 18.237 19.000 0.006 0.000 0.818 178 A HN 0.379 nan 8.150 nan 0.000 0.443 179 L N 0.476 121.710 121.223 0.018 0.000 2.044 179 L HA -0.098 4.243 4.340 0.001 0.000 0.205 179 L C 2.569 179.481 176.870 0.070 0.000 1.075 179 L CA 2.298 57.160 54.840 0.037 0.000 0.747 179 L CB -0.505 41.521 42.059 -0.054 0.000 0.903 179 L HN 0.343 nan 8.230 nan 0.000 0.435 180 V N -3.709 116.229 119.914 0.040 0.000 2.407 180 V HA -0.194 3.926 4.120 0.001 0.000 0.248 180 V C 2.351 178.562 176.094 0.196 0.000 1.055 180 V CA 1.858 64.217 62.300 0.099 0.000 1.049 180 V CB -1.508 30.451 31.823 0.226 0.000 0.662 180 V HN 0.441 nan 8.190 nan 0.000 0.455 181 S N 0.887 116.686 115.700 0.164 0.000 2.359 181 S HA -0.163 4.307 4.470 0.001 0.000 0.224 181 S C 2.047 176.729 174.600 0.136 0.000 1.035 181 S CA 1.724 60.010 58.200 0.142 0.000 1.018 181 S CB -0.607 62.654 63.200 0.100 0.000 0.876 181 S HN 0.493 nan 8.310 nan 0.000 0.448 182 V N 0.579 120.569 119.914 0.126 0.000 2.287 182 V HA -0.224 3.896 4.120 0.001 0.000 0.248 182 V C 2.021 178.145 176.094 0.050 0.000 1.053 182 V CA 1.781 64.124 62.300 0.072 0.000 1.027 182 V CB -0.891 30.961 31.823 0.048 0.000 0.646 182 V HN 0.457 nan 8.190 nan 0.000 0.447 183 Y N 0.481 120.770 120.300 -0.018 0.000 2.242 183 Y HA -0.171 4.380 4.550 0.001 0.000 0.291 183 Y C 2.566 178.574 175.900 0.180 0.000 1.137 183 Y CA 1.675 59.762 58.100 -0.022 0.000 1.181 183 Y CB -0.340 37.905 38.460 -0.359 0.000 0.989 183 Y HN 0.312 nan 8.280 nan 0.000 0.527 184 E N -0.288 120.142 120.200 0.382 0.000 2.106 184 E HA -0.162 4.188 4.350 0.001 0.000 0.192 184 E C 1.959 178.664 176.600 0.175 0.000 0.984 184 E CA 0.798 57.390 56.400 0.320 0.000 0.806 184 E CB -0.065 29.791 29.700 0.261 0.000 0.750 184 E HN 0.383 nan 8.360 nan 0.000 0.458 185 R N 0.540 121.112 120.500 0.119 0.000 2.313 185 R HA 0.089 4.429 4.340 0.001 0.000 0.199 185 R C 0.942 177.266 176.300 0.040 0.000 0.958 185 R CA -0.079 56.060 56.100 0.066 0.000 1.047 185 R CB 0.187 30.513 30.300 0.044 0.000 0.955 185 R HN -0.068 nan 8.270 nan 0.000 0.481 186 S N 1.602 117.325 115.700 0.037 0.000 2.585 186 S HA -0.021 4.450 4.470 0.001 0.000 0.273 186 S C 0.391 175.008 174.600 0.029 0.000 1.339 186 S CA -0.631 57.569 58.200 0.000 0.000 1.028 186 S CB 0.949 64.126 63.200 -0.038 0.000 0.906 186 S HN 0.324 nan 8.310 nan 0.000 0.528 187 D N 1.380 121.788 120.400 0.014 0.000 2.395 187 D HA 0.281 4.921 4.640 0.001 0.000 0.226 187 D C -0.270 176.044 176.300 0.023 0.000 1.146 187 D CA -0.287 53.725 54.000 0.020 0.000 0.830 187 D CB 0.043 40.850 40.800 0.011 0.000 0.958 187 D HN 0.108 nan 8.370 nan 0.000 0.501 188 K N 1.215 121.634 120.400 0.031 0.000 2.123 188 K HA 0.447 4.768 4.320 0.001 0.000 0.259 188 K C -2.506 174.135 176.600 0.068 0.000 0.960 188 K CA -2.476 53.834 56.287 0.039 0.000 0.872 188 K CB 0.994 33.514 32.500 0.033 0.000 1.079 188 K HN -0.087 nan 8.250 nan 0.000 0.440 189 P HA -0.026 nan 4.420 nan 0.000 0.261 189 P C -0.040 177.328 177.300 0.112 0.000 1.203 189 P CA 0.152 63.292 63.100 0.067 0.000 0.767 189 P CB 0.813 32.543 31.700 0.050 0.000 0.785 190 A N 4.934 127.827 122.820 0.121 0.000 1.929 190 A HA -0.310 4.011 4.320 0.001 0.000 0.221 190 A C 2.104 179.829 177.584 0.235 0.000 1.211 190 A CA 2.223 54.374 52.037 0.191 0.000 0.657 190 A CB -0.985 17.953 19.000 -0.104 0.000 0.827 190 A HN 0.402 nan 8.150 nan 0.000 0.462 191 K N -0.393 120.075 120.400 0.113 0.000 2.360 191 K HA -0.125 4.195 4.320 0.001 0.000 0.201 191 K C 0.601 177.281 176.600 0.134 0.000 1.046 191 K CA 1.502 57.855 56.287 0.111 0.000 0.945 191 K CB -0.213 32.320 32.500 0.055 0.000 0.750 191 K HN 0.547 nan 8.250 nan 0.000 0.464 192 D N -0.681 119.801 120.400 0.137 0.000 2.350 192 D HA 0.065 4.705 4.640 0.001 0.000 0.213 192 D C -0.320 176.069 176.300 0.149 0.000 1.031 192 D CA 0.327 54.398 54.000 0.118 0.000 0.861 192 D CB 0.240 41.093 40.800 0.089 0.000 0.926 192 D HN 0.126 nan 8.370 nan 0.000 0.520 193 L N 0.882 122.243 121.223 0.229 0.000 2.272 193 L HA 0.655 4.996 4.340 0.001 0.000 0.289 193 L C -0.049 176.946 176.870 0.208 0.000 1.032 193 L CA -0.984 54.020 54.840 0.273 0.000 0.810 193 L CB 1.583 43.888 42.059 0.409 0.000 1.205 193 L HN -0.180 nan 8.230 nan 0.000 0.422 194 A N 5.587 128.492 122.820 0.142 0.000 2.330 194 A HA 0.938 5.259 4.320 0.001 0.000 0.327 194 A C -0.619 176.882 177.584 -0.139 0.000 1.155 194 A CA -0.498 51.545 52.037 0.010 0.000 0.803 194 A CB 1.409 20.433 19.000 0.039 0.000 1.208 194 A HN 0.756 nan 8.150 nan 0.000 0.477 195 L N -0.520 120.505 121.223 -0.330 0.000 2.469 195 L HA 0.802 5.143 4.340 0.001 0.000 0.256 195 L C -1.491 175.203 176.870 -0.294 0.000 1.006 195 L CA -1.127 53.429 54.840 -0.475 0.000 0.832 195 L CB 2.207 43.569 42.059 -1.163 0.000 1.421 195 L HN 0.407 nan 8.230 nan 0.000 0.410 196 N N 1.314 119.878 118.700 -0.227 0.000 2.354 196 N HA 0.545 5.286 4.740 0.001 0.000 0.287 196 N C 0.307 175.703 175.510 -0.190 0.000 1.016 196 N CA -0.628 52.322 53.050 -0.168 0.000 0.871 196 N CB 2.491 40.911 38.487 -0.112 0.000 1.299 196 N HN 0.747 nan 8.380 nan 0.000 0.482 197 L N 0.696 121.789 121.223 -0.217 0.000 2.341 197 L HA 0.189 4.529 4.340 0.001 0.000 0.214 197 L C 1.268 177.983 176.870 -0.259 0.000 1.115 197 L CA 0.472 55.144 54.840 -0.280 0.000 0.820 197 L CB -0.211 41.623 42.059 -0.375 0.000 0.944 197 L HN 0.847 nan 8.230 nan 0.000 0.452 198 G N 0.330 109.012 108.800 -0.195 0.000 2.148 198 G HA2 -0.241 3.720 3.960 0.001 0.000 0.254 198 G HA3 -0.241 3.720 3.960 0.001 0.000 0.254 198 G C 0.207 175.000 174.900 -0.180 0.000 0.981 198 G CA -0.347 44.669 45.100 -0.139 0.000 0.670 198 G HN 0.081 nan 8.290 nan 0.000 0.528 199 L N 0.699 121.756 121.223 -0.276 0.000 2.490 199 L HA 0.488 4.828 4.340 0.001 0.000 0.274 199 L C 0.363 177.103 176.870 -0.217 0.000 1.201 199 L CA 0.989 55.651 54.840 -0.297 0.000 0.869 199 L CB 0.994 42.827 42.059 -0.377 0.000 1.123 199 L HN 0.378 nan 8.230 nan 0.000 0.484 200 D N 4.271 124.583 120.400 -0.146 0.000 2.826 200 D HA 0.216 4.857 4.640 0.001 0.000 0.239 200 D C -1.909 174.449 176.300 0.097 0.000 1.329 200 D CA -0.777 53.222 54.000 -0.002 0.000 0.854 200 D CB 1.270 42.111 40.800 0.068 0.000 1.494 200 D HN 0.117 nan 8.370 nan 0.000 0.540 201 P HA -0.099 nan 4.420 nan 0.000 0.215 201 P C 1.778 179.234 177.300 0.262 0.000 1.153 201 P CA 0.809 63.992 63.100 0.138 0.000 0.853 201 P CB 0.582 32.320 31.700 0.063 0.000 0.788 202 I N -0.375 120.401 120.570 0.343 0.000 2.202 202 I HA -0.127 4.044 4.170 0.001 0.000 0.242 202 I C 2.709 178.936 176.117 0.183 0.000 1.091 202 I CA 1.690 63.130 61.300 0.232 0.000 1.368 202 I CB -1.318 36.786 38.000 0.173 0.000 1.058 202 I HN -0.010 nan 8.210 nan 0.000 0.410 203 G N 0.884 109.797 108.800 0.189 0.000 2.446 203 G HA2 -0.329 3.632 3.960 0.001 0.000 0.217 203 G HA3 -0.329 3.632 3.960 0.001 0.000 0.217 203 G C 1.622 176.536 174.900 0.023 0.000 1.168 203 G CA 0.685 45.827 45.100 0.069 0.000 0.771 203 G HN 0.334 nan 8.290 nan 0.000 0.551 204 F N 2.548 122.467 119.950 -0.052 0.000 2.069 204 F HA -0.048 4.479 4.527 0.001 0.000 0.298 204 F C 2.817 178.556 175.800 -0.101 0.000 1.113 204 F CA 1.680 59.620 58.000 -0.100 0.000 1.214 204 F CB -0.498 38.457 39.000 -0.076 0.000 0.978 204 F HN 0.236 nan 8.300 nan 0.000 0.474 205 A N 0.468 123.236 122.820 -0.086 0.000 1.908 205 A HA -0.122 4.198 4.320 0.001 0.000 0.218 205 A C 2.418 179.897 177.584 -0.175 0.000 1.181 205 A CA 2.129 54.089 52.037 -0.128 0.000 0.627 205 A CB -1.656 17.373 19.000 0.048 0.000 0.818 205 A HN 0.585 nan 8.150 nan 0.000 0.445 206 A N -0.537 122.216 122.820 -0.112 0.000 1.898 206 A HA 0.013 4.334 4.320 0.001 0.000 0.216 206 A C 2.173 179.629 177.584 -0.214 0.000 1.181 206 A CA 1.434 53.413 52.037 -0.096 0.000 0.620 206 A CB -0.517 18.494 19.000 0.018 0.000 0.819 206 A HN 0.472 nan 8.150 nan 0.000 0.442 207 L N -1.043 119.977 121.223 -0.339 0.000 2.109 207 L HA -0.145 4.195 4.340 0.001 0.000 0.207 207 L C 2.525 179.094 176.870 -0.502 0.000 1.086 207 L CA 0.983 55.537 54.840 -0.477 0.000 0.760 207 L CB -0.289 41.418 42.059 -0.588 0.000 0.910 207 L HN 0.372 nan 8.230 nan 0.000 0.437 208 Q N -0.496 118.962 119.800 -0.570 0.000 2.396 208 Q HA 0.133 4.474 4.340 0.001 0.000 0.209 208 Q C 1.358 177.178 176.000 -0.300 0.000 0.906 208 Q CA 0.828 56.334 55.803 -0.494 0.000 0.927 208 Q CB 0.683 28.984 28.738 -0.727 0.000 1.069 208 Q HN 0.524 nan 8.270 nan 0.000 0.523 209 G N 2.219 110.871 108.800 -0.247 0.000 2.160 209 G HA2 -0.264 3.697 3.960 0.001 0.000 0.244 209 G HA3 -0.264 3.697 3.960 0.001 0.000 0.244 209 G C 0.369 175.205 174.900 -0.107 0.000 1.022 209 G CA 0.714 45.727 45.100 -0.146 0.000 0.741 209 G HN 0.438 nan 8.290 nan 0.000 0.508 210 T N -3.960 110.524 114.554 -0.116 0.000 2.889 210 T HA 0.860 5.211 4.350 0.001 0.000 0.278 210 T C 0.145 174.841 174.700 -0.008 0.000 0.995 210 T CA 0.484 62.556 62.100 -0.046 0.000 0.966 210 T CB 1.640 70.495 68.868 -0.022 0.000 1.237 210 T HN 1.436 nan 8.240 nan 0.000 0.591 211 E N 0.793 121.010 120.200 0.028 0.000 2.227 211 E HA 0.526 4.877 4.350 0.001 0.000 0.282 211 E C -2.808 173.839 176.600 0.079 0.000 1.015 211 E CA -2.549 53.876 56.400 0.041 0.000 0.823 211 E CB -0.653 29.070 29.700 0.037 0.000 1.081 211 E HN 0.682 nan 8.360 nan 0.000 0.396 212 P HA 0.221 nan 4.420 nan 0.000 0.266 212 P C -1.045 176.322 177.300 0.111 0.000 1.215 212 P CA -0.006 63.167 63.100 0.121 0.000 0.763 212 P CB 0.722 32.494 31.700 0.121 0.000 0.806 213 D N 3.347 123.816 120.400 0.114 0.000 2.460 213 D HA 0.185 4.826 4.640 0.001 0.000 0.232 213 D C 0.203 176.543 176.300 0.067 0.000 1.079 213 D CA -0.401 53.647 54.000 0.081 0.000 0.864 213 D CB 0.471 41.310 40.800 0.064 0.000 1.048 213 D HN -0.001 nan 8.370 nan 0.000 0.523 214 L N 2.781 124.049 121.223 0.076 0.000 2.592 214 L HA 0.089 4.429 4.340 0.001 0.000 0.227 214 L C 2.437 179.332 176.870 0.043 0.000 1.127 214 L CA 0.573 55.448 54.840 0.059 0.000 0.884 214 L CB -0.263 41.870 42.059 0.124 0.000 1.065 214 L HN 0.528 nan 8.230 nan 0.000 0.457 215 T N -3.591 110.990 114.554 0.045 0.000 3.007 215 T HA -0.083 4.268 4.350 0.001 0.000 0.270 215 T C 1.289 176.006 174.700 0.028 0.000 1.107 215 T CA 1.220 63.344 62.100 0.040 0.000 1.118 215 T CB -0.399 68.489 68.868 0.033 0.000 0.889 215 T HN 0.171 nan 8.240 nan 0.000 0.506 216 V N -1.464 118.467 119.914 0.029 0.000 3.376 216 V HA 0.456 4.577 4.120 0.001 0.000 0.313 216 V C 1.956 178.089 176.094 0.065 0.000 1.393 216 V CA -0.312 61.994 62.300 0.010 0.000 1.125 216 V CB -1.083 30.729 31.823 -0.019 0.000 1.037 216 V HN 0.354 nan 8.190 nan 0.000 0.440 217 L N 1.650 122.907 121.223 0.057 0.000 1.994 217 L HA 0.029 4.370 4.340 0.001 0.000 0.208 217 L C 2.870 179.747 176.870 0.011 0.000 1.071 217 L CA 2.147 57.004 54.840 0.028 0.000 0.745 217 L CB -1.156 40.837 42.059 -0.111 0.000 0.892 217 L HN 0.479 nan 8.230 nan 0.000 0.431 218 G N -0.135 108.679 108.800 0.023 0.000 2.513 218 G HA2 -0.333 3.627 3.960 0.001 0.000 0.219 218 G HA3 -0.333 3.627 3.960 0.001 0.000 0.219 218 G C 1.135 176.120 174.900 0.141 0.000 1.160 218 G CA 1.308 46.495 45.100 0.146 0.000 0.767 218 G HN 0.324 nan 8.290 nan 0.000 0.571 219 D N 0.012 120.419 120.400 0.012 0.000 2.123 219 D HA -0.106 4.535 4.640 0.001 0.000 0.196 219 D C 2.132 178.320 176.300 -0.187 0.000 0.992 219 D CA 0.800 54.719 54.000 -0.135 0.000 0.833 219 D CB -0.384 40.252 40.800 -0.273 0.000 0.954 219 D HN 0.653 nan 8.370 nan 0.000 0.455 220 W N 0.674 121.959 121.300 -0.024 0.000 2.381 220 W HA -0.121 4.540 4.660 0.001 0.000 0.301 220 W C 2.487 178.982 176.519 -0.040 0.000 1.205 220 W CA 0.247 57.566 57.345 -0.044 0.000 1.285 220 W CB -0.490 28.916 29.460 -0.090 0.000 1.133 220 W HN -0.196 nan 8.180 nan 0.000 0.521 221 V N 0.715 120.704 119.914 0.126 0.000 2.287 221 V HA -0.336 3.784 4.120 0.001 0.000 0.248 221 V C 2.208 178.378 176.094 0.128 0.000 1.053 221 V CA 1.940 64.252 62.300 0.019 0.000 1.027 221 V CB -0.895 30.742 31.823 -0.310 0.000 0.646 221 V HN 0.182 nan 8.190 nan 0.000 0.447 222 R N -0.379 120.230 120.500 0.183 0.000 2.096 222 R HA -0.171 4.169 4.340 0.001 0.000 0.235 222 R C 2.511 178.865 176.300 0.090 0.000 1.127 222 R CA 1.559 57.754 56.100 0.158 0.000 0.968 222 R CB -0.341 30.037 30.300 0.130 0.000 0.861 222 R HN 0.321 nan 8.270 nan 0.000 0.440 223 R N 0.919 121.468 120.500 0.082 0.000 2.152 223 R HA -0.041 4.300 4.340 0.001 0.000 0.232 223 R C 1.745 178.166 176.300 0.202 0.000 1.117 223 R CA 1.175 57.340 56.100 0.108 0.000 0.981 223 R CB -0.208 30.161 30.300 0.115 0.000 0.870 223 R HN 0.205 nan 8.270 nan 0.000 0.451 224 L N -0.466 120.901 121.223 0.239 0.000 2.509 224 L HA 0.178 4.519 4.340 0.001 0.000 0.222 224 L C 2.136 179.126 176.870 0.200 0.000 1.123 224 L CA 0.512 55.546 54.840 0.323 0.000 0.856 224 L CB -0.339 41.851 42.059 0.219 0.000 0.985 224 L HN 0.287 nan 8.230 nan 0.000 0.456 225 A N 1.818 124.698 122.820 0.099 0.000 1.927 225 A HA -0.284 4.036 4.320 0.001 0.000 0.220 225 A C 2.214 179.784 177.584 -0.023 0.000 1.185 225 A CA 2.370 54.439 52.037 0.053 0.000 0.639 225 A CB -0.400 18.632 19.000 0.053 0.000 0.820 225 A HN 0.574 nan 8.150 nan 0.000 0.451 226 K N -1.557 118.744 120.400 -0.165 0.000 2.365 226 K HA 0.086 4.407 4.320 0.001 0.000 0.199 226 K C 0.192 176.588 176.600 -0.340 0.000 1.045 226 K CA 0.501 56.611 56.287 -0.295 0.000 0.962 226 K CB -0.330 31.898 32.500 -0.453 0.000 0.759 226 K HN 0.430 nan 8.250 nan 0.000 0.469 227 F N 1.836 121.813 119.950 0.045 0.000 2.348 227 F HA 0.129 4.656 4.527 0.001 0.000 0.308 227 F C 1.311 177.136 175.800 0.040 0.000 1.175 227 F CA -1.179 56.850 58.000 0.047 0.000 1.080 227 F CB 0.569 39.584 39.000 0.025 0.000 1.341 227 F HN -0.102 nan 8.300 nan 0.000 0.518 228 S N 1.931 117.797 115.700 0.277 0.000 2.559 228 S HA 0.027 4.497 4.470 0.001 0.000 0.282 228 S C -1.463 173.213 174.600 0.126 0.000 1.336 228 S CA -1.085 57.209 58.200 0.157 0.000 1.037 228 S CB 0.521 63.800 63.200 0.132 0.000 0.853 228 S HN 0.399 nan 8.310 nan 0.000 0.523 229 P HA 0.081 nan 4.420 nan 0.000 0.242 229 P C 0.078 177.418 177.300 0.067 0.000 1.197 229 P CA 0.549 63.696 63.100 0.078 0.000 0.765 229 P CB -0.022 31.720 31.700 0.071 0.000 0.936 230 D N -0.767 119.669 120.400 0.060 0.000 2.305 230 D HA 0.005 4.646 4.640 0.001 0.000 0.206 230 D C 0.524 176.837 176.300 0.021 0.000 0.974 230 D CA 0.596 54.623 54.000 0.045 0.000 0.871 230 D CB -0.299 40.528 40.800 0.046 0.000 0.947 230 D HN 0.061 nan 8.370 nan 0.000 0.516 231 S N 1.654 117.366 115.700 0.020 0.000 2.533 231 S HA 0.225 4.696 4.470 0.001 0.000 0.282 231 S C 0.362 174.951 174.600 -0.019 0.000 1.304 231 S CA -0.224 57.964 58.200 -0.019 0.000 1.063 231 S CB 0.821 64.028 63.200 0.012 0.000 0.881 231 S HN 0.039 nan 8.310 nan 0.000 0.493 232 R N 1.491 121.956 120.500 -0.058 0.000 2.561 232 R HA 0.546 4.886 4.340 0.001 0.000 0.297 232 R C 0.410 176.648 176.300 -0.103 0.000 0.969 232 R CA -0.727 55.331 56.100 -0.070 0.000 0.879 232 R CB 1.299 31.550 30.300 -0.081 0.000 1.178 232 R HN 0.625 nan 8.270 nan 0.000 0.445 233 A N 2.107 124.864 122.820 -0.106 0.000 2.063 233 A HA 0.178 4.499 4.320 0.001 0.000 0.211 233 A C 0.494 177.963 177.584 -0.191 0.000 1.177 233 A CA 0.503 52.460 52.037 -0.133 0.000 0.759 233 A CB 0.638 19.594 19.000 -0.074 0.000 0.857 233 A HN 0.298 nan 8.150 nan 0.000 0.468 234 V N 1.038 120.840 119.914 -0.187 0.000 2.435 234 V HA 0.466 4.587 4.120 0.001 0.000 0.290 234 V C -0.498 175.473 176.094 -0.205 0.000 1.030 234 V CA -0.234 61.935 62.300 -0.217 0.000 0.881 234 V CB 1.491 33.174 31.823 -0.233 0.000 0.983 234 V HN 0.224 nan 8.190 nan 0.000 0.445 235 T N 6.077 120.522 114.554 -0.183 0.000 2.892 235 T HA 0.510 4.861 4.350 0.001 0.000 0.311 235 T C -0.114 174.500 174.700 -0.143 0.000 1.033 235 T CA -0.153 61.838 62.100 -0.182 0.000 0.991 235 T CB 0.515 69.299 68.868 -0.141 0.000 0.981 235 T HN 0.394 nan 8.240 nan 0.000 0.457 236 I N 3.302 123.728 120.570 -0.239 0.000 2.406 236 I HA 0.071 4.242 4.170 0.001 0.000 0.293 236 I C 0.564 176.656 176.117 -0.041 0.000 1.101 236 I CA -0.155 61.069 61.300 -0.127 0.000 1.334 236 I CB 0.298 38.086 38.000 -0.354 0.000 1.421 236 I HN 0.487 nan 