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 3bc9_1_A DATA FIRST_RESID 15 DATA SEQUENCE SLFLIESEPS TGASVSKNLT EIILIFSNDI NKVSQLALTD LITDSDIQGI DATA SEQUENCE DYNIEGNKVI INNFSLEPTC NYRLSYEVID IYDNHLQGYI EFLVNQSNYP DATA SEQUENCE QIPDQEVNHT ILQAFYWEMN TGEYATEHPE EANLWNLLAE RAPELAEAGF DATA SEQUENCE TAVWLPPANK GMAGIHDVGY GTYDLWDLGE FDQKGTVRTK YGTKGELENA DATA SEQUENCE IDALHNNDIK VYFDAVLNHR MGADYAETVL LDENSRDKPG QYIKAWTGFN DATA SEQUENCE FPGRNGEYSN FTWNGQCFDG TDWDDYSKES GKYLFDEKSW DWTYNWDEDY DATA SEQUENCE LMGADVDYEN EAVQNDVIDW GQWIINNIDF DGFRLDAVKH IDYRFIDKWM DATA SEQUENCE SAVQNSSNRD VFFVGEAWVE DVDDLKGFLD TVGNPDLRVF DFPLRSFFVD DATA SEQUENCE MLNGAYMADL RNAGLVNSPG YENRAVTFVD NHDTDRDEGS YTVSIYSRKY DATA SEQUENCE QAYAYILTRA EGVPTVYWKD YYIWEMKEGL DKLLTARRYY AYGPGYEVDN DATA SEQUENCE NDADIYSYVR SGFPDVAGDG LVLMISDGTS GNVAGKWINS RQPDTEFYDL DATA SEQUENCE TGHIKEHVTT DSEGYGNFKV IKSEDKGWSI WVPVE 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 15 S HA 0.000 nan 4.470 nan 0.000 0.327 15 S C 0.000 174.770 174.600 0.284 0.000 1.055 15 S CA 0.000 58.339 58.200 0.231 0.000 1.107 15 S CB 0.000 63.366 63.200 0.276 0.000 0.593 16 L N 4.439 125.810 121.223 0.246 0.000 2.264 16 L HA 0.874 5.222 4.340 0.013 0.000 0.289 16 L C -1.061 176.000 176.870 0.319 0.000 1.044 16 L CA 0.150 55.092 54.840 0.169 0.000 0.807 16 L CB -0.348 41.784 42.059 0.121 0.000 1.192 16 L HN 0.612 nan 8.230 nan 0.000 0.425 17 F N 3.304 123.376 119.950 0.204 0.000 2.711 17 F HA 0.565 5.101 4.527 0.016 0.000 0.313 17 F C -1.588 174.373 175.800 0.268 0.000 1.141 17 F CA -1.560 56.571 58.000 0.217 0.000 0.941 17 F CB 0.934 40.011 39.000 0.128 0.000 1.349 17 F HN 0.323 nan 8.300 nan 0.000 0.464 18 L N 2.872 124.306 121.223 0.352 0.000 2.281 18 L HA 0.459 4.807 4.340 0.013 0.000 0.285 18 L C 0.139 177.054 176.870 0.074 0.000 1.074 18 L CA -0.052 54.783 54.840 -0.008 0.000 0.817 18 L CB 0.595 42.615 42.059 -0.065 0.000 1.168 18 L HN 0.813 nan 8.230 nan 0.000 0.434 19 I N 3.134 123.644 120.570 -0.100 0.000 2.235 19 I HA -0.010 4.168 4.170 0.013 0.000 0.241 19 I C 0.433 176.541 176.117 -0.016 0.000 1.085 19 I CA 0.758 62.069 61.300 0.019 0.000 1.378 19 I CB 0.056 38.019 38.000 -0.062 0.000 1.076 19 I HN 0.778 nan 8.210 nan 0.000 0.415 20 E N -0.352 119.776 120.200 -0.120 0.000 2.416 20 E HA 0.498 4.856 4.350 0.013 0.000 0.280 20 E C -1.145 175.353 176.600 -0.169 0.000 1.055 20 E CA -0.960 55.380 56.400 -0.101 0.000 0.825 20 E CB 1.615 31.278 29.700 -0.061 0.000 1.312 20 E HN 0.027 nan 8.360 nan 0.000 0.452 21 S N -0.120 115.509 115.700 -0.119 0.000 2.569 21 S HA 0.584 5.062 4.470 0.013 0.000 0.280 21 S C -0.988 173.563 174.600 -0.081 0.000 1.111 21 S CA -0.930 57.196 58.200 -0.123 0.000 0.887 21 S CB 1.880 65.015 63.200 -0.108 0.000 1.095 21 S HN 0.645 nan 8.310 nan 0.000 0.476 22 E N 2.094 122.245 120.200 -0.083 0.000 2.220 22 E HA 0.465 4.823 4.350 0.013 0.000 0.256 22 E C -2.654 173.886 176.600 -0.100 0.000 0.881 22 E CA -2.474 53.881 56.400 -0.074 0.000 0.766 22 E CB 1.528 31.191 29.700 -0.061 0.000 1.187 22 E HN 0.507 nan 8.360 nan 0.000 0.419 23 P HA 0.084 nan 4.420 nan 0.000 0.274 23 P C -0.571 176.698 177.300 -0.052 0.000 1.246 23 P CA -0.464 62.571 63.100 -0.108 0.000 0.795 23 P CB 1.097 32.687 31.700 -0.182 0.000 1.006 24 S N -0.112 115.576 115.700 -0.019 0.000 2.576 24 S HA 0.118 4.596 4.470 0.013 0.000 0.276 24 S C 0.665 175.289 174.600 0.040 0.000 1.339 24 S CA -0.077 58.125 58.200 0.003 0.000 1.039 24 S CB -0.115 63.093 63.200 0.012 0.000 0.902 24 S HN 0.561 nan 8.310 nan 0.000 0.516 25 T N 1.326 115.901 114.554 0.035 0.000 2.946 25 T HA 0.383 4.741 4.350 0.013 0.000 0.311 25 T C 1.428 176.176 174.700 0.079 0.000 1.063 25 T CA 1.266 63.404 62.100 0.063 0.000 1.139 25 T CB -0.369 68.490 68.868 -0.014 0.000 0.994 25 T HN 1.109 nan 8.240 nan 0.000 0.547 26 G N 2.499 111.369 108.800 0.117 0.000 2.199 26 G HA2 -0.104 3.864 3.960 0.013 0.000 0.254 26 G HA3 -0.104 3.864 3.960 0.013 0.000 0.254 26 G C 0.368 175.320 174.900 0.087 0.000 0.982 26 G CA 0.147 45.302 45.100 0.093 0.000 0.632 26 G HN 1.291 nan 8.290 nan 0.000 0.529 27 A N 0.084 122.973 122.820 0.114 0.000 2.425 27 A HA 0.662 4.990 4.320 0.013 0.000 0.242 27 A C 0.764 178.427 177.584 0.131 0.000 1.077 27 A CA 1.099 53.194 52.037 0.096 0.000 0.781 27 A CB 0.437 19.476 19.000 0.065 0.000 1.020 27 A HN 1.063 nan 8.150 nan 0.000 0.494 28 S N -0.295 115.465 115.700 0.099 0.000 2.462 28 S HA 0.547 5.025 4.470 0.013 0.000 0.294 28 S C -0.088 174.577 174.600 0.108 0.000 1.144 28 S CA -0.277 57.999 58.200 0.127 0.000 1.088 28 S CB 1.034 64.300 63.200 0.109 0.000 1.009 28 S HN 1.380 nan 8.310 nan 0.000 0.484 29 V N 0.869 120.860 119.914 0.128 0.000 3.001 29 V HA 0.792 4.920 4.120 0.013 0.000 0.314 29 V C 0.168 176.315 176.094 0.089 0.000 1.099 29 V CA -0.985 61.354 62.300 0.066 0.000 0.989 29 V CB 1.717 33.516 31.823 -0.041 0.000 1.040 29 V HN 0.698 nan 8.190 nan 0.000 0.434 30 S N 1.221 116.957 115.700 0.060 0.000 2.576 30 S HA 0.200 4.678 4.470 0.013 0.000 0.276 30 S C 1.208 175.848 174.600 0.066 0.000 1.339 30 S CA 0.314 58.552 58.200 0.063 0.000 1.039 30 S CB 0.793 64.020 63.200 0.045 0.000 0.902 30 S HN 1.121 nan 8.310 nan 0.000 0.516 31 K N 3.388 123.828 120.400 0.067 0.000 2.360 31 K HA -0.102 4.226 4.320 0.013 0.000 0.201 31 K C 1.030 177.662 176.600 0.054 0.000 1.046 31 K CA 2.019 58.349 56.287 0.073 0.000 0.940 31 K CB -0.484 32.052 32.500 0.059 0.000 0.748 31 K HN 0.665 nan 8.250 nan 0.000 0.465 32 N N 0.627 119.347 118.700 0.033 0.000 2.521 32 N HA -0.000 4.748 4.740 0.013 0.000 0.188 32 N C -0.249 175.258 175.510 -0.004 0.000 1.146 32 N CA -0.353 52.703 53.050 0.009 0.000 0.893 32 N CB 0.005 38.495 38.487 0.006 0.000 0.975 32 N HN 0.114 nan 8.380 nan 0.000 0.451 33 L N 0.842 122.074 121.223 0.016 0.000 2.540 33 L HA -0.055 4.293 4.340 0.013 0.000 0.276 33 L C 1.336 178.186 176.870 -0.033 0.000 1.212 33 L CA 0.961 55.803 54.840 0.003 0.000 0.893 33 L CB 0.924 42.990 42.059 0.010 0.000 1.138 33 L HN -0.134 nan 8.230 nan 0.000 0.491 34 T N 3.385 117.873 114.554 -0.109 0.000 2.990 34 T HA 0.193 4.551 4.350 0.013 0.000 0.250 34 T C 0.059 174.545 174.700 -0.357 0.000 1.041 34 T CA 0.570 62.498 62.100 -0.287 0.000 1.010 34 T CB -0.033 68.714 68.868 -0.200 0.000 1.003 34 T HN 0.812 nan 8.240 nan 0.000 0.499 35 E N 0.227 120.366 120.200 -0.101 0.000 2.390 35 E HA 0.489 4.847 4.350 0.013 0.000 0.277 35 E C -1.574 175.094 176.600 0.114 0.000 0.939 35 E CA -1.026 55.382 56.400 0.013 0.000 0.769 35 E CB 1.515 31.199 29.700 -0.028 0.000 1.251 35 E HN 0.224 nan 8.360 nan 0.000 0.450 36 I N 2.076 122.746 120.570 0.167 0.000 2.404 36 I HA 0.391 4.569 4.170 0.013 0.000 0.293 36 I C -0.330 175.807 176.117 0.033 0.000 0.992 36 I CA -0.933 60.401 61.300 0.057 0.000 1.149 36 I CB 1.430 39.468 38.000 0.064 0.000 1.315 36 I HN 0.403 nan 8.210 nan 0.000 0.446 37 I N 7.035 127.591 120.570 -0.023 0.000 2.362 37 I HA 0.401 4.579 4.170 0.013 0.000 0.289 37 I C -0.651 175.400 176.117 -0.110 0.000 0.994 37 I CA -0.587 60.686 61.300 -0.046 0.000 1.158 37 I CB 1.394 39.365 38.000 -0.049 0.000 1.315 37 I HN 0.297 nan 8.210 nan 0.000 0.451 38 L N 7.178 128.307 121.223 -0.157 0.000 2.307 38 L HA 0.597 4.945 4.340 0.013 0.000 0.284 38 L C -0.476 176.131 176.870 -0.438 0.000 1.023 38 L CA -0.595 54.015 54.840 -0.384 0.000 0.810 38 L CB 1.907 43.675 42.059 -0.484 0.000 1.231 38 L HN 0.463 nan 8.230 nan 0.000 0.423 39 I N 2.828 123.072 120.570 -0.544 0.000 2.382 39 I HA 0.382 4.560 4.170 0.013 0.000 0.286 39 I C -0.662 175.109 176.117 -0.577 0.000 1.002 39 I CA -0.270 60.799 61.300 -0.384 0.000 1.135 39 I CB 1.344 39.219 38.000 -0.208 0.000 1.288 39 I HN 0.366 nan 8.210 nan 0.000 0.448 40 F N 2.601 122.453 119.950 -0.165 0.000 2.450 40 F HA 0.224 4.758 4.527 0.013 0.000 0.328 40 F C 1.726 177.365 175.800 -0.268 0.000 1.068 40 F CA -0.364 57.506 58.000 -0.217 0.000 1.007 40 F CB 1.681 40.566 39.000 -0.193 0.000 1.251 40 F HN 0.525 nan 8.300 nan 0.000 0.492 41 S N -0.321 115.241 115.700 -0.231 0.000 2.453 41 S HA 0.050 4.528 4.470 0.013 0.000 0.231 41 S C 0.311 174.831 174.600 -0.133 0.000 1.005 41 S CA 0.509 58.467 58.200 -0.403 0.000 0.949 41 S CB -0.370 62.206 63.200 -1.039 0.000 0.774 41 S HN 0.572 nan 8.310 nan 0.000 0.510 42 N N 1.227 119.903 118.700 -0.041 0.000 2.380 42 N HA 0.414 5.162 4.740 0.013 0.000 0.290 42 N C -1.766 173.723 175.510 -0.036 0.000 1.236 42 N CA -0.677 52.382 53.050 0.014 0.000 0.780 42 N CB 1.039 39.578 38.487 0.087 0.000 1.438 42 N HN 0.043 nan 8.380 nan 0.000 0.491 43 D N 0.535 120.888 120.400 -0.079 0.000 2.443 43 D HA 0.129 4.777 4.640 0.013 0.000 0.239 43 D C 0.155 176.358 176.300 -0.161 0.000 1.136 43 D CA 0.332 54.270 54.000 -0.105 0.000 0.879 43 D CB 0.792 41.521 40.800 -0.119 0.000 1.195 43 D HN 0.236 nan 8.370 nan 0.000 0.443 44 I N 2.539 123.026 120.570 -0.139 0.000 2.377 44 I HA 0.083 4.261 4.170 0.013 0.000 0.293 44 I C 1.267 177.295 176.117 -0.147 0.000 0.987 44 I CA -0.371 60.815 61.300 -0.190 0.000 1.185 44 I CB 1.328 39.201 38.000 -0.211 0.000 1.341 44 I HN 0.284 nan 8.210 nan 0.000 0.455 45 N N 4.968 123.570 118.700 -0.163 0.000 2.368 45 N HA 0.059 4.807 4.740 0.013 0.000 0.178 45 N C 0.081 175.536 175.510 -0.091 0.000 1.021 45 N CA 1.311 54.289 53.050 -0.120 0.000 0.875 45 N CB 0.625 39.035 38.487 -0.128 0.000 1.020 45 N HN 0.499 nan 8.380 nan 0.000 0.433 46 K N -0.285 120.037 120.400 -0.129 0.000 2.498 46 K HA 0.371 4.699 4.320 0.013 0.000 0.254 46 K C -1.638 174.856 176.600 -0.176 0.000 0.933 46 K CA -0.748 55.478 56.287 -0.102 0.000 0.806 46 K CB 2.935 35.377 32.500 -0.097 0.000 1.301 46 K HN -0.267 nan 8.250 nan 0.000 0.432 47 V N 3.344 123.138 119.914 -0.201 0.000 2.334 47 V HA 0.017 4.145 4.120 0.013 0.000 0.267 47 V C 1.229 177.191 176.094 -0.221 0.000 1.040 47 V CA 0.002 62.096 62.300 -0.342 0.000 0.866 47 V CB 0.750 32.072 31.823 -0.836 0.000 1.019 47 V HN 0.983 nan 8.190 nan 0.000 0.468 48 S N 3.363 118.974 115.700 -0.147 0.000 2.395 48 S HA 0.010 4.488 4.470 0.013 0.000 0.225 48 S C 0.630 175.205 174.600 -0.041 0.000 1.027 48 S CA 0.329 58.484 58.200 -0.074 0.000 0.965 48 S CB 0.140 63.302 63.200 -0.063 0.000 0.812 48 S HN 0.710 nan 8.310 nan 0.000 0.482 49 Q N -0.486 119.287 119.800 -0.046 0.000 2.340 49 Q HA 0.704 5.052 4.340 0.013 0.000 0.276 49 Q C -2.415 173.585 176.000 0.001 0.000 1.048 49 Q CA -0.822 54.976 55.803 -0.007 0.000 0.832 49 Q CB 1.958 30.701 28.738 0.009 0.000 1.373 49 Q HN 0.325 nan 8.270 nan 0.000 0.409 50 L N 2.190 123.428 121.223 0.025 0.000 2.565 50 L HA 0.919 5.267 4.340 0.013 0.000 0.261 50 L C -2.137 174.779 176.870 0.076 0.000 0.932 50 L CA 0.022 54.898 54.840 0.060 0.000 0.878 50 L CB 2.263 44.339 42.059 0.027 0.000 1.333 50 L HN 0.700 nan 8.230 nan 0.000 0.409 51 A N 4.032 126.902 122.820 0.083 0.000 2.520 51 A HA 0.786 5.114 4.320 0.013 0.000 0.298 51 A C -2.220 175.405 177.584 0.069 0.000 1.051 51 A CA -0.465 51.613 52.037 0.068 0.000 0.690 51 A CB 1.698 20.724 19.000 0.042 0.000 1.281 51 A HN 0.726 nan 8.150 nan 0.000 0.402 52 L N 1.915 123.171 121.223 0.055 0.000 2.294 52 L HA 0.695 5.043 4.340 0.013 0.000 0.283 52 L C -0.453 176.455 176.870 0.064 0.000 1.015 52 L CA 0.411 55.268 54.840 0.029 0.000 0.831 52 L CB 1.467 43.486 42.059 -0.067 0.000 1.217 52 L HN 0.634 nan 8.230 nan 0.000 0.420 53 T N 3.255 117.847 114.554 0.064 0.000 2.779 53 T HA 0.234 4.592 4.350 0.013 0.000 0.280 53 T C -0.787 173.906 174.700 -0.011 0.000 0.987 53 T CA -0.395 61.721 62.100 0.026 0.000 0.966 53 T CB 1.029 69.879 68.868 -0.031 0.000 0.933 53 T HN 0.519 nan 8.240 nan 0.000 0.442 54 D N 3.201 123.557 120.400 -0.075 0.000 2.338 54 D HA 0.082 4.730 4.640 0.013 0.000 0.255 54 D C 0.909 177.032 176.300 -0.294 0.000 1.237 54 D CA -0.289 53.492 54.000 -0.365 0.000 0.883 54 D CB 0.616 41.260 40.800 -0.261 0.000 1.087 54 D HN 0.455 nan 8.370 nan 0.000 0.485 55 L N 3.970 124.982 121.223 -0.352 0.000 2.478 55 L HA -0.067 4.281 4.340 0.013 0.000 0.223 55 L C 1.739 178.466 176.870 -0.239 0.000 1.140 55 L CA 0.014 54.707 54.840 -0.245 0.000 0.842 55 L CB -0.036 41.890 42.059 -0.220 0.000 0.953 55 L HN 0.504 nan 8.230 nan 0.000 0.452 56 I N -0.355 120.031 120.570 -0.307 0.000 2.400 56 I HA -0.118 4.060 4.170 0.013 0.000 0.248 56 I C 2.570 178.547 176.117 -0.233 0.000 1.109 56 I CA 1.695 62.794 61.300 -0.336 0.000 1.425 56 I CB -1.384 36.294 38.000 -0.538 0.000 1.094 56 I HN 0.298 nan 8.210 nan 0.000 0.425 57 T N -2.605 111.829 114.554 -0.199 0.000 3.081 57 T HA 0.021 4.379 4.350 0.013 0.000 0.250 57 T C 0.758 175.397 174.700 -0.102 0.000 1.100 57 T CA 0.321 62.344 62.100 -0.129 0.000 1.038 57 T CB -0.148 68.659 68.868 -0.103 0.000 0.962 57 T HN 0.201 nan 8.240 nan 0.000 0.516 58 D N 0.755 121.085 120.400 -0.116 0.000 2.705 58 D HA -0.149 4.499 4.640 0.013 0.000 0.240 58 D C -1.041 175.221 176.300 -0.064 0.000 1.137 58 D CA 0.382 54.328 54.000 -0.090 0.000 0.677 58 D CB -1.508 39.246 40.800 -0.076 0.000 1.049 58 D HN 0.530 nan 8.370 nan 0.000 0.427 59 S N 0.845 116.508 115.700 -0.061 0.000 2.502 59 S HA 0.456 4.934 4.470 0.013 0.000 0.304 59 S C -0.689 173.908 174.600 -0.006 0.000 1.097 59 S CA -1.039 57.145 58.200 -0.028 0.000 1.045 59 S CB 1.829 65.016 63.200 -0.021 0.000 1.019 59 S HN 0.140 nan 8.310 nan 0.000 0.481 60 D N 2.009 122.414 120.400 0.009 0.000 2.264 60 D HA 0.298 4.946 4.640 0.013 0.000 0.250 60 D C 0.211 176.541 176.300 0.050 0.000 1.113 60 D CA -0.209 53.809 54.000 0.030 0.000 0.871 60 D CB 0.679 41.495 40.800 0.026 0.000 1.167 60 D HN 0.409 nan 8.370 nan 0.000 0.447 61 I N 3.067 123.681 120.570 0.073 0.000 2.598 61 I HA -0.090 4.088 4.170 0.013 0.000 0.284 61 I C 0.879 177.046 176.117 0.083 0.000 1.140 61 I CA -0.099 61.254 61.300 0.089 0.000 1.420 61 I CB 0.340 38.405 38.000 0.108 0.000 1.387 61 I HN 0.042 nan 8.210 nan 0.000 0.553 62 Q N 4.359 124.204 119.800 0.074 0.000 2.299 62 Q HA 0.286 4.634 4.340 0.013 0.000 0.246 62 Q C 0.987 177.034 176.000 0.079 0.000 0.935 62 Q CA 0.270 56.113 55.803 0.068 0.000 0.887 62 Q CB 1.381 30.150 28.738 0.051 0.000 1.223 62 Q HN 0.975 nan 8.270 nan 0.000 0.439 63 G N 1.238 110.083 108.800 0.076 0.000 2.157 63 G HA2 -0.256 3.712 3.960 0.013 0.000 0.248 63 G HA3 -0.256 3.712 3.960 0.013 0.000 0.248 63 G C 0.336 175.292 174.900 0.094 0.000 0.979 63 G CA 0.325 45.467 45.100 0.071 0.000 0.650 63 G HN 0.684 nan 8.290 nan 0.000 0.529 64 I N -1.531 119.120 120.570 0.134 0.000 2.938 64 I HA 0.698 4.876 4.170 0.013 0.000 0.285 64 I C 0.033 176.245 176.117 0.159 0.000 1.182 64 I CA -0.278 61.133 61.300 0.184 0.000 1.388 64 I CB 0.974 39.113 38.000 0.233 0.000 1.390 64 I HN 0.017 nan 8.210 nan 0.000 0.600 65 D N 2.352 122.849 120.400 0.161 0.000 2.547 65 D HA 0.583 5.231 4.640 0.013 0.000 0.231 65 D C -1.474 174.930 176.300 0.172 0.000 1.099 65 D CA -0.325 53.732 54.000 0.095 0.000 0.901 65 D CB 1.760 42.561 40.800 0.002 0.000 1.478 65 D HN 0.605 nan 8.370 nan 0.000 0.471 66 Y N 0.184 120.514 120.300 0.049 0.000 2.609 66 Y HA 0.751 5.309 4.550 0.014 0.000 0.342 66 Y C -1.405 174.509 175.900 0.023 0.000 1.058 66 Y CA -1.151 56.977 58.100 0.046 0.000 1.055 66 Y CB 1.366 39.859 38.460 0.055 0.000 1.292 66 Y HN 0.255 nan 8.280 nan 0.000 0.476 67 N N 1.025 119.812 118.700 0.145 0.000 2.260 67 N HA 0.527 5.275 4.740 0.013 0.000 0.293 67 N C -2.045 173.566 175.510 0.169 0.000 1.058 67 N CA -0.595 52.493 53.050 0.062 0.000 0.824 67 N CB 1.953 40.440 38.487 -0.000 0.000 1.551 67 N HN 0.793 nan 8.380 nan 0.000 0.475 68 I N 1.638 122.294 120.570 0.144 0.000 2.359 68 I HA 0.320 4.498 4.170 0.013 0.000 0.294 68 I C -0.159 175.987 176.117 0.047 0.000 0.987 68 I CA -0.378 60.985 61.300 0.105 0.000 1.225 68 I CB 1.420 39.478 38.000 0.096 0.000 1.366 68 I HN 0.412 nan 8.210 nan 0.000 0.466 69 E N 4.989 125.211 120.200 0.035 0.000 2.675 69 E HA 0.409 4.767 4.350 0.013 0.000 0.236 69 E C 0.422 177.027 176.600 0.008 0.000 1.059 69 E CA -0.241 56.168 56.400 0.014 0.000 0.775 69 E CB 1.452 31.159 29.700 0.010 0.000 1.356 69 E HN 0.907 nan 8.360 nan 0.000 0.403 70 G N 3.811 112.610 108.800 -0.002 0.000 2.557 70 G HA2 -0.402 3.566 3.960 0.013 0.000 0.292 70 G HA3 -0.402 3.566 3.960 0.013 0.000 0.292 70 G C 0.614 175.511 174.900 -0.005 0.000 1.162 70 G CA 0.457 45.550 45.100 -0.011 0.000 0.964 70 G HN 0.607 nan 8.290 nan 0.000 0.541 71 N N 1.614 120.320 118.700 0.009 0.000 2.270 71 N HA 0.121 4.869 4.740 0.013 0.000 0.198 71 N C 0.280 175.851 175.510 0.102 0.000 1.117 71 N CA 0.584 53.663 53.050 0.047 0.000 0.845 71 N CB 0.322 38.825 38.487 0.026 0.000 0.980 71 N HN 0.708 nan 8.380 nan 0.000 0.486 72 K N 0.528 120.965 120.400 0.061 0.000 2.164 72 K HA 0.498 4.826 4.320 0.013 0.000 0.258 72 K C -0.964 175.687 176.600 0.085 0.000 0.951 72 K CA -0.788 55.528 56.287 0.050 0.000 0.844 72 K CB 2.901 35.403 32.500 0.005 0.000 1.099 72 K HN -0.187 nan 8.250 nan 0.000 0.435 73 V N 4.235 124.207 119.914 0.096 0.000 2.487 73 V HA 0.373 4.501 4.120 0.013 0.000 0.298 73 V C -0.590 175.551 176.094 0.079 0.000 1.028 73 V CA -0.927 61.440 62.300 0.113 0.000 0.860 73 V CB 1.329 33.234 31.823 0.137 0.000 0.991 73 V HN 0.576 nan 8.190 nan 0.000 0.427 74 I N 6.117 126.749 120.570 0.102 0.000 2.339 74 I HA 0.516 4.694 4.170 0.013 0.000 0.290 74 I C -0.455 175.747 176.117 0.142 0.000 0.994 74 I CA -0.038 61.314 61.300 0.085 0.000 1.191 74 I CB 1.469 39.498 38.000 0.048 0.000 1.343 74 I HN 0.387 nan 8.210 nan 0.000 0.458 75 I N 7.587 128.254 120.570 0.162 0.000 2.404 75 I HA 0.534 4.712 4.170 0.013 0.000 0.293 75 I C -0.042 176.242 176.117 0.278 0.000 0.992 75 I CA -0.109 61.337 61.300 0.243 0.000 1.149 75 I CB 1.210 39.365 38.000 0.259 0.000 1.315 75 I HN 0.769 nan 8.210 nan 0.000 0.446 76 N N 3.238 122.063 118.700 0.208 0.000 3.522 76 N HA 0.388 5.136 4.740 0.013 0.000 0.328 76 N C -0.386 175.084 175.510 -0.067 0.000 1.623 76 N CA -0.918 52.091 53.050 -0.068 0.000 0.812 76 N CB 0.302 38.690 38.487 -0.165 0.000 2.008 76 N HN 0.368 nan 8.380 nan 0.000 0.601 77 N N -1.822 116.708 118.700 -0.282 0.000 2.783 77 N HA -0.144 4.604 4.740 0.013 0.000 0.247 77 N C -1.724 173.763 175.510 -0.039 0.000 1.089 77 N CA 0.951 53.916 53.050 -0.142 0.000 0.690 77 N CB -1.750 36.726 38.487 -0.019 0.000 0.991 77 N HN 0.562 nan 8.380 nan 0.000 0.552 78 F N -2.532 117.415 119.950 -0.005 0.000 2.599 78 F HA 0.729 5.264 4.527 0.014 0.000 0.311 78 F C 0.136 175.922 175.800 -0.023 0.000 1.076 78 F CA -1.372 56.621 58.000 -0.011 0.000 0.937 78 F CB 1.506 40.494 39.000 -0.021 0.000 1.282 78 F HN -0.085 nan 8.300 nan 0.000 0.460 79 S N 3.241 119.084 115.700 0.238 0.000 2.601 79 S HA 0.599 5.077 4.470 0.013 0.000 0.312 79 S C -0.815 173.894 174.600 0.181 0.000 1.107 79 S CA -0.592 57.700 58.200 0.154 0.000 1.129 79 S CB -0.138 63.112 63.200 0.083 0.000 0.982 79 S HN 0.694 nan 8.310 nan 0.000 0.469 80 L N 4.148 125.484 121.223 0.189 0.000 2.426 80 L HA 0.376 4.724 4.340 0.013 0.000 0.271 80 L C 0.542 177.513 176.870 0.168 0.000 1.169 80 L CA -0.148 54.758 54.840 0.110 0.000 0.836 80 L CB 0.554 42.667 42.059 0.090 0.000 1.112 80 L HN 0.595 nan 8.230 nan 0.000 0.465 81 E N 3.803 124.165 120.200 0.270 0.000 2.174 81 E HA 0.283 4.641 4.350 0.013 0.000 0.282 81 E C -2.330 174.349 176.600 0.132 0.000 0.992 81 E CA -2.011 54.490 56.400 0.170 0.000 0.803 81 E CB 1.065 30.852 29.700 0.145 0.000 1.090 81 E HN 0.314 nan 8.360 nan 0.000 0.396 82 P HA -0.128 nan 4.420 nan 0.000 0.265 82 P C 0.322 177.562 177.300 -0.100 0.000 1.187 82 P CA 0.876 63.968 63.100 -0.013 0.000 0.766 82 P CB 0.475 32.139 31.700 -0.059 0.000 0.820 83 T N -1.404 113.051 114.554 -0.165 0.000 7.013 83 T HA -0.255 4.103 4.350 0.013 0.000 0.288 83 T C 0.292 174.766 174.700 -0.378 0.000 2.146 83 T CA 0.737 62.530 62.100 -0.513 0.000 3.498 83 T CB -2.476 65.847 68.868 -0.908 0.000 1.517 83 T HN 0.602 nan 8.240 nan 0.000 1.113 84 C N 3.129 122.341 119.300 -0.146 0.000 2.466 84 C HA 0.607 5.075 4.460 0.013 0.000 0.379 84 C C 0.629 175.476 174.990 -0.239 0.000 1.251 84 C CA -0.647 58.237 59.018 -0.223 0.000 2.263 84 C CB 0.045 27.593 27.740 -0.319 0.000 2.511 84 C HN 0.629 nan 8.230 nan 0.000 0.573 85 N N 3.543 122.034 118.700 -0.348 0.000 2.438 85 N HA 0.389 5.137 4.740 0.013 0.000 0.282 85 N C -1.499 173.649 175.510 -0.602 0.000 1.037 85 N CA 0.051 52.917 53.050 -0.306 0.000 0.942 85 N CB 1.166 39.541 38.487 -0.187 0.000 1.136 85 N HN 0.662 nan 8.380 nan 0.000 0.481 86 Y N 0.318 120.325 120.300 -0.488 0.000 2.524 86 Y HA 0.429 4.987 4.550 0.013 0.000 0.344 86 Y C 0.349 175.933 175.900 -0.527 0.000 1.012 86 Y CA -0.966 56.779 58.100 -0.591 0.000 1.068 86 Y CB 2.036 39.916 38.460 -0.966 0.000 1.249 86 Y HN 0.265 nan 8.280 nan 0.000 0.468 87 R N 2.345 122.766 120.500 -0.131 0.000 2.513 87 R HA 0.574 4.922 4.340 0.013 0.000 0.301 87 R C -2.149 174.182 176.300 0.052 0.000 0.968 87 R CA -0.950 55.136 56.100 -0.024 0.000 0.872 87 R CB 1.214 31.492 30.300 -0.037 0.000 1.177 87 R HN 0.692 nan 8.270 nan 0.000 0.444 88 L N 4.368 125.686 121.223 0.158 0.000 2.264 88 L HA 0.378 4.726 4.340 0.013 0.000 0.287 88 L C -0.841 176.176 176.870 0.244 0.000 1.039 88 L CA 0.084 55.041 54.840 0.195 0.000 0.829 88 L CB 1.356 43.564 42.059 0.248 0.000 1.211 88 L HN 0.708 nan 8.230 nan 0.000 0.427 89 S N 4.147 119.944 115.700 0.162 0.000 2.525 89 S HA 0.782 5.260 4.470 0.013 0.000 0.290 89 S C -0.729 173.944 174.600 0.122 0.000 1.152 89 S CA -0.575 57.678 58.200 0.087 0.000 1.072 89 S CB 1.263 64.470 63.200 0.011 0.000 1.027 89 S HN 0.565 nan 8.310 nan 0.000 0.500 90 Y N -1.241 119.122 120.300 0.105 0.000 2.562 90 Y HA 0.778 5.336 4.550 0.013 0.000 0.345 90 Y C -1.006 174.916 175.900 0.036 0.000 1.045 90 Y CA -1.206 56.929 58.100 0.057 0.000 1.028 90 Y CB 1.271 39.786 38.460 0.093 0.000 1.297 90 Y HN 0.656 nan 8.280 nan 0.000 0.463 91 E N 2.658 122.951 120.200 0.155 0.000 2.241 91 E HA 0.544 4.902 4.350 0.013 0.000 0.263 91 E C -1.291 175.317 176.600 0.013 0.000 0.882 91 E CA -1.036 55.414 56.400 0.084 0.000 0.769 91 E CB 3.004 32.717 29.700 0.022 0.000 1.185 91 E HN 0.711 nan 8.360 nan 0.000 0.415 92 V N 0.133 120.020 119.914 -0.045 0.000 2.960 92 V HA 0.705 4.833 4.120 0.013 0.000 0.315 92 V C -0.358 175.552 176.094 -0.306 0.000 1.087 92 V CA -0.901 61.245 62.300 -0.257 0.000 0.982 92 V CB 1.797 33.288 31.823 -0.553 0.000 1.039 92 V HN 0.569 nan 8.190 nan 0.000 0.437 93 I N 2.849 123.209 120.570 -0.349 0.000 2.466 93 I HA 0.458 4.636 4.170 0.013 0.000 0.289 93 I C -0.693 175.260 176.117 -0.273 0.000 1.026 93 I CA -0.508 60.569 61.300 -0.372 0.000 1.078 93 I CB 1.852 39.582 38.000 -0.449 0.000 1.249 93 I HN 0.968 nan 8.210 nan 0.000 0.429 94 D N 6.151 126.424 120.400 -0.211 0.000 2.451 94 D HA 0.145 4.793 4.640 0.013 0.000 0.259 94 D C 1.113 177.280 176.300 -0.222 0.000 1.201 94 D CA -0.536 53.341 54.000 -0.206 0.000 1.028 94 D CB 0.875 41.590 40.800 -0.142 0.000 1.095 94 D HN 0.614 nan 8.370 nan 0.000 0.539 95 I N -3.097 117.250 120.570 -0.372 0.000 3.176 95 I HA -0.047 4.131 4.170 0.013 0.000 0.275 95 I C 0.551 176.398 176.117 -0.450 0.000 1.298 95 I CA 0.462 61.504 61.300 -0.430 0.000 1.445 95 I CB -0.662 37.035 38.000 -0.504 0.000 1.075 95 I HN 0.218 nan 8.210 nan 0.000 0.482 96 Y N 0.886 121.179 120.300 -0.011 0.000 2.524 96 Y HA 0.203 4.761 4.550 0.013 0.000 0.266 96 Y C 0.651 176.566 175.900 0.025 0.000 1.180 96 Y CA -0.368 57.736 58.100 0.008 0.000 1.244 96 Y CB 0.010 38.478 38.460 0.013 0.000 1.125 96 Y HN 0.173 nan 8.280 nan 0.000 0.524 97 D N 0.069 120.528 120.400 0.099 0.000 3.090 97 D HA -0.203 4.445 4.640 0.013 0.000 0.215 97 D C -0.821 175.609 176.300 0.216 0.000 1.140 97 D CA 0.462 54.536 54.000 0.123 0.000 0.937 97 D CB -1.319 39.561 40.800 0.132 0.000 1.108 97 D HN 0.270 nan 8.370 nan 0.000 0.420 98 N N 0.615 119.424 118.700 0.180 0.000 2.520 98 N HA 0.165 4.913 4.740 0.013 0.000 0.273 98 N C -0.129 175.492 175.510 0.185 0.000 1.155 98 N CA 0.314 53.486 53.050 0.203 0.000 0.967 98 N CB 0.471 39.053 38.487 0.159 0.000 1.092 98 N HN 0.255 nan 8.380 nan 0.000 0.457 99 H N 0.788 119.871 119.070 0.022 0.000 2.463 99 H HA 0.552 5.116 4.556 0.013 0.000 0.332 99 H C -0.478 174.868 175.328 0.031 0.000 1.127 99 H CA -0.537 55.517 56.048 0.008 0.000 1.238 99 H CB 1.323 31.092 29.762 0.011 0.000 1.478 99 H HN 0.313 nan 8.280 nan 0.000 0.499 100 L N 2.045 123.328 121.223 0.100 0.000 2.470 100 L HA 0.336 4.684 4.340 0.013 0.000 0.268 100 L C -1.060 175.898 176.870 0.147 0.000 0.964 100 L CA -0.426 54.500 54.840 0.142 0.000 0.839 100 L CB 1.930 44.094 42.059 0.175 0.000 1.276 100 L HN 0.668 nan 8.230 nan 0.000 0.403 101 Q N 3.270 123.128 119.800 0.096 0.000 2.293 101 Q HA 0.784 5.132 4.340 0.013 0.000 0.261 101 Q C -0.808 175.107 176.000 -0.141 0.000 0.960 101 Q CA -0.247 55.539 55.803 -0.028 0.000 0.882 101 Q CB 1.791 30.525 28.738 -0.008 0.000 1.275 101 Q HN 0.963 nan 8.270 nan 0.000 0.445 102 G N 2.167 110.593 108.800 -0.622 0.000 2.606 102 G HA2 0.522 4.490 3.960 0.013 0.000 0.300 102 G HA3 0.522 4.490 3.960 0.013 0.000 0.300 102 G C -2.123 172.331 174.900 -0.742 0.000 1.360 102 G CA -0.469 44.276 45.100 -0.593 0.000 0.783 102 G HN 0.709 nan 8.290 nan 0.000 0.484 103 Y N -1.506 118.585 120.300 -0.349 0.000 2.670 103 Y HA 0.802 5.359 4.550 0.011 0.000 0.334 103 Y C -0.908 175.071 175.900 0.132 0.000 1.185 103 Y CA -1.583 56.464 58.100 -0.087 0.000 1.053 103 Y CB 1.371 39.785 38.460 -0.077 0.000 1.298 103 Y HN 0.921 nan 8.280 nan 0.000 0.459 104 I N -0.897 119.752 120.570 0.132 0.000 2.934 104 I HA 0.809 4.987 4.170 0.013 0.000 0.306 104 I C -1.432 174.869 176.117 0.305 0.000 1.110 104 I CA -1.049 60.282 61.300 0.053 0.000 1.019 104 I CB 2.782 40.847 38.000 0.109 0.000 1.227 104 I HN 0.795 nan 8.210 nan 0.000 0.434 105 E N 3.156 123.515 120.200 0.264 0.000 2.288 105 E HA 0.713 5.071 4.350 0.013 0.000 0.268 105 E C -1.648 175.094 176.600 0.238 0.000 0.885 105 E CA -0.632 55.886 56.400 0.197 0.000 0.767 105 E CB 2.824 32.639 29.700 0.193 0.000 1.220 105 E HN 0.587 nan 8.360 nan 0.000 0.427 106 F N -0.109 119.908 119.950 0.110 0.000 2.741 106 F HA 0.679 5.213 4.527 0.013 0.000 0.313 106 F C -2.140 173.731 175.800 0.118 0.000 1.153 106 F CA -1.358 56.695 58.000 0.088 0.000 0.931 106 F CB 0.826 39.865 39.000 0.067 0.000 1.335 106 F HN 0.327 nan 8.300 nan 0.000 0.460 107 L N 2.040 123.460 121.223 0.328 0.000 2.381 107 L HA 0.845 5.193 4.340 0.013 0.000 0.268 107 L C -1.440 175.621 176.870 0.319 0.000 0.997 107 L CA -0.915 54.057 54.840 0.221 0.000 0.818 107 L CB 2.195 44.336 42.059 0.137 0.000 1.310 107 L HN 0.639 nan 8.230 nan 0.000 0.416 108 V N 4.446 124.530 119.914 0.283 0.000 2.439 108 V HA 0.424 4.552 4.120 0.013 0.000 0.282 108 V C 0.206 176.391 176.094 0.153 0.000 1.039 108 V CA -0.905 61.541 62.300 0.243 0.000 0.913 108 V CB 1.137 33.119 31.823 0.266 0.000 0.983 108 V HN 0.792 nan 8.190 nan 0.000 0.460 109 N N 2.669 121.454 118.700 0.141 0.000 2.441 109 N HA 0.055 4.803 4.740 0.013 0.000 0.251 109 N C 0.045 175.567 175.510 0.020 0.000 1.242 109 N CA -0.126 53.000 53.050 0.128 0.000 0.898 109 N CB 0.271 38.842 38.487 0.140 0.000 1.100 109 N HN 0.763 nan 8.380 nan 0.000 0.443 110 Q N 0.445 120.219 119.800 -0.043 0.000 2.364 110 Q HA 0.085 4.433 4.340 0.013 0.000 0.267 110 Q C 0.646 176.355 176.000 -0.485 0.000 0.999 110 Q CA 0.246 55.881 55.803 -0.280 0.000 0.886 110 Q CB 0.584 29.106 28.738 -0.359 0.000 1.243 110 Q HN 0.666 nan 8.270 nan 0.000 0.415 111 S N 1.982 117.471 115.700 -0.351 0.000 2.483 111 S HA 0.176 4.654 4.470 0.013 0.000 0.221 111 S C -0.159 174.255 174.600 -0.310 0.000 1.030 111 S CA 0.174 58.213 58.200 -0.269 0.000 0.925 111 S CB 0.083 63.210 63.200 -0.122 0.000 0.795 111 S HN 0.670 nan 8.310 nan 0.000 0.511 112 N N 0.778 119.276 118.700 -0.337 0.000 2.626 112 N HA 0.432 5.180 4.740 0.013 0.000 0.249 112 N C -1.661 173.695 175.510 -0.257 0.000 1.021 112 N CA -0.486 52.432 53.050 -0.219 0.000 0.886 112 N CB 0.932 39.350 38.487 -0.114 0.000 1.149 112 N HN 0.261 nan 8.380 nan 0.000 0.517 113 Y N 1.273 121.455 120.300 -0.198 0.000 2.316 113 Y HA 0.317 4.875 4.550 0.013 0.000 0.324 113 Y C -1.690 174.089 175.900 -0.202 0.000 1.267 113 Y CA -2.043 55.856 58.100 -0.336 0.000 1.311 113 Y CB 0.505 38.436 38.460 -0.883 0.000 1.267 113 Y HN 0.350 nan 8.280 nan 0.000 0.516 114 P HA -0.049 nan 4.420 nan 0.000 0.267 114 P C -1.164 176.163 177.300 0.044 0.000 1.200 114 P CA 0.053 63.152 63.100 -0.002 0.000 0.772 114 P CB 0.455 32.118 31.700 -0.061 0.000 0.855 115 Q N 2.799 122.614 119.800 0.025 0.000 2.465 115 Q HA 0.304 4.652 4.340 0.013 0.000 0.237 115 Q C -0.261 175.728 176.000 -0.018 0.000 1.051 115 Q CA -0.306 55.512 55.803 0.025 0.000 0.874 115 Q CB 0.559 29.307 28.738 0.017 0.000 1.207 115 Q HN 0.366 nan 8.270 nan 0.000 0.508 116 I N 4.474 125.016 120.570 -0.047 0.000 2.342 116 I HA 0.265 4.443 4.170 0.013 0.000 0.291 116 I C -1.948 174.113 176.117 -0.094 0.000 1.010 116 I CA -2.651 58.563 61.300 -0.143 0.000 1.308 116 I CB 0.522 38.329 38.000 -0.322 0.000 1.400 116 I HN 0.137 nan 8.210 nan 0.000 0.488 117 P HA 0.052 nan 4.420 nan 0.000 0.262 117 P C 0.341 177.611 177.300 -0.051 0.000 1.182 117 P CA 0.026 63.078 63.100 -0.080 0.000 0.761 117 P CB 0.671 32.300 31.700 -0.119 0.000 0.795 118 D N 1.722 122.106 120.400 -0.027 0.000 2.170 118 D HA -0.233 4.415 4.640 0.013 0.000 0.193 118 D C 1.619 177.928 176.300 0.016 0.000 1.004 118 D CA 1.542 55.539 54.000 -0.005 0.000 0.860 118 D CB -0.321 40.476 40.800 -0.005 0.000 0.931 118 D HN 0.541 nan 8.370 nan 0.000 0.448 119 Q N -0.089 119.714 119.800 0.005 