8.210 nan 0.000 0.513 237 D N 6.666 127.076 120.400 0.017 0.000 2.453 237 D HA 0.215 4.856 4.640 0.001 0.000 0.223 237 D C 0.871 177.214 176.300 0.071 0.000 1.183 237 D CA -0.037 53.970 54.000 0.011 0.000 0.933 237 D CB 1.319 42.118 40.800 -0.002 0.000 1.038 237 D HN 0.648 nan 8.370 nan 0.000 0.513 238 A N 4.021 126.914 122.820 0.122 0.000 2.119 238 A HA -0.122 4.198 4.320 0.001 0.000 0.216 238 A C 1.931 179.625 177.584 0.183 0.000 1.152 238 A CA 0.333 52.511 52.037 0.236 0.000 0.708 238 A CB -0.346 18.770 19.000 0.193 0.000 0.805 238 A HN 0.667 nan 8.150 nan 0.000 0.460 239 N N 0.213 118.945 118.700 0.053 0.000 2.289 239 N HA -0.117 4.624 4.740 0.001 0.000 0.184 239 N C 1.610 177.098 175.510 -0.036 0.000 1.016 239 N CA 1.038 54.085 53.050 -0.005 0.000 0.872 239 N CB -0.148 38.283 38.487 -0.092 0.000 0.973 239 N HN 0.550 nan 8.380 nan 0.000 0.433 240 I N 0.354 120.902 120.570 -0.038 0.000 2.127 240 I HA -0.314 3.856 4.170 0.001 0.000 0.241 240 I C 1.623 177.712 176.117 -0.047 0.000 1.075 240 I CA 1.394 62.698 61.300 0.007 0.000 1.334 240 I CB -0.368 37.529 38.000 -0.172 0.000 1.040 240 I HN 0.184 nan 8.210 nan 0.000 0.405 241 Y N -0.861 119.582 120.300 0.239 0.000 2.242 241 Y HA -0.301 4.250 4.550 0.001 0.000 0.291 241 Y C 2.709 178.705 175.900 0.160 0.000 1.137 241 Y CA 1.681 59.948 58.100 0.277 0.000 1.181 241 Y CB -0.789 37.936 38.460 0.441 0.000 0.989 241 Y HN 0.235 nan 8.280 nan 0.000 0.527 242 H N 0.666 119.805 119.070 0.115 0.000 2.290 242 H HA -0.173 4.383 4.556 0.001 0.000 0.298 242 H C 1.796 177.084 175.328 -0.068 0.000 1.087 242 H CA 2.243 58.294 56.048 0.005 0.000 1.291 242 H CB -0.272 29.460 29.762 -0.051 0.000 1.369 242 H HN 0.130 nan 8.280 nan 0.000 0.492 243 N N 0.183 118.731 118.700 -0.253 0.000 2.289 243 N HA -0.087 4.653 4.740 0.001 0.000 0.184 243 N C 1.559 176.878 175.510 -0.318 0.000 1.016 243 N CA 1.147 53.885 53.050 -0.521 0.000 0.872 243 N CB -0.452 37.060 38.487 -1.624 0.000 0.973 243 N HN 0.559 nan 8.380 nan 0.000 0.433 244 A N -0.635 122.163 122.820 -0.037 0.000 2.238 244 A HA 0.447 4.768 4.320 0.001 0.000 0.208 244 A C 1.484 179.157 177.584 0.148 0.000 1.177 244 A CA 0.872 53.038 52.037 0.214 0.000 0.804 244 A CB -0.122 19.082 19.000 0.341 0.000 0.823 244 A HN 0.322 nan 8.150 nan 0.000 0.482 245 G N -2.364 106.459 108.800 0.038 0.000 2.192 245 G HA2 0.190 4.150 3.960 0.001 0.000 0.193 245 G HA3 0.190 4.150 3.960 0.001 0.000 0.193 245 G C 0.370 175.271 174.900 0.002 0.000 0.999 245 G CA 0.024 45.127 45.100 0.004 0.000 0.659 245 G HN 1.419 nan 8.290 nan 0.000 0.503 246 A N 0.407 123.253 122.820 0.044 0.000 2.407 246 A HA 0.746 5.066 4.320 0.001 0.000 0.248 246 A C 1.278 178.848 177.584 -0.023 0.000 1.082 246 A CA 1.166 53.206 52.037 0.005 0.000 0.785 246 A CB 0.416 19.432 19.000 0.026 0.000 1.020 246 A HN 1.625 nan 8.150 nan 0.000 0.489 247 G N -0.236 108.532 108.800 -0.052 0.000 2.531 247 G HA2 0.324 4.284 3.960 0.001 0.000 0.253 247 G HA3 0.324 4.284 3.960 0.001 0.000 0.253 247 G C 0.339 175.227 174.900 -0.020 0.000 1.439 247 G CA 0.194 45.285 45.100 -0.014 0.000 1.056 247 G HN 0.674 nan 8.290 nan 0.000 0.555 248 D N -1.036 119.356 120.400 -0.013 0.000 2.097 248 D HA -0.124 4.517 4.640 0.001 0.000 0.197 248 D C 2.798 179.048 176.300 -0.083 0.000 0.984 248 D CA 1.082 55.063 54.000 -0.032 0.000 0.826 248 D CB -0.185 40.607 40.800 -0.013 0.000 0.973 248 D HN 0.064 nan 8.370 nan 0.000 0.460 249 V N 2.123 121.981 119.914 -0.094 0.000 2.233 249 V HA -0.271 3.850 4.120 0.001 0.000 0.247 249 V C 2.699 178.631 176.094 -0.270 0.000 1.050 249 V CA 2.096 64.319 62.300 -0.129 0.000 1.010 249 V CB -0.972 30.798 31.823 -0.089 0.000 0.637 249 V HN 0.170 nan 8.190 nan 0.000 0.444 250 A N -0.342 122.219 122.820 -0.433 0.000 1.908 250 A HA -0.298 4.022 4.320 0.001 0.000 0.218 250 A C 2.298 179.383 177.584 -0.831 0.000 1.181 250 A CA 2.150 53.611 52.037 -0.959 0.000 0.627 250 A CB -0.600 17.660 19.000 -1.233 0.000 0.818 250 A HN 0.690 nan 8.150 nan 0.000 0.445 251 E N -0.578 119.415 120.200 -0.345 0.000 2.038 251 E HA -0.230 4.120 4.350 0.001 0.000 0.195 251 E C 1.914 178.466 176.600 -0.080 0.000 1.000 251 E CA 1.559 57.912 56.400 -0.078 0.000 0.803 251 E CB -0.263 29.454 29.700 0.028 0.000 0.750 251 E HN 0.416 nan 8.360 nan 0.000 0.448 252 L N 0.979 122.125 121.223 -0.128 0.000 2.017 252 L HA -0.078 4.263 4.340 0.001 0.000 0.208 252 L C 2.318 179.121 176.870 -0.111 0.000 1.073 252 L CA 2.353 57.122 54.840 -0.118 0.000 0.745 252 L CB -0.985 41.011 42.059 -0.104 0.000 0.894 252 L HN 0.229 nan 8.230 nan 0.000 0.432 253 A N -1.198 121.538 122.820 -0.140 0.000 1.902 253 A HA -0.205 4.116 4.320 0.001 0.000 0.217 253 A C 1.972 179.605 177.584 0.083 0.000 1.181 253 A CA 1.767 53.766 52.037 -0.063 0.000 0.623 253 A CB -1.092 17.835 19.000 -0.122 0.000 0.818 253 A HN 0.681 nan 8.150 nan 0.000 0.443 254 W N -0.569 120.689 121.300 -0.070 0.000 2.518 254 W HA 0.230 4.891 4.660 0.001 0.000 0.273 254 W C 2.619 179.094 176.519 -0.072 0.000 1.247 254 W CA 0.111 57.378 57.345 -0.130 0.000 1.288 254 W CB -1.151 28.083 29.460 -0.377 0.000 1.107 254 W HN 0.444 nan 8.180 nan 0.000 0.586 255 A N 0.595 123.506 122.820 0.151 0.000 1.873 255 A HA -0.120 4.200 4.320 0.001 0.000 0.215 255 A C 2.146 179.775 177.584 0.075 0.000 1.186 255 A CA 1.432 53.557 52.037 0.147 0.000 0.616 255 A CB -0.958 18.102 19.000 0.100 0.000 0.823 255 A HN 0.171 nan 8.150 nan 0.000 0.442 256 L N -0.562 120.611 121.223 -0.085 0.000 1.970 256 L HA -0.226 4.115 4.340 0.001 0.000 0.212 256 L C 3.138 179.903 176.870 -0.175 0.000 1.071 256 L CA 1.326 56.022 54.840 -0.240 0.000 0.751 256 L CB -0.836 40.820 42.059 -0.672 0.000 0.889 256 L HN 0.419 nan 8.230 nan 0.000 0.432 257 A N -0.233 122.574 122.820 -0.022 0.000 1.903 257 A HA -0.264 4.057 4.320 0.001 0.000 0.219 257 A C 2.372 180.032 177.584 0.126 0.000 1.191 257 A CA 2.718 54.941 52.037 0.310 0.000 0.638 257 A CB -1.161 18.060 19.000 0.368 0.000 0.823 257 A HN 0.468 nan 8.150 nan 0.000 0.451 258 T N -0.445 114.100 114.554 -0.014 0.000 2.746 258 T HA -0.020 4.331 4.350 0.001 0.000 0.267 258 T C 1.969 176.411 174.700 -0.430 0.000 1.039 258 T CA 1.436 63.379 62.100 -0.263 0.000 1.142 258 T CB -0.665 68.070 68.868 -0.221 0.000 0.866 258 T HN 0.622 nan 8.240 nan 0.000 0.444 259 G N 1.185 109.898 108.800 -0.145 0.000 2.446 259 G HA2 -0.080 3.881 3.960 0.001 0.000 0.217 259 G HA3 -0.080 3.881 3.960 0.001 0.000 0.217 259 G C 1.838 176.948 174.900 0.350 0.000 1.168 259 G CA 0.939 46.078 45.100 0.065 0.000 0.771 259 G HN 0.578 nan 8.290 nan 0.000 0.551 260 A N 0.599 123.665 122.820 0.410 0.000 1.902 260 A HA -0.019 4.302 4.320 0.001 0.000 0.217 260 A C 2.244 180.029 177.584 0.336 0.000 1.181 260 A CA 1.914 54.249 52.037 0.498 0.000 0.623 260 A CB -0.338 19.020 19.000 0.595 0.000 0.818 260 A HN 0.305 nan 8.150 nan 0.000 0.443 261 E N -0.653 119.650 120.200 0.171 0.000 2.077 261 E HA -0.187 4.164 4.350 0.001 0.000 0.193 261 E C 1.858 178.586 176.600 0.214 0.000 0.989 261 E CA 1.360 57.837 56.400 0.128 0.000 0.800 261 E CB -0.431 29.274 29.700 0.008 0.000 0.746 261 E HN 0.779 nan 8.360 nan 0.000 0.452 262 Y N 0.194 120.563 120.300 0.114 0.000 2.373 262 Y HA -0.081 4.470 4.550 0.001 0.000 0.293 262 Y C 2.464 178.386 175.900 0.037 0.000 1.129 262 Y CA 0.009 58.142 58.100 0.055 0.000 1.226 262 Y CB -0.934 37.527 38.460 0.002 0.000 1.000 262 Y HN -0.150 nan 8.280 nan 0.000 0.549 263 V N 0.000 120.024 119.914 0.183 0.000 2.323 263 V HA -0.225 3.896 4.120 0.001 0.000 0.244 263 V C 2.361 178.453 176.094 -0.004 0.000 1.041 263 V CA 1.551 63.830 62.300 -0.036 0.000 1.025 263 V CB -0.480 31.105 31.823 -0.396 0.000 0.656 263 V HN 0.247 nan 8.190 nan 0.000 0.451 264 R N 0.393 120.992 120.500 0.165 0.000 2.080 264 R HA -0.158 4.182 4.340 0.001 0.000 0.236 264 R C 2.480 178.884 176.300 0.174 0.000 1.137 264 R CA 1.635 57.877 56.100 0.237 0.000 0.943 264 R CB -0.737 29.730 30.300 0.279 0.000 0.846 264 R HN 0.518 nan 8.270 nan 0.000 0.431 265 A N 1.107 124.029 122.820 0.171 0.000 1.908 265 A HA -0.156 4.165 4.320 0.001 0.000 0.218 265 A C 2.183 179.848 177.584 0.136 0.000 1.181 265 A CA 1.344 53.471 52.037 0.150 0.000 0.627 265 A CB -0.527 18.570 19.000 0.163 0.000 0.818 265 A HN 0.198 nan 8.150 nan 0.000 0.445 266 L N -0.873 120.418 121.223 0.114 0.000 2.156 266 L HA -0.102 4.239 4.340 0.001 0.000 0.208 266 L C 2.478 179.494 176.870 0.244 0.000 1.095 266 L CA 0.619 55.531 54.840 0.120 0.000 0.770 266 L CB -0.346 41.678 42.059 -0.058 0.000 0.914 266 L HN 0.236 nan 8.230 nan 0.000 0.439 267 V N -0.124 119.888 119.914 0.164 0.000 2.307 267 V HA -0.270 3.851 4.120 0.001 0.000 0.245 267 V C 2.307 178.491 176.094 0.150 0.000 1.045 267 V CA 1.813 64.208 62.300 0.158 0.000 1.024 267 V CB -0.441 31.465 31.823 0.137 0.000 0.651 267 V HN 0.447 nan 8.190 nan 0.000 0.449 268 E N -0.234 120.050 120.200 0.140 0.000 2.160 268 E HA -0.254 4.097 4.350 0.001 0.000 0.195 268 E C 2.020 178.684 176.600 0.106 0.000 0.991 268 E CA 1.048 57.515 56.400 0.111 0.000 0.810 268 E CB -0.129 29.634 29.700 0.104 0.000 0.742 268 E HN 0.657 nan 8.360 nan 0.000 0.466 269 Q N -0.733 119.158 119.800 0.152 0.000 2.373 269 Q HA 0.079 4.420 4.340 0.001 0.000 0.206 269 Q C 0.694 176.752 176.000 0.097 0.000 0.942 269 Q CA 0.362 56.264 55.803 0.165 0.000 0.953 269 Q CB 0.785 29.680 28.738 0.261 0.000 1.022 269 Q HN 0.403 nan 8.270 nan 0.000 0.502 270 G N 0.165 108.981 108.800 0.026 0.000 2.157 270 G HA2 -0.254 3.706 3.960 0.001 0.000 0.239 270 G HA3 -0.254 3.706 3.960 0.001 0.000 0.239 270 G C -0.203 174.552 174.900 -0.242 0.000 0.982 270 G CA -0.409 44.612 45.100 -0.132 0.000 0.650 270 G HN 0.259 nan 8.290 nan 0.000 0.527 271 F N 1.632 121.593 119.950 0.018 0.000 2.403 271 F HA 0.636 5.163 4.527 0.001 0.000 0.326 271 F C 1.461 177.269 175.800 0.014 0.000 1.081 271 F CA 0.124 58.134 58.000 0.016 0.000 1.041 271 F CB 1.140 40.152 39.000 0.020 0.000 1.234 271 F HN 0.170 nan 8.300 nan 0.000 0.503 272 T N -1.238 113.432 114.554 0.192 0.000 2.788 272 T HA 0.466 4.816 4.350 0.001 0.000 0.280 272 T C 1.033 175.784 174.700 0.086 0.000 0.984 272 T CA -0.255 61.908 62.100 0.104 0.000 0.972 272 T CB 1.193 70.101 68.868 0.067 0.000 1.039 272 T HN 0.667 nan 8.240 nan 0.000 0.530 273 A N 0.415 123.239 122.820 0.007 0.000 1.968 273 A HA 0.058 4.379 4.320 0.001 0.000 0.217 273 A C 2.465 179.987 177.584 -0.104 0.000 1.169 273 A CA 1.659 53.628 52.037 -0.113 0.000 0.638 273 A CB -1.599 17.300 19.000 -0.169 0.000 0.812 273 A HN 0.895 nan 8.150 nan 0.000 0.446 274 T N 0.283 114.800 114.554 -0.063 0.000 2.746 274 T HA -0.134 4.216 4.350 0.001 0.000 0.267 274 T C 1.720 176.468 174.700 0.081 0.000 1.039 274 T CA 1.784 63.872 62.100 -0.021 0.000 1.142 274 T CB -0.242 68.621 68.868 -0.009 0.000 0.866 274 T HN 0.690 nan 8.240 nan 0.000 0.444 275 E N 1.079 121.341 120.200 0.103 0.000 2.150 275 E HA 0.021 4.372 4.350 0.001 0.000 0.193 275 E C 2.515 179.166 176.600 0.086 0.000 0.985 275 E CA 0.801 57.278 56.400 0.129 0.000 0.814 275 E CB -0.197 29.639 29.700 0.227 0.000 0.752 275 E HN 0.460 nan 8.360 nan 0.000 0.466 276 A N 1.083 123.951 122.820 0.080 0.000 1.858 276 A HA -0.185 4.135 4.320 0.001 0.000 0.216 276 A C 1.890 179.576 177.584 0.169 0.000 1.190 276 A CA 1.172 53.242 52.037 0.054 0.000 0.617 276 A CB -0.770 18.258 19.000 0.047 0.000 0.827 276 A HN 0.161 nan 8.150 nan 0.000 0.443 277 F N 0.870 120.816 119.950 -0.008 0.000 2.095 277 F HA -0.172 4.355 4.527 0.001 0.000 0.298 277 F C 1.783 177.638 175.800 0.092 0.000 1.104 277 F CA 1.898 59.947 58.000 0.082 0.000 1.232 277 F CB -0.602 38.397 39.000 -0.003 0.000 0.987 277 F HN 0.235 nan 8.300 nan 0.000 0.475 278 D N -1.633 118.893 120.400 0.210 0.000 2.378 278 D HA -0.089 4.551 4.640 0.001 0.000 0.222 278 D C 2.003 178.338 176.300 0.057 0.000 0.980 278 D CA 1.037 55.111 54.000 0.123 0.000 0.907 278 D CB -0.268 40.597 40.800 0.109 0.000 0.899 278 D HN 0.184 nan 8.370 nan 0.000 0.527 279 T N -0.957 113.606 114.554 0.015 0.000 3.003 279 T HA 0.268 4.618 4.350 0.001 0.000 0.261 279 T C 0.478 175.127 174.700 -0.084 0.000 1.003 279 T CA -0.244 61.832 62.100 -0.041 0.000 0.917 279 T CB 0.378 69.197 68.868 -0.082 0.000 1.084 279 T HN -0.063 nan 8.240 nan 0.000 0.522 280 I N 2.814 123.333 120.570 -0.085 0.000 2.321 280 I HA 0.432 4.602 4.170 0.001 0.000 0.291 280 I C -0.473 175.485 176.117 -0.265 0.000 0.998 280 I CA -0.778 60.406 61.300 -0.194 0.000 1.227 280 I CB 1.375 39.251 38.000 -0.208 0.000 1.368 280 I HN -0.000 nan 8.210 nan 0.000 0.466 281 N N 4.955 123.464 118.700 -0.319 0.000 2.402 281 N HA 0.603 5.344 4.740 0.001 0.000 0.294 281 N C -1.285 173.955 175.510 -0.450 0.000 1.203 281 N CA -0.447 52.445 53.050 -0.264 0.000 0.838 281 N CB 1.493 39.901 38.487 -0.132 0.000 1.306 281 N HN 0.191 nan 8.380 nan 0.000 0.510 282 F N 0.025 119.844 119.950 -0.218 0.000 2.495 282 F HA 0.469 4.996 4.527 0.001 0.000 0.327 282 F C 0.658 176.356 175.800 -0.170 0.000 1.103 282 F CA -0.820 57.046 58.000 -0.222 0.000 0.949 282 F CB 1.570 40.392 39.000 -0.298 0.000 1.142 282 F HN 0.110 nan 8.300 nan 0.000 0.457 283 R N 3.620 124.126 120.500 0.010 0.000 2.239 283 R HA 0.657 4.998 4.340 0.001 0.000 0.332 283 R C -1.411 174.868 176.300 -0.034 0.000 0.988 283 R CA -0.499 55.566 56.100 -0.058 0.000 0.859 283 R CB 0.731 30.953 30.300 -0.130 0.000 1.148 283 R HN 0.617 nan 8.270 nan 0.000 0.482 284 V N 0.590 120.467 119.914 -0.063 0.000 2.919 284 V HA 0.639 4.759 4.120 0.001 0.000 0.316 284 V C -0.185 175.825 176.094 -0.140 0.000 1.077 284 V CA -0.747 61.501 62.300 -0.085 0.000 0.977 284 V CB 2.004 33.764 31.823 -0.106 0.000 1.039 284 V HN 0.612 nan 8.190 nan 0.000 0.441 285 T N 2.646 117.091 114.554 -0.182 0.000 2.845 285 T HA 0.718 5.069 4.350 0.001 0.000 0.288 285 T C 0.085 174.629 174.700 -0.261 0.000 0.980 285 T CA 0.249 62.180 62.100 -0.282 0.000 1.071 285 T CB 1.265 69.805 68.868 -0.546 0.000 0.941 285 T HN 1.367 nan 8.240 nan 0.000 0.487 286 A N 3.025 125.702 122.820 -0.237 0.000 2.258 286 A HA 0.679 4.999 4.320 0.001 0.000 0.316 286 A C 0.700 178.166 177.584 -0.197 0.000 1.279 286 A CA -0.760 51.163 52.037 -0.190 0.000 0.876 286 A CB 0.320 19.224 19.000 -0.160 0.000 1.170 286 A HN 0.889 nan 8.150 nan 0.000 0.520 287 T N -0.782 113.668 114.554 -0.174 0.000 2.889 287 T HA 0.375 4.725 4.350 0.001 0.000 0.278 287 T C 1.126 175.801 174.700 -0.043 0.000 0.995 287 T CA 0.234 62.234 62.100 -0.166 0.000 0.966 287 T CB 0.406 69.181 68.868 -0.155 0.000 1.237 287 T HN 0.789 nan 8.240 nan 0.000 0.591 288 H N -1.503 117.557 119.070 -0.015 0.000 2.529 288 H HA 0.130 4.686 4.556 0.001 0.000 0.277 288 H C 0.179 175.503 175.328 -0.007 0.000 0.999 288 H CA -0.096 55.945 56.048 -0.012 0.000 1.256 288 H CB 0.095 29.857 29.762 0.001 0.000 1.402 288 H HN 0.487 nan 8.280 nan 0.000 0.566 289 D N 2.092 122.658 120.400 0.277 0.000 2.402 289 D HA -0.054 4.587 4.640 0.001 0.000 0.235 289 D C 1.101 177.441 176.300 0.067 0.000 1.226 289 D CA 0.031 54.136 54.000 0.174 0.000 0.918 289 D CB 1.168 42.078 40.800 0.184 0.000 1.043 289 D HN 0.514 nan 8.370 nan 0.000 0.506 290 Q N 3.211 123.014 119.800 0.006 0.000 2.002 290 Q HA -0.217 4.123 4.340 0.001 0.000 0.204 290 Q C 1.238 177.110 176.000 -0.212 0.000 0.988 290 Q CA 1.648 57.364 55.803 -0.146 0.000 0.843 290 Q CB -0.016 28.541 28.738 -0.301 0.000 0.908 290 Q HN 0.552 nan 8.270 nan 0.000 0.420 291 F N 0.213 120.169 119.950 0.010 0.000 2.259 291 F HA -0.099 4.429 4.527 0.001 0.000 0.298 291 F C 2.112 177.816 175.800 -0.160 0.000 1.088 291 F CA 0.489 58.417 58.000 -0.120 0.000 1.358 291 F CB 0.046 38.947 39.000 -0.164 0.000 1.040 291 F HN 0.096 nan 8.300 nan 0.000 0.505 292 L N -0.695 120.576 121.223 0.081 0.000 2.056 292 L HA -0.188 4.152 4.340 0.001 0.000 0.207 292 L C 2.399 179.253 176.870 -0.027 0.000 1.078 292 L CA 1.391 56.246 54.840 0.025 0.000 0.749 292 L CB -0.820 41.276 42.059 0.062 0.000 0.901 292 L HN 0.094 nan 8.230 nan 0.000 0.433 293 T N 0.066 114.594 114.554 -0.043 0.000 2.746 293 T HA -0.143 4.208 4.350 0.001 0.000 0.267 293 T C 1.879 176.510 174.700 -0.115 0.000 1.039 293 T CA 1.349 63.396 62.100 -0.089 0.000 1.142 293 T CB -0.186 68.620 68.868 -0.103 0.000 0.866 293 T HN 0.170 nan 8.240 nan 0.000 0.444 294 I N 1.427 121.922 120.570 -0.125 0.000 2.179 294 I HA -0.198 3.972 4.170 0.001 0.000 0.242 294 I C 2.922 178.970 176.117 -0.114 0.000 1.088 294 I CA 1.261 62.478 61.300 -0.139 0.000 1.357 294 I CB -0.491 37.426 38.000 -0.138 0.000 1.051 294 I HN 0.185 nan 8.210 nan 0.000 0.409 295 A N 0.609 123.367 122.820 -0.103 0.000 1.933 295 A HA -0.243 4.077 4.320 0.001 0.000 0.218 295 A C 2.431 179.962 177.584 -0.089 0.000 1.175 295 A CA 1.849 53.824 52.037 -0.104 0.000 0.628 295 A CB -0.640 18.287 19.000 -0.122 0.000 0.814 295 A HN 0.385 nan 8.150 nan 0.000 0.444 296 R N -0.132 120.316 120.500 -0.088 0.000 2.075 296 R HA -0.006 4.335 4.340 0.001 0.000 0.232 296 R C 1.842 178.073 176.300 -0.115 0.000 1.126 296 R CA 1.366 57.411 56.100 -0.091 0.000 0.963 296 R CB -0.369 29.878 30.300 -0.088 0.000 0.858 296 R HN 0.523 nan 8.270 nan 0.000 0.435 297 L N -0.078 121.070 121.223 -0.125 0.000 2.141 297 L HA -0.072 4.268 4.340 0.001 0.000 0.209 297 L C 2.525 179.326 176.870 -0.114 0.000 1.094 297 L CA 1.245 56.002 54.840 -0.138 0.000 0.763 297 L CB -0.464 41.508 42.059 -0.145 0.000 0.908 297 L HN 0.190 nan 8.230 nan 0.000 0.437 298 R N 0.488 120.933 120.500 -0.091 0.000 2.073 298 R HA -0.020 4.320 4.340 0.001 0.000 0.229 298 R C 2.544 178.817 176.300 -0.046 0.000 1.120 298 R CA 1.147 57.211 56.100 -0.060 0.000 0.967 298 R CB -0.441 29.822 30.300 -0.062 0.000 0.862 298 R HN 0.306 nan 8.270 nan 0.000 0.436 299 A N 1.441 124.227 122.820 -0.058 0.000 1.933 299 A HA -0.157 4.164 4.320 0.001 0.000 0.218 299 A C 2.146 179.703 177.584 -0.044 0.000 1.175 299 A CA 1.055 53.067 52.037 -0.041 0.000 0.628 299 A CB -0.499 18.477 19.000 -0.039 0.000 0.814 299 A HN 0.272 nan 8.150 nan 0.000 0.444 300 L N -0.622 120.536 121.223 -0.108 0.000 2.017 300 L HA -0.196 4.144 4.340 0.001 0.000 0.208 300 L C 2.778 179.571 176.870 -0.127 0.000 1.073 300 L CA 1.678 56.399 54.840 -0.198 0.000 0.745 300 L CB -0.273 41.560 42.059 -0.376 0.000 0.894 300 L HN 0.343 nan 8.230 nan 0.000 0.432 301 R N -0.555 119.902 120.500 -0.072 0.000 2.073 301 R HA -0.233 4.107 4.340 0.001 0.000 0.234 301 R C 2.232 178.608 176.300 0.127 0.000 1.134 301 R CA 1.858 57.985 56.100 0.045 0.000 0.952 301 R CB -0.512 29.841 30.300 0.088 0.000 0.850 301 R HN 0.499 nan 8.270 nan 0.000 0.433 302 E N 0.724 120.979 120.200 0.093 0.000 2.038 302 E HA -0.227 4.124 4.350 0.001 0.000 0.195 302 E C 1.980 178.639 176.600 0.098 0.000 1.000 302 E CA 1.413 57.868 56.400 0.091 0.000 0.803 302 E CB -0.073 29.645 29.700 0.031 0.000 0.750 302 E HN 0.363 nan 8.360 nan 0.000 0.448 303 A N 1.330 124.218 122.820 0.113 0.000 1.877 303 A HA -0.209 4.111 4.320 0.001 0.000 0.216 303 A C 2.109 179.914 177.584 0.369 0.000 1.186 303 A CA 1.348 53.521 52.037 0.226 0.000 0.620 303 A CB -1.423 17.744 19.000 0.279 0.000 0.822 303 A HN 0.743 nan 8.150 nan 0.000 0.443 304 W N 0.392 121.727 121.300 0.057 0.000 2.374 304 W HA -0.146 4.515 4.660 0.001 0.000 0.288 304 W C 2.366 179.027 176.519 0.236 0.000 1.218 304 W CA 1.177 58.584 57.345 0.104 0.000 1.245 304 W CB 0.031 29.450 29.460 -0.067 0.000 1.126 304 W HN 0.467 nan 8.180 nan 0.000 0.545 305 A N 0.681 123.639 122.820 0.230 0.000 1.898 305 A HA -0.247 4.073 4.320 0.001 0.000 0.216 305 A C 1.812 179.463 177.584 0.112 0.000 1.181 305 A CA 1.916 54.028 52.037 0.126 0.000 0.620 305 A CB -0.829 18.310 19.000 0.232 0.000 0.819 305 A HN 0.229 nan 8.150 nan 0.000 0.442 306 R N 0.268 120.846 120.500 0.130 0.000 2.092 306 R HA 0.030 4.371 4.340 0.001 0.000 0.231 306 R C 1.656 178.076 176.300 0.201 0.000 1.119 306 R CA 1.619 57.783 56.100 0.107 0.000 0.970 306 R CB -0.803 29.485 30.300 -0.020 0.000 0.864 306 R HN 0.558 nan 8.270 nan 0.000 0.440 307 I N -0.408 120.337 120.570 0.292 0.000 2.252 307 I HA -0.105 4.065 4.170 0.001 0.000 0.245 307 I C 2.217 178.446 176.117 0.186 0.000 1.102 307 I CA 1.445 62.938 61.300 0.321 0.000 1.385 307 I CB -0.581 37.621 38.000 0.338 0.000 1.064 307 I HN 0.405 nan 8.210 nan 0.000 0.414 308 G N 0.017 108.796 108.800 -0.036 0.000 2.421 308 G HA2 -0.280 3.681 3.960 0.001 0.000 0.216 308 G HA3 -0.280 3.681 3.960 0.001 0.000 0.216 308 G C 1.540 176.315 174.900 -0.207 0.000 1.171 308 G CA 0.719 45.540 45.100 -0.466 0.000 0.775 308 G HN 0.407 nan 8.290 nan 0.000 0.543 309 E N -0.090 120.073 120.200 -0.063 0.000 2.058 309 E HA -0.125 4.226 4.350 0.001 0.000 0.194 309 E C 2.682 179.278 176.600 -0.007 0.000 0.997 309 E CA 1.256 57.645 56.400 -0.018 0.000 0.801 309 E CB -0.107 29.605 29.700 0.021 0.000 0.746 309 E HN 0.253 nan 8.360 nan 0.000 0.450 310 V N 0.222 120.140 119.914 0.005 0.000 2.407 310 V HA -0.215 3.905 4.120 0.001 0.000 0.248 310 V C 1.796 177.833 176.094 -0.096 0.000 1.055 310 V CA 1.569 63.843 62.300 -0.043 0.000 1.049 310 V CB -0.445 31.352 31.823 -0.044 0.000 0.662 310 V HN 0.289 nan 8.190 nan 0.000 0.455 311 F N 0.200 120.107 119.950 -0.072 0.000 2.797 311 F HA 0.357 4.884 4.527 0.001 0.000 0.302 311 F C 1.760 177.483 175.800 -0.128 0.000 1.130 311 F CA 0.583 58.526 58.000 -0.094 0.000 1.387 311 F CB 0.073 38.981 39.000 -0.152 0.000 1.107 311 F HN 0.298 nan 8.300 nan 0.000 0.577 312 G N 1.347 110.166 108.800 0.031 0.000 2.246 312 G HA2 -0.265 3.696 3.960 0.001 0.000 0.273 312 G HA3 -0.265 3.696 3.960 0.001 0.000 0.273 312 G C 0.040 174.893 174.900 -0.079 0.000 1.055 312 G CA 0.045 45.135 45.100 -0.017 0.000 0.851 312 G HN 0.128 nan 8.290 nan 0.000 0.500 313 V N 0.505 120.300 119.914 -0.199 0.000 2.811 313 V HA 0.216 4.337 4.120 0.001 0.000 0.302 313 V C 0.864 176.870 176.094 -0.147 0.000 1.063 313 V CA -0.529 61.599 62.300 -0.287 0.000 1.088 313 V CB 0.902 32.308 31.823 -0.695 0.000 0.982 313 V HN 0.373 nan 8.190 nan 0.000 0.485 314 D N 2.971 123.320 120.400 -0.084 0.000 2.533 314 D HA -0.030 4.610 4.640 0.001 0.000 0.236 314 D C 1.462 177.768 176.300 0.010 0.000 1.137 314 D CA 0.341 54.331 54.000 -0.017 0.000 0.867 314 D CB 0.605 41.412 40.800 0.013 0.000 1.170 314 D HN 0.807 nan 8.370 nan 0.000 0.474 315 E N 1.947 122.175 120.200 0.047 0.000 2.187 315 E HA -0.295 4.056 4.350 0.001 0.000 0.199 315 E C 0.805 177.544 176.600 0.231 0.000 1.004 315 E CA 1.354 57.822 56.400 0.114 0.000 0.813 315 E CB -0.095 29.661 29.700 0.094 0.000 0.736 315 E HN 0.525 nan 8.360 nan 0.000 0.468 316 D N 1.054 121.577 120.400 0.205 0.000 2.347 316 D HA -0.095 4.545 4.640 0.001 0.000 0.213 316 D C 1.197 177.677 176.300 0.299 0.000 0.985 316 D CA 0.544 54.712 54.000 0.281 0.000 0.879 316 D CB -0.063 40.833 40.800 0.159 0.000 0.919 316 D HN 0.232 nan 8.370 nan 0.000 0.526 317 K N 0.091 120.592 120.400 0.169 0.000 2.399 317 K HA 0.246 4.567 4.320 0.001 0.000 0.204 317 K C 1.305 177.943 176.600 0.063 0.000 1.023 317 K CA -0.274 56.083 56.287 0.116 0.000 1.127 317 K CB 0.750 33.308 32.500 0.096 0.000 0.856 317 K HN 0.022 nan 8.250 nan 0.000 0.514 318 R N 0.690 121.125 120.500 -0.107 0.000 2.313 318 R HA 0.040 4.381 4.340 0.001 0.000 0.199 318 R C 0.908 176.892 176.300 -0.527 0.000 0.958 318 R CA 0.015 55.993 56.100 -0.203 0.000 1.047 318 R CB 0.211 30.397 30.300 -0.189 0.000 0.955 318 R HN 0.004 nan 8.270 nan 0.000 0.481 319 G N 1.174 109.420 108.800 -0.924 0.000 2.358 319 G HA2 0.373 4.333 3.960 0.001 0.000 0.273 319 G HA3 0.373 4.333 3.960 0.001 0.000 0.273 319 G C -0.142 174.770 174.900 0.020 0.000 1.215 319 G CA -0.443 44.263 45.100 -0.658 0.000 0.910 319 G HN 0.244 nan 8.290 nan 0.000 0.467 320 A N 3.787 126.689 122.820 0.136 0.000 2.477 320 A HA 0.483 4.804 4.320 0.001 0.000 0.246 320 A C 0.757 178.371 177.584 0.051 0.000 1.078 320 A CA -0.193 51.902 52.037 0.097 0.000 0.770 320 A CB 0.342 19.194 19.000 -0.246 0.000 1.011 320 A HN 0.726 nan 8.150 nan 0.000 0.494 321 R N 1.877 122.433 120.500 0.093 0.000 2.229 321 R HA 0.342 4.683 4.340 0.001 0.000 0.332 321 R C -0.806 175.530 176.300 0.061 0.000 0.989 321 R CA -0.077 56.063 56.100 0.067 0.000 0.842 321 R CB 1.145 31.482 30.300 0.062 0.000 1.119 321 R HN 0.821 nan 8.270 nan 0.000 0.456 322 Q N 2.037 121.843 119.800 0.011 0.000 2.331 322 Q HA 0.310 4.651 4.340 0.001 0.000 0.267 322 Q C -0.839 175.144 176.000 -0.029 0.000 1.006 322 Q CA -0.784 55.011 55.803 -0.013 0.000 0.818 322 Q CB 2.242 30.933 28.738 -0.079 0.000 1.276 322 Q HN 0.422 nan 8.270 nan 0.000 0.450 323 N N 1.737 120.417 118.700 -0.034 0.000 2.527 323 N HA 0.352 5.092 4.740 0.001 0.000 0.236 323 N C -1.098 174.362 175.510 -0.084 0.000 0.999 323 N CA -0.126 52.892 53.050 -0.054 0.000 0.935 323 N CB 1.590 40.041 38.487 -0.061 0.000 1.132 323 N HN 0.533 nan 8.380 nan 0.000 0.511 324 A N 2.754 125.516 122.820 -0.097 0.000 2.327 324 A HA 0.623 4.944 4.320 0.001 0.000 0.283 324 A C -0.031 177.481 177.584 -0.121 0.000 1.127 324 A CA -0.545 51.417 52.037 -0.125 0.000 0.810 324 A CB 0.627 19.536 19.000 -0.153 0.000 1.066 324 A HN 0.745 nan 8.150 nan 0.000 0.492 325 I N 1.698 122.187 120.570 -0.135 0.000 2.533 325 I HA 0.398 4.568 4.170 0.001 0.000 0.290 325 I C 0.600 176.643 176.117 -0.123 0.000 1.056 325 I CA -0.359 60.869 61.300 -0.121 0.000 1.057 325 I CB 2.193 40.108 38.000 -0.142 0.000 1.240 325 I HN 0.878 nan 8.210 nan 0.000 0.423 326 T N 2.702 117.205 114.554 -0.086 0.000 2.856 326 T HA 0.109 4.460 4.350 0.001 0.000 0.306 326 T C 0.382 175.035 174.700 -0.078 0.000 1.062 326 T CA -0.415 61.634 62.100 -0.085 0.000 1.083 326 T CB 1.137 69.979 68.868 -0.043 0.000 0.984 326 T HN 0.584 nan 8.240 nan 0.000 0.542 327 S N 1.434 117.072 115.700 -0.103 0.000 2.498 327 S HA 0.068 4.538 4.470 0.001 0.000 0.281 327 S C 0.516 175.160 174.600 0.073 0.000 1.265 327 S CA -0.673 57.498 58.200 -0.049 0.000 1.071 327 S CB -0.395 62.755 63.200 -0.083 0.000 0.894 327 S HN 0.878 nan 8.310 nan 0.000 0.491 328 W N 6.158 127.419 121.300 -0.065 0.000 2.453 328 W HA 0.049 4.709 4.660 0.001 0.000 0.289 328 W C 2.180 178.663 176.519 -0.061 0.000 1.215 328 W CA 0.683 57.983 57.345 -0.074 0.000 1.297 328 W CB -0.172 29.198 29.460 -0.149 0.000 1.113 328 W HN 0.781 nan 8.180 nan 0.000 0.551 329 R N 0.679 121.194 120.500 0.025 0.000 2.105 329 R HA -0.192 4.148 4.340 0.001 0.000 0.239 329 R C 1.701 177.849 176.300 -0.254 0.000 1.135 329 R CA 2.111 58.076 56.100 -0.225 0.000 0.967 329 R CB -0.349 29.849 30.300 -0.169 0.000 0.861 329 R HN 0.311 nan 8.270 nan 0.000 0.442 330 E N 0.003 120.117 120.200 -0.143 0.000 2.481 330 E HA 0.012 4.362 4.350 0.001 0.000 0.195 330 E C 0.021 176.561 176.600 -0.101 0.000 1.047 330 E CA -0.133 56.197 56.400 -0.117 0.000 0.867 330 E CB 0.165 29.747 29.700 -0.196 0.000 0.858 330 E HN 0.294 nan 8.360 nan 0.000 0.513 331 L N 1.845 122.960 121.223 -0.180 0.000 2.426 331 L HA 0.094 4.435 4.340 0.001 0.000 0.271 331 L C 0.686 177.469 176.870 -0.146 0.000 1.169 331 L CA -0.026 54.727 54.840 -0.144 0.000 0.836 331 L CB 0.561 42.504 42.059 -0.194 0.000 1.112 331 L HN 0.049 nan 8.230 nan 0.000 0.465 332 T N -0.954 113.567 114.554 -0.054 0.000 2.908 332 T HA 0.362 4.713 4.350 0.001 0.000 0.290 332 T C 0.556 175.256 174.700 -0.001 0.000 1.034 332 T CA -0.907 61.178 62.100 -0.025 0.000 1.010 332 T CB 2.355 71.232 68.868 0.015 0.000 1.068 332 T HN 0.621 nan 8.240 nan 0.000 0.481 333 R N 0.198 120.705 120.500 0.012 0.000 2.066 333 R HA 0.119 4.460 4.340 0.001 0.000 0.224 333 R C -0.029 176.300 176.300 0.048 0.000 1.122 333 R CA 0.638 56.757 56.100 0.031 0.000 0.974 333 R CB 0.047 30.371 30.300 0.040 0.000 0.871 333 R HN 0.667 nan 8.270 nan 0.000 0.435 334 E N 1.286 121.517 120.200 0.053 0.000 2.331 334 E HA 0.037 4.388 4.350 0.001 0.000 0.272 334 E C -0.841 175.802 176.600 0.072 0.000 1.036 334 E CA 0.065 56.502 56.400 0.061 0.000 0.864 334 E CB 0.755 30.486 29.700 0.051 0.000 1.035 334 E HN 0.110 nan 8.360 nan 0.000 0.408 335 D N 2.972 123.430 120.400 0.097 0.000 2.904 335 D HA -0.140 4.500 4.640 0.001 0.000 0.231 335 D C -1.710 174.682 176.300 0.153 0.000 1.185 335 D CA 0.223 54.302 54.000 0.132 0.000 0.783 335 D CB -0.011 40.843 40.800 0.090 0.000 0.961 335 D HN 0.306 nan 8.370 nan 0.000 0.409 336 P HA -0.160 nan 4.420 nan 0.000 0.223 336 P C 1.416 178.837 177.300 0.201 0.000 1.151 336 P CA 0.828 64.033 63.100 0.174 0.000 0.787 336 P CB -0.098 31.675 31.700 0.122 0.000 0.788 337 Y N 0.051 120.432 120.300 0.136 0.000 2.403 337 Y HA -0.130 4.421 4.550 0.001 0.000 0.291 337 Y C 2.528 178.374 175.900 -0.090 0.000 1.143 337 Y CA 0.702 58.730 58.100 -0.119 0.000 1.257 337 Y CB -1.186 37.204 38.460 -0.116 0.000 0.984 337 Y HN -0.226 nan 8.280 nan 0.000 0.550 338 V N 0.235 120.213 119.914 0.106 0.000 2.490 338 V HA -0.287 3.833 4.120 0.001 0.000 0.250 338 V C 1.754 177.877 176.094 0.049 0.000 1.061 338 V CA 1.688 64.025 62.300 0.062 0.000 1.064 338 V CB -0.505 31.354 31.823 0.060 0.000 0.670 338 V HN 0.503 nan 8.190 nan 0.000 0.461 339 N N 0.282 119.024 118.700 0.070 0.000 2.364 339 N HA -0.060 4.681 4.740 0.001 0.000 0.183 339 N C 1.697 177.242 175.510 0.058 0.000 1.022 339 N CA 1.250 54.347 53.050 0.080 0.000 0.883 339 N CB -0.249 38.315 38.487 0.129 0.000 0.965 339 N HN 0.466 nan 8.380 nan 0.000 0.438 340 I N 0.799 121.363 120.570 -0.010 0.000 2.226 340 I HA -0.234 3.936 4.170 0.001 0.000 0.245 340 I C 1.989 178.096 176.117 -0.018 0.000 1.100 340 I CA 0.832 62.099 61.300 -0.056 0.000 1.374 340 I CB -0.208 37.683 38.000 -0.182 0.000 1.057 340 I HN 0.046 nan 8.210 nan 0.000 0.413 341 L N 0.114 121.331 121.223 -0.010 0.000 2.017 341 L HA -0.195 4.146 4.340 0.001 0.000 0.208 341 L C 2.775 179.651 176.870 0.010 0.000 1.073 341 L CA 1.431 56.268 54.840 -0.005 0.000 0.745 341 L CB -0.700 41.356 42.059 -0.005 0.000 0.894 341 L HN 0.148 nan 8.230 nan 0.000 0.432 342 R N 0.085 120.605 120.500 0.033 0.000 2.083 342 R HA -0.134 4.206 4.340 0.001 0.000 0.237 342 R C 2.372 178.694 176.300 0.036 0.000 1.137 342 R CA 1.498 57.632 56.100 0.057 0.000 0.951 342 R CB -0.801 29.543 30.300 0.074 0.000 0.851 342 R HN 0.459 nan 8.270 nan 0.000 0.434 343 G N -0.275 108.542 108.800 0.027 0.000 2.448 343 G HA2 -0.185 3.776 3.960 0.001 0.000 0.218 343 G HA3 -0.185 3.776 3.960 0.001 0.000 0.218 343 G C 1.392 176.303 174.900 0.019 0.000 1.135 343 G CA 0.500 45.612 45.100 0.020 0.000 0.784 343 G HN 0.201 nan 8.290 nan 0.000 0.543 344 S N 0.320 116.029 115.700 0.016 0.000 2.343 344 S HA -0.091 4.379 4.470 0.001 0.000 0.219 344 S C 2.184 176.797 174.600 0.021 0.000 1.033 344 S CA 0.995 59.206 58.200 0.018 0.000 1.014 344 S CB -0.295 62.901 63.200 -0.007 0.000 0.915 344 S HN 0.373 nan 8.310 nan 0.000 0.435 345 I N 1.171 121.739 120.570 -0.003 0.000 2.315 345 I HA -0.198 3.973 4.170 0.001 0.000 0.248 345 I C 2.349 178.487 176.117 0.035 0.000 1.117 345 I CA 1.098 62.392 61.300 -0.009 0.000 1.404 345 I CB -0.335 37.639 38.000 -0.044 0.000 1.071 345 I HN 0.294 nan 8.210 nan 0.000 0.419 346 A N -0.207 122.620 122.820 0.011 0.000 1.873 346 A HA -0.183 4.138 4.320 0.001 0.000 0.215 346 A C 2.272 179.824 177.584 -0.054 0.000 1.186 346 A CA 2.281 54.302 52.037 -0.027 0.000 0.616 346 A CB -1.147 17.828 19.000 -0.041 0.000 0.823 346 A HN 0.431 nan 8.150 nan 0.000 0.442 347 T N -0.614 113.919 114.554 -0.035 0.000 2.708 347 T HA -0.143 4.208 4.350 0.001 0.000 0.266 347 T C 1.626 176.248 174.700 -0.129 0.000 1.037 347 T CA 1.595 63.648 62.100 -0.078 0.000 1.146 347 T CB -0.439 68.428 68.868 -0.002 0.000 0.865 347 T HN 0.506 nan 8.240 nan 0.000 0.435 348 F N 2.165 122.008 119.950 -0.178 0.000 2.095 348 F HA -0.162 4.366 4.527 0.001 0.000 0.298 348 F C 2.493 178.138 175.800 -0.257 0.000 1.104 348 F CA 1.463 59.342 58.000 -0.201 0.000 1.232 348 F CB -0.474 38.442 39.000 -0.139 0.000 0.987 348 F HN 0.033 nan 8.300 nan 0.000 0.475 349 S N 0.565 116.235 115.700 -0.049 0.000 2.382 349 S HA -0.158 4.312 4.470 0.001 0.000 0.228 349 S C 2.261 176.685 174.600 -0.294 0.000 1.027 349 S CA 1.033 59.125 58.200 -0.180 0.000 0.991 349 S CB -0.829 62.323 63.200 -0.081 0.000 0.823 349 S HN 0.568 nan 8.310 nan 0.000 0.469 350 A N 0.907 123.551 122.820 -0.294 0.000 1.930 350 A HA -0.043 4.278 4.320 0.001 0.000 0.217 350 A C 2.270 179.585 177.584 -0.448 0.000 1.175 350 A CA 1.773 53.619 52.037 -0.319 0.000 0.627 350 A CB -0.902 