0.000 2.364 119 Q HA -0.103 4.245 4.340 0.013 0.000 0.207 119 Q C 1.088 177.116 176.000 0.046 0.000 0.970 119 Q CA 1.021 56.839 55.803 0.025 0.000 0.888 119 Q CB 0.267 29.004 28.738 -0.002 0.000 0.951 119 Q HN 0.143 nan 8.270 nan 0.000 0.469 120 E N -0.811 119.411 120.200 0.037 0.000 2.526 120 E HA 0.106 4.464 4.350 0.013 0.000 0.208 120 E C -0.469 176.257 176.600 0.210 0.000 0.997 120 E CA -0.049 56.411 56.400 0.099 0.000 0.961 120 E CB 0.886 30.611 29.700 0.041 0.000 1.030 120 E HN 0.087 nan 8.360 nan 0.000 0.483 121 V N 3.339 123.345 119.914 0.152 0.000 2.694 121 V HA -0.068 4.060 4.120 0.013 0.000 0.306 121 V C 0.819 177.075 176.094 0.270 0.000 1.054 121 V CA -0.085 62.344 62.300 0.215 0.000 1.161 121 V CB 0.200 32.084 31.823 0.101 0.000 0.916 121 V HN 0.151 nan 8.190 nan 0.000 0.490 122 N N 3.067 121.939 118.700 0.288 0.000 2.441 122 N HA 0.080 4.828 4.740 0.013 0.000 0.251 122 N C -0.086 175.553 175.510 0.215 0.000 1.242 122 N CA 0.212 53.333 53.050 0.117 0.000 0.898 122 N CB 0.247 38.694 38.487 -0.066 0.000 1.100 122 N HN 0.692 nan 8.380 nan 0.000 0.443 123 H N 0.174 119.274 119.070 0.049 0.000 2.502 123 H HA 0.358 4.922 4.556 0.013 0.000 0.327 123 H C -0.230 175.134 175.328 0.061 0.000 1.099 123 H CA -0.310 55.771 56.048 0.056 0.000 1.323 123 H CB 1.032 30.847 29.762 0.088 0.000 1.450 123 H HN 0.308 nan 8.280 nan 0.000 0.502 124 T N 4.001 118.665 114.554 0.183 0.000 3.071 124 T HA 0.290 4.648 4.350 0.013 0.000 0.311 124 T C -0.167 174.704 174.700 0.285 0.000 1.042 124 T CA -0.691 61.522 62.100 0.188 0.000 1.028 124 T CB 1.070 69.969 68.868 0.051 0.000 1.068 124 T HN 0.357 nan 8.240 nan 0.000 0.451 125 I N 2.967 123.732 120.570 0.325 0.000 2.385 125 I HA 0.472 4.650 4.170 0.013 0.000 0.294 125 I C -0.561 175.735 176.117 0.298 0.000 0.988 125 I CA -1.067 60.410 61.300 0.295 0.000 1.265 125 I CB 1.443 39.646 38.000 0.338 0.000 1.388 125 I HN 0.350 nan 8.210 nan 0.000 0.480 126 L N 6.192 127.416 121.223 0.002 0.000 2.272 126 L HA 0.288 4.636 4.340 0.013 0.000 0.289 126 L C 0.016 176.904 176.870 0.030 0.000 1.032 126 L CA 0.032 54.717 54.840 -0.258 0.000 0.810 126 L CB 1.222 42.752 42.059 -0.882 0.000 1.205 126 L HN 0.592 nan 8.230 nan 0.000 0.422 127 Q N 4.438 124.291 119.800 0.089 0.000 2.324 127 Q HA 0.350 4.698 4.340 0.013 0.000 0.257 127 Q C -0.024 175.893 176.000 -0.138 0.000 1.080 127 Q CA -0.009 55.694 55.803 -0.167 0.000 0.907 127 Q CB 0.920 29.394 28.738 -0.441 0.000 1.274 127 Q HN 0.869 nan 8.270 nan 0.000 0.434 128 A N 5.993 128.754 122.820 -0.098 0.000 2.929 128 A HA 0.379 4.707 4.320 0.013 0.000 0.279 128 A C -0.697 176.669 177.584 -0.363 0.000 1.418 128 A CA -0.366 51.642 52.037 -0.048 0.000 1.035 128 A CB -0.728 18.256 19.000 -0.028 0.000 1.047 128 A HN 0.726 nan 8.150 nan 0.000 0.609 129 F N -3.473 116.173 119.950 -0.508 0.000 2.926 129 F HA 0.721 5.257 4.527 0.014 0.000 0.321 129 F C -1.100 174.653 175.800 -0.078 0.000 1.168 129 F CA -1.718 55.940 58.000 -0.570 0.000 0.890 129 F CB 0.852 39.478 39.000 -0.624 0.000 1.357 129 F HN 0.176 nan 8.300 nan 0.000 0.468 130 Y N -1.957 118.280 120.300 -0.105 0.000 2.705 130 Y HA 0.326 4.884 4.550 0.014 0.000 0.332 130 Y C -0.252 175.787 175.900 0.232 0.000 1.221 130 Y CA -1.647 56.502 58.100 0.081 0.000 1.059 130 Y CB 0.925 39.333 38.460 -0.088 0.000 1.298 130 Y HN 0.952 nan 8.280 nan 0.000 0.459 131 W N 1.284 122.713 121.300 0.216 0.000 2.381 131 W HA -0.073 4.595 4.660 0.014 0.000 0.301 131 W C 0.176 176.651 176.519 -0.072 0.000 1.205 131 W CA 2.426 59.867 57.345 0.161 0.000 1.285 131 W CB 0.312 29.924 29.460 0.253 0.000 1.133 131 W HN 0.874 nan 8.180 nan 0.000 0.521 132 E N 0.094 120.235 120.200 -0.099 0.000 2.465 132 E HA 0.022 4.380 4.350 0.013 0.000 0.191 132 E C 0.713 177.001 176.600 -0.521 0.000 1.053 132 E CA -0.125 56.124 56.400 -0.251 0.000 0.869 132 E CB -0.369 29.211 29.700 -0.200 0.000 0.977 132 E HN 0.068 nan 8.360 nan 0.000 0.483 133 M N 1.525 120.525 119.600 -1.000 0.000 2.261 133 M HA -0.099 4.389 4.480 0.013 0.000 0.350 133 M C -0.024 176.056 176.300 -0.365 0.000 1.343 133 M CA 0.614 55.387 55.300 -0.879 0.000 1.003 133 M CB 0.134 32.153 32.600 -0.969 0.000 1.848 133 M HN 0.126 nan 8.290 nan 0.000 0.456 134 N N 1.981 120.595 118.700 -0.143 0.000 2.735 134 N HA -0.158 4.590 4.740 0.013 0.000 0.248 134 N C -1.233 174.262 175.510 -0.026 0.000 1.083 134 N CA 1.335 54.347 53.050 -0.064 0.000 0.703 134 N CB -0.859 37.539 38.487 -0.147 0.000 1.005 134 N HN 0.934 nan 8.380 nan 0.000 0.550 135 T N -4.134 110.453 114.554 0.055 0.000 2.906 135 T HA 0.728 5.086 4.350 0.013 0.000 0.295 135 T C 1.127 175.951 174.700 0.206 0.000 1.061 135 T CA 0.301 62.458 62.100 0.096 0.000 1.000 135 T CB 1.871 70.777 68.868 0.063 0.000 1.103 135 T HN 0.899 nan 8.240 nan 0.000 0.486 136 G N 1.983 110.866 108.800 0.138 0.000 2.614 136 G HA2 -0.295 3.673 3.960 0.013 0.000 0.303 136 G HA3 -0.295 3.673 3.960 0.013 0.000 0.303 136 G C 0.763 175.717 174.900 0.090 0.000 1.270 136 G CA 0.652 45.826 45.100 0.123 0.000 0.988 136 G HN 0.860 nan 8.290 nan 0.000 0.551 137 E N -0.167 120.042 120.200 0.015 0.000 2.274 137 E HA -0.036 4.322 4.350 0.013 0.000 0.194 137 E C 2.280 178.840 176.600 -0.066 0.000 0.996 137 E CA 1.300 57.655 56.400 -0.075 0.000 0.840 137 E CB -0.061 29.537 29.700 -0.170 0.000 0.772 137 E HN 0.642 nan 8.360 nan 0.000 0.491 138 Y N 0.533 120.913 120.300 0.133 0.000 2.293 138 Y HA -0.138 4.420 4.550 0.013 0.000 0.291 138 Y C 2.457 178.454 175.900 0.162 0.000 1.137 138 Y CA 0.867 59.086 58.100 0.198 0.000 1.202 138 Y CB -0.400 38.202 38.460 0.238 0.000 0.990 138 Y HN 0.035 nan 8.280 nan 0.000 0.537 139 A N -0.324 122.635 122.820 0.232 0.000 1.933 139 A HA -0.183 4.145 4.320 0.013 0.000 0.218 139 A C 2.240 179.874 177.584 0.082 0.000 1.175 139 A CA 2.270 54.384 52.037 0.129 0.000 0.628 139 A CB -1.109 17.937 19.000 0.076 0.000 0.814 139 A HN 0.403 nan 8.150 nan 0.000 0.444 140 T N -0.306 114.281 114.554 0.056 0.000 2.812 140 T HA -0.058 4.300 4.350 0.013 0.000 0.264 140 T C 1.744 176.431 174.700 -0.020 0.000 1.042 140 T CA 1.300 63.407 62.100 0.011 0.000 1.140 140 T CB -0.140 68.726 68.868 -0.004 0.000 0.870 140 T HN 0.514 nan 8.240 nan 0.000 0.445 141 E N 0.626 120.807 120.200 -0.031 0.000 2.216 141 E HA -0.024 4.334 4.350 0.013 0.000 0.192 141 E C 0.341 176.717 176.600 -0.374 0.000 0.988 141 E CA 0.786 57.084 56.400 -0.170 0.000 0.834 141 E CB 0.121 29.732 29.700 -0.149 0.000 0.772 141 E HN 0.561 nan 8.360 nan 0.000 0.479 142 H N 0.026 119.146 119.070 0.084 0.000 2.379 142 H HA 0.159 4.722 4.556 0.013 0.000 0.229 142 H C -1.829 173.543 175.328 0.072 0.000 1.423 142 H CA -1.441 54.664 56.048 0.094 0.000 1.375 142 H CB 1.088 30.950 29.762 0.168 0.000 1.592 142 H HN 0.041 nan 8.280 nan 0.000 0.507 143 P HA -0.155 nan 4.420 nan 0.000 0.223 143 P C 1.542 178.871 177.300 0.048 0.000 1.151 143 P CA 0.870 64.003 63.100 0.054 0.000 0.787 143 P CB 0.413 32.124 31.700 0.018 0.000 0.788 144 E N 1.497 121.738 120.200 0.068 0.000 2.267 144 E HA -0.217 4.141 4.350 0.013 0.000 0.197 144 E C 1.154 177.780 176.600 0.043 0.000 0.998 144 E CA 1.260 57.692 56.400 0.054 0.000 0.830 144 E CB -1.022 28.716 29.700 0.063 0.000 0.751 144 E HN 0.393 nan 8.360 nan 0.000 0.491 145 E N 0.456 120.695 120.200 0.066 0.000 2.502 145 E HA 0.137 4.495 4.350 0.013 0.000 0.194 145 E C 1.631 178.183 176.600 -0.080 0.000 1.062 145 E CA 0.405 56.807 56.400 0.004 0.000 0.867 145 E CB 0.110 29.843 29.700 0.054 0.000 0.888 145 E HN 0.410 nan 8.360 nan 0.000 0.510 146 A N 1.261 124.044 122.820 -0.061 0.000 2.168 146 A HA -0.068 4.260 4.320 0.013 0.000 0.215 146 A C 0.470 177.965 177.584 -0.149 0.000 1.152 146 A CA 0.711 52.684 52.037 -0.108 0.000 0.716 146 A CB -0.060 18.897 19.000 -0.071 0.000 0.794 146 A HN 0.120 nan 8.150 nan 0.000 0.465 147 N N -0.748 117.876 118.700 -0.127 0.000 2.725 147 N HA 0.309 5.057 4.740 0.013 0.000 0.248 147 N C 0.166 175.595 175.510 -0.136 0.000 1.402 147 N CA -0.356 52.612 53.050 -0.137 0.000 0.766 147 N CB 1.228 39.674 38.487 -0.068 0.000 1.223 147 N HN 0.135 nan 8.380 nan 0.000 0.515 148 L N 0.198 121.266 121.223 -0.258 0.000 2.046 148 L HA 0.080 4.428 4.340 0.013 0.000 0.208 148 L C 1.253 178.090 176.870 -0.055 0.000 1.077 148 L CA 1.786 56.474 54.840 -0.254 0.000 0.747 148 L CB -0.266 41.514 42.059 -0.466 0.000 0.896 148 L HN 0.596 nan 8.230 nan 0.000 0.432 149 W N -0.423 120.839 121.300 -0.063 0.000 2.358 149 W HA -0.215 4.452 4.660 0.013 0.000 0.303 149 W C 2.362 178.844 176.519 -0.061 0.000 1.208 149 W CA 0.304 57.601 57.345 -0.079 0.000 1.274 149 W CB -0.548 28.875 29.460 -0.062 0.000 1.138 149 W HN 0.231 nan 8.180 nan 0.000 0.515 150 N N 0.733 119.538 118.700 0.176 0.000 2.104 150 N HA -0.172 4.576 4.740 0.013 0.000 0.190 150 N C 1.598 177.151 175.510 0.071 0.000 1.024 150 N CA 1.355 54.460 53.050 0.092 0.000 0.853 150 N CB -1.053 37.465 38.487 0.052 0.000 1.008 150 N HN 0.091 nan 8.380 nan 0.000 0.424 151 L N 1.097 122.358 121.223 0.064 0.000 2.046 151 L HA -0.027 4.321 4.340 0.013 0.000 0.208 151 L C 1.937 178.869 176.870 0.104 0.000 1.077 151 L CA 1.321 56.205 54.840 0.074 0.000 0.747 151 L CB -0.568 41.536 42.059 0.076 0.000 0.896 151 L HN 0.129 nan 8.230 nan 0.000 0.432 152 L N -0.872 120.422 121.223 0.119 0.000 2.141 152 L HA -0.147 4.201 4.340 0.013 0.000 0.209 152 L C 2.648 179.554 176.870 0.060 0.000 1.094 152 L CA 0.982 55.891 54.840 0.115 0.000 0.763 152 L CB -0.915 41.209 42.059 0.109 0.000 0.908 152 L HN 0.382 nan 8.230 nan 0.000 0.437 153 A N 0.257 123.103 122.820 0.044 0.000 1.877 153 A HA -0.221 4.107 4.320 0.013 0.000 0.216 153 A C 2.151 179.749 177.584 0.023 0.000 1.186 153 A CA 1.693 53.736 52.037 0.010 0.000 0.620 153 A CB -0.399 18.604 19.000 0.005 0.000 0.822 153 A HN 0.438 nan 8.150 nan 0.000 0.443 154 E N -0.542 119.681 120.200 0.038 0.000 