17.925 19.000 -0.287 0.000 0.815 350 A HN 0.482 nan 8.150 nan 0.000 0.443 351 S N -0.482 114.826 115.700 -0.654 0.000 2.383 351 S HA -0.106 4.364 4.470 0.001 0.000 0.227 351 S C 1.843 176.114 174.600 -0.548 0.000 1.026 351 S CA 1.599 59.303 58.200 -0.827 0.000 0.981 351 S CB -0.427 62.010 63.200 -1.272 0.000 0.818 351 S HN 0.276 nan 8.310 nan 0.000 0.472 352 V N 1.428 121.002 119.914 -0.567 0.000 2.548 352 V HA 0.032 4.152 4.120 0.001 0.000 0.249 352 V C 2.652 178.575 176.094 -0.285 0.000 1.055 352 V CA 1.611 63.643 62.300 -0.447 0.000 1.065 352 V CB -1.288 30.194 31.823 -0.567 0.000 0.681 352 V HN 0.635 nan 8.190 nan 0.000 0.462 353 G N -0.526 108.112 108.800 -0.270 0.000 2.744 353 G HA2 0.266 4.227 3.960 0.001 0.000 0.211 353 G HA3 0.266 4.227 3.960 0.001 0.000 0.211 353 G C 1.256 176.060 174.900 -0.160 0.000 1.143 353 G CA 0.648 45.630 45.100 -0.196 0.000 0.788 353 G HN 0.992 nan 8.290 nan 0.000 0.534 354 G N -0.907 107.791 108.800 -0.169 0.000 2.149 354 G HA2 0.132 4.093 3.960 0.001 0.000 0.235 354 G HA3 0.132 4.093 3.960 0.001 0.000 0.235 354 G C 0.470 175.314 174.900 -0.093 0.000 1.018 354 G CA 0.202 45.237 45.100 -0.108 0.000 0.728 354 G HN 1.349 nan 8.290 nan 0.000 0.508 355 A N -0.604 122.125 122.820 -0.153 0.000 2.511 355 A HA 0.580 4.900 4.320 0.001 0.000 0.242 355 A C 1.278 178.834 177.584 -0.046 0.000 1.069 355 A CA 1.251 53.217 52.037 -0.119 0.000 0.763 355 A CB 0.311 19.207 19.000 -0.174 0.000 1.001 355 A HN 0.407 nan 8.150 nan 0.000 0.498 356 E N 0.650 120.853 120.200 0.005 0.000 2.107 356 E HA 0.002 4.352 4.350 0.001 0.000 0.191 356 E C 0.892 177.557 176.600 0.109 0.000 0.982 356 E CA 1.574 58.014 56.400 0.065 0.000 0.809 356 E CB 0.025 29.757 29.700 0.053 0.000 0.756 356 E HN 0.770 nan 8.360 nan 0.000 0.459 357 S N -0.824 114.918 115.700 0.069 0.000 2.570 357 S HA 0.708 5.179 4.470 0.001 0.000 0.286 357 S C -0.598 174.031 174.600 0.048 0.000 1.099 357 S CA -0.988 57.277 58.200 0.108 0.000 0.913 357 S CB 1.492 64.733 63.200 0.068 0.000 1.085 357 S HN 0.019 nan 8.310 nan 0.000 0.480 358 I N 1.486 122.113 120.570 0.095 0.000 2.534 358 I HA 0.366 4.536 4.170 0.001 0.000 0.288 358 I C -0.827 175.316 176.117 0.044 0.000 1.077 358 I CA -0.382 60.918 61.300 -0.001 0.000 1.051 358 I CB 2.682 40.602 38.000 -0.133 0.000 1.234 358 I HN 0.660 nan 8.210 nan 0.000 0.425 359 T N 3.741 118.288 114.554 -0.011 0.000 2.772 359 T HA 0.344 4.694 4.350 0.001 0.000 0.288 359 T C -0.141 174.552 174.700 -0.012 0.000 0.994 359 T CA -0.396 61.700 62.100 -0.007 0.000 0.951 359 T CB 1.091 69.934 68.868 -0.042 0.000 0.933 359 T HN 0.433 nan 8.240 nan 0.000 0.447 360 T N 4.833 119.395 114.554 0.013 0.000 2.767 360 T HA 0.424 4.774 4.350 0.001 0.000 0.288 360 T C 0.474 175.185 174.700 0.018 0.000 0.963 360 T CA -0.600 61.509 62.100 0.015 0.000 1.019 360 T CB 0.389 69.279 68.868 0.036 0.000 0.923 360 T HN 0.365 nan 8.240 nan 0.000 0.468 361 L N 5.684 126.921 121.223 0.024 0.000 2.416 361 L HA 0.279 4.620 4.340 0.001 0.000 0.272 361 L C -1.745 175.155 176.870 0.050 0.000 1.161 361 L CA -2.033 52.834 54.840 0.046 0.000 0.845 361 L CB 0.206 42.309 42.059 0.074 0.000 1.119 361 L HN 0.347 nan 8.230 nan 0.000 0.464 362 P HA -0.085 nan 4.420 nan 0.000 0.267 362 P C 0.420 177.732 177.300 0.020 0.000 1.200 362 P CA -0.078 63.030 63.100 0.012 0.000 0.772 362 P CB 0.300 31.972 31.700 -0.047 0.000 0.855 363 F N 0.574 120.459 119.950 -0.107 0.000 2.365 363 F HA -0.104 4.423 4.527 0.001 0.000 0.300 363 F C 1.450 177.183 175.800 -0.111 0.000 1.090 363 F CA 1.282 59.209 58.000 -0.121 0.000 1.408 363 F CB -1.631 37.253 39.000 -0.193 0.000 1.060 363 F HN 0.235 nan 8.300 nan 0.000 0.534 364 T N -3.097 111.050 114.554 -0.678 0.000 3.129 364 T HA -0.015 4.336 4.350 0.001 0.000 0.251 364 T C 1.546 176.135 174.700 -0.184 0.000 1.117 364 T CA 0.580 62.357 62.100 -0.538 0.000 1.034 364 T CB -0.307 68.176 68.868 -0.641 0.000 0.968 364 T HN 0.322 nan 8.240 nan 0.000 0.526 365 Q N 1.831 121.618 119.800 -0.021 0.000 2.308 365 Q HA 0.037 4.378 4.340 0.001 0.000 0.209 365 Q C 2.085 178.303 176.000 0.363 0.000 0.985 365 Q CA 1.624 57.558 55.803 0.218 0.000 0.881 365 Q CB -0.783 28.090 28.738 0.226 0.000 0.917 365 Q HN 0.744 nan 8.270 nan 0.000 0.443 366 A N -1.449 121.483 122.820 0.187 0.000 2.147 366 A HA 0.156 4.476 4.320 0.001 0.000 0.211 366 A C 1.609 179.320 177.584 0.211 0.000 1.160 366 A CA 0.302 52.434 52.037 0.159 0.000 0.781 366 A CB 0.048 19.037 19.000 -0.018 0.000 0.842 366 A HN 0.384 nan 8.150 nan 0.000 0.475 367 L N -1.972 119.318 121.223 0.111 0.000 2.362 367 L HA 0.435 4.776 4.340 0.001 0.000 0.204 367 L C 1.291 178.061 176.870 -0.167 0.000 1.060 367 L CA 0.636 55.480 54.840 0.005 0.000 0.827 367 L CB -0.102 41.901 42.059 -0.093 0.000 1.027 367 L HN 0.481 nan 8.230 nan 0.000 0.474 368 G N -0.643 107.871 108.800 -0.477 0.000 2.323 368 G HA2 0.274 4.235 3.960 0.001 0.000 0.291 368 G HA3 0.274 4.235 3.960 0.001 0.000 0.291 368 G C -1.767 172.584 174.900 -0.914 0.000 1.278 368 G CA -0.926 43.472 45.100 -1.170 0.000 0.860 368 G HN -0.119 nan 8.290 nan 0.000 0.504 369 L N 1.820 122.582 121.223 -0.769 0.000 2.371 369 L HA 0.377 4.717 4.340 0.001 0.000 0.272 369 L C -1.888 174.804 176.870 -0.296 0.000 1.124 369 L CA -1.628 52.982 54.840 -0.385 0.000 0.816 369 L CB 1.305 43.188 42.059 -0.294 0.000 1.129 369 L HN 0.233 nan 8.230 nan 0.000 0.448 370 P HA 0.013 nan 4.420 nan 0.000 0.265 370 P C -0.218 177.000 177.300 -0.137 0.000 1.193 370 P CA 0.107 63.136 63.100 -0.118 0.000 0.765 370 P CB 0.525 32.228 31.700 0.005 0.000 0.823 371 E N 1.070 121.229 120.200 -0.069 0.000 2.385 371 E HA -0.034 4.316 4.350 0.001 0.000 0.194 371 E C 0.162 176.859 176.600 0.162 0.000 1.013 371 E CA 0.604 56.969 56.400 -0.060 0.000 0.866 371 E CB 0.183 29.870 29.700 -0.021 0.000 0.832 371 E HN 0.643 nan 8.360 nan 0.000 0.500 372 D N -1.587 118.981 120.400 0.280 0.000 2.921 372 D HA -0.019 4.621 4.640 0.001 0.000 0.329 372 D C 0.054 176.546 176.300 0.320 0.000 1.293 372 D CA -0.636 53.571 54.000 0.345 0.000 0.964 372 D CB 0.014 40.946 40.800 0.220 0.000 1.435 372 D HN -0.254 nan 8.370 nan 0.000 0.548 373 D N -1.767 118.763 120.400 0.217 0.000 2.317 373 D HA -0.017 4.623 4.640 0.001 0.000 0.211 373 D C 1.465 177.898 176.300 0.221 0.000 0.966 373 D CA 0.248 54.352 54.000 0.173 0.000 0.876 373 D CB -0.172 40.690 40.800 0.103 0.000 0.927 373 D HN 0.246 nan 8.370 nan 0.000 0.519 374 F N 2.037 122.057 119.950 0.116 0.000 2.024 374 F HA -0.210 4.318 4.527 0.001 0.000 0.296 374 F C -1.063 174.845 175.800 0.179 0.000 1.137 374 F CA 1.733 59.818 58.000 0.142 0.000 1.200 374 F CB -1.703 37.392 39.000 0.159 0.000 0.954 374 F HN 0.078 nan 8.300 nan 0.000 0.497 375 P HA -0.144 nan 4.420 nan 0.000 0.217 375 P C 2.182 179.447 177.300 -0.058 0.000 1.150 375 P CA 1.851 64.848 63.100 -0.171 0.000 0.832 375 P CB -0.239 31.292 31.700 -0.283 0.000 0.787 376 L N -0.975 120.250 121.223 0.003 0.000 2.072 376 L HA -0.044 4.297 4.340 0.001 0.000 0.205 376 L C 2.920 179.807 176.870 0.028 0.000 1.079 376 L CA 1.223 56.075 54.840 0.021 0.000 0.752 376 L CB -0.670 41.428 42.059 0.064 0.000 0.906 376 L HN -0.121 nan 8.230 nan 0.000 0.436 377 R N 0.510 121.037 120.500 0.045 0.000 2.081 377 R HA -0.162 4.178 4.340 0.001 0.000 0.235 377 R C 2.301 178.617 176.300 0.028 0.000 1.131 377 R CA 1.351 57.484 56.100 0.056 0.000 0.960 377 R CB -0.004 30.360 30.300 0.107 0.000 0.856 377 R HN 0.170 nan 8.270 nan 0.000 0.436 378 I N 1.140 121.693 120.570 -0.028 0.000 2.179 378 I HA -0.191 3.979 4.170 0.001 0.000 0.242 378 I C 2.547 178.666 176.117 0.002 0.000 1.088 378 I CA 1.484 62.760 61.300 -0.040 0.000 1.357 378 I CB -1.702 36.210 38.000 -0.147 0.000 1.051 378 I HN 0.269 nan 8.210 nan 0.000 0.409 379 A N 2.118 124.945 122.820 0.013 0.000 1.851 379 A HA -0.251 4.070 4.320 0.001 0.000 0.216 379 A C 2.480 180.088 177.584 0.040 0.000 1.195 379 A CA 2.419 54.472 52.037 0.028 0.000 0.622 379 A CB -0.794 18.216 19.000 0.016 0.000 0.831 379 A HN 0.550 nan 8.150 nan 0.000 0.444 380 R N -0.960 119.563 120.500 0.038 0.000 2.092 380 R HA -0.085 4.255 4.340 0.001 0.000 0.231 380 R C 1.455 177.789 176.300 0.058 0.000 1.119 380 R CA 1.636 57.766 56.100 0.051 0.000 0.970 380 R CB -0.664 29.663 30.300 0.045 0.000 0.864 380 R HN 0.379 nan 8.270 nan 0.000 0.440 381 N N 0.481 119.211 118.700 0.050 0.000 2.309 381 N HA -0.077 4.663 4.740 0.001 0.000 0.182 381 N C 1.362 176.912 175.510 0.066 0.000 1.018 381 N CA 1.699 54.779 53.050 0.051 0.000 0.876 381 N CB -0.386 38.129 38.487 0.046 0.000 0.972 381 N HN 0.305 nan 8.380 nan 0.000 0.434 382 T N -0.217 114.379 114.554 0.071 0.000 2.622 382 T HA -0.116 4.234 4.350 0.001 0.000 0.266 382 T C 1.900 176.690 174.700 0.150 0.000 1.047 382 T CA 1.677 63.830 62.100 0.088 0.000 1.159 382 T CB -0.754 68.156 68.868 0.070 0.000 0.863 382 T HN 0.387 nan 8.240 nan 0.000 0.422 383 G N 0.768 109.683 108.800 0.193 0.000 2.408 383 G HA2 -0.072 3.888 3.960 0.001 0.000 0.217 383 G HA3 -0.072 3.888 3.960 0.001 0.000 0.217 383 G C 1.555 176.594 174.900 0.232 0.000 1.150 383 G CA 0.369 45.684 45.100 0.359 0.000 0.776 383 G HN 0.497 nan 8.290 nan 0.000 0.542 384 I N 0.328 120.951 120.570 0.088 0.000 2.252 384 I HA -0.119 4.051 4.170 0.001 0.000 0.245 384 I C 2.698 178.829 176.117 0.023 0.000 1.102 384 I CA 0.366 61.666 61.300 -0.001 0.000 1.385 384 I CB -0.179 37.816 38.000 -0.009 0.000 1.064 384 I HN 0.009 nan 8.210 nan 0.000 0.414 385 V N 0.890 120.843 119.914 0.065 0.000 2.358 385 V HA -0.240 3.880 4.120 0.001 0.000 0.246 385 V C 2.397 178.556 176.094 0.108 0.000 1.047 385 V CA 1.595 63.937 62.300 0.069 0.000 1.035 385 V CB -0.383 31.480 31.823 0.066 0.000 0.658 385 V HN 0.340 nan 8.190 nan 0.000 0.452 386 L N -0.034 121.299 121.223 0.182 0.000 2.012 386 L HA -0.193 4.147 4.340 0.001 0.000 0.210 386 L C 2.666 179.712 176.870 0.293 0.000 1.073 386 L CA 1.845 56.851 54.840 0.276 0.000 0.748 386 L CB -0.693 41.590 42.059 0.374 0.000 0.891 386 L HN 0.366 nan 8.230 nan 0.000 0.431 387 A N -0.533 122.400 122.820 0.188 0.000 1.897 387 A HA -0.151 4.169 4.320 0.001 0.000 0.215 387 A C 2.135 179.696 177.584 -0.038 0.000 1.181 387 A CA 1.388 53.394 52.037 -0.052 0.000 0.620 387 A CB -0.280 18.392 19.000 -0.546 0.000 0.821 387 A HN 0.459 nan 8.150 nan 0.000 0.443 388 E N -0.744 119.435 120.200 -0.036 0.000 2.250 388 E HA -0.041 4.310 4.350 0.001 0.000 0.192 388 E C 1.583 178.189 176.600 0.009 0.000 0.986 388 E CA 0.789 57.175 56.400 -0.025 0.000 0.849 388 E CB 0.072 29.749 29.700 -0.039 0.000 0.797 388 E HN 0.722 nan 8.360 nan 0.000 0.482 389 E N 0.273 120.492 120.200 0.032 0.000 2.206 389 E HA 0.008 4.358 4.350 0.001 0.000 0.195 389 E C 1.945 178.577 176.600 0.054 0.000 0.935 389 E CA 0.311 56.734 56.400 0.037 0.000 0.875 389 E CB 0.627 30.350 29.700 0.037 0.000 0.841 389 E HN -0.010 nan 8.360 nan 0.000 0.477 390 V N 1.666 121.630 119.914 0.082 0.000 3.235 390 V HA -0.060 4.061 4.120 0.001 0.000 0.259 390 V C 0.405 176.563 176.094 0.107 0.000 1.133 390 V CA 0.378 62.741 62.300 0.105 0.000 1.128 390 V CB -0.591 31.322 31.823 0.150 0.000 0.757 390 V HN 0.315 nan 8.190 nan 0.000 0.469 391 N N 0.501 119.258 118.700 0.094 0.000 2.721 391 N HA -0.231 4.509 4.740 0.001 0.000 0.249 391 N C 0.842 176.416 175.510 0.107 0.000 1.072 391 N CA 1.266 54.365 53.050 0.082 0.000 0.710 391 N CB -1.029 37.491 38.487 0.055 0.000 0.993 391 N HN 0.751 nan 8.380 nan 0.000 0.547 392 I N -4.332 116.333 120.570 0.159 0.000 3.251 392 I HA 0.145 4.315 4.170 0.001 0.000 0.277 392 I C 1.857 178.060 176.117 0.143 0.000 1.268 392 I CA 1.104 62.476 61.300 0.120 0.000 1.449 392 I CB -0.031 37.998 38.000 0.049 0.000 1.083 392 I HN 0.048 nan 8.210 nan 0.000 0.464 393 G N 0.884 109.840 108.800 0.261 0.000 3.042 393 G HA2 0.054 4.015 3.960 0.001 0.000 0.212 393 G HA3 0.054 4.015 3.960 0.001 0.000 0.212 393 G C 1.512 176.485 174.900 0.121 0.000 1.166 393 G CA -0.280 44.985 45.100 0.275 0.000 0.767 393 G HN 0.105 nan 8.290 nan 0.000 0.546 394 R N -0.167 120.379 120.500 0.077 0.000 2.148 394 R HA 0.077 4.418 4.340 0.001 0.000 0.223 394 R C 0.357 176.680 176.300 0.039 0.000 1.088 394 R CA 0.335 56.462 56.100 0.046 0.000 0.985 394 R CB -0.254 30.069 30.300 0.038 0.000 0.880 394 R HN 0.274 nan 8.270 nan 0.000 0.451 395 V N 2.058 121.994 119.914 0.036 0.000 2.628 395 V HA 0.240 4.360 4.120 0.001 0.000 0.306 395 V C -0.005 176.099 176.094 0.017 0.000 1.045 395 V CA -1.077 61.236 62.300 0.023 0.000 0.905 395 V CB 2.313 34.143 31.823 0.011 0.000 0.997 395 V HN 0.115 nan 8.190 nan 0.000 0.436 396 N N 2.480 121.189 118.700 0.015 0.000 2.488 396 N HA 0.132 4.872 4.740 0.001 0.000 0.274 396 N C -0.143 175.357 175.510 -0.016 0.000 1.111 396 N CA -0.075 52.981 53.050 0.009 0.000 0.974 396 N CB 0.786 39.286 38.487 0.022 0.000 1.089 396 N HN 0.902 nan 8.380 nan 0.000 0.465 397 D N 1.663 122.043 120.400 -0.033 0.000 2.980 397 D HA -0.125 4.515 4.640 0.001 0.000 0.218 397 D C -1.476 174.790 176.300 -0.057 0.000 1.225 397 D CA -0.207 53.760 54.000 -0.055 0.000 0.804 397 D CB 0.191 40.961 40.800 -0.050 0.000 0.906 397 D HN 0.401 nan 8.370 nan 0.000 0.396 398 P HA -0.086 nan 4.420 nan 0.000 0.220 398 P C 0.918 178.193 177.300 -0.041 0.000 1.148 398 P CA 1.495 64.565 63.100 -0.050 0.000 0.803 398 P CB 0.182 31.849 31.700 -0.055 0.000 0.782 399 A N -0.350 122.441 122.820 -0.048 0.000 2.275 399 A HA 0.379 4.700 4.320 0.001 0.000 0.212 399 A C 1.376 178.925 177.584 -0.058 0.000 1.201 399 A CA 0.117 52.135 52.037 -0.031 0.000 0.843 399 A CB -0.995 17.998 19.000 -0.011 0.000 0.873 399 A HN 0.233 nan 8.150 nan 0.000 0.492 400 G N -1.211 107.550 108.800 -0.066 0.000 2.299 400 G HA2 0.448 4.408 3.960 0.001 0.000 0.256 400 G HA3 0.448 4.408 3.960 0.001 0.000 0.256 400 G C 1.129 175.982 174.900 -0.078 0.000 1.259 400 G CA 0.300 45.356 45.100 -0.074 0.000 0.943 400 G HN 1.404 nan 8.290 nan 0.000 0.479 401 G N 1.368 110.126 108.800 -0.070 0.000 2.308 401 G HA2 -0.226 3.734 3.960 0.001 0.000 0.221 401 G HA3 -0.226 3.734 3.960 0.001 0.000 0.221 401 G C 1.014 175.846 174.900 -0.113 0.000 1.032 401 G CA 0.673 45.735 45.100 -0.063 0.000 0.623 401 G HN 1.859 nan 8.290 nan 0.000 0.506 402 S N 0.651 116.257 115.700 -0.156 0.000 2.626 402 S HA 0.243 4.713 4.470 0.001 0.000 0.303 402 S C 1.532 176.053 174.600 -0.131 0.000 1.256 402 S CA 0.686 58.748 58.200 -0.230 0.000 1.069 402 S CB 0.004 63.127 63.200 -0.129 0.000 0.807 402 S HN 0.429 nan 8.310 nan 0.000 0.500 403 Y N 4.052 124.346 120.300 -0.011 0.000 2.097 403 Y HA -0.186 4.364 4.550 0.001 0.000 0.282 403 Y C 2.188 178.041 175.900 -0.079 0.000 1.152 403 Y CA 1.644 59.747 58.100 0.005 0.000 1.136 403 Y CB -0.698 37.803 38.460 0.069 0.000 0.975 403 Y HN 0.879 nan 8.280 nan 0.000 0.498 404 Y N 1.142 121.304 120.300 -0.231 0.000 2.070 404 Y HA -0.260 4.290 4.550 0.001 0.000 0.280 404 Y C 2.404 177.993 175.900 -0.517 0.000 1.148 404 Y CA 1.146 58.794 58.100 -0.753 0.000 1.125 404 Y CB -0.978 37.156 38.460 -0.542 0.000 0.975 404 Y HN -0.074 nan 8.280 nan 0.000 0.492 405 V N 0.904 120.565 119.914 -0.422 0.000 2.332 405 V HA -0.271 3.850 4.120 0.001 0.000 0.248 405 V C 2.493 178.451 176.094 -0.226 0.000 1.055 405 V CA 2.252 64.320 62.300 -0.387 0.000 1.038 405 V CB -0.641 31.061 31.823 -0.203 0.000 0.651 405 V HN 0.327 nan 8.190 nan 0.000 0.450 406 E N -0.057 120.063 120.200 -0.133 0.000 2.051 406 E HA -0.178 4.173 4.350 0.001 0.000 0.192 406 E C 2.517 179.075 176.600 -0.069 0.000 0.991 406 E CA 1.661 58.018 56.400 -0.072 0.000 0.799 406 E CB -0.615 29.078 29.700 -0.010 0.000 0.748 406 E HN 0.549 nan 8.360 nan 0.000 0.449 407 S N 0.412 116.063 115.700 -0.083 0.000 2.356 407 S HA -0.129 4.341 4.470 0.001 0.000 0.223 407 S C 1.980 176.540 174.600 -0.066 0.000 1.032 407 S CA 0.862 59.037 58.200 -0.041 0.000 1.005 407 S CB -0.178 63.022 63.200 -0.001 0.000 0.867 407 S HN 0.152 nan 8.310 nan 0.000 0.449 408 L N 1.580 122.700 121.223 -0.171 0.000 2.046 408 L HA -0.030 4.311 4.340 0.001 0.000 0.208 408 L C 2.443 179.261 176.870 -0.086 0.000 1.077 408 L CA 2.230 56.994 54.840 -0.128 0.000 0.747 408 L CB -1.311 40.592 42.059 -0.260 0.000 0.896 408 L HN 0.294 nan 8.230 nan 0.000 0.432 409 T N -0.615 113.878 114.554 -0.103 0.000 2.652 409 T HA -0.207 4.143 4.350 0.001 0.000 0.267 409 T C 2.093 176.771 174.700 -0.036 0.000 1.039 409 T CA 1.360 63.417 62.100 -0.071 0.000 1.153 409 T CB -0.260 68.565 68.868 -0.072 0.000 0.863 409 T HN 0.174 nan 8.240 nan 0.000 0.428 410 R N 1.036 121.520 120.500 -0.026 0.000 2.081 410 R HA 0.049 4.389 4.340 0.001 0.000 0.235 410 R C 2.732 179.040 176.300 0.012 0.000 1.131 410 R CA 1.207 57.301 56.100 -0.009 0.000 0.960 410 R CB -0.964 29.335 30.300 -0.002 0.000 0.856 410 R HN 0.323 nan 8.270 nan 0.000 0.436 411 S N 1.026 116.741 115.700 0.024 0.000 2.368 411 S HA -0.050 4.420 4.470 0.001 0.000 0.225 411 S C 2.028 176.653 174.600 0.043 0.000 1.030 411 S CA 0.946 59.174 58.200 0.046 0.000 0.999 411 S CB -0.119 63.121 63.200 0.067 0.000 0.844 411 S HN 0.246 nan 8.310 nan 0.000 0.459 412 L N 0.950 122.187 121.223 0.023 0.000 2.056 412 L HA -0.080 4.260 4.340 0.001 0.000 0.207 412 L C 2.825 179.717 176.870 0.037 0.000 1.078 412 L CA 1.137 55.988 54.840 0.018 0.000 0.749 412 L CB -0.769 41.284 42.059 -0.010 0.000 0.901 412 L HN 0.312 nan 8.230 nan 0.000 0.433 413 A N 0.216 123.056 122.820 0.033 0.000 1.858 413 A HA -0.236 4.085 4.320 0.001 0.000 0.216 413 A C 1.941 179.597 177.584 0.120 0.000 1.190 413 A CA 2.048 54.123 52.037 0.063 0.000 0.617 413 A CB -0.599 18.410 19.000 0.016 0.000 0.827 413 A HN 0.357 nan 8.150 nan 0.000 0.443 414 D N 0.120 120.572 120.400 0.087 0.000 2.104 414 D HA -0.082 4.558 4.640 0.001 0.000 0.194 414 D C 2.230 178.634 176.300 0.174 0.000 0.994 414 D CA 1.653 55.729 54.000 0.126 0.000 0.830 414 D CB -0.548 40.299 40.800 0.077 0.000 0.959 414 D HN 0.430 nan 8.370 nan 0.000 0.452 415 A N 1.000 123.893 122.820 0.122 0.000 1.902 415 A HA -0.022 4.298 4.320 0.001 0.000 0.217 415 A C 2.290 179.944 177.584 0.117 0.000 1.181 415 A CA 2.164 54.264 52.037 0.105 0.000 0.623 415 A CB -0.610 18.429 19.000 0.065 0.000 0.818 415 A HN 0.245 nan 8.150 nan 0.000 0.443 416 A N -1.886 121.007 122.820 0.122 0.000 2.014 416 A HA -0.088 4.232 4.320 0.001 0.000 0.218 416 A C 2.034 179.765 177.584 0.244 0.000 1.163 416 A CA 1.011 53.115 52.037 0.111 0.000 0.652 416 A CB -0.685 18.350 19.000 0.058 0.000 0.808 416 A HN 0.833 nan 8.150 nan 0.000 0.449 417 W N 1.057 122.437 121.300 0.133 0.000 2.409 417 W HA -0.154 4.506 4.660 0.001 0.000 0.299 417 W C 2.025 178.667 176.519 0.206 0.000 1.203 417 W CA 1.962 59.450 57.345 0.237 0.000 1.298 417 W CB -0.095 29.472 29.460 0.178 0.000 1.127 417 W HN 0.371 nan 8.180 nan 0.000 0.528 418 K N 1.117 121.693 120.400 0.293 0.000 2.009 418 K HA -0.291 4.029 4.320 0.001 0.000 0.210 418 K C 1.926 178.582 176.600 0.094 0.000 1.049 418 K CA 2.282 58.666 56.287 0.162 0.000 0.929 418 K CB -0.617 31.975 32.500 0.153 0.000 0.714 418 K HN -0.047 nan 8.250 nan 0.000 0.440 419 E N -0.297 119.973 120.200 0.117 0.000 2.150 419 E HA -0.174 4.177 4.350 0.001 0.000 0.193 419 E C 1.737 178.439 176.600 0.169 0.000 0.985 419 E CA 1.125 57.607 56.400 0.136 0.000 0.814 419 E CB -0.487 29.271 29.700 0.097 0.000 0.752 419 E HN 0.385 nan 8.360 nan 0.000 0.466 420 F N 1.397 121.325 119.950 -0.037 0.000 2.134 420 F HA -0.122 4.406 4.527 0.002 0.000 0.299 420 F C 1.970 177.651 175.800 -0.198 0.000 1.097 420 F CA 1.926 59.859 58.000 -0.112 0.000 1.264 420 F CB -0.660 38.185 39.000 -0.257 0.000 1.001 420 F HN 0.088 nan 8.300 nan 0.000 0.479 421 Q N -0.208 119.315 119.800 -0.462 0.000 2.124 421 Q HA -0.178 4.162 4.340 0.001 0.000 0.202 421 Q C 2.118 177.952 176.000 -0.276 0.000 0.977 421 Q CA 1.514 57.020 55.803 -0.494 0.000 0.850 421 Q CB -0.208 28.341 28.738 -0.314 0.000 0.901 421 Q HN 0.387 nan 8.270 nan 0.000 0.429 422 E N 0.048 120.163 120.200 -0.142 0.000 2.072 422 E HA -0.128 4.222 4.350 0.001 0.000 0.191 422 E C 2.144 178.625 176.600 -0.198 0.000 0.985 422 E CA 0.766 57.100 56.400 -0.109 0.000 0.801 422 E CB -0.158 29.539 29.700 -0.005 0.000 0.750 422 E HN 0.150 nan 8.360 nan 0.000 0.452 423 V N 1.908 121.715 119.914 -0.179 0.000 2.295 423 V HA -0.211 3.910 4.120 0.001 0.000 0.246 423 V C 2.338 178.317 176.094 -0.192 0.000 1.049 423 V CA 1.602 63.782 62.300 -0.200 0.000 1.024 423 V CB -0.333 31.483 31.823 -0.012 0.000 0.648 423 V HN 0.183 nan 8.190 nan 0.000 0.447 424 E N 0.185 120.238 120.200 -0.246 0.000 2.058 424 E HA -0.231 4.119 4.350 0.001 0.000 0.194 424 E C 2.395 178.880 176.600 -0.191 0.000 0.997 424 E CA 1.743 57.986 56.400 -0.261 0.000 0.801 424 E CB -0.382 29.046 29.700 -0.453 0.000 0.746 424 E HN 0.468 nan 8.360 nan 0.000 0.450 425 K N 0.834 121.123 120.400 -0.185 0.000 2.152 425 K HA -0.087 4.233 4.320 0.001 0.000 0.206 425 K C 2.214 178.747 176.600 -0.111 0.000 1.048 425 K CA 0.785 56.992 56.287 -0.134 0.000 0.933 425 K CB -0.636 31.793 32.500 -0.120 0.000 0.721 425 K HN 0.201 nan 8.250 nan 0.000 0.447 426 L N -0.939 120.205 121.223 -0.132 0.000 2.599 426 L HA 0.254 4.594 4.340 0.001 0.000 0.230 426 L C 1.662 178.474 176.870 -0.096 0.000 1.141 426 L CA 0.717 55.484 54.840 -0.121 0.000 0.877 426 L CB 0.066 42.015 42.059 -0.184 0.000 1.009 426 L HN 0.657 nan 8.230 nan 0.000 0.447 427 G N -0.870 107.877 108.800 -0.088 0.000 2.168 427 G HA2 0.015 3.976 3.960 0.001 0.000 0.197 427 G HA3 0.015 3.976 3.960 0.001 0.000 0.197 427 G C 0.504 175.374 174.900 -0.050 0.000 0.997 427 G CA -0.295 44.770 45.100 -0.059 0.000 0.658 427 G HN 0.797 nan 8.290 nan 0.000 0.513 428 G N -1.902 106.855 108.800 -0.071 0.000 2.612 428 G HA2 0.223 4.183 3.960 0.001 0.000 0.686 428 G HA3 0.223 4.183 3.960 0.001 0.000 0.686 428 G C 0.493 175.359 174.900 -0.057 0.000 1.274 428 G CA 0.361 45.436 45.100 -0.041 0.000 0.849 428 G HN 1.292 nan 8.290 nan 0.000 0.595 429 M N 0.774 120.351 119.600 -0.039 0.000 2.149 429 M HA -0.017 4.464 4.480 0.001 0.000 0.261 429 M C 2.645 178.900 176.300 -0.075 0.000 1.064 429 M CA 3.101 58.351 55.300 -0.083 0.000 1.102 429 M CB -0.724 31.830 32.600 -0.076 0.000 1.369 429 M HN 0.725 nan 8.290 nan 0.000 0.408 430 S N -0.604 115.082 115.700 -0.023 0.000 2.359 430 S HA -0.184 4.286 4.470 0.001 0.000 0.224 430 S C 2.068 176.656 174.600 -0.021 0.000 1.035 430 S CA 1.661 59.862 58.200 0.002 0.000 1.018 430 S CB -0.370 62.854 63.200 0.040 0.000 0.876 430 S HN 0.468 nan 8.310 nan 0.000 0.448 431 K N 1.310 121.691 120.400 -0.031 0.000 2.057 431 K HA 0.109 4.429 4.320 0.001 0.000 0.207 431 K C 2.508 179.071 176.600 -0.061 0.000 1.049 431 K CA 0.902 57.166 56.287 -0.039 0.000 0.931 431 K CB -1.117 31.358 32.500 -0.041 0.000 0.714 431 K HN 0.518 nan 8.250 nan 0.000 0.440 432 A N 0.391 123.150 122.820 -0.102 0.000 1.933 432 A HA -0.110 4.211 4.320 0.001 0.000 0.218 432 A C 2.408 179.915 177.584 -0.127 0.000 1.175 432 A CA 1.883 53.845 52.037 -0.126 0.000 0.628 432 A CB -0.620 18.250 19.000 -0.218 0.000 0.814 432 A HN 0.252 nan 8.150 nan 0.000 0.444 433 V N -0.472 119.361 119.914 -0.135 0.000 2.453 433 V HA -0.223 3.897 4.120 0.001 0.000 0.247 433 V C 2.557 178.617 176.094 -0.055 0.000 1.048 433 V CA 2.012 64.250 62.300 -0.103 0.000 1.049 433 V CB -0.558 31.230 31.823 -0.058 0.000 0.672 433 V HN 0.568 nan 8.190 nan 0.000 0.457 434 M N -0.083 119.494 119.600 -0.038 0.000 2.254 434 M HA -0.036 4.445 4.480 0.001 0.000 0.265 434 M C 1.537 177.826 176.300 -0.019 0.000 1.066 434 M CA 1.402 56.688 55.300 -0.023 0.000 1.123 434 M CB -0.380 32.213 32.600 -0.012 0.000 1.388 434 M HN 0.629 nan 8.290 nan 0.000 0.425 435 T N -2.340 112.204 114.554 -0.016 0.000 2.994 435 T HA 0.090 4.440 4.350 0.001 0.000 0.322 435 T C 0.741 175.443 174.700 0.004 0.000 1.199 435 T CA -0.367 61.732 62.100 -0.002 0.000 0.945 435 T CB 0.534 69.406 68.868 0.006 0.000 1.754 435 T HN 0.025 nan 8.240 nan 0.000 0.571 436 E N -1.177 119.037 120.200 0.022 0.000 2.501 436 E HA 0.155 4.505 4.350 0.001 0.000 0.200 436 E C 1.304 177.922 176.600 0.030 0.000 1.016 436 E CA -0.048 56.363 56.400 0.018 0.000 0.921 436 E CB -0.577 29.134 29.700 0.018 0.000 1.034 436 E HN 0.803 nan 8.360 nan 0.000 0.468 437 H N 0.764 119.808 119.070 -0.042 0.000 2.270 437 H HA -0.088 4.468 4.556 0.001 0.000 0.299 437 H C 2.005 177.308 175.328 -0.041 0.000 1.077 437 H CA 2.425 58.455 56.048 -0.030 0.000 1.294 437 H CB -0.311 29.419 29.762 -0.054 0.000 1.371 437 H HN 0.166 nan 8.280 nan 0.000 0.491 438 V N -0.009 119.812 119.914 -0.155 0.000 2.252 438 V HA -0.337 3.784 4.120 0.001 0.000 0.249 438 V C 2.454 178.508 176.094 -0.068 0.000 1.056 438 V CA 2.444 64.543 62.300 -0.335 0.000 1.022 438 V CB -0.953 30.552 31.823 -0.529 0.000 0.641 438 V HN 0.599 nan 8.190 nan 0.000 0.445 439 T N -0.484 114.055 114.554 -0.025 0.000 2.699 439 T HA -0.280 4.070 4.350 0.001 0.000 0.268 439 T C 1.955 176.673 174.700 0.029 0.000 1.036 439 T CA 1.978 64.094 62.100 0.026 0.000 1.147 439 T CB -0.258 68.618 68.868 0.013 0.000 0.862 439 T HN 0.476 nan 8.240 nan 0.000 0.446 440 K N 0.770 121.164 120.400 -0.010 0.000 2.097 440 K HA -0.048 4.273 4.320 0.001 0.000 0.205 440 K C 2.191 178.785 176.600 -0.010 0.000 1.050 440 K CA 0.926 57.203 56.287 -0.016 0.000 0.938 440 K CB -0.179 32.298 32.500 -0.039 0.000 0.718 440 K HN 0.205 nan 8.250 nan 0.000 0.442 441 V N 1.839 121.748 119.914 -0.010 0.000 2.379 441 V HA -0.210 3.911 4.120 0.001 0.000 0.245 441 V C 2.360 178.521 176.094 0.113 0.000 1.044 441 V CA 1.312 63.646 62.300 0.058 0.000 1.036 441 V CB -0.292 31.642 31.823 0.186 0.000 0.664 441 V HN 0.289 nan 8.190 nan 0.000 0.453 442 L N -0.246 121.090 121.223 0.188 0.000 2.093 442 L HA -0.163 4.178 4.340 0.001 0.000 0.208 442 L C 2.372 179.303 176.870 0.101 0.000 1.085 442 L CA 1.437 56.380 54.840 0.172 0.000 0.755 442 L CB -0.728 41.467 42.059 0.227 0.000 0.904 442 L HN 0.338 nan 8.230 nan 0.000 0.435 443 D N 0.314 120.760 120.400 0.076 0.000 2.117 443 D HA -0.152 4.488 4.640 0.001 0.000 0.197 443 D C 2.240 178.563 176.300 0.038 0.000 0.987 443 D CA 1.535 55.567 54.000 0.053 0.000 0.829 443 D CB -0.043 40.781 40.800 0.039 0.000 0.961 443 D HN 0.298 nan 8.370 nan 0.000 0.460 444 A N 0.439 123.278 122.820 0.032 0.000 1.877 444 A HA -0.193 4.127 4.320 0.001 0.000 0.216 444 A C 2.590 180.186 177.584 0.021 0.000 1.186 444 A CA 1.444 53.494 52.037 0.021 0.000 0.620 444 A CB -1.019 17.990 19.000 0.014 0.000 0.822 444 A HN 0.348 nan 8.150 nan 0.000 0.443 445 C N -0.256 119.058 119.300 0.023 0.000 2.432 445 C HA -0.100 4.360 4.460 0.001 0.000 0.277 445 C C 2.678 177.680 174.990 0.022 0.000 1.249 445 C CA 1.201 60.229 59.018 0.017 0.000 1.725 445 C CB -1.472 26.276 27.740 0.012 0.000 2.028 445 C HN 0.639 nan 8.230 nan 0.000 0.477 446 N N 1.090 119.809 118.700 0.032 0.000 2.223 446 N HA -0.074 4.666 4.740 0.001 0.000 0.185 446 N C 1.741 177.262 175.510 0.017 0.000 1.016 446 N CA 1.624 54.693 53.050 0.030 0.000 0.863 446 N CB -0.422 38.095 38.487 0.051 0.000 0.983 446 N HN 0.586 nan 8.380 nan 0.000 0.429 447 A N 0.616 123.446 122.820 0.017 0.000 1.930 447 A HA -0.062 4.259 4.320 0.001 0.000 0.215 447 A C 2.191 179.780 177.584 0.009 0.000 1.176 447 A CA 1.174 53.216 52.037 0.008 0.000 0.632 447 A CB -0.281 18.724 19.000 0.010 0.000 0.819 447 A HN 0.199 nan 8.150 nan 0.000 0.445 448 E N 0.438 120.647 120.200 0.014 0.000 2.047 448 E HA -0.165 4.186 4.350 0.001 0.000 0.191 448 E C 2.147 178.759 176.600 0.020 0.000 0.987 448 E CA 1.530 57.941 56.400 0.017 0.000 0.799 448 E CB -0.310 29.401 29.700 0.020 0.000 0.752 448 E HN 0.518 nan 8.360 nan 0.000 0.449 449 R N -0.281 120.231 120.500 0.020 0.000 2.083 449 R HA -0.122 4.218 4.340 0.001 0.000 0.237 449 R C 2.231 178.540 176.300 0.015 0.000 1.137 449 R CA 1.490 57.604 56.100 0.023 0.000 0.951 449 R CB -0.473 29.838 30.300 0.018 0.000 0.851 449 R HN 0.260 nan 8.270 nan 0.000 0.434 450 A N 1.725 124.544 122.820 -0.002 0.000 1.908 450 A HA -0.236 4.085 4.320 0.001 0.000 0.218 450 A C 2.089 179.662 177.584 -0.018 0.000 1.181 450 A CA 1.800 53.822 52.037 -0.025 0.000 0.627 450 A CB -0.615 18.362 19.000 -0.039 0.000 0.818 450 A HN 0.391 nan 8.150 nan 0.000 0.445 451 K N -0.220 120.178 120.400 -0.003 0.000 2.057 451 K HA -0.140 4.181 4.320 0.001 0.000 0.206 451 K C 2.141 178.752 176.600 0.019 0.000 1.050 451 K CA 1.447 57.737 56.287 0.005 0.000 0.935 451 K CB -0.296 32.210 32.500 0.010 0.000 0.715 451 K HN 0.460 nan 8.250 nan 0.000 0.439 452 R N 0.425 120.943 120.500 0.029 0.000 2.092 452 R HA -0.016 4.324 4.340 0.001 0.000 0.231 452 R C 2.519 178.853 176.300 0.057 0.000 1.119 452 R CA 1.226 57.350 56.100 0.041 0.000 0.970 452 R CB -0.256 30.073 30.300 0.048 0.000 0.864 452 R HN 0.218 nan 8.270 nan 0.000 0.440 453 L N -0.191 121.075 121.223 0.071 0.000 2.109 453 L HA -0.082 4.258 4.340 0.001 0.000 0.207 453 L C 2.600 179.586 176.870 0.194 0.000 1.086 453 L CA 1.057 55.985 54.840 0.147 0.000 0.760 453 L CB -0.450 41.689 42.059 0.133 0.000 0.910 453 L HN 0.217 nan 8.230 nan 0.000 0.437 454 A N 1.178 124.043 122.820 0.076 0.000 1.969 454 A HA -0.178 4.143 4.320 0.001 0.000 0.218 454 A C 1.806 179.413 177.584 0.038 0.000 1.169 454 A CA 1.855 53.920 52.037 0.047 0.000 0.635 454 A CB -0.570 18.415 19.000 -0.025 0.000 0.810 454 A HN 0.640 nan 8.150 nan 0.000 0.445 455 N N -1.791 116.921 118.700 0.021 0.000 2.280 455 N HA 0.041 4.781 4.740 0.001 0.000 0.192 455 N C 0.366 175.869 175.510 -0.012 0.000 1.109 455 N CA 0.263 53.306 53.050 -0.011 0.000 0.855 455 N CB -0.206 38.280 38.487 -0.002 0.000 0.974 455 N HN 0.453 nan 8.380 nan 0.000 0.482 456 R N -0.646 119.858 120.500 0.007 0.000 3.878 456 R HA -0.178 4.162 4.340 0.001 0.000 0.330 456 R C 0.469 176.766 176.300 -0.004 0.000 1.186 456 R CA 1.089 57.180 56.100 -0.015 0.000 0.885 456 R CB -1.850 28.399 30.300 -0.084 0.000 1.377 456 R HN 0.344 nan 8.270 nan 0.000 0.523 457 K N 0.786 121.196 120.400 0.017 0.000 2.148 457 K HA -0.133 4.187 4.320 0.001 0.000 0.204 457 K C 1.082 177.699 176.600 0.028 0.000 1.050 457 K CA 1.085 57.387 56.287 0.026 0.000 0.942 457 K CB 0.089 32.611 32.500 0.036 0.000 0.724 457 K HN 0.239 nan 8.250 nan 0.000 0.446 458 Q N 1.447 121.268 119.800 0.035 0.000 2.571 458 Q HA 0.178 4.518 4.340 0.001 0.000 0.243 458 Q C -2.587 173.430 176.000 0.029 0.000 1.055 458 Q CA -2.455 53.373 55.803 0.042 0.000 0.815 458 Q CB 1.133 29.912 28.738 0.068 0.000 1.151 458 Q HN -0.087 nan 8.270 nan 0.000 0.519 459 P HA 0.211 nan 4.420 nan 0.000 0.277 459 P C -0.682 176.584 177.300 -0.057 0.000 1.240 459 P CA -0.159 62.907 63.100 -0.056 0.000 0.798 459 P CB 1.325 32.978 31.700 -0.078 0.000 0.979 460 I N 1.265 121.770 120.570 -0.107 0.000 2.382 460 I HA 0.156 4.327 4.170 0.001 0.000 0.285 460 I C 0.398 176.452 176.117 -0.105 0.000 1.007 460 I CA -0.510 60.744 61.300 -0.077 0.000 1.142 460 I CB 1.276 39.245 38.000 -0.051 0.000 1.289 460 I HN 0.151 nan 8.210 nan 0.000 0.453 461 T N 5.558 120.078 114.554 -0.057 0.000 2.871 461 T HA 0.151 4.501 4.350 0.001 0.000 0.296 461 T C 1.093 175.780 174.700 -0.022 0.000 0.998 461 T CA 0.812 62.894 62.100 -0.030 0.000 1.162 461 T CB 0.651 69.513 68.868 -0.010 0.000 0.947 461 T HN 0.926 nan 8.240 nan 0.000 0.536 462 A N 2.594 125.406 122.820 -0.012 0.000 2.979 462 A HA -0.157 4.163 4.320 0.001 0.000 0.260 462 A C 1.272 178.828 177.584 -0.047 0.000 1.282 462 A CA 1.216 53.253 52.037 0.000 0.000 0.971 462 A CB -2.141 16.876 19.000 0.028 0.000 1.124 462 A HN 0.676 nan 8.150 nan 0.000 0.826 463 V N -1.027 118.807 119.914 -0.133 0.000 3.134 463 V HA 0.093 4.213 4.120 0.001 0.000 0.222 463 V C 2.133 177.967 176.094 -0.433 0.000 1.247 463 V CA 1.725 63.900 62.300 -0.209 0.000 1.281 463 V CB 0.723 32.440 31.823 -0.177 0.000 1.169 463 V HN 1.227 nan 8.190 nan 0.000 0.512 464 S N -1.352 113.995 115.700 -0.587 0.000 2.523 464 S HA 0.271 4.742 4.470 0.001 0.000 0.217 464 S C 0.310 174.637 174.600 -0.455 0.000 0.996 464 S CA -0.126 57.642 58.200 -0.721 0.000 0.921 464 S CB 0.363 62.969 63.200 -0.990 0.000 0.829 464 S HN 0.419 nan 8.310 nan 0.000 0.495 465 E N 0.873 120.871 120.200 -0.337 0.000 2.265 465 E HA 0.417 4.767 4.350 0.001 0.000 0.262 465 E C -1.128 175.359 176.600 -0.187 0.000 0.889 465 E CA -0.858 55.331 56.400 -0.352 0.000 0.789 465 E CB 1.054 30.624 29.700 -0.216 0.000 1.221 465 E HN 0.307 nan 