2.072 154 E HA -0.140 4.218 4.350 0.013 0.000 0.191 154 E C 2.130 178.759 176.600 0.048 0.000 0.985 154 E CA 1.037 57.459 56.400 0.037 0.000 0.801 154 E CB -0.145 29.578 29.700 0.037 0.000 0.750 154 E HN 0.496 nan 8.360 nan 0.000 0.452 155 R N 0.307 120.846 120.500 0.066 0.000 2.307 155 R HA 0.109 4.457 4.340 0.013 0.000 0.199 155 R C 2.127 178.478 176.300 0.086 0.000 1.000 155 R CA 0.437 56.589 56.100 0.086 0.000 1.023 155 R CB 0.005 30.373 30.300 0.113 0.000 0.908 155 R HN 0.092 nan 8.270 nan 0.000 0.473 156 A N 2.454 125.308 122.820 0.056 0.000 1.917 156 A HA -0.126 4.202 4.320 0.013 0.000 0.219 156 A C -0.472 177.143 177.584 0.052 0.000 1.182 156 A CA 1.265 53.326 52.037 0.040 0.000 0.633 156 A CB -1.198 17.803 19.000 0.003 0.000 0.819 156 A HN 0.157 nan 8.150 nan 0.000 0.448 157 P HA -0.179 nan 4.420 nan 0.000 0.216 157 P C 1.383 178.729 177.300 0.077 0.000 1.153 157 P CA 1.530 64.662 63.100 0.053 0.000 0.848 157 P CB -0.183 31.544 31.700 0.045 0.000 0.787 158 E N 0.105 120.363 120.200 0.096 0.000 2.106 158 E HA -0.123 4.235 4.350 0.013 0.000 0.192 158 E C 1.925 178.624 176.600 0.164 0.000 0.984 158 E CA 0.944 57.420 56.400 0.126 0.000 0.806 158 E CB -1.231 28.554 29.700 0.142 0.000 0.750 158 E HN 0.211 nan 8.360 nan 0.000 0.458 159 L N 1.056 122.385 121.223 0.176 0.000 2.046 159 L HA -0.142 4.206 4.340 0.013 0.000 0.208 159 L C 2.841 179.845 176.870 0.224 0.000 1.077 159 L CA 1.217 56.205 54.840 0.248 0.000 0.747 159 L CB -0.582 41.572 42.059 0.157 0.000 0.896 159 L HN 0.243 nan 8.230 nan 0.000 0.432 160 A N -0.166 122.728 122.820 0.123 0.000 1.933 160 A HA -0.254 4.074 4.320 0.013 0.000 0.218 160 A C 2.245 179.853 177.584 0.039 0.000 1.175 160 A CA 1.805 53.884 52.037 0.070 0.000 0.628 160 A CB -0.484 18.541 19.000 0.042 0.000 0.814 160 A HN 0.463 nan 8.150 nan 0.000 0.444 161 E N -0.254 119.981 120.200 0.059 0.000 2.150 161 E HA -0.063 4.295 4.350 0.013 0.000 0.193 161 E C 1.922 178.536 176.600 0.023 0.000 0.985 161 E CA 0.853 57.283 56.400 0.051 0.000 0.814 161 E CB -0.202 29.543 29.700 0.076 0.000 0.752 161 E HN 0.561 nan 8.360 nan 0.000 0.466 162 A N -0.239 122.596 122.820 0.026 0.000 2.066 162 A HA 0.152 4.480 4.320 0.013 0.000 0.218 162 A C 1.824 179.256 177.584 -0.253 0.000 1.157 162 A CA 1.198 53.204 52.037 -0.052 0.000 0.670 162 A CB -0.222 18.794 19.000 0.028 0.000 0.804 162 A HN 0.480 nan 8.150 nan 0.000 0.453 163 G N -2.671 105.981 108.800 -0.247 0.000 2.183 163 G HA2 -0.144 3.824 3.960 0.013 0.000 0.168 163 G HA3 -0.144 3.824 3.960 0.013 0.000 0.168 163 G C -0.019 174.693 174.900 -0.314 0.000 1.008 163 G CA -0.275 44.642 45.100 -0.304 0.000 0.677 163 G HN 0.271 nan 8.290 nan 0.000 0.498 164 F N 1.631 121.534 119.950 -0.079 0.000 2.484 164 F HA 0.446 4.981 4.527 0.013 0.000 0.360 164 F C 1.894 177.644 175.800 -0.083 0.000 1.101 164 F CA 1.065 59.018 58.000 -0.079 0.000 1.251 164 F CB 1.513 40.456 39.000 -0.095 0.000 1.132 164 F HN 0.090 nan 8.300 nan 0.000 0.570 165 T N -0.686 113.922 114.554 0.090 0.000 3.010 165 T HA 0.655 5.013 4.350 0.013 0.000 0.257 165 T C 0.078 174.690 174.700 -0.146 0.000 1.020 165 T CA 0.153 62.225 62.100 -0.046 0.000 0.938 165 T CB 0.197 69.000 68.868 -0.108 0.000 1.049 165 T HN 0.669 nan 8.240 nan 0.000 0.522 166 A N 1.033 123.775 122.820 -0.130 0.000 2.594 166 A HA 0.741 5.069 4.320 0.013 0.000 0.295 166 A C -1.054 176.385 177.584 -0.243 0.000 1.071 166 A CA -0.685 51.137 52.037 -0.358 0.000 0.685 166 A CB 1.673 20.303 19.000 -0.617 0.000 1.285 166 A HN 0.971 nan 8.150 nan 0.000 0.405 167 V N -1.816 117.907 119.914 -0.318 0.000 2.604 167 V HA 0.850 4.978 4.120 0.013 0.000 0.305 167 V C -0.900 175.203 176.094 0.016 0.000 1.043 167 V CA -0.702 61.523 62.300 -0.125 0.000 0.888 167 V CB 1.566 33.324 31.823 -0.107 0.000 0.995 167 V HN 1.400 nan 8.190 nan 0.000 0.429 168 W N 6.650 127.980 121.300 0.050 0.000 2.314 168 W HA 0.734 5.402 4.660 0.013 0.000 0.310 168 W C -1.196 175.451 176.519 0.213 0.000 1.075 168 W CA -1.929 55.553 57.345 0.227 0.000 1.253 168 W CB 0.611 30.293 29.460 0.370 0.000 1.238 168 W HN 0.722 nan 8.180 nan 0.000 0.440 169 L N 9.110 130.546 121.223 0.355 0.000 2.399 169 L HA 0.411 4.759 4.340 0.013 0.000 0.266 169 L C -1.334 175.406 176.870 -0.217 0.000 1.114 169 L CA -2.071 52.793 54.840 0.039 0.000 0.804 169 L CB 0.760 42.811 42.059 -0.014 0.000 1.146 169 L HN 0.287 nan 8.230 nan 0.000 0.451 170 P HA 0.143 nan 4.420 nan 0.000 0.272 170 P C -2.618 174.242 177.300 -0.734 0.000 1.240 170 P CA -1.574 60.615 63.100 -1.518 0.000 0.791 170 P CB -0.521 29.944 31.700 -2.058 0.000 0.978 171 P HA -0.027 nan 4.420 nan 0.000 0.262 171 P C 0.237 177.386 177.300 -0.251 0.000 1.182 171 P CA 0.734 63.565 63.100 -0.449 0.000 0.761 171 P CB -0.087 31.376 31.700 -0.395 0.000 0.795 172 A N 3.275 125.913 122.820 -0.303 0.000 2.348 172 A HA 0.056 4.384 4.320 0.013 0.000 0.224 172 A C 0.859 178.649 177.584 0.343 0.000 1.227 172 A CA -0.054 52.077 52.037 0.155 0.000 0.885 172 A CB -0.549 18.448 19.000 -0.005 0.000 0.933 172 A HN 0.639 nan 8.150 nan 0.000 0.506 173 N N -0.310 118.600 118.700 0.350 0.000 2.458 173 N HA 0.251 4.999 4.740 0.013 0.000 0.271 173 N C -0.441 175.215 175.510 0.243 0.000 1.210 173 N CA -0.580 52.684 53.050 0.358 0.000 0.978 173 N CB 0.663 39.376 38.487 0.377 0.000 1.206 173 N HN -0.115 nan 8.380 nan 0.000 0.536 174 K N -0.365 120.196 120.400 0.268 0.000 2.368 174 K HA 0.322 4.650 4.320 0.013 0.000 0.282 174 K C -0.064 176.685 176.600 0.247 0.000 1.035 174 K CA -0.066 56.372 56.287 0.252 0.000 0.973 174 K CB 0.270 32.986 32.500 0.359 0.000 0.957 174 K HN 0.714 nan 8.250 nan 0.000 0.474 175 G N 2.856 111.748 108.800 0.153 0.000 2.509 175 G HA2 0.379 4.347 3.960 0.013 0.000 0.328 175 G HA3 0.379 4.347 3.960 0.013 0.000 0.328 175 G C 0.624 175.580 174.900 0.093 0.000 1.194 175 G CA -0.578 44.606 45.100 0.140 0.000 0.967 175 G HN 0.788 nan 8.290 nan 0.000 0.488 176 M N 0.062 119.722 119.600 0.100 0.000 2.213 176 M HA 0.134 4.622 4.480 0.013 0.000 0.263 176 M C 1.889 178.158 176.300 -0.052 0.000 1.062 176 M CA 2.404 57.708 55.300 0.007 0.000 1.105 176 M CB -0.056 32.568 32.600 0.039 0.000 1.385 176 M HN 0.379 nan 8.290 nan 0.000 0.417 177 A N 0.226 123.034 122.820 -0.020 0.000 2.337 177 A HA 0.590 4.918 4.320 0.013 0.000 0.227 177 A C 1.580 179.145 177.584 -0.032 0.000 1.259 177 A CA 0.337 52.364 52.037 -0.018 0.000 0.870 177 A CB -1.391 17.616 19.000 0.011 0.000 0.927 177 A HN 0.896 nan 8.150 nan 0.000 0.497 178 G N 0.380 109.139 108.800 -0.067 0.000 2.591 178 G HA2 -0.375 3.593 3.960 0.013 0.000 0.298 178 G HA3 -0.375 3.593 3.960 0.013 0.000 0.298 178 G C 1.064 175.855 174.900 -0.180 0.000 1.195 178 G CA 0.413 45.453 45.100 -0.100 0.000 0.989 178 G HN 0.747 nan 8.290 nan 0.000 0.551 179 I N 1.446 121.845 120.570 -0.285 0.000 2.756 179 I HA -0.066 4.112 4.170 0.013 0.000 0.262 179 I C 2.048 177.835 176.117 -0.549 0.000 1.225 179 I CA 1.493 62.533 61.300 -0.433 0.000 1.472 179 I CB -0.171 37.551 38.000 -0.464 0.000 1.094 179 I HN 0.525 nan 8.210 nan 0.000 0.454 180 H N -0.570 118.376 119.070 -0.207 0.000 2.553 180 H HA 0.143 4.707 4.556 0.013 0.000 0.265 180 H C 0.281 175.455 175.328 -0.257 0.000 0.964 180 H CA 0.015 55.929 56.048 -0.222 0.000 1.156 180 H CB -0.160 29.511 29.762 -0.153 0.000 1.411 180 H HN 0.266 nan 8.280 nan 0.000 0.558 181 D N 1.153 121.456 120.400 -0.163 0.000 2.383 181 D HA -0.008 4.640 4.640 0.013 0.000 0.252 181 D C 1.337 177.456 176.300 -0.302 0.000 1.166 181 D CA -0.039 53.864 54.000 -0.162 0.000 0.879 181 D CB 2.121 42.869 40.800 -0.085 0.000 1.164 181 D HN -0.098 nan 8.370 nan 0.000 0.462 182 V N 3.419 123.129 119.914 -0.341 0.000 2.594 182 V HA -0.037 4.091 4.120 0.013 0.000 0.253 182 V C 1.805 177.760 176.094 -0.231 0.000 1.069 182 V CA 1.868 63.941 62.300 -0.379 0.000 1.082 182 V CB -0.247 31.164 31.823 -0.686 0.000 0.680 182 V HN 0.942 nan 8.190 nan 0.000 0.469 183 G N -2.249 106.438 108.800 -0.188 0.000 2.485 183 G HA2 -0.204 3.764 3.960 0.013 0.000 0.181 183 G HA3 -0.204 3.764 3.960 0.013 0.000 0.181 183 G C 0.443 175.186 174.900 -0.260 0.000 0.999 183 G CA 0.068 45.018 45.100 -0.249 0.000 0.721 183 G HN 0.431 nan 8.290 nan 0.000 0.486 184 Y N 1.345 121.753 120.300 0.179 0.000 2.490 184 Y HA 0.371 4.929 4.550 0.014 0.000 0.281 184 Y C 2.260 178.350 175.900 0.316 0.000 1.174 184 Y CA 0.611 58.873 58.100 0.270 0.000 1.295 184 Y CB 0.706 39.394 38.460 0.380 0.000 1.062 184 Y HN 0.291 nan 8.280 nan 0.000 0.522 185 G N 0.666 109.659 108.800 0.322 0.000 3.717 185 G HA2 0.068 4.036 3.960 0.013 0.000 0.258 185 G HA3 0.068 4.036 3.960 0.013 0.000 0.258 185 G C -0.102 174.950 174.900 0.253 0.000 1.088 185 G CA -0.378 44.888 45.100 0.278 0.000 1.737 185 G HN 0.024 nan 8.290 nan 0.000 0.648 186 T N 0.729 115.430 114.554 0.245 0.000 2.822 186 T HA -0.074 4.284 4.350 0.013 0.000 0.288 186 T C 0.542 175.355 174.700 0.188 0.000 0.991 186 T CA 0.428 62.602 62.100 0.124 0.000 1.176 186 T CB 0.951 69.789 68.868 -0.050 0.000 0.951 186 T HN 0.470 nan 8.240 nan 0.000 0.526 187 Y N 2.629 122.992 120.300 0.104 0.000 2.333 187 Y HA 0.273 4.831 4.550 0.013 0.000 0.287 187 Y C 0.564 176.596 175.900 0.220 0.000 1.149 187 Y CA 0.128 58.364 58.100 0.228 0.000 1.193 187 Y CB 0.651 39.272 38.460 0.267 0.000 1.175 187 Y HN 0.528 nan 8.280 nan 0.000 0.518 188 D N 0.274 120.676 120.400 0.004 0.000 2.476 188 D HA 0.222 4.870 4.640 0.013 0.000 0.251 188 D C 0.484 176.708 176.300 -0.127 0.000 1.291 188 D CA -0.129 53.696 54.000 -0.293 0.000 0.939 188 D CB 0.913 41.543 40.800 -0.284 0.000 1.221 188 D HN 0.349 nan 8.370 nan 0.000 0.567 189 L N 2.084 123.115 121.223 -0.320 0.000 2.187 189 L HA -0.084 4.264 4.340 0.013 0.000 0.213 189 L C 1.240 178.066 176.870 -0.074 0.000 1.100 189 L CA 1.080 55.629 54.840 -0.484 0.000 0.765 189 L CB -0.102 41.069 42.059 -1.481 0.000 