8.360 nan 0.000 0.414 466 F N 1.269 121.150 119.950 -0.114 0.000 2.866 466 F HA -0.214 4.314 4.527 0.001 0.000 0.254 466 F C -1.736 174.039 175.800 -0.042 0.000 1.009 466 F CA -0.112 57.850 58.000 -0.063 0.000 0.907 466 F CB -1.106 37.867 39.000 -0.045 0.000 0.859 466 F HN 0.233 nan 8.300 nan 0.000 0.842 467 P HA 0.314 nan 4.420 nan 0.000 0.276 467 P C -0.382 176.962 177.300 0.073 0.000 1.244 467 P CA -0.460 62.664 63.100 0.040 0.000 0.801 467 P CB 1.439 33.136 31.700 -0.006 0.000 1.006 468 M N 2.057 121.675 119.600 0.030 0.000 2.197 468 M HA 0.381 4.861 4.480 0.001 0.000 0.301 468 M C -0.825 175.452 176.300 -0.039 0.000 0.987 468 M CA -0.874 54.419 55.300 -0.013 0.000 0.921 468 M CB 0.910 33.510 32.600 0.001 0.000 1.569 468 M HN 0.162 nan 8.290 nan 0.000 0.431 469 I N 4.941 125.445 120.570 -0.110 0.000 2.598 469 I HA 0.183 4.353 4.170 0.001 0.000 0.284 469 I C 1.212 177.303 176.117 -0.042 0.000 1.140 469 I CA 1.081 62.336 61.300 -0.075 0.000 1.420 469 I CB 0.527 38.456 38.000 -0.119 0.000 1.387 469 I HN 1.072 nan 8.210 nan 0.000 0.553 470 G N 4.403 113.198 108.800 -0.008 0.000 2.132 470 G HA2 -0.171 3.790 3.960 0.001 0.000 0.228 470 G HA3 -0.171 3.790 3.960 0.001 0.000 0.228 470 G C 0.376 175.288 174.900 0.019 0.000 1.000 470 G CA -0.165 44.939 45.100 0.006 0.000 0.693 470 G HN 1.015 nan 8.290 nan 0.000 0.515 471 A N -0.016 122.821 122.820 0.028 0.000 2.561 471 A HA 0.511 4.832 4.320 0.001 0.000 0.234 471 A C 1.037 178.667 177.584 0.077 0.000 1.055 471 A CA 0.857 52.922 52.037 0.046 0.000 0.756 471 A CB 0.134 19.168 19.000 0.058 0.000 0.986 471 A HN 0.932 nan 8.150 nan 0.000 0.505 472 R N 1.715 122.264 120.500 0.082 0.000 2.583 472 R HA 0.199 4.539 4.340 0.001 0.000 0.274 472 R C 0.486 176.932 176.300 0.244 0.000 0.998 472 R CA 0.885 57.062 56.100 0.128 0.000 1.081 472 R CB 0.235 30.579 30.300 0.074 0.000 0.940 472 R HN 0.844 nan 8.270 nan 0.000 0.413 473 S N 2.982 118.814 115.700 0.220 0.000 2.786 473 S HA 0.709 5.179 4.470 0.001 0.000 0.302 473 S C -0.799 173.953 174.600 0.253 0.000 1.080 473 S CA -0.944 57.387 58.200 0.219 0.000 0.925 473 S CB 0.913 64.185 63.200 0.120 0.000 1.325 473 S HN 0.579 nan 8.310 nan 0.000 0.576 474 I N 0.581 121.240 120.570 0.147 0.000 2.841 474 I HA 0.411 4.582 4.170 0.001 0.000 0.298 474 I C -1.210 174.927 176.117 0.033 0.000 1.304 474 I CA -0.563 60.815 61.300 0.131 0.000 1.019 474 I CB 1.889 39.979 38.000 0.150 0.000 1.282 474 I HN 0.563 nan 8.210 nan 0.000 0.432 475 E N 4.440 124.659 120.200 0.033 0.000 2.360 475 E HA 0.333 4.683 4.350 0.001 0.000 0.269 475 E C -0.608 175.958 176.600 -0.057 0.000 1.022 475 E CA 0.083 56.477 56.400 -0.010 0.000 0.887 475 E CB 1.387 31.089 29.700 0.003 0.000 0.990 475 E HN 0.664 nan 8.360 nan 0.000 0.426 476 T N -0.297 114.196 114.554 -0.102 0.000 2.838 476 T HA 0.491 4.841 4.350 0.001 0.000 0.292 476 T C -0.286 174.306 174.700 -0.179 0.000 1.113 476 T CA -1.122 60.877 62.100 -0.168 0.000 1.008 476 T CB 1.631 70.352 68.868 -0.245 0.000 1.259 476 T HN 0.154 nan 8.240 nan 0.000 0.520 477 K N 1.716 121.973 120.400 -0.238 0.000 2.183 477 K HA 0.477 4.798 4.320 0.001 0.000 0.274 477 K C -2.656 173.781 176.600 -0.272 0.000 1.009 477 K CA -2.146 54.008 56.287 -0.221 0.000 0.888 477 K CB 0.956 33.311 32.500 -0.242 0.000 1.078 477 K HN 0.391 nan 8.250 nan 0.000 0.459 478 P HA -0.072 nan 4.420 nan 0.000 0.264 478 P C -0.658 176.569 177.300 -0.122 0.000 1.183 478 P CA 0.332 63.350 63.100 -0.137 0.000 0.763 478 P CB 0.246 31.920 31.700 -0.042 0.000 0.807 479 F N 3.817 123.766 119.950 -0.002 0.000 2.471 479 F HA 0.192 4.719 4.527 0.001 0.000 0.353 479 F C -0.983 174.815 175.800 -0.003 0.000 1.113 479 F CA -1.439 56.564 58.000 0.004 0.000 1.262 479 F CB -0.432 38.589 39.000 0.035 0.000 1.146 479 F HN 0.258 nan 8.300 nan 0.000 0.578 480 P HA 0.150 nan 4.420 nan 0.000 0.271 480 P C -0.899 176.444 177.300 0.072 0.000 1.218 480 P CA -0.514 62.639 63.100 0.088 0.000 0.780 480 P CB 0.481 32.211 31.700 0.050 0.000 0.901 481 A N 2.147 124.985 122.820 0.031 0.000 2.540 481 A HA 0.422 4.743 4.320 0.001 0.000 0.239 481 A C 0.470 178.030 177.584 -0.040 0.000 1.061 481 A CA 0.359 52.399 52.037 0.006 0.000 0.758 481 A CB -0.564 18.431 19.000 -0.009 0.000 0.991 481 A HN 0.661 nan 8.150 nan 0.000 0.502 482 A N 3.946 126.736 122.820 -0.049 0.000 2.337 482 A HA 0.769 5.090 4.320 0.001 0.000 0.329 482 A C -2.389 175.117 177.584 -0.130 0.000 1.146 482 A CA -1.664 50.306 52.037 -0.112 0.000 0.800 482 A CB 0.205 19.189 19.000 -0.027 0.000 1.220 482 A HN 0.721 nan 8.150 nan 0.000 0.472 483 P HA 0.370 nan 4.420 nan 0.000 0.268 483 P C 0.071 177.351 177.300 -0.034 0.000 1.205 483 P CA 0.041 63.011 63.100 -0.215 0.000 0.771 483 P CB 0.588 32.052 31.700 -0.393 0.000 0.858 484 A N 4.117 126.923 122.820 -0.022 0.000 2.425 484 A HA 0.319 4.640 4.320 0.001 0.000 0.242 484 A C 0.376 177.969 177.584 0.015 0.000 1.077 484 A CA -0.074 51.959 52.037 -0.007 0.000 0.781 484 A CB 0.064 19.052 19.000 -0.020 0.000 1.020 484 A HN 0.549 nan 8.150 nan 0.000 0.494 485 R N 0.505 120.980 120.500 -0.043 0.000 2.803 485 R HA 0.446 4.787 4.340 0.001 0.000 0.276 485 R C 0.020 176.244 176.300 -0.127 0.000 0.978 485 R CA -0.917 55.116 56.100 -0.112 0.000 0.939 485 R CB 1.797 31.943 30.300 -0.256 0.000 1.179 485 R HN 0.490 nan 8.270 nan 0.000 0.472 486 K N 0.212 120.528 120.400 -0.141 0.000 2.353 486 K HA 0.173 4.494 4.320 0.001 0.000 0.195 486 K C 0.884 177.407 176.600 -0.127 0.000 1.031 486 K CA 0.511 56.732 56.287 -0.111 0.000 1.079 486 K CB 1.020 33.471 32.500 -0.083 0.000 0.857 486 K HN 0.802 nan 8.250 nan 0.000 0.535 487 G N 0.552 109.240 108.800 -0.186 0.000 2.783 487 G HA2 0.364 4.324 3.960 0.001 0.000 0.182 487 G HA3 0.364 4.324 3.960 0.001 0.000 0.182 487 G C 0.006 174.815 174.900 -0.151 0.000 1.516 487 G CA -0.835 44.161 45.100 -0.172 0.000 1.079 487 G HN 0.309 nan 8.290 nan 0.000 0.573 488 L N 1.213 122.351 121.223 -0.142 0.000 2.601 488 L HA 0.285 4.626 4.340 0.001 0.000 0.277 488 L C 1.048 177.850 176.870 -0.112 0.000 1.219 488 L CA -0.441 54.361 54.840 -0.063 0.000 0.915 488 L CB 0.068 42.150 42.059 0.038 0.000 1.160 488 L HN 0.447 nan 8.230 nan 0.000 0.494 489 A N 4.542 127.357 122.820 -0.008 0.000 2.401 489 A HA 0.312 4.632 4.320 0.001 0.000 0.259 489 A C -0.978 176.662 177.584 0.093 0.000 1.103 489 A CA -0.260 51.751 52.037 -0.044 0.000 0.789 489 A CB 0.121 19.144 19.000 0.038 0.000 1.035 489 A HN 0.633 nan 8.150 nan 0.000 0.491 490 W N 2.373 123.491 121.300 -0.303 0.000 2.361 490 W HA 0.469 5.130 4.660 0.001 0.000 0.314 490 W C -0.305 176.130 176.519 -0.141 0.000 1.041 490 W CA -0.230 57.014 57.345 -0.169 0.000 1.241 490 W CB 0.687 29.972 29.460 -0.292 0.000 1.279 490 W HN 0.601 nan 8.180 nan 0.000 0.436 491 H N 2.697 122.040 119.070 0.455 0.000 2.689 491 H HA 0.386 4.942 4.556 0.001 0.000 0.346 491 H C 0.247 175.613 175.328 0.063 0.000 1.037 491 H CA -0.925 55.289 56.048 0.277 0.000 1.234 491 H CB 1.922 31.763 29.762 0.132 0.000 1.572 491 H HN 0.174 nan 8.280 nan 0.000 0.524 492 R N 1.066 121.516 120.500 -0.084 0.000 2.694 492 R HA -0.016 4.324 4.340 0.001 0.000 0.268 492 R C 0.432 176.656 176.300 -0.127 0.000 1.061 492 R CA -0.396 55.490 56.100 -0.356 0.000 1.133 492 R CB 0.774 30.740 30.300 -0.557 0.000 1.020 492 R HN 0.580 nan 8.270 nan 0.000 0.475 493 D N 0.314 120.647 120.400 -0.112 0.000 2.178 493 D HA -0.129 4.511 4.640 0.001 0.000 0.201 493 D C 1.488 177.805 176.300 0.029 0.000 0.980 493 D CA 1.730 55.714 54.000 -0.026 0.000 0.842 493 D CB -0.048 40.759 40.800 0.012 0.000 0.948 493 D HN 0.520 nan 8.370 nan 0.000 0.472 494 S N -0.457 115.267 115.700 0.040 0.000 2.631 494 S HA 0.075 4.545 4.470 0.001 0.000 0.217 494 S C 1.497 176.150 174.600 0.089 0.000 0.958 494 S CA -0.150 58.149 58.200 0.166 0.000 0.920 494 S CB 0.132 63.417 63.200 0.142 0.000 0.776 494 S HN 0.155 nan 8.310 nan 0.000 0.517 495 E N 1.011 121.204 120.200 -0.011 0.000 2.085 495 E HA -0.121 4.229 4.350 0.001 0.000 0.194 495 E C 1.989 178.529 176.600 -0.101 0.000 0.994 495 E CA 1.290 57.672 56.400 -0.030 0.000 0.801 495 E CB -0.343 29.351 29.700 -0.010 0.000 0.743 495 E HN 0.411 nan 8.360 nan 0.000 0.453 496 V N 0.375 120.144 119.914 -0.241 0.000 2.332 496 V HA -0.275 3.845 4.120 0.001 0.000 0.248 496 V C 1.766 177.621 176.094 -0.399 0.000 1.055 496 V CA 1.851 63.922 62.300 -0.382 0.000 1.038 496 V CB -0.374 31.126 31.823 -0.538 0.000 0.651 496 V HN 0.254 nan 8.190 nan 0.000 0.450 497 F N 0.349 120.282 119.950 -0.029 0.000 2.259 497 F HA -0.067 4.461 4.527 0.001 0.000 0.298 497 F C 2.407 178.201 175.800 -0.010 0.000 1.088 497 F CA 1.539 59.524 58.000 -0.025 0.000 1.358 497 F CB -0.390 38.591 39.000 -0.031 0.000 1.040 497 F HN 0.207 nan 8.300 nan 0.000 0.505 498 E N 0.162 120.443 120.200 0.135 0.000 2.150 498 E HA -0.206 4.144 4.350 0.001 0.000 0.193 498 E C 2.021 178.653 176.600 0.054 0.000 0.985 498 E CA 0.994 57.447 56.400 0.088 0.000 0.814 498 E CB -0.242 29.498 29.700 0.068 0.000 0.752 498 E HN 0.560 nan 8.360 nan 0.000 0.466 499 Q N 0.276 120.088 119.800 0.019 0.000 2.172 499 Q HA -0.062 4.279 4.340 0.001 0.000 0.200 499 Q C 2.179 178.192 176.000 0.021 0.000 0.964 499 Q CA 0.737 56.545 55.803 0.009 0.000 0.855 499 Q CB 0.067 28.791 28.738 -0.023 0.000 0.918 499 Q HN 0.285 nan 8.270 nan 0.000 0.444 500 L N -0.312 120.930 121.223 0.032 0.000 2.027 500 L HA -0.153 4.187 4.340 0.001 0.000 0.206 500 L C 2.403 179.314 176.870 0.068 0.000 1.074 500 L CA 0.676 55.548 54.840 0.053 0.000 0.745 500 L CB -0.348 41.757 42.059 0.077 0.000 0.898 500 L HN 0.330 nan 8.230 nan 0.000 0.433 501 M N -0.385 119.262 119.600 0.079 0.000 2.149 501 M HA -0.207 4.274 4.480 0.001 0.000 0.261 501 M C 1.851 178.185 176.300 0.057 0.000 1.064 501 M CA 1.644 56.987 55.300 0.072 0.000 1.102 501 M CB -1.031 31.614 32.600 0.075 0.000 1.369 501 M HN 0.241 nan 8.290 nan 0.000 0.408 502 D N -0.335 120.095 120.400 0.050 0.000 2.144 502 D HA -0.113 4.528 4.640 0.001 0.000 0.200 502 D C 2.146 178.469 176.300 0.039 0.000 0.978 502 D CA 0.990 55.015 54.000 0.042 0.000 0.833 502 D CB -0.260 40.564 40.800 0.039 0.000 0.961 502 D HN 0.383 nan 8.370 nan 0.000 0.470 503 R N 0.574 121.098 120.500 0.040 0.000 2.070 503 R HA -0.033 4.308 4.340 0.001 0.000 0.233 503 R C 2.495 178.820 176.300 0.042 0.000 1.137 503 R CA 1.250 57.373 56.100 0.039 0.000 0.945 503 R CB -0.366 29.958 30.300 0.040 0.000 0.845 503 R HN 0.003 nan 8.270 nan 0.000 0.430 504 S N -0.047 115.683 115.700 0.049 0.000 2.399 504 S HA -0.106 4.365 4.470 0.001 0.000 0.231 504 S C 1.804 176.429 174.600 0.040 0.000 1.022 504 S CA 1.608 59.837 58.200 0.049 0.000 0.983 504 S CB -0.128 63.109 63.200 0.061 0.000 0.803 504 S HN 0.390 nan 8.310 nan 0.000 0.480 505 T N 1.596 116.173 114.554 0.039 0.000 3.023 505 T HA -0.019 4.332 4.350 0.001 0.000 0.266 505 T C 2.133 176.850 174.700 0.029 0.000 1.093 505 T CA 1.083 63.203 62.100 0.033 0.000 1.129 505 T CB -0.211 68.679 68.868 0.036 0.000 0.899 505 T HN 0.611 nan 8.240 nan 0.000 0.491 506 S N 0.786 116.503 115.700 0.029 0.000 2.461 506 S HA 0.049 4.519 4.470 0.001 0.000 0.228 506 S C 0.868 175.482 174.600 0.022 0.000 1.005 506 S CA -0.166 58.049 58.200 0.025 0.000 0.942 506 S CB -0.496 62.720 63.200 0.026 0.000 0.776 506 S HN 0.221 nan 8.310 nan 0.000 0.514 507 V N 3.059 122.987 119.914 0.023 0.000 2.686 507 V HA 0.291 4.411 4.120 0.001 0.000 0.295 507 V C 1.653 177.757 176.094 0.017 0.000 1.057 507 V CA 0.084 62.395 62.300 0.019 0.000 1.012 507 V CB 1.271 33.106 31.823 0.021 0.000 1.006 507 V HN 0.542 nan 8.190 nan 0.000 0.477 508 S N 1.915 117.623 115.700 0.013 0.000 2.355 508 S HA -0.091 4.380 4.470 0.001 0.000 0.222 508 S C 0.693 175.299 174.600 0.010 0.000 1.031 508 S CA 0.696 58.903 58.200 0.010 0.000 0.993 508 S CB -0.148 63.056 63.200 0.008 0.000 0.859 508 S HN 0.838 nan 8.310 nan 0.000 0.453 509 E N 1.274 121.479 120.200 0.008 0.000 2.175 509 E HA 0.363 4.713 4.350 0.001 0.000 0.278 509 E C -0.394 176.213 176.600 0.012 0.000 0.969 509 E CA -0.861 55.544 56.400 0.007 0.000 0.796 509 E CB 0.983 30.684 29.700 0.002 0.000 1.104 509 E HN 0.247 nan 8.360 nan 0.000 0.395 510 R N 4.609 125.118 120.500 0.014 0.000 2.537 510 R HA 0.173 4.514 4.340 0.001 0.000 0.280 510 R C -2.057 174.255 176.300 0.020 0.000 1.058 510 R CA -1.373 54.740 56.100 0.021 0.000 1.057 510 R CB 0.378 30.692 30.300 0.023 0.000 0.973 510 R HN 0.406 nan 8.270 nan 0.000 0.438 511 P HA 0.022 nan 4.420 nan 0.000 0.267 511 P C -1.317 175.990 177.300 0.013 0.000 1.200 511 P CA 0.304 63.416 63.100 0.019 0.000 0.772 511 P CB 0.542 32.260 31.700 0.030 0.000 0.855 512 K N 0.421 120.815 120.400 -0.011 0.000 2.435 512 K HA 0.695 5.016 4.320 0.001 0.000 0.251 512 K C -1.364 175.178 176.600 -0.097 0.000 0.954 512 K CA -1.107 55.164 56.287 -0.027 0.000 0.820 512 K CB 2.179 34.681 32.500 0.004 0.000 1.292 512 K HN 0.025 nan 8.250 nan 0.000 0.436 513 V N 2.469 122.269 119.914 -0.190 0.000 2.525 513 V HA 0.305 4.426 4.120 0.001 0.000 0.299 513 V C -1.218 174.787 176.094 -0.147 0.000 1.034 513 V CA -0.824 61.258 62.300 -0.363 0.000 0.863 513 V CB 1.203 32.355 31.823 -1.118 0.000 0.999 513 V HN 0.686 nan 8.190 nan 0.000 0.423 514 F N 6.012 125.911 119.950 -0.086 0.000 2.438 514 F HA 0.533 5.060 4.527 0.001 0.000 0.356 514 F C -0.042 175.754 175.800 -0.007 0.000 1.099 514 F CA -0.439 57.576 58.000 0.026 0.000 1.185 514 F CB 0.710 39.867 39.000 0.261 0.000 1.115 514 F HN 0.332 nan 8.300 nan 0.000 0.526 515 L N 7.469 128.291 121.223 -0.669 0.000 2.268 515 L HA 0.403 4.743 4.340 0.001 0.000 0.289 515 L C 0.159 176.632 176.870 -0.661 0.000 1.064 515 L CA -0.805 53.749 54.840 -0.477 0.000 0.824 515 L CB 0.719 42.599 42.059 -0.300 0.000 1.202 515 L HN 0.789 nan 8.230 nan 0.000 0.433 516 A N 3.690 126.342 122.820 -0.280 0.000 2.666 516 A HA 0.344 4.664 4.320 0.001 0.000 0.312 516 A C 0.074 177.572 177.584 -0.142 0.000 1.471 516 A CA -0.400 51.569 52.037 -0.114 0.000 1.134 516 A CB -0.347 18.736 19.000 0.138 0.000 1.129 516 A HN 0.768 nan 8.150 nan 0.000 0.539 517 C N 3.524 122.617 119.300 -0.346 0.000 2.482 517 C HA 0.502 4.962 4.460 0.001 0.000 0.378 517 C C 0.492 175.289 174.990 -0.321 0.000 1.284 517 C CA -0.408 58.278 59.018 -0.554 0.000 1.826 517 C CB -1.190 25.708 27.740 -1.402 0.000 2.473 517 C HN 0.703 nan 8.230 nan 0.000 0.562 518 L N 3.973 125.171 121.223 -0.041 0.000 2.331 518 L HA 0.849 5.189 4.340 0.001 0.000 0.275 518 L C 0.827 177.828 176.870 0.218 0.000 1.022 518 L CA 0.165 55.055 54.840 0.082 0.000 0.812 518 L CB 0.891 42.984 42.059 0.057 0.000 1.257 518 L HN 0.982 nan 8.230 nan 0.000 0.435 519 G N 1.502 110.410 108.800 0.179 0.000 2.527 519 G HA2 -0.179 3.782 3.960 0.001 0.000 0.227 519 G HA3 -0.179 3.782 3.960 0.001 0.000 0.227 519 G C -0.225 174.786 174.900 0.185 0.000 1.291 519 G CA -0.226 44.953 45.100 0.131 0.000 0.904 519 G HN 0.916 nan 8.290 nan 0.000 0.577 520 T N -2.394 112.158 114.554 -0.002 0.000 2.936 520 T HA 0.658 5.008 4.350 0.001 0.000 0.282 520 T C 1.404 175.727 174.700 -0.627 0.000 1.003 520 T CA 0.593 62.599 62.100 -0.156 0.000 1.005 520 T CB 2.036 70.826 68.868 -0.130 0.000 1.097 520 T HN 1.006 nan 8.240 nan 0.000 0.532 521 R N 0.220 120.265 120.500 -0.758 0.000 2.103 521 R HA -0.105 4.235 4.340 0.001 0.000 0.242 521 R C 2.486 178.420 176.300 -0.610 0.000 1.142 521 R CA 1.542 57.047 56.100 -0.991 0.000 0.960 521 R CB -0.260 29.744 30.300 -0.494 0.000 0.858 521 R HN 0.677 nan 8.270 nan 0.000 0.439 522 R N 0.033 120.329 120.500 -0.340 0.000 2.159 522 R HA -0.125 4.216 4.340 0.001 0.000 0.237 522 R C 1.396 177.579 176.300 -0.195 0.000 1.131 522 R CA 1.570 57.541 56.100 -0.215 0.000 0.982 522 R CB -0.107 30.107 30.300 -0.144 0.000 0.868 522 R HN 0.458 nan 8.270 nan 0.000 0.453 523 D N 0.074 120.342 120.400 -0.219 0.000 2.202 523 D HA -0.096 4.545 4.640 0.001 0.000 0.214 523 D C 1.664 177.913 176.300 -0.085 0.000 0.967 523 D CA 1.029 54.943 54.000 -0.142 0.000 0.871 523 D CB -0.262 40.473 40.800 -0.108 0.000 1.020 523 D HN 0.292 nan 8.370 nan 0.000 0.474 524 F N 0.936 120.840 119.950 -0.077 0.000 2.664 524 F HA 0.426 4.954 4.527 0.001 0.000 0.296 524 F C 2.011 177.798 