0.904 189 L HN 0.505 nan 8.230 nan 0.000 0.437 190 W N -0.925 120.369 121.300 -0.009 0.000 3.256 190 W HA 0.016 4.685 4.660 0.014 0.000 0.269 190 W C 0.620 177.372 176.519 0.388 0.000 1.310 190 W CA -0.467 56.956 57.345 0.130 0.000 1.673 190 W CB 0.116 29.524 29.460 -0.087 0.000 1.115 190 W HN -0.046 nan 8.180 nan 0.000 0.686 191 D N 0.920 121.653 120.400 0.555 0.000 2.472 191 D HA 0.166 4.814 4.640 0.013 0.000 0.234 191 D C -0.053 176.550 176.300 0.505 0.000 1.088 191 D CA -0.160 54.232 54.000 0.652 0.000 0.882 191 D CB 0.532 41.685 40.800 0.589 0.000 1.037 191 D HN 0.044 nan 8.370 nan 0.000 0.520 192 L N 3.156 124.675 121.223 0.492 0.000 2.888 192 L HA 0.359 4.707 4.340 0.013 0.000 0.237 192 L C 1.249 178.302 176.870 0.305 0.000 1.288 192 L CA -0.234 54.847 54.840 0.401 0.000 1.110 192 L CB -0.166 42.121 42.059 0.380 0.000 1.441 192 L HN 0.688 nan 8.230 nan 0.000 0.474 193 G N 0.764 109.722 108.800 0.264 0.000 2.203 193 G HA2 -0.260 3.708 3.960 0.013 0.000 0.231 193 G HA3 -0.260 3.708 3.960 0.013 0.000 0.231 193 G C 0.385 175.331 174.900 0.077 0.000 1.058 193 G CA 0.448 45.655 45.100 0.179 0.000 0.781 193 G HN 0.576 nan 8.290 nan 0.000 0.496 194 E N -1.415 118.768 120.200 -0.028 0.000 2.421 194 E HA 0.409 4.767 4.350 0.013 0.000 0.209 194 E C 0.191 176.464 176.600 -0.545 0.000 0.871 194 E CA -0.241 55.944 56.400 -0.358 0.000 1.064 194 E CB 0.455 29.779 29.700 -0.626 0.000 1.075 194 E HN 0.426 nan 8.360 nan 0.000 0.513 195 F N 0.856 120.926 119.950 0.201 0.000 2.546 195 F HA 0.281 4.816 4.527 0.013 0.000 0.320 195 F C -0.072 175.819 175.800 0.153 0.000 1.076 195 F CA -1.351 56.755 58.000 0.177 0.000 0.928 195 F CB 1.317 40.444 39.000 0.211 0.000 1.189 195 F HN -0.225 nan 8.300 nan 0.000 0.465 196 D N 3.019 123.604 120.400 0.308 0.000 2.383 196 D HA 0.151 4.799 4.640 0.013 0.000 0.245 196 D C -0.883 175.538 176.300 0.203 0.000 1.263 196 D CA 0.376 54.493 54.000 0.194 0.000 0.936 196 D CB 0.103 40.987 40.800 0.141 0.000 1.053 196 D HN 0.512 nan 8.370 nan 0.000 0.507 197 Q N 2.743 122.656 119.800 0.188 0.000 2.309 197 Q HA 0.245 4.593 4.340 0.013 0.000 0.273 197 Q C -0.158 175.863 176.000 0.034 0.000 1.040 197 Q CA -0.967 54.936 55.803 0.168 0.000 0.834 197 Q CB 2.088 31.046 28.738 0.367 0.000 1.345 197 Q HN 0.160 nan 8.270 nan 0.000 0.414 198 K N 0.170 120.515 120.400 -0.091 0.000 3.129 198 K HA -0.242 4.086 4.320 0.013 0.000 0.273 198 K C 0.516 177.071 176.600 -0.075 0.000 1.123 198 K CA 1.050 57.249 56.287 -0.147 0.000 0.800 198 K CB -1.858 30.516 32.500 -0.210 0.000 1.238 198 K HN 1.251 nan 8.250 nan 0.000 0.492 199 G N -1.208 107.569 108.800 -0.038 0.000 2.176 199 G HA2 -0.303 3.665 3.960 0.013 0.000 0.253 199 G HA3 -0.303 3.665 3.960 0.013 0.000 0.253 199 G C 0.099 174.982 174.900 -0.027 0.000 0.979 199 G CA 0.987 46.069 45.100 -0.029 0.000 0.641 199 G HN 0.810 nan 8.290 nan 0.000 0.530 200 T N -2.140 112.407 114.554 -0.012 0.000 2.885 200 T HA 0.528 4.886 4.350 0.013 0.000 0.322 200 T C 0.996 175.715 174.700 0.031 0.000 1.387 200 T CA 0.419 62.509 62.100 -0.016 0.000 1.041 200 T CB 1.737 70.563 68.868 -0.070 0.000 1.287 200 T HN 0.470 nan 8.240 nan 0.000 0.491 201 V N 3.077 123.008 119.914 0.029 0.000 2.326 201 V HA 0.188 4.316 4.120 0.013 0.000 0.238 201 V C 1.519 177.642 176.094 0.047 0.000 1.038 201 V CA 1.018 63.352 62.300 0.056 0.000 1.032 201 V CB -0.528 31.319 31.823 0.041 0.000 0.675 201 V HN 0.874 nan 8.190 nan 0.000 0.467 202 R N 1.845 122.352 120.500 0.011 0.000 2.784 202 R HA 0.175 4.523 4.340 0.013 0.000 0.266 202 R C 0.422 176.707 176.300 -0.024 0.000 1.044 202 R CA 0.473 56.575 56.100 0.004 0.000 1.151 202 R CB -0.198 30.078 30.300 -0.041 0.000 1.037 202 R HN 0.462 nan 8.270 nan 0.000 0.478 203 T N -1.726 112.820 114.554 -0.013 0.000 2.771 203 T HA 0.084 4.442 4.350 0.013 0.000 0.290 203 T C 1.146 175.647 174.700 -0.332 0.000 1.005 203 T CA -0.488 61.545 62.100 -0.112 0.000 0.944 203 T CB 0.773 69.640 68.868 -0.002 0.000 1.147 203 T HN 0.779 nan 8.240 nan 0.000 0.534 204 K N -0.589 119.465 120.400 -0.577 0.000 2.160 204 K HA -0.181 4.147 4.320 0.013 0.000 0.206 204 K C 1.655 177.695 176.600 -0.933 0.000 1.047 204 K CA 1.695 57.470 56.287 -0.853 0.000 0.930 204 K CB -0.372 31.402 32.500 -1.211 0.000 0.720 204 K HN 0.769 nan 8.250 nan 0.000 0.450 205 Y N -0.924 119.003 120.300 -0.623 0.000 2.503 205 Y HA 0.238 4.796 4.550 0.013 0.000 0.278 205 Y C 1.171 176.430 175.900 -1.069 0.000 1.111 205 Y CA -0.030 57.403 58.100 -1.111 0.000 1.270 205 Y CB 1.121 38.379 38.460 -2.004 0.000 1.063 205 Y HN 0.256 nan 8.280 nan 0.000 0.548 206 G N -0.209 108.312 108.800 -0.465 0.000 2.357 206 G HA2 0.167 4.135 3.960 0.013 0.000 0.289 206 G HA3 0.167 4.135 3.960 0.013 0.000 0.289 206 G C -0.831 174.179 174.900 0.183 0.000 1.302 206 G CA -0.627 44.412 45.100 -0.101 0.000 0.936 206 G HN 0.085 nan 8.290 nan 0.000 0.513 207 T N -1.610 113.077 114.554 0.222 0.000 2.847 207 T HA 0.511 4.869 4.350 0.013 0.000 0.279 207 T C 1.466 176.301 174.700 0.225 0.000 0.984 207 T CA 0.562 62.772 62.100 0.183 0.000 0.988 207 T CB 1.834 70.759 68.868 0.095 0.000 1.040 207 T HN 0.858 nan 8.240 nan 0.000 0.528 208 K N 0.664 121.146 120.400 0.138 0.000 2.063 208 K HA -0.082 4.246 4.320 0.013 0.000 0.208 208 K C 2.362 178.976 176.600 0.024 0.000 1.048 208 K CA 1.729 58.068 56.287 0.087 0.000 0.928 208 K CB -1.110 31.442 32.500 0.088 0.000 0.713 208 K HN 0.808 nan 8.250 nan 0.000 0.442 209 G N 0.725 109.546 108.800 0.034 0.000 2.422 209 G HA2 -0.256 3.712 3.960 0.013 0.000 0.218 209 G HA3 -0.256 3.712 3.960 0.013 0.000 0.218 209 G C 1.108 176.009 174.900 0.001 0.000 1.146 209 G CA 0.907 46.013 45.100 0.010 0.000 0.769 209 G HN 0.448 nan 8.290 nan 0.000 0.547 210 E N -0.366 119.870 120.200 0.061 0.000 2.110 210 E HA -0.093 4.265 4.350 0.013 0.000 0.193 210 E C 2.361 178.962 176.600 0.002 0.000 0.988 210 E CA 0.686 57.147 56.400 0.102 0.000 0.804 210 E CB -0.155 29.683 29.700 0.230 0.000 0.745 210 E HN 0.353 nan 8.360 nan 0.000 0.458 211 L N 1.687 122.804 121.223 -0.177 0.000 2.017 211 L HA -0.193 4.155 4.340 0.013 0.000 0.208 211 L C 1.855 178.460 176.870 -0.442 0.000 1.073 211 L CA 1.888 56.325 54.840 -0.673 0.000 0.745 211 L CB -0.260 41.336 42.059 -0.771 0.000 0.894 211 L HN 0.016 nan 8.230 nan 0.000 0.432 212 E N -0.620 119.416 120.200 -0.273 0.000 2.110 212 E HA -0.246 4.112 4.350 0.013 0.000 0.193 212 E C 2.010 178.478 176.600 -0.220 0.000 0.988 212 E CA 1.162 57.411 56.400 -0.251 0.000 0.804 212 E CB -0.396 29.211 29.700 -0.155 0.000 0.745 212 E HN 0.642 nan 8.360 nan 0.000 0.458 213 N N 0.838 119.448 118.700 -0.151 0.000 2.084 213 N HA -0.189 4.559 4.740 0.013 0.000 0.190 213 N C 1.944 177.365 175.510 -0.148 0.000 1.030 213 N CA 1.317 54.300 53.050 -0.112 0.000 0.849 213 N CB -0.020 38.436 38.487 -0.051 0.000 1.012 213 N HN 0.106 nan 8.380 nan 0.000 0.423 214 A N 1.536 124.253 122.820 -0.173 0.000 1.908 214 A HA -0.110 4.218 4.320 0.013 0.000 0.218 214 A C 2.302 179.693 177.584 -0.322 0.000 1.181 214 A CA 1.078 52.999 52.037 -0.195 0.000 0.627 214 A CB -0.703 18.195 19.000 -0.171 0.000 0.818 214 A HN 0.382 nan 8.150 nan 0.000 0.445 215 I N -0.115 120.173 120.570 -0.470 0.000 2.163 215 I HA -0.263 3.915 4.170 0.013 0.000 0.243 215 I C 1.888 177.637 176.117 -0.613 0.000 1.085 215 I CA 1.645 62.535 61.300 -0.683 0.000 1.347 215 I CB -0.463 37.057 38.000 -0.800 0.000 1.044 215 I HN 0.248 nan 8.210 nan 0.000 0.408 216 D N 0.887 121.073 120.400 -0.356 0.000 2.144 216 D HA -0.123 4.525 4.640 0.013 0.000 0.199 216 D C 2.230 178.450 176.300 -0.133 0.000 0.984 216 D CA 1.495 55.380 54.000 -0.192 0.000 0.834 216 D CB -0.155 40.572 40.800 -0.121 0.000 0.955 216 D HN 0.360 nan 8.370 nan 0.000 0.465 217 A N 0.445 123.181 122.820 -0.140 0.000 1.898 217 A HA -0.078 4.250 4.320 0.013 0.000 0.216 217 A C 2.361 179.893 177.584 -0.086 0.000 1.181 217 A CA 0.754 52.740 52.037 -0.085 0.000 0.620 217 A CB -0.705 18.256 19.000 -0.066 0.000 0.819 217 A HN 0.180 nan 8.150 nan 0.000 0.442 218 L N -1.374 119.756 121.223 -0.156 0.000 2.017 218 L HA -0.221 4.127 4.340 0.013 0.000 0.208 218 L C 2.530 179.365 176.870 -0.058 0.000 1.073 218 L CA 1.758 56.515 54.840 -0.140 0.000 0.745 218 L CB -0.784 41.132 42.059 -0.238 0.000 0.894 218 L HN 0.532 nan 8.230 nan 0.000 0.432 219 H N -1.265 117.715 119.070 -0.150 0.000 2.422 219 H HA -0.186 4.378 4.556 0.013 0.000 0.298 219 H C 2.009 177.280 175.328 -0.095 0.000 1.098 219 H CA 1.112 57.080 56.048 -0.135 0.000 1.315 219 H CB 0.035 29.707 29.762 -0.149 0.000 1.382 219 H HN 0.321 nan 8.280 nan 0.000 0.523 220 N N 1.042 119.768 118.700 0.043 0.000 2.348 220 N HA -0.136 4.612 4.740 0.013 0.000 0.185 220 N C 0.429 175.941 175.510 0.003 0.000 1.019 220 N CA 1.134 54.189 53.050 0.009 0.000 0.880 220 N CB 0.007 38.490 38.487 -0.006 0.000 0.965 220 N HN 0.299 nan 8.380 nan 0.000 0.437 221 N N -0.071 118.631 118.700 0.003 0.000 2.234 221 N HA 0.106 4.854 4.740 0.013 0.000 0.227 221 N C -1.048 174.459 175.510 -0.004 0.000 1.151 221 N CA -0.134 52.917 53.050 0.002 0.000 0.865 221 N CB 0.679 39.170 38.487 0.006 0.000 1.066 221 N HN 0.017 nan 8.380 nan 0.000 0.515 222 D N 0.430 120.825 120.400 -0.009 0.000 2.800 222 D HA -0.173 4.475 4.640 0.013 0.000 0.232 222 D C -0.690 175.585 176.300 -0.042 0.000 1.137 222 D CA 0.836 54.817 54.000 -0.032 0.000 0.718 222 D CB -1.219 39.562 40.800 -0.033 0.000 1.084 222 D HN 0.407 nan 8.370 nan 0.000 0.432 223 I N 0.281 120.835 120.570 -0.027 0.000 2.378 223 I HA 0.167 4.345 4.170 0.013 0.000 0.291 223 I C 0.803 176.880 176.117 -0.068 0.000 0.992 223 I CA -0.899 60.361 61.300 -0.068 0.000 1.154 223 I CB 1.385 39.348 38.000 -0.062 0.000 1.315 223 I HN -0.358 nan 8.210 nan 0.000 0.448 224 K N 4.994 125.282 120.400 -0.188 0.000 2.126 224 K HA 0.546 4.874 4.320 0.013 0.000 0.257 224 K C -0.653 175.684 