175.800 -0.022 0.000 1.125 524 F CA 0.140 58.102 58.000 -0.062 0.000 1.444 524 F CB -1.025 37.946 39.000 -0.047 0.000 1.114 524 F HN -0.114 nan 8.300 nan 0.000 0.576 525 G N 1.485 110.290 108.800 0.007 0.000 2.574 525 G HA2 -0.284 3.677 3.960 0.001 0.000 0.220 525 G HA3 -0.284 3.677 3.960 0.001 0.000 0.220 525 G C 1.909 176.882 174.900 0.121 0.000 1.173 525 G CA 1.242 46.385 45.100 0.072 0.000 0.772 525 G HN 0.627 nan 8.290 nan 0.000 0.585 526 G N 0.466 109.311 108.800 0.074 0.000 2.480 526 G HA2 -0.221 3.739 3.960 0.001 0.000 0.216 526 G HA3 -0.221 3.739 3.960 0.001 0.000 0.216 526 G C 2.000 176.979 174.900 0.132 0.000 1.200 526 G CA 1.269 46.419 45.100 0.083 0.000 0.782 526 G HN 0.403 nan 8.290 nan 0.000 0.554 527 R N 0.150 120.727 120.500 0.128 0.000 2.081 527 R HA 0.015 4.356 4.340 0.001 0.000 0.235 527 R C 2.524 178.951 176.300 0.212 0.000 1.131 527 R CA 1.228 57.428 56.100 0.167 0.000 0.960 527 R CB -0.400 29.986 30.300 0.144 0.000 0.856 527 R HN 0.405 nan 8.270 nan 0.000 0.436 528 E N -0.277 120.042 120.200 0.197 0.000 2.072 528 E HA -0.110 4.241 4.350 0.001 0.000 0.191 528 E C 1.905 178.594 176.600 0.150 0.000 0.985 528 E CA 1.528 58.024 56.400 0.160 0.000 0.801 528 E CB -0.287 29.520 29.700 0.178 0.000 0.750 528 E HN 0.410 nan 8.360 nan 0.000 0.452 529 G N 0.135 109.039 108.800 0.174 0.000 2.432 529 G HA2 -0.272 3.689 3.960 0.001 0.000 0.219 529 G HA3 -0.272 3.689 3.960 0.001 0.000 0.219 529 G C 1.460 176.456 174.900 0.160 0.000 1.135 529 G CA 0.736 45.941 45.100 0.175 0.000 0.767 529 G HN 0.344 nan 8.290 nan 0.000 0.550 530 F N 1.782 121.738 119.950 0.010 0.000 2.147 530 F HA 0.080 4.608 4.527 0.001 0.000 0.291 530 F C 2.847 178.566 175.800 -0.136 0.000 1.093 530 F CA 1.625 59.584 58.000 -0.069 0.000 1.263 530 F CB -0.119 38.854 39.000 -0.045 0.000 1.036 530 F HN 0.123 nan 8.300 nan 0.000 0.481 531 S N -0.644 115.054 115.700 -0.003 0.000 2.383 531 S HA -0.168 4.303 4.470 0.001 0.000 0.227 531 S C 2.189 176.661 174.600 -0.213 0.000 1.026 531 S CA 1.132 59.251 58.200 -0.136 0.000 0.981 531 S CB -0.604 62.682 63.200 0.144 0.000 0.818 531 S HN 0.429 nan 8.310 nan 0.000 0.472 532 S N 1.991 117.620 115.700 -0.117 0.000 2.359 532 S HA -0.069 4.401 4.470 0.001 0.000 0.222 532 S C -0.834 173.430 174.600 -0.560 0.000 1.038 532 S CA 1.498 59.560 58.200 -0.229 0.000 1.051 532 S CB -1.143 62.004 63.200 -0.087 0.000 0.944 532 S HN 0.312 nan 8.310 nan 0.000 0.433 533 P HA -0.048 nan 4.420 nan 0.000 0.216 533 P C 1.544 178.573 177.300 -0.452 0.000 1.150 533 P CA 0.842 63.730 63.100 -0.353 0.000 0.843 533 P CB -0.162 31.266 31.700 -0.454 0.000 0.787 534 V N -1.675 117.869 119.914 -0.617 0.000 2.295 534 V HA -0.207 3.913 4.120 0.001 0.000 0.246 534 V C 2.139 177.898 176.094 -0.559 0.000 1.049 534 V CA 1.807 63.698 62.300 -0.682 0.000 1.024 534 V CB -1.595 29.674 31.823 -0.925 0.000 0.648 534 V HN 0.129 nan 8.190 nan 0.000 0.447 535 W N -0.195 120.923 121.300 -0.303 0.000 2.363 535 W HA -0.136 4.525 4.660 0.001 0.000 0.296 535 W C 2.474 178.943 176.519 -0.084 0.000 1.212 535 W CA 1.342 58.567 57.345 -0.201 0.000 1.260 535 W CB -0.688 28.656 29.460 -0.194 0.000 1.131 535 W HN 0.375 nan 8.180 nan 0.000 0.530 536 H N -0.123 118.996 119.070 0.082 0.000 2.518 536 H HA -0.102 4.454 4.556 0.001 0.000 0.289 536 H C 2.011 177.333 175.328 -0.010 0.000 1.051 536 H CA 1.018 57.087 56.048 0.035 0.000 1.280 536 H CB -0.232 29.536 29.762 0.010 0.000 1.380 536 H HN 0.190 nan 8.280 nan 0.000 0.566 537 I N 0.737 121.327 120.570 0.032 0.000 2.208 537 I HA -0.250 3.921 4.170 0.001 0.000 0.245 537 I C 2.310 178.466 176.117 0.065 0.000 1.097 537 I CA 1.154 62.436 61.300 -0.030 0.000 1.363 537 I CB -0.158 37.770 38.000 -0.121 0.000 1.051 537 I HN 0.289 nan 8.210 nan 0.000 0.413 538 A N 0.261 123.139 122.820 0.097 0.000 2.337 538 A HA 0.406 4.726 4.320 0.001 0.000 0.227 538 A C 1.603 179.256 177.584 0.115 0.000 1.259 538 A CA 0.521 52.627 52.037 0.116 0.000 0.870 538 A CB -0.582 18.492 19.000 0.124 0.000 0.927 538 A HN 0.581 nan 8.150 nan 0.000 0.497 539 G N -0.294 108.577 108.800 0.118 0.000 2.198 539 G HA2 -0.237 3.723 3.960 0.001 0.000 0.260 539 G HA3 -0.237 3.723 3.960 0.001 0.000 0.260 539 G C 0.015 174.988 174.900 0.120 0.000 1.025 539 G CA 0.425 45.586 45.100 0.102 0.000 0.769 539 G HN 0.508 nan 8.290 nan 0.000 0.507 540 I N 0.909 121.587 120.570 0.180 0.000 2.342 540 I HA 0.235 4.406 4.170 0.001 0.000 0.291 540 I C 0.252 176.494 176.117 0.210 0.000 1.010 540 I CA -0.781 60.618 61.300 0.164 0.000 1.308 540 I CB 0.789 38.902 38.000 0.187 0.000 1.400 540 I HN -0.028 nan 8.210 nan 0.000 0.488 541 D N 3.953 124.426 120.400 0.121 0.000 2.357 541 D HA 0.168 4.808 4.640 0.001 0.000 0.242 541 D C 0.256 176.628 176.300 0.121 0.000 1.153 541 D CA 0.314 54.389 54.000 0.124 0.000 0.918 541 D CB 1.285 42.121 40.800 0.060 0.000 1.181 541 D HN 0.552 nan 8.370 nan 0.000 0.435 542 T N -1.350 113.302 114.554 0.162 0.000 3.317 542 T HA 0.389 4.740 4.350 0.001 0.000 0.361 542 T C -2.671 172.046 174.700 0.028 0.000 1.499 542 T CA -1.700 60.442 62.100 0.070 0.000 1.529 542 T CB 1.055 69.982 68.868 0.098 0.000 0.997 542 T HN 0.038 nan 8.240 nan 0.000 0.624 543 P HA 0.220 nan 4.420 nan 0.000 0.271 543 P C -0.365 176.847 177.300 -0.147 0.000 1.216 543 P CA 0.001 63.130 63.100 0.048 0.000 0.771 543 P CB 0.828 32.639 31.700 0.185 0.000 0.864 544 Q N 0.807 120.490 119.800 -0.195 0.000 2.892 544 Q HA 0.824 5.165 4.340 0.001 0.000 0.307 544 Q C -1.547 174.279 176.000 -0.290 0.000 1.039 544 Q CA -1.286 54.230 55.803 -0.478 0.000 0.792 544 Q CB 1.872 30.420 28.738 -0.317 0.000 1.504 544 Q HN 0.228 nan 8.270 nan 0.000 0.487 545 V N 0.041 119.760 119.914 -0.325 0.000 2.777 545 V HA 0.235 4.355 4.120 0.001 0.000 0.306 545 V C -1.572 174.405 176.094 -0.195 0.000 1.112 545 V CA -0.405 61.846 62.300 -0.082 0.000 0.917 545 V CB 2.103 34.023 31.823 0.161 0.000 1.018 545 V HN 0.824 nan 8.190 nan 0.000 0.426 546 E N 5.245 125.394 120.200 -0.084 0.000 1.932 546 E HA 0.507 4.858 4.350 0.001 0.000 0.259 546 E C 0.689 177.353 176.600 0.106 0.000 1.099 546 E CA 0.600 56.968 56.400 -0.052 0.000 0.970 546 E CB 0.819 30.647 29.700 0.214 0.000 1.143 546 E HN 1.223 nan 8.360 nan 0.000 0.441 547 G N 2.194 111.006 108.800 0.020 0.000 2.641 547 G HA2 -0.057 3.904 3.960 0.001 0.000 0.254 547 G HA3 -0.057 3.904 3.960 0.001 0.000 0.254 547 G C 0.384 175.345 174.900 0.101 0.000 1.315 547 G CA -0.469 44.717 45.100 0.143 0.000 0.907 547 G HN 1.052 nan 8.290 nan 0.000 0.572 548 G N -3.285 105.575 108.800 0.101 0.000 2.422 548 G HA2 0.532 4.492 3.960 0.001 0.000 0.607 548 G HA3 0.532 4.492 3.960 0.001 0.000 0.607 548 G C 0.369 175.311 174.900 0.070 0.000 1.270 548 G CA 0.733 45.881 45.100 0.080 0.000 0.992 548 G HN 2.885 nan 8.290 nan 0.000 0.499 549 T N -2.569 112.022 114.554 0.061 0.000 2.788 549 T HA 0.550 4.901 4.350 0.001 0.000 0.280 549 T C 1.680 176.416 174.700 0.061 0.000 0.984 549 T CA 1.077 63.209 62.100 0.054 0.000 0.972 549 T CB 1.001 69.896 68.868 0.045 0.000 1.039 549 T HN 0.980 nan 8.240 nan 0.000 0.530 550 T N 1.050 115.637 114.554 0.055 0.000 2.746 550 T HA -0.040 4.311 4.350 0.001 0.000 0.267 550 T C 2.388 177.122 174.700 0.055 0.000 1.039 550 T CA 1.429 63.563 62.100 0.057 0.000 1.142 550 T CB -0.905 67.993 68.868 0.049 0.000 0.866 550 T HN 0.778 nan 8.240 nan 0.000 0.444 551 A N 1.659 124.508 122.820 0.048 0.000 1.883 551 A HA -0.168 4.152 4.320 0.001 0.000 0.217 551 A C 2.195 179.811 177.584 0.053 0.000 1.186 551 A CA 1.787 53.851 52.037 0.045 0.000 0.624 551 A CB -0.593 18.428 19.000 0.036 0.000 0.822 551 A HN 0.587 nan 8.150 nan 0.000 0.444 552 E N -0.400 119.835 120.200 0.060 0.000 2.077 552 E HA -0.153 4.198 4.350 0.001 0.000 0.193 552 E C 1.886 178.546 176.600 0.100 0.000 0.989 552 E CA 1.273 57.716 56.400 0.071 0.000 0.800 552 E CB -0.309 29.433 29.700 0.070 0.000 0.746 552 E HN 0.719 nan 8.360 nan 0.000 0.452 553 I N 0.536 121.175 120.570 0.115 0.000 2.202 553 I HA -0.244 3.926 4.170 0.001 0.000 0.242 553 I C 2.338 178.545 176.117 0.149 0.000 1.091 553 I CA 0.757 62.160 61.300 0.172 0.000 1.368 553 I CB -0.207 37.883 38.000 0.150 0.000 1.058 553 I HN -0.020 nan 8.210 nan 0.000 0.410 554 V N 0.536 120.506 119.914 0.093 0.000 2.343 554 V HA -0.292 3.828 4.120 0.001 0.000 0.247 554 V C 2.682 178.818 176.094 0.069 0.000 1.051 554 V CA 2.228 64.579 62.300 0.086 0.000 1.036 554 V CB -0.638 31.222 31.823 0.063 0.000 0.654 554 V HN 0.498 nan 8.190 nan 0.000 0.451 555 E N -0.105 120.122 120.200 0.044 0.000 2.047 555 E HA -0.205 4.145 4.350 0.001 0.000 0.191 555 E C 2.335 178.926 176.600 -0.015 0.000 0.987 555 E CA 1.415 57.823 56.400 0.013 0.000 0.799 555 E CB -0.549 29.165 29.700 0.024 0.000 0.752 555 E HN 0.722 nan 8.360 nan 0.000 0.449 556 A N 0.079 122.918 122.820 0.031 0.000 1.883 556 A HA -0.074 4.247 4.320 0.001 0.000 0.217 556 A C 2.133 179.581 177.584 -0.227 0.000 1.186 556 A CA 1.827 53.898 52.037 0.057 0.000 0.624 556 A CB -1.066 18.100 19.000 0.276 0.000 0.822 556 A HN 0.631 nan 8.150 nan 0.000 0.444 557 F N 0.808 120.281 119.950 -0.794 0.000 2.120 557 F HA -0.208 4.319 4.527 0.001 0.000 0.300 557 F C 2.052 177.490 175.800 -0.603 0.000 1.095 557 F CA 2.336 59.520 58.000 -1.360 0.000 1.249 557 F CB -0.280 38.133 39.000 -0.978 0.000 0.995 557 F HN 0.154 nan 8.300 nan 0.000 0.480 558 K N -0.094 119.982 120.400 -0.539 0.000 2.148 558 K HA -0.138 4.183 4.320 0.001 0.000 0.204 558 K C 2.387 178.793 176.600 -0.325 0.000 1.050 558 K CA 1.267 57.286 56.287 -0.446 0.000 0.942 558 K CB -0.182 32.203 32.500 -0.192 0.000 0.724 558 K HN 0.041 nan 8.250 nan 0.000 0.446 559 K N 0.588 120.852 120.400 -0.227 0.000 2.155 559 K HA -0.082 4.239 4.320 0.001 0.000 0.203 559 K C 2.193 178.715 176.600 -0.131 0.000 1.052 559 K CA 1.574 57.781 56.287 -0.132 0.000 0.948 559 K CB -0.328 32.135 32.500 -0.062 0.000 0.728 559 K HN 0.468 nan 8.250 nan 0.000 0.448 560 S N -1.143 114.451 115.700 -0.176 0.000 2.383 560 S HA 0.044 4.514 4.470 0.001 0.000 0.227 560 S C 1.806 176.318 174.600 -0.146 0.000 1.026 560 S CA 1.495 59.638 58.200 -0.095 0.000 0.981 560 S CB -0.492 62.717 63.200 0.015 0.000 0.818 560 S HN 1.098 nan 8.310 nan 0.000 0.472 561 G N 0.845 109.483 108.800 -0.270 0.000 2.143 561 G HA2 -0.038 3.922 3.960 0.001 0.000 0.249 561 G HA3 -0.038 3.922 3.960 0.001 0.000 0.249 561 G C 0.160 174.931 174.900 -0.215 0.000 0.981 561 G CA 0.133 45.096 45.100 -0.229 0.000 0.665 561 G HN 1.327 nan 8.290 nan 0.000 0.528 562 A N -0.531 122.127 122.820 -0.269 0.000 2.340 562 A HA 0.735 5.056 4.320 0.001 0.000 0.268 562 A C 1.042 178.536 177.584 -0.150 0.000 1.100 562 A CA 0.513 52.474 52.037 -0.126 0.000 0.803 562 A CB 0.530 19.557 19.000 0.045 0.000 1.043 562 A HN 0.415 nan 8.150 nan 0.000 0.488 563 Q N 0.354 120.166 119.800 0.020 0.000 2.352 563 Q HA 0.195 4.535 4.340 0.001 0.000 0.212 563 Q C -0.522 175.612 176.000 0.224 0.000 0.888 563 Q CA 0.396 56.260 55.803 0.101 0.000 0.934 563 Q CB 0.714 29.484 28.738 0.054 0.000 1.093 563 Q HN 0.525 nan 8.270 nan 0.000 0.523 564 V N 0.493 120.537 119.914 0.218 0.000 2.680 564 V HA 0.738 4.859 4.120 0.001 0.000 0.309 564 V C -0.767 175.464 176.094 0.228 0.000 1.052 564 V CA -0.794 61.621 62.300 0.192 0.000 0.908 564 V CB 1.759 33.645 31.823 0.105 0.000 1.001 564 V HN 0.140 nan 8.190 nan 0.000 0.431 565 A N 2.401 125.325 122.820 0.173 0.000 2.413 565 A HA 0.835 5.155 4.320 0.001 0.000 0.307 565 A C -1.465 176.225 177.584 0.177 0.000 1.087 565 A CA -0.493 51.642 52.037 0.163 0.000 0.750 565 A CB 1.824 20.830 19.000 0.009 0.000 1.296 565 A HN 0.756 nan 8.150 nan 0.000 0.423 566 D N 1.601 122.092 120.400 0.152 0.000 2.549 566 D HA 0.435 5.075 4.640 0.001 0.000 0.251 566 D C -0.930 175.485 176.300 0.192 0.000 1.153 566 D CA -0.195 53.954 54.000 0.249 0.000 0.861 566 D CB 0.771 41.758 40.800 0.312 0.000 1.207 566 D HN 0.424 nan 8.370 nan 0.000 0.543 567 L N 3.184 124.537 121.223 0.217 0.000 2.410 567 L HA 0.338 4.678 4.340 0.001 0.000 0.273 567 L C -0.274 176.787 176.870 0.319 0.000 1.144 567 L CA -0.396 54.588 54.840 0.240 0.000 0.863 567 L CB 0.663 42.880 42.059 0.263 0.000 1.140 567 L HN 0.430 nan 8.230 nan 0.000 0.463 568 C N 2.774 122.224 119.300 0.249 0.000 2.431 568 C HA 0.795 5.256 4.460 0.001 0.000 0.321 568 C C 0.197 175.239 174.990 0.088 0.000 1.202 568 C CA -0.530 58.623 59.018 0.225 0.000 1.398 568 C CB 1.103 28.920 27.740 0.128 0.000 2.047 568 C HN 0.909 nan 8.230 nan 0.000 0.465 569 S N 0.984 116.621 115.700 -0.105 0.000 2.660 569 S HA 0.631 5.102 4.470 0.001 0.000 0.264 569 S C -0.546 173.713 174.600 -0.569 0.000 1.131 569 S CA -0.107 57.886 58.200 -0.345 0.000 0.846 569 S CB 0.943 63.861 63.200 -0.470 0.000 1.151 569 S HN 1.170 nan 8.310 nan 0.000 0.486 570 S N 1.247 116.688 115.700 -0.431 0.000 2.645 570 S HA 0.713 5.183 4.470 0.001 0.000 0.266 570 S C 1.547 175.900 174.600 -0.413 0.000 1.258 570 S CA 0.011 58.024 58.200 -0.312 0.000 0.990 570 S CB 0.821 63.916 63.200 -0.175 0.000 0.967 570 S HN 1.426 nan 8.310 nan 0.000 0.556 571 A N 1.350 124.073 122.820 -0.163 0.000 1.883 571 A HA -0.152 4.169 4.320 0.001 0.000 0.217 571 A C 2.153 179.686 177.584 -0.085 0.000 1.186 571 A CA 1.961 53.973 52.037 -0.041 0.000 0.624 571 A CB -1.124 17.885 19.000 0.015 0.000 0.822 571 A HN 0.943 nan 8.150 nan 0.000 0.444 572 K N -0.405 119.939 120.400 -0.094 0.000 2.074 572 K HA -0.142 4.178 4.320 0.001 0.000 0.209 572 K C 1.787 178.326 176.600 -0.101 0.000 1.048 572 K CA 1.926 58.166 56.287 -0.078 0.000 0.926 572 K CB -0.274 32.184 32.500 -0.069 0.000 0.713 572 K HN 0.277 nan 8.250 nan 0.000 0.444 573 V N 0.506 120.323 119.914 -0.163 0.000 2.591 573 V HA -0.176 3.944 4.120 0.001 0.000 0.249 573 V C 1.855 177.853 176.094 -0.160 0.000 1.053 573 V CA 1.245 63.454 62.300 -0.152 0.000 1.068 573 V CB -0.531 31.198 31.823 -0.156 0.000 0.689 573 V HN 0.330 nan 8.190 nan 0.000 0.462 574 Y N 0.519 120.665 120.300 -0.257 0.000 2.097 574 Y HA -0.283 4.267 4.550 0.001 0.000 0.282 574 Y C 2.629 178.202 175.900 -0.546 0.000 1.152 574 Y CA 1.116 58.867 58.100 -0.581 0.000 1.136 574 Y CB -0.408 37.497 38.460 -0.926 0.000 0.975 574 Y HN 0.255 nan 8.280 nan 0.000 0.498 575 A N 0.131 122.855 122.820 -0.161 0.000 1.940 575 A HA -0.274 4.047 4.320 0.001 0.000 0.219 575 A C 2.004 179.586 177.584 -0.004 0.000 1.176 575 A CA 2.005 54.016 52.037 -0.043 0.000 0.631 575 A CB -0.664 18.334 19.000 -0.002 0.000 0.814 575 A HN 0.566 nan 8.150 nan 0.000 0.446 576 Q N -1.057 118.733 119.800 -0.016 0.000 2.062 576 Q HA -0.135 4.205 4.340 0.001 0.000 0.196 576 Q C 1.822 177.838 176.000 0.026 0.000 0.967 576 Q CA 1.534 57.341 55.803 0.006 0.000 0.832 576 Q CB -0.056 28.679 28.738 -0.004 0.000 0.899 576 Q HN 0.986 nan 8.270 nan 0.000 0.442 577 Q N -1.685 118.130 119.800 0.026 0.000 2.113 577 Q HA 0.262 4.603 4.340 0.001 0.000 0.225 577 Q C 1.499 177.561 176.000 0.103 0.000 0.786 577 Q CA 0.318 56.157 55.803 0.060 0.000 0.989 577 Q CB 0.327 29.095 28.738 0.051 0.000 1.174 577 Q HN 0.181 nan 8.270 nan 0.000 0.470 578 G N 2.193 111.056 108.800 0.105 0.000 2.491 578 G HA2 -0.299 3.662 3.960 0.001 0.000 0.218 578 G HA3 -0.299 3.662 3.960 0.001 0.000 0.218 578 G C 1.294 176.418 174.900 0.374 0.000 1.180 578 G CA 1.195 46.434 45.100 0.231 0.000 0.774 578 G HN 0.293 nan 8.290 nan 0.000 0.562 579 L N 0.715 122.181 121.223 0.406 0.000 2.042 579 L HA -0.025 4.316 4.340 0.001 0.000 0.210 579 L C 2.648 179.602 176.870 0.140 0.000 1.076 579 L CA 2.728 57.723 54.840 0.258 0.000 0.749 579 L CB -0.640 41.539 42.059 0.199 0.000 0.893 579 L HN 0.483 nan 8.230 nan 0.000 0.432 580 E N -0.877 119.394 120.200 0.119 0.000 2.038 580 E HA -0.207 4.143 4.350 0.001 0.000 0.195 580 E C 2.036 178.679 176.600 0.071 0.000 1.000 580 E CA 2.012 58.458 56.400 0.078 0.000 0.803 580 E CB -0.093 29.648 29.700 0.070 0.000 0.750 580 E HN 0.401 nan 8.360 nan 0.000 0.448 581 V N 1.300 121.269 119.914 0.091 0.000 2.343 581 V HA -0.251 3.870 4.120 0.001 0.000 0.247 581 V C 2.504 178.630 176.094 0.053 0.000 1.051 581 V CA 1.789 64.134 62.300 0.076 0.000 1.036 581 V CB -0.807 31.077 31.823 0.102 0.000 0.654 581 V HN 0.450 nan 8.190 nan 0.000 0.451 582 A N -0.332 122.537 122.820 0.081 0.000 1.902 582 A HA -0.228 4.093 4.320 0.001 0.000 0.217 582 A C 2.313 179.895 177.584 -0.003 0.000 1.181 582 A CA 1.936 53.996 52.037 0.038 0.000 0.623 582 A CB -0.404 18.634 19.000 0.063 0.000 0.818 582 A HN 0.535 nan 8.150 nan 0.000 0.443 583 K N -0.417 119.990 120.400 0.011 0.000 2.026 583 K HA -0.053 4.268 4.320 0.001 0.000 0.208 583 K C 2.352 178.948 176.600 -0.006 0.000 1.048 583 K CA 1.160 57.447 56.287 -0.001 0.000 0.929 583 K CB -0.334 32.174 32.500 0.012 0.000 0.713 583 K HN 0.424 nan 8.250 nan 0.000 0.439 584 A N 1.353 124.174 122.820 0.002 0.000 1.933 584 A HA -0.128 4.193 4.320 0.001 0.000 0.218 584 A C 2.112 179.676 177.584 -0.033 0.000 1.175 584 A CA 1.258 53.294 52.037 -0.001 0.000 0.628 584 A CB -0.608 18.401 19.000 0.015 0.000 0.814 584 A HN 0.162 nan 8.150 nan 0.000 0.444 585 L N -1.025 120.142 121.223 -0.094 0.000 2.093 585 L HA -0.143 4.197 4.340 0.001 0.000 0.208 585 L C 2.536 179.300 176.870 -0.176 0.000 1.085 585 L CA 1.099 55.790 54.840 -0.248 0.000 0.755 585 L CB -0.371 41.452 42.059 -0.394 0.000 0.904 585 L HN 0.190 nan 8.230 nan 0.000 0.435 586 K N 0.296 120.640 120.400 -0.093 0.000 2.097 586 K HA -0.058 4.262 4.320 0.001 0.000 0.205 586 K C 2.115 178.711 176.600 -0.007 0.000 1.050 586 K CA 1.413 57.673 56.287 -0.045 0.000 0.938 586 K CB -0.357 32.119 32.500 -0.039 0.000 0.718 586 K HN 0.257 nan 8.250 nan 0.000 0.442 587 A N 0.711 123.529 122.820 -0.002 0.000 2.014 587 A HA 0.009 4.329 4.320 0.001 0.000 0.218 587 A C 2.111 179.717 177.584 0.037 0.000 1.163 587 A CA 1.618 53.663 52.037 0.014 0.000 0.652 587 A CB -0.292 18.715 19.000 0.011 0.000 0.808 587 A HN 0.248 nan 8.150 nan 0.000 0.449 588 A N -2.057 120.802 122.820 0.064 0.000 2.238 588 A HA 0.425 4.745 4.320 0.001 0.000 0.208 588 A C 1.666 179.357 177.584 0.178 0.000 1.177 588 A CA 1.320 53.433 52.037 0.126 0.000 0.804 588 A CB -0.569 18.552 19.000 0.203 0.000 0.823 588 A HN 1.685 nan 8.150 nan 0.000 0.482 589 G N -2.108 106.786 108.800 0.156 0.000 2.296 589 G HA2 0.175 4.135 3.960 0.001 0.000 0.188 589 G HA3 0.175 4.135 3.960 0.001 0.000 0.188 589 G C 0.494 175.508 174.900 0.189 0.000 1.000 589 G CA -0.063 45.124 45.100 0.145 0.000 0.672 589 G HN 1.540 nan 8.290 nan 0.000 0.483 590 A N 0.800 123.770 122.820 0.251 0.000 2.573 590 A HA 0.437 4.758 4.320 0.001 0.000 0.250 590 A C 1.318 178.957 177.584 0.091 0.000 1.049 590 A CA 1.765 53.918 52.037 0.193 0.000 0.767 590 A CB 0.173 19.114 19.000 -0.098 0.000 0.965 590 A HN 0.538 nan 8.150 nan 0.000 0.514 591 K N 1.668 122.132 120.400 0.106 0.000 2.076 591 K HA 0.192 4.513 4.320 0.001 0.000 0.204 591 K C 0.620 177.241 176.600 0.035 0.000 1.051 591 K CA 1.411 57.735 56.287 0.063 0.000 0.949 591 K CB 0.006 32.549 32.500 0.072 0.000 0.726 591 K HN 0.906 nan 8.250 nan 0.000 0.443 592 A N 0.577 123.423 122.820 0.043 0.000 2.515 592 A HA 0.579 4.900 4.320 0.001 0.000 0.298 592 A C -1.566 175.999 177.584 -0.030 0.000 1.059 592 A CA -0.751 51.272 52.037 -0.023 0.000 0.698 592 A CB 1.284 20.283 19.000 -0.002 0.000 1.289 592 A HN 0.148 nan 8.150 nan 0.000 0.404 593 L N 1.958 123.098 121.223 -0.138 0.000 2.356 593 L HA 0.514 4.855 4.340 0.001 0.000 0.277 593 L C -1.454 175.314 176.870 -0.170 0.000 0.996 593 L CA -0.493 54.302 54.840 -0.074 0.000 0.822 593 L CB 1.613 43.636 42.059 -0.060 0.000 1.256 593 L HN 0.810 nan 8.230 nan 0.000 0.413 594 Y N 3.143 123.513 120.300 0.117 0.000 2.457 594 Y HA 0.533 5.083 4.550 0.001 0.000 0.333 594 Y C -0.243 175.742 175.900 0.142 0.000 1.119 594 Y CA -0.659 57.547 58.100 0.177 0.000 1.143 594 Y CB 2.051 40.707 38.460 0.327 0.000 1.230 594 Y HN 0.333 nan 8.280 nan 0.000 0.469 595 L N 1.540 122.908 121.223 0.242 0.000 2.349 595 L HA 0.545 4.886 4.340 0.001 0.000 0.278 595 L C -0.735 176.223 176.870 0.147 0.000 0.996 595 L CA -0.273 54.631 54.840 0.108 0.000 0.825 595 L CB 1.600 43.603 42.059 -0.093 0.000 1.243 595 L HN 0.494 nan 8.230 nan 0.000 0.412 596 S N 4.281 120.112 115.700 0.218 0.000 2.642 596 S HA 0.819 5.289 4.470 0.001 0.000 0.309 596 S C 0.290 175.029 174.600 0.232 0.000 1.125 596 S CA 0.202 58.548 58.200 0.243 0.000 1.055 596 S CB -0.116 63.256 63.200 0.287 0.000 1.157 596 S HN 1.183 nan 8.310 nan 0.000 0.513 597 G N 1.628 110.499 108.800 0.119 0.000 2.339 597 G HA2 0.477 4.437 3.960 0.001 0.000 0.275 597 G HA3 0.477 4.437 3.960 0.001 0.000 0.275 597 G C -1.560 173.297 174.900 -0.071 0.000 1.323 597 G CA -0.263 44.896 45.100 0.098 0.000 0.927 597 G HN 0.824 nan 8.290 nan 0.000 0.486 598 A N -1.197 121.585 122.820 -0.064 0.000 2.354 598 A HA 0.824 5.144 4.320 0.001 0.000 0.321 598 A C 0.507 178.034 177.584 -0.095 0.000 1.125 598 A CA -0.472 51.453 52.037 -0.186 0.000 0.799 598 A CB 0.828 19.761 19.000 -0.112 0.000 1.293 598 A HN 0.971 nan 8.150 nan 0.000 0.452 599 F N 0.482 120.442 119.950 0.016 0.000 2.269 599 F HA -0.151 4.377 4.527 0.001 0.000 0.301 599 F C 2.426 178.293 175.800 0.113 0.000 1.082 599 F CA 1.680 59.684 58.000 0.007 0.000 1.360 599 F CB 0.053 38.981 39.000 -0.120 0.000 1.041 599 F HN 0.747 nan 8.300 nan 0.000 0.512 600 K N 0.882 121.427 120.400 0.242 0.000 2.442 600 K HA -0.122 4.199 4.320 0.001 0.000 0.198 600 K C 1.231 177.946 176.600 0.191 0.000 1.042 600 K CA 1.352 57.746 56.287 0.179 0.000 0.958 600 K CB -0.455 32.105 32.500 0.100 0.000 0.766 600 K HN 0.312 nan 8.250 nan 0.000 0.474 601 E N 0.365 120.700 120.200 0.226 0.000 2.204 601 E HA -0.112 4.238 4.350 0.001 0.000 0.194 601 E C 1.127 177.811 176.600 0.140 0.000 0.989 601 E CA 0.868 57.378 56.400 0.183 0.000 0.824 601 E CB -0.168 29.673 29.700 0.235 0.000 0.756 601 E HN 0.364 nan 8.360 nan 0.000 0.477 602 F N 0.403 120.425 119.950 0.120 0.000 2.748 602 F HA 0.040 4.567 4.527 0.001 0.000 0.299 602 F C 1.882 177.727 175.800 0.075 0.000 1.154 602 F CA 0.771 58.834 58.000 0.106 0.000 1.446 602 F CB -0.208 38.839 39.000 0.078 0.000 1.112 602 F HN 0.080 nan 8.300 nan 0.000 0.584 603 G N 0.634 109.560 108.800 0.210 0.000 2.620 603 G HA2 -0.393 3.568 3.960 0.001 0.000 0.315 603 G HA3 -0.393 3.568 3.960 0.001 0.000 0.315 603 G C 0.946 175.919 174.900 0.122 0.000 1.179 603 G CA 0.581 45.759 45.100 0.129 0.000 0.971 603 G HN 0.265 nan 8.290 nan 0.000 0.544 604 D N 1.629 122.087 120.400 0.098 0.000 2.363 604 D HA 0.081 4.722 4.640 0.001 0.000 0.220 604 D C 1.228 177.572 176.300 0.073 0.000 0.994 604 D CA 1.020 55.063 54.000 0.071 0.000 0.890 604 D CB -0.050 40.780 40.800 0.051 0.000 0.906 604 D HN 0.430 nan 8.370 nan 0.000 0.530 605 D N 0.335 120.810 120.400 0.125 0.000 2.349 605 D HA 0.114 4.755 4.640 0.001 0.000 0.214 605 D C 1.945 178.261 176.300 0.026 0.000 1.063 605 D CA 0.005 54.071 54.000 0.110 0.000 0.847 605 D CB 0.318 41.242 40.800 0.207 0.000 0.933 605 D HN 0.006 nan 8.370 nan 0.000 0.513 606 A N 1.864 124.714 122.820 0.050 0.000 1.870 606 A HA -0.258 4.062 4.320 0.001 0.000 0.219 606 A C 2.379 179.839 177.584 -0.207 0.000 1.224 606 A CA 2.765 54.771 52.037 -0.052 0.000 0.650 606 A CB -1.017 18.009 19.000 0.043 0.000 0.836 606 A HN 0.264 nan 8.150 nan 0.000 0.454 607 A N -1.131 121.598 122.820 -0.152 0.000 1.903 607 A HA -0.246 4.075 4.320 0.001 0.000 0.219 607 A C 2.005 179.464 177.584 -0.209 0.000 1.191 607 A CA 2.017 53.943 52.037 -0.185 0.000 0.638 607 A CB -0.629 18.304 19.000 -0.113 0.000 0.823 607 A HN 0.594 nan 8.150 nan 0.000 0.451 608 E N -0.469 119.637 120.200 -0.156 0.000 2.077 608 E HA -0.142 4.208 4.350 0.001 0.000 0.193 608 E C 2.430 178.906 176.600 -0.207 0.000 0.989 608 E CA 1.167 57.482 56.400 -0.141 0.000 0.800 608 E CB -0.466 29.189 29.700 -0.075 0.000 0.746 608 E HN 0.589 nan 8.360 nan 0.000 0.452 609 A N 1.480 124.117 122.820 -0.305 0.000 1.877 609 A HA -0.254 4.066 4.320 0.001 0.000 0.216 609 A C 2.119 179.432 177.584 -0.451 0.000 1.186 609 A CA 1.982 53.735 52.037 -0.473 0.000 0.620 609 A CB -0.593 17.764 19.000 -1.072 0.000 0.822 609 A HN 0.316 nan 8.150 nan 0.000 0.443 610 E N 0.024 119.839 120.200 -0.642 0.000 2.160 610 E HA -0.185 4.166 4.350 0.001 0.000 0.195 610 E C 1.973 178.309 176.600 -0.440 0.000 0.991 610 E CA 1.760 57.625 56.400 -0.892 0.000 0.810 610 E CB -0.117 28.829 29.700 -1.256 0.000 0.742 610 E HN 0.354 nan 8.360 nan 0.000 0.466 611 K N -0.196 120.026 120.400 -0.296 0.000 2.147 611 K HA -0.034 4.286 4.320 0.001 0.000 0.205 611 K C 1.998 178.514 176.600 -0.141 0.000 1.049 611 K CA 1.382 57.556 56.287 -0.188 0.000 0.936 611 K CB -0.397 32.016 32.500 -0.146 0.000 0.722 611 K HN 0.367 nan 8.250 nan 0.000 0.446 612 L N -0.681 120.460 121.223 -0.137 0.000 2.554 612 L HA 0.349 4.690 4.340 0.001 0.000 0.225 612 L C 0.618 177.437 176.870 -0.085 0.000 1.104 612 L CA 0.135 54.917 54.840 -0.097 0.000 0.866 612 L CB 0.093 42.102 42.059 -0.084 0.000 1.047 612 L HN 0.091 nan 8.230 nan 0.000 0.468 613 I N 0.032 120.556 120.570 -0.077 0.000 2.336 613 I HA 0.079 4.250 4.170 0.001 0.000 0.292 613 I C 0.256 176.351 176.117 -0.037 0.000 0.991 613 I CA -0.057 61.227 61.300 -0.027 0.000 1.227 613 I CB 1.722 39.792 38.000 0.117 0.000 1.366 613 I HN -0.041 nan 8.210 nan 0.000 0.466 614 D N 3.739 124.049 120.400 -0.150 0.000 2.323 614 D HA 0.212 4.852 4.640 0.001 0.000 0.209 614 D C 0.672 176.875 176.300 -0.161 0.000 0.973 614 D CA 0.466 54.355 54.000 -0.185 0.000 0.874 614 D CB 0.458 41.060 40.800 -0.331 0.000 0.930 614 D HN 0.677 nan 8.370 nan 0.000 0.521 615 G N -0.834 107.877 108.800 -0.149 0.000 2.466 615 G HA2 0.548 4.509 3.960 0.001 0.000 0.291 615 G HA3 0.548 4.509 3.960 0.001 0.000 0.291 615 G C -1.524 173.511 174.900 0.225 0.000 1.460 615 G CA -1.058 44.102 45.100 0.099 0.000 0.791 615 G HN -0.082 nan 8.290 nan 0.000 0.505 616 R N -0.863 119.810 120.500 0.288 0.000 2.807 616 R HA 0.713 5.053 4.340 0.001 0.000 0.276 616 R C -0.778 175.729 176.300 0.346 0.000 0.979 616 R CA -0.852 55.403 56.100 0.259 0.000 0.928 616 R CB 2.355 32.700 30.300 0.076 0.000 1.191 616 R HN 0.363 nan 8.270 nan 0.000 0.471 617 L N 3.660 125.053 121.223 0.284 0.000 2.333 617 L HA 0.667 5.007 4.340 0.001 0.000 0.280 617 L C -0.937 176.088 176.870 0.258 0.000 1.004 617 L CA -0.717 54.222 54.840 0.166 0.000 0.820 617 L CB 0.858 42.977 42.059 0.101 0.000 1.247 617 L HN 0.634 nan 8.230 nan 0.000 0.416 618 F N 1.133 121.123 119.950 0.065 0.000 2.693 618 F HA 0.554 5.081 4.527 0.001 0.000 0.309 618 F C -0.457 175.248 175.800 -0.159 0.000 1.129 618 F CA -1.444 56.461 58.000 -0.157 0.000 0.948 618 F CB 1.405 40.337 39.000 -0.114 0.000 1.315 618 F HN 0.325 nan 8.300 nan 0.000 0.447 619 M N 3.164 122.625 119.600 -0.232 0.000 2.327 619 M HA 0.417 4.897 4.480 0.001 0.000 0.353 619 M C 1.050 177.372 176.300 0.037 0.000 1.539 619 M CA 1.931 57.151 55.300 -0.133 0.000 1.039 619 M CB -0.369 32.142 32.600 -0.147 0.000 1.967 619 M HN 1.503 nan 8.290 nan 0.000 0.459 620 G N 3.888 112.688 108.800 -0.000 0.000 2.175 620 G HA2 -0.236 3.725 3.960 0.001 0.000 0.244 620 G HA3 -0.236 3.725 3.960 0.001 0.000 0.244 620 G C 0.229 175.044 174.900 -0.141 0.000 0.982 620 G CA 0.302 45.399 45.100 -0.005 0.000 0.641 620 G HN 0.963 nan 8.290 nan 0.000 0.527 621 M N 0.147 119.437 119.600 -0.518 0.000 2.219 621 M HA 0.522 5.002 4.480 0.001 0.000 0.307 621 M C -0.018 176.111 176.300 -0.284 0.000 1.116 621 M CA 0.294 55.159 55.300 -0.725 0.000 1.181 621 M CB 0.367 32.340 32.600 -1.045 0.000 1.410 621 M HN 0.057 nan 8.290 nan 0.000 0.454 622 D N 1.824 122.114 120.400 -0.183 0.000 2.347 622 D HA 0.238 4.878 4.640 0.001 0.000 0.235 622 D C 0.902 177.133 176.300 -0.115 0.000 1.149 622 D CA -0.598 53.349 54.000 -0.088 0.000 0.850 622 D CB 1.365 42.147 40.800 -0.029 0.000 1.061 622 D HN 0.602 nan 8.370 nan 0.000 0.487 623 V N 2.564 122.412 119.914 -0.110 0.000 2.591 623 V HA -0.109 4.012 4.120 0.001 0.000 0.249 623 V C 1.994 178.051 176.094 -0.062 0.000 1.053 623 V CA 0.787 63.006 62.300 -0.134 0.000 1.068 623 V CB -0.635 31.097 31.823 -0.151 0.000 0.689 623 V HN 0.386 nan 8.190 nan 0.000 0.462 624 V N 1.667 121.571 119.914 -0.017 0.000 2.295 624 V HA -0.290 3.831 4.120 0.001 0.000 0.246 624 V C 2.499 178.578 176.094 -0.026 0.000 1.049 624 V CA 2.756 65.034 62.300 -0.036 0.000 1.024 624 V CB -0.933 30.826 31.823 -0.107 0.000 0.648 624 V HN 0.718 nan 8.190 nan 0.000 0.447 625 D N -0.177 120.211 120.400 -0.020 0.000 2.084 625 D HA -0.185 4.456 4.640 0.001 0.000 0.194 625 D C 2.149 178.469 176.300 0.033 0.000 0.990 625 D CA 2.043 56.048 54.000 0.010 0.000 0.826 625 D CB -0.102 40.709 40.800 0.018 0.000 0.971 625 D HN 0.413 nan 8.370 nan 0.000 0.453 626 T N 0.096 114.658 114.554 0.013 0.000 2.708 626 T HA -0.119 4.232 4.350 0.001 0.000 0.266 626 T C 2.044 176.766 174.700 0.036 0.000 1.037 626 T CA 1.050 63.172 62.100 0.036 0.000 1.146 626 T CB -0.355 68.468 68.868 -0.074 0.000 0.865 626 T HN 0.142 nan 8.240 nan 0.000 0.435 627 L N 1.545 122.757 121.223 -0.019 0.000 2.056 627 L HA -0.110 4.231 4.340 0.001 0.000 0.207 627 L C 2.975 179.897 176.870 0.087 0.000 1.078 627 L CA 1.477 56.347 54.840 0.051 0.000 0.749 627 L CB -0.812 41.259 42.059 0.019 0.000 0.901 627 L HN 0.365 nan 8.230 nan 0.000 0.433 628 S N -1.370 114.364 115.700 0.056 0.000 2.382 628 S HA -0.163 4.308 4.470 0.001 0.000 0.228 628 S C 2.091 176.741 174.600 0.082 0.000 1.027 628 S CA 1.370 59.604 58.200 0.057 0.000 0.991 628 S CB -0.524 62.693 63.200 0.027 0.000 0.823 628 S HN 0.311 nan 8.310 nan 0.000 0.469 629 S N 1.600 117.363 115.700 0.105 0.000 2.382 629 S HA -0.067 4.404 4.470 0.001 0.000 0.228 629 S C 2.061 176.767 174.600 0.176 0.000 1.027 629 S CA 1.567 59.848 58.200 0.134 0.000 0.991 629 S CB -0.890 62.407 63.200 0.161 0.000 0.823 629 S HN 0.716 nan 8.310 nan 0.000 0.469 630 T N 2.957 117.642 114.554 0.218 0.000 2.708 630 T HA 0.019 4.370 4.350 0.001 0.000 0.266 630 T C 1.741 176.530 174.700 0.149 0.000 1.037 630 T CA 1.019 63.260 62.100 0.233 0.000 1.146 630 T CB -0.432 68.593 68.868 0.262 0.000 0.865 630 T HN 0.265 nan 8.240 nan 0.000 0.435 631 L N 0.836 122.133 121.223 0.123 0.000 2.083 631 L HA -0.109 4.232 4.340 0.001 0.000 0.209 631 L C 2.447 179.363 176.870 0.075 0.000 1.083 631 L CA 1.067 55.960 54.840 0.088 0.000 0.752 631 L CB -0.610 41.497 42.059 0.080 0.000 0.899 631 L HN 0.170 nan 8.230 nan 0.000 0.433 632 D N 0.440 120.887 120.400 0.078 0.000 2.097 632 D HA -0.150 4.490 4.640 0.001 0.000 0.195 632 D C 2.275 178.617 176.300 0.070 0.000 0.989 632 D CA 1.291 55.331 54.000 0.066 0.000 0.827 632 D CB -0.154 40.685 40.800 0.065 0.000 0.966 632 D HN 0.295 nan 8.370 nan 0.000 0.456 633 I N 0.592 121.217 120.570 0.091 0.000 2.208 633 I HA -0.223 3.948 4.170 0.001 0.000 0.245 633 I C 2.049 178.209 176.117 0.072 0.000 1.097 633 I CA 0.794 62.147 61.300 0.088 0.000 1.363 633 I CB -0.179 37.896 38.000 0.125 0.000 1.051 633 I HN -0.045 nan 8.210 nan 0.000 0.413 634 L N 0.704 121.969 121.223 0.069 0.000 2.622 634 L HA 0.084 4.424 4.340 0.001 0.000 0.233 634 L C 1.500 178.393 176.870 0.039 0.000 1.156 634 L CA 0.544 55.414 54.840 0.050 0.000 0.866 634 L CB -0.767 41.319 42.059 0.044 0.000 0.980 634 L HN 0.541 nan 8.230 nan 0.000 0.448 635 G N 0.183 109.006 108.800 0.039 0.000 2.160 635 G HA2 -0.250 3.710 3.960 0.001 0.000 0.251 635 G HA3 -0.250 3.710 3.960 0.001 0.000 0.251 635 G C 0.193 175.111 174.900 0.030 0.000 1.008 635 G CA 0.091 45.210 45.100 0.031 0.000 0.724 635 G HN 0.134 nan 8.290 nan 0.000 0.514 636 V N 0.998 120.933 119.914 0.035 0.000 2.555 636 V HA 0.598 4.719 4.120 0.001 0.000 0.286 636 V C 1.299 177.412 176.094 0.032 0.000 1.044 636 V CA -0.186 62.134 62.300 0.034 0.000 1.026 636 V CB 0.960 32.807 31.823 0.040 0.000 0.981 636 V HN 1.141 nan 8.190 nan 0.000 0.480 637 A N 5.791 128.627 122.820 0.027 0.000 2.492 637 A HA 0.498 4.819 4.320 0.001 0.000 0.236 637 A C 0.463 178.062 177.584 0.026 0.000 1.078 637 A CA 0.519 52.571 52.037 0.025 0.000 0.773 637 A CB 0.187 19.200 19.000 0.022 0.000 1.023 637 A HN 0.992 nan 8.150 nan 0.000 0.504 638 K N 0.000 120.414 120.400 0.023 0.000 2.780 638 K HA 0.000 4.321 4.320 0.001 0.000 0.191 638 K CA 0.000 56.299 56.287 0.020 0.000 0.838 638 K CB 0.000 32.512 32.500 0.020 0.000 1.064 638 K HN 0.000 nan 8.250 nan 0.000 0.543