176.600 -0.438 0.000 1.007 224 K CA -0.531 55.603 56.287 -0.254 0.000 0.928 224 K CB 1.752 34.041 32.500 -0.352 0.000 1.013 224 K HN 0.283 nan 8.250 nan 0.000 0.473 225 V N 2.885 122.580 119.914 -0.365 0.000 2.483 225 V HA 0.290 4.418 4.120 0.013 0.000 0.297 225 V C -1.284 174.814 176.094 0.007 0.000 1.027 225 V CA -0.994 61.103 62.300 -0.339 0.000 0.855 225 V CB 0.954 32.467 31.823 -0.517 0.000 0.995 225 V HN 0.484 nan 8.190 nan 0.000 0.424 226 Y N 3.508 123.907 120.300 0.165 0.000 2.377 226 Y HA 0.611 5.169 4.550 0.013 0.000 0.339 226 Y C -0.341 175.728 175.900 0.282 0.000 1.011 226 Y CA -2.052 56.167 58.100 0.199 0.000 1.093 226 Y CB 1.541 40.079 38.460 0.131 0.000 1.201 226 Y HN 0.623 nan 8.280 nan 0.000 0.455 227 F N 2.734 122.706 119.950 0.037 0.000 2.404 227 F HA 0.298 4.833 4.527 0.014 0.000 0.339 227 F C 0.239 176.158 175.800 0.197 0.000 1.105 227 F CA -0.546 57.347 58.000 -0.178 0.000 1.087 227 F CB 0.804 39.281 39.000 -0.871 0.000 1.143 227 F HN 0.436 nan 8.300 nan 0.000 0.491 228 D N 5.237 125.711 120.400 0.123 0.000 2.468 228 D HA 0.275 4.923 4.640 0.013 0.000 0.218 228 D C -0.739 175.866 176.300 0.509 0.000 1.155 228 D CA 0.011 54.234 54.000 0.372 0.000 0.924 228 D CB 0.673 41.686 40.800 0.355 0.000 1.029 228 D HN 0.610 nan 8.370 nan 0.000 0.515 229 A N 3.412 126.646 122.820 0.690 0.000 2.320 229 A HA 0.446 4.774 4.320 0.013 0.000 0.287 229 A C -0.200 177.544 177.584 0.267 0.000 1.181 229 A CA -0.538 51.856 52.037 0.595 0.000 0.831 229 A CB 0.824 20.161 19.000 0.561 0.000 1.102 229 A HN 0.349 nan 8.150 nan 0.000 0.513 230 V N 5.279 125.268 119.914 0.125 0.000 2.284 230 V HA 0.174 4.302 4.120 0.013 0.000 0.274 230 V C 0.627 176.632 176.094 -0.148 0.000 1.023 230 V CA 0.010 62.334 62.300 0.040 0.000 0.808 230 V CB 0.593 32.459 31.823 0.073 0.000 1.035 230 V HN 0.912 nan 8.190 nan 0.000 0.445 231 L N 2.506 123.654 121.223 -0.124 0.000 2.554 231 L HA 0.158 4.506 4.340 0.013 0.000 0.225 231 L C 2.105 178.992 176.870 0.029 0.000 1.104 231 L CA 0.310 55.087 54.840 -0.105 0.000 0.866 231 L CB -0.183 41.761 42.059 -0.192 0.000 1.047 231 L HN 0.650 nan 8.230 nan 0.000 0.468 232 N N 0.280 118.949 118.700 -0.052 0.000 2.216 232 N HA -0.115 4.633 4.740 0.013 0.000 0.183 232 N C 0.562 176.118 175.510 0.076 0.000 1.017 232 N CA 0.924 54.021 53.050 0.079 0.000 0.861 232 N CB 0.259 38.816 38.487 0.117 0.000 0.986 232 N HN 0.464 nan 8.380 nan 0.000 0.428 233 H N -3.116 115.993 119.070 0.065 0.000 2.990 233 H HA 0.579 5.143 4.556 0.013 0.000 0.343 233 H C -0.943 174.373 175.328 -0.019 0.000 1.270 233 H CA -1.068 55.007 56.048 0.045 0.000 1.118 233 H CB 0.900 30.667 29.762 0.007 0.000 1.861 233 H HN -0.176 nan 8.280 nan 0.000 0.544 234 R N 1.054 121.643 120.500 0.150 0.000 2.744 234 R HA 0.564 4.912 4.340 0.013 0.000 0.279 234 R C -0.728 175.706 176.300 0.224 0.000 0.977 234 R CA -0.844 55.255 56.100 -0.002 0.000 0.906 234 R CB 2.600 32.539 30.300 -0.602 0.000 1.197 234 R HN 0.744 nan 8.270 nan 0.000 0.463 235 M N -0.662 119.147 119.600 0.349 0.000 2.631 235 M HA 0.438 4.926 4.480 0.013 0.000 0.288 235 M C 0.292 176.846 176.300 0.424 0.000 1.260 235 M CA -0.469 55.027 55.300 0.327 0.000 0.842 235 M CB 2.541 35.244 32.600 0.172 0.000 1.743 235 M HN 0.759 nan 8.290 nan 0.000 0.461 236 G N 1.078 109.971 108.800 0.155 0.000 2.212 236 G HA2 -0.025 3.943 3.960 0.013 0.000 0.255 236 G HA3 -0.025 3.943 3.960 0.013 0.000 0.255 236 G C 0.027 174.886 174.900 -0.067 0.000 1.062 236 G CA 0.012 45.108 45.100 -0.007 0.000 0.815 236 G HN 1.157 nan 8.290 nan 0.000 0.497 237 A N -0.310 122.308 122.820 -0.336 0.000 2.555 237 A HA 0.429 4.757 4.320 0.013 0.000 0.233 237 A C 1.426 178.831 177.584 -0.299 0.000 1.060 237 A CA 0.954 52.441 52.037 -0.917 0.000 0.759 237 A CB 0.335 18.925 19.000 -0.682 0.000 0.995 237 A HN 0.351 nan 8.150 nan 0.000 0.506 238 D N -0.604 119.605 120.400 -0.317 0.000 2.183 238 D HA 0.040 4.688 4.640 0.013 0.000 0.203 238 D C 0.173 176.613 176.300 0.234 0.000 0.969 238 D CA 2.174 56.195 54.000 0.034 0.000 0.842 238 D CB -0.062 40.803 40.800 0.107 0.000 0.957 238 D HN 0.718 nan 8.370 nan 0.000 0.484 239 Y N -1.767 118.555 120.300 0.036 0.000 2.638 239 Y HA 0.641 5.199 4.550 0.014 0.000 0.335 239 Y C -1.335 174.441 175.900 -0.207 0.000 1.155 239 Y CA -1.751 56.347 58.100 -0.003 0.000 1.046 239 Y CB 0.987 39.408 38.460 -0.066 0.000 1.303 239 Y HN -0.153 nan 8.280 nan 0.000 0.460 240 A N 1.317 123.863 122.820 -0.457 0.000 2.306 240 A HA 0.777 5.105 4.320 0.013 0.000 0.330 240 A C -0.889 176.509 177.584 -0.311 0.000 1.146 240 A CA -0.769 50.808 52.037 -0.767 0.000 0.827 240 A CB 0.998 19.127 19.000 -1.452 0.000 1.178 240 A HN 0.805 nan 8.150 nan 0.000 0.490 241 E N -0.117 119.889 120.200 -0.323 0.000 2.312 241 E HA 0.446 4.804 4.350 0.013 0.000 0.267 241 E C -1.162 175.285 176.600 -0.256 0.000 0.894 241 E CA -0.779 55.509 56.400 -0.186 0.000 0.773 241 E CB 2.102 31.737 29.700 -0.109 0.000 1.241 241 E HN 0.568 nan 8.360 nan 0.000 0.432 242 T N 1.460 115.910 114.554 -0.173 0.000 2.794 242 T HA 0.333 4.691 4.350 0.013 0.000 0.296 242 T C -0.440 174.221 174.700 -0.066 0.000 0.949 242 T CA -0.379 61.648 62.100 -0.122 0.000 1.101 242 T CB 0.415 69.244 68.868 -0.064 0.000 0.905 242 T HN 0.096 nan 8.240 nan 0.000 0.516 243 V N 4.547 124.426 119.914 -0.057 0.000 2.577 243 V HA 0.377 4.505 4.120 0.013 0.000 0.303 243 V C -0.379 175.688 176.094 -0.046 0.000 1.042 243 V CA -1.081 61.123 62.300 -0.159 0.000 0.872 243 V CB 1.950 33.397 31.823 -0.626 0.000 0.998 243 V HN 0.688 nan 8.190 nan 0.000 0.423 244 L N 5.651 126.809 121.223 -0.109 0.000 2.367 244 L HA 0.449 4.797 4.340 0.013 0.000 0.275 244 L C -0.291 176.474 176.870 -0.175 0.000 1.129 244 L CA 0.491 55.098 54.840 -0.389 0.000 0.839 244 L CB 0.521 42.295 42.059 -0.476 0.000 1.133 244 L HN 0.521 nan 8.230 nan 0.000 0.453 245 L N 3.742 124.879 121.223 -0.144 0.000 2.375 245 L HA 0.283 4.631 4.340 0.013 0.000 0.271 245 L C 0.203 177.048 176.870 -0.042 0.000 1.107 245 L CA -0.713 54.123 54.840 -0.007 0.000 0.806 245 L CB 1.041 43.116 42.059 0.027 0.000 1.146 245 L HN 0.635 nan 8.230 nan 0.000 0.447 246 D N 0.848 121.242 120.400 -0.010 0.000 2.400 246 D HA -0.068 4.580 4.640 0.013 0.000 0.238 246 D C 1.012 177.300 176.300 -0.020 0.000 1.157 246 D CA -0.010 53.973 54.000 -0.029 0.000 0.889 246 D CB 0.908 41.679 40.800 -0.047 0.000 1.199 246 D HN 0.433 nan 8.370 nan 0.000 0.436 247 E N 1.543 121.731 120.200 -0.021 0.000 2.333 247 E HA -0.147 4.211 4.350 0.013 0.000 0.198 247 E C 0.779 177.385 176.600 0.011 0.000 1.007 247 E CA 0.753 57.149 56.400 -0.007 0.000 0.845 247 E CB -0.241 29.454 29.700 -0.007 0.000 0.766 247 E HN 0.538 nan 8.360 nan 0.000 0.507 248 N N 0.459 119.164 118.700 0.009 0.000 2.461 248 N HA -0.032 4.716 4.740 0.013 0.000 0.188 248 N C 0.477 176.015 175.510 0.046 0.000 1.134 248 N CA -0.250 52.817 53.050 0.029 0.000 0.878 248 N CB 0.303 38.800 38.487 0.018 0.000 0.972 248 N HN -0.134 nan 8.380 nan 0.000 0.456 249 S N 0.964 116.688 115.700 0.040 0.000 2.549 249 S HA 0.042 4.520 4.470 0.013 0.000 0.286 249 S C 1.378 176.041 174.600 0.104 0.000 1.314 249 S CA -0.394 57.854 58.200 0.080 0.000 1.062 249 S CB 1.067 64.326 63.200 0.098 0.000 0.865 249 S HN 0.250 nan 8.310 nan 0.000 0.498 250 R N 2.319 122.896 120.500 0.128 0.000 2.081 250 R HA -0.050 4.298 4.340 0.013 0.000 0.235 250 R C -0.455 175.888 176.300 0.071 0.000 1.131 250 R CA 1.328 57.483 56.100 0.093 0.000 0.960 250 R CB 0.019 30.365 30.300 0.077 0.000 0.856 250 R HN 0.639 nan 8.270 nan 0.000 0.436 251 D N -0.029 120.425 120.400 0.090 0.000 2.350 251 D HA 0.181 4.829 4.640 0.013 0.000 0.245 251 D C -0.511 175.937 176.300 0.247 0.000 1.036 251 D CA -0.441 53.634 54.000 0.125 0.000 0.848 251 D CB 1.701 42.511 40.800 0.016 0.000 1.307 251 D HN -0.043 nan 8.370 nan 0.000 0.469 252 K N -0.124 120.388 120.400 0.187 0.000 3.071 252 K HA -0.137 4.191 4.320 0.013 0.000 0.262 252 K C -2.343 174.301 176.600 0.073 0.000 0.977 252 K CA 0.154 56.516 56.287 0.124 0.000 0.721 252 K CB -1.283 31.279 32.500 0.105 0.000 1.293 252 K HN 0.344 nan 8.250 nan 0.000 0.475 253 P HA -0.041 nan 4.420 nan 0.000 0.268 253 P C 1.000 178.293 177.300 -0.013 0.000 1.204 253 P CA 1.445 64.563 63.100 0.029 0.000 0.768 253 P CB 1.067 32.786 31.700 0.032 0.000 0.842 254 G N 1.651 110.421 108.800 -0.050 0.000 2.168 254 G HA2 -0.244 3.724 3.960 0.013 0.000 0.263 254 G HA3 -0.244 3.724 3.960 0.013 0.000 0.263 254 G C 0.081 174.890 174.900 -0.151 0.000 0.977 254 G CA -0.053 44.988 45.100 -0.099 0.000 0.659 254 G HN 0.630 nan 8.290 nan 0.000 0.533 255 Q N -0.931 118.792 119.800 -0.129 0.000 2.214 255 Q HA 0.570 4.918 4.340 0.013 0.000 0.251 255 Q C -0.587 175.298 176.000 -0.192 0.000 0.936 255 Q CA -0.820 54.914 55.803 -0.115 0.000 0.894 255 Q CB 1.184 29.896 28.738 -0.043 0.000 1.252 255 Q HN 0.369 nan 8.270 nan 0.000 0.448 256 Y N 1.610 121.902 120.300 -0.014 0.000 2.335 256 Y HA 0.255 4.813 4.550 0.013 0.000 0.331 256 Y C 0.580 176.514 175.900 0.056 0.000 1.094 256 Y CA -0.342 57.766 58.100 0.013 0.000 1.253 256 Y CB 0.535 39.025 38.460 0.051 0.000 1.203 256 Y HN 0.452 nan 8.280 nan 0.000 0.508 257 I N -0.004 120.626 120.570 0.099 0.000 3.067 257 I HA 0.728 4.906 4.170 0.013 0.000 0.312 257 I C -1.089 174.816 176.117 -0.353 0.000 1.073 257 I CA -1.561 59.685 61.300 -0.090 0.000 1.016 257 I CB 2.086 39.892 38.000 -0.324 0.000 1.227 257 I HN 0.240 nan 8.210 nan 0.000 0.456 258 K N 2.815 122.765 120.400 -0.750 0.000 2.367 258 K HA 0.758 5.086 4.320 0.013 0.000 0.263 258 K C -1.134 175.150 176.600 -0.527 0.000 1.000 258 K CA -0.298 55.485 56.287 -0.840 0.000 0.891 258 K CB 1.149 32.881 32.500 -1.280 0.000 1.117 258 K HN 0.837 nan 8.250 nan 0.000 0.443 259 A N 3.876 126.449 122.820 -0.411 0.000 2.337 259 A HA 0.512 4.840 4.320 0.013 0.000 0.329 259 A C -1.281 176.124 177.584 -0.297 0.000 1.146 259 A CA -0.780 51.150 52.037 -0.179 0.000 0.800 259 A CB 0.381 19.389 19.000 0.014 0.000 1.220 259 A HN 0.830 nan 8.150 nan 0.000 0.472 260 W N 2.291 123.601 121.300 0.018 0.000 2.072 260 W HA 0.355 5.023 4.660 0.014 0.000 0.413 260 W C 0.829 177.262 176.519 -0.143 0.000 0.865 260 W CA 0.385 57.682 57.345 -0.082 0.000 1.579 260 W CB 0.687 30.123 29.460 -0.041 0.000 1.720 260 W HN 0.794 nan 8.180 nan 0.000 0.301 261 T N -1.629 112.889 114.554 -0.061 0.000 3.058 261 T HA 0.245 4.603 4.350 0.013 0.000 0.278 261 T C 0.722 175.482 174.700 0.099 0.000 0.974 261 T CA -0.282 61.858 62.100 0.065 0.000 0.893 261 T CB 0.358 69.331 68.868 0.175 0.000 1.138 261 T HN 0.205 nan 8.240 nan 0.000 0.529 262 G N 1.358 109.827 108.800 -0.551 0.000 2.404 262 G HA2 0.553 4.521 3.960 0.013 0.000 0.316 262 G HA3 0.553 4.521 3.960 0.013 0.000 0.316 262 G C -1.162 173.227 174.900 -0.851 0.000 1.074 262 G CA -0.489 43.848 45.100 -1.273 0.000 0.989 262 G HN 0.321 nan 8.290 nan 0.000 0.430 263 F N 1.979 121.729 119.950 -0.332 0.000 2.496 263 F HA 0.283 4.818 4.527 0.013 0.000 0.341 263 F C 0.505 175.957 175.800 -0.581 0.000 1.134 263 F CA -1.437 56.270 58.000 -0.488 0.000 0.968 263 F CB 2.164 40.744 39.000 -0.700 0.000 1.205 263 F HN 0.510 nan 8.300 nan 0.000 0.436 264 N N 1.080 119.579 118.700 -0.335 0.000 2.181 264 N HA 0.143 4.891 4.740 0.013 0.000 0.207 264 N C -0.148 175.331 175.510 -0.052 0.000 1.182 264 N CA -0.477 52.479 53.050 -0.156 0.000 0.893 264 N CB -0.361 38.165 38.487 0.066 0.000 1.032 264 N HN 0.416 nan 8.380 nan 0.000 0.513 265 F N 0.050 120.122 119.950 0.204 0.000 2.891 265 F HA -0.146 4.389 4.527 0.013 0.000 0.272 265 F C -1.384 174.487 175.800 0.118 0.000 1.004 265 F CA -0.141 57.961 58.000 0.170 0.000 0.938 265 F CB -1.552 37.490 39.000 0.071 0.000 0.939 265 F HN 0.133 nan 8.300 nan 0.000 0.833 266 P HA -0.134 nan 4.420 nan 0.000 0.218 266 P C 1.856 179.235 177.300 0.133 0.000 1.149 266 P CA 1.882 65.072 63.100 0.151 0.000 0.817 266 P CB 0.019 31.795 31.700 0.126 0.000 0.785 267 G N 0.474 109.386 108.800 0.187 0.000 2.432 267 G HA2 -0.254 3.714 3.960 0.013 0.000 0.219 267 G HA3 -0.254 3.714 3.960 0.013 0.000 0.219 267 G C 1.891 176.832 174.900 0.069 0.000 1.135 267 G CA 0.556 45.763 45.100 0.179 0.000 0.767 267 G HN 0.285 nan 8.290 nan 0.000 0.550 268 R N -0.143 120.288 120.500 -0.116 0.000 2.127 268 R HA -0.012 4.336 4.340 0.013 0.000 0.217 268 R C 1.137 177.184 176.300 -0.423 0.000 1.074 268 R CA 0.713 56.394 56.100 -0.699 0.000 0.991 268 R CB -0.111 29.747 30.300 -0.738 0.000 0.895 268 R HN 0.202 nan 8.270 nan 0.000 0.450 269 N N -0.579 118.036 118.700 -0.142 0.000 2.740 269 N HA -0.176 4.572 4.740 0.013 0.000 0.248 269 N C 0.182 175.622 175.510 -0.117 0.000 1.062 269 N CA 1.308 54.313 53.050 -0.075 0.000 0.704 269 N CB -1.416 37.046 38.487 -0.042 0.000 0.968 269 N HN 0.640 nan 8.380 nan 0.000 0.547 270 G N -1.034 107.684 108.800 -0.137 0.000 2.179 270 G HA2 -0.364 3.604 3.960 0.013 0.000 0.260 270 G HA3 -0.364 3.604 3.960 0.013 0.000 0.260 270 G C -0.105 174.646 174.900 -0.248 0.000 0.977 270 G CA 0.571 45.580 45.100 -0.152 0.000 0.641 270 G HN 0.816 nan 8.290 nan 0.000 0.533 271 E N -0.442 119.548 120.200 -0.350 0.000 2.414 271 E HA 0.389 4.747 4.350 0.013 0.000 0.263 271 E C 1.273 177.559 176.600 -0.523 0.000 1.000 271 E CA 0.312 56.426 56.400 -0.477 0.000 0.914 271 E CB 0.023 29.387 29.700 -0.560 0.000 0.948 271 E HN 0.628 nan 8.360 nan 0.000 0.444 272 Y N 0.477 120.605 120.300 -0.287 0.000 2.802 272 Y HA -0.398 4.160 4.550 0.013 0.000 0.485 272 Y C 0.546 175.915 175.900 -0.885 0.000 1.190 272 Y CA 1.057 58.822 58.100 -0.558 0.000 2.757 272 Y CB -1.323 36.711 38.460 -0.712 0.000 0.919 272 Y HN 0.473 nan 8.280 nan 0.000 0.540 273 S N 0.614 115.846 115.700 -0.779 0.000 2.614 273 S HA 0.393 4.871 4.470 0.013 0.000 0.275 273 S C 0.071 174.469 174.600 -0.337 0.000 1.161 273 S CA -0.262 57.505 58.200 -0.723 0.000 0.969 273 S CB 0.895 63.291 63.200 -1.341 0.000 1.059 273 S HN 0.390 nan 8.310 nan 0.000 0.482 274 N N 4.179 122.788 118.700 -0.150 0.000 2.398 274 N HA 0.013 4.761 4.740 0.013 0.000 0.188 274 N C 0.177 175.733 175.510 0.077 0.000 1.122 274 N CA -0.233 52.795 53.050 -0.036 0.000 0.866 274 N CB -0.276 38.194 38.487 -0.028 0.000 0.970 274 N HN 0.584 nan 8.380 nan 0.000 0.462 275 F N 2.696 122.611 119.950 -0.058 0.000 2.518 275 F HA 0.148 4.683 4.527 0.013 0.000 0.359 275 F C 0.723 176.613 175.800 0.151 0.000 1.118 275 F CA 0.039 58.032 58.000 -0.012 0.000 1.287 275 F CB 0.695 39.665 39.000 -0.049 0.000 1.132 275 F HN 0.052 nan 8.300 nan 0.000 0.587 276 T N 1.613 115.824 114.554 -0.571 0.000 2.907 276 T HA 0.493 4.851 4.350 0.013 0.000 0.292 276 T C -1.382 172.851 174.700 -0.778 0.000 1.043 276 T CA -0.783 61.126 62.100 -0.318 0.000 1.003 276 T CB 1.116 69.922 68.868 -0.103 0.000 1.084 276 T HN 0.532 nan 8.240 nan 0.000 0.483 277 W N 2.496 123.570 121.300 -0.377 0.000 2.606 277 W HA 0.663 5.331 4.660 0.014 0.000 0.332 277 W C 0.202 176.703 176.519 -0.030 0.000 1.052 277 W CA -0.273 56.925 57.345 -0.246 0.000 1.223 277 W CB 1.418 30.849 29.460 -0.050 0.000 1.383 277 W HN 1.085 nan 8.180 nan 0.000 0.524 278 N N -0.878 117.944 118.700 0.204 0.000 3.278 278 N HA 0.471 5.219 4.740 0.013 0.000 0.307 278 N C 0.860 176.571 175.510 0.334 0.000 1.551 278 N CA -0.390 52.797 53.050 0.228 0.000 0.794 278 N CB 0.028 38.589 38.487 0.122 0.000 1.770 278 N HN 0.396 nan 8.380 nan 0.000 0.612 279 G N -0.958 107.981 108.800 0.233 0.000 2.479 279 G HA2 -0.229 3.739 3.960 0.013 0.000 0.220 279 G HA3 -0.229 3.739 3.960 0.013 0.000 0.220 279 G C 0.685 175.737 174.900 0.254 0.000 1.115 279 G CA 0.643 45.893 45.100 0.251 0.000 0.757 279 G HN 0.508 nan 8.290 nan 0.000 0.560 280 Q N -0.426 119.448 119.800 0.122 0.000 2.472 280 Q HA 0.035 4.383 4.340 0.013 0.000 0.208 280 Q C 2.081 178.090 176.000 0.014 0.000 0.958 280 Q CA 0.322 56.167 55.803 0.070 0.000 0.932 280 Q CB -0.249 28.499 28.738 0.017 0.000 1.007 280 Q HN 0.555 nan 8.270 nan 0.000 0.508 281 C N -0.255 119.018 119.300 -0.045 0.000 2.697 281 C HA 0.270 4.738 4.460 0.013 0.000 0.267 281 C C 0.545 175.285 174.990 -0.418 0.000 1.278 281 C CA -0.377 58.460 59.018 -0.302 0.000 1.708 281 C CB -0.805 26.651 27.740 -0.473 0.000 1.860 281 C HN 0.156 nan 8.230 nan 0.000 0.589 282 F N 0.487 120.580 119.950 0.238 0.000 2.546 282 F HA 0.338 4.872 4.527 0.013 0.000 0.320 282 F C 0.885 176.774 175.800 0.149 0.000 1.076 282 F CA -0.672 57.466 58.000 0.231 0.000 0.928 282 F CB 0.936 40.157 39.000 0.368 0.000 1.189 282 F HN -0.125 nan 8.300 nan 0.000 0.465 283 D N 0.860 121.372 120.400 0.187 0.000 2.249 283 D HA 0.248 4.896 4.640 0.013 0.000 0.205 283 D C 0.896 176.844 176.300 -0.587 0.000 0.962 283 D CA 0.936 54.870 54.000 -0.109 0.000 0.860 283 D CB 0.576 41.344 40.800 -0.054 0.000 0.955 283 D HN 0.714 nan 8.370 nan 0.000 0.505 284 G N -1.523 106.939 108.800 -0.563 0.000 2.341 284 G HA2 0.411 4.379 3.960 0.013 0.000 0.299 284 G HA3 0.411 4.379 3.960 0.013 0.000 0.299 284 G C -1.365 173.363 174.900 -0.286 0.000 1.274 284 G CA -0.088 44.426 45.100 -0.977 0.000 0.853 284 G HN 0.021 nan 8.290 nan 0.000 0.493 285 T N -1.373 113.121 114.554 -0.100 0.000 2.749 285 T HA 0.485 4.843 4.350 0.013 0.000 0.310 285 T C -1.182 173.574 174.700 0.094 0.000 1.496 285 T CA 0.575 62.781 62.100 0.176 0.000 1.006 285 T CB 1.792 70.856 68.868 0.326 0.000 1.457 285 T HN 0.871 nan 8.240 nan 0.000 0.497 286 D N 0.195 120.737 120.400 0.237 0.000 2.440 286 D HA 0.164 4.812 4.640 0.013 0.000 0.216 286 D C 0.010 176.596 176.300 0.477 0.000 1.150 286 D CA -0.294 53.795 54.000 0.148 0.000 0.832 286 D CB 0.233 41.138 40.800 0.175 0.000 0.992 286 D HN 0.424 nan 8.370 nan 0.000 0.502 287 W N 1.374 122.902 121.300 0.380 0.000 2.957 287 W HA 0.389 5.057 4.660 0.013 0.000 0.336 287 W C -1.926 174.767 176.519 0.291 0.000 1.087 287 W CA -0.778 56.779 57.345 0.352 0.000 1.235 287 W CB 2.134 31.750 29.460 0.259 0.000 1.399 287 W HN -0.245 nan 8.180 nan 0.000 0.480 288 D N 3.187 123.324 120.400 -0.438 0.000 2.392 288 D HA 0.124 4.772 4.640 0.013 0.000 0.228 288 D C 0.319 176.124 176.300 -0.826 0.000 1.074 288 D CA 0.033 53.684 54.000 -0.583 0.000 0.838 288 D CB 1.453 41.945 40.800 -0.514 0.000 1.067 288 D HN 0.356 nan 8.370 nan 0.000 0.511 289 D N 2.081 122.194 120.400 -0.477 0.000 2.348 289 D HA -0.059 4.589 4.640 0.013 0.000 0.216 289 D C 0.942 177.170 176.300 -0.120 0.000 0.970 289 D CA 0.884 54.782 54.000 -0.169 0.000 0.889 289 D CB 0.190 41.062 40.800 0.120 0.000 0.912 289 D HN 0.549 nan 8.370 nan 0.000 0.524 290 Y N -0.219 119.973 120.300 -0.180 0.000 2.138 290 Y HA -0.133 4.425 4.550 0.013 0.000 0.286 290 Y C 2.767 178.587 175.900 -0.133 0.000 1.115 290 Y CA 0.889 58.912 58.100 -0.127 0.000 1.105 290 Y CB -0.295 38.090 38.460 -0.124 0.000 1.004 290 Y HN 0.017 nan 8.280 nan 0.000 0.494 291 S N -0.698 114.997 115.700 -0.008 0.000 2.496 291 S HA -0.031 4.447 4.470 0.013 0.000 0.224 291 S C 0.538 175.048 174.600 -0.150 0.000 0.996 291 S CA 0.191 58.350 58.200 -0.068 0.000 0.927 291 S CB -0.128 63.030 63.200 -0.070 0.000 0.774 291 S HN 0.258 nan 8.310 nan 0.000 0.524 292 K N 0.920 121.113 120.400 -0.346 0.000 3.150 292 K HA -0.142 4.186 4.320 0.013 0.000 0.267 292 K C -1.004 175.267 176.600 -0.548 0.000 1.028 292 K CA 0.945 56.920 56.287 -0.519 0.000 0.753 292 K CB -2.499 30.019 32.500 0.030 0.000 1.288 292 K HN 0.761 nan 8.250 nan 0.000 0.473 293 E N 0.020 119.832 120.200 -0.647 0.000 2.234 293 E HA 0.350 4.708 4.350 0.013 0.000 0.266 293 E C -0.594 175.973 176.600 -0.056 0.000 0.877 293 E CA -0.605 55.681 56.400 -0.192 0.000 0.758 293 E CB 1.537 31.222 29.700 -0.025 0.000 1.170 293 E HN 0.092 nan 8.360 nan 0.000 0.415 294 S N 0.979 116.813 115.700 0.225 0.000 2.592 294 S HA 0.729 5.207 4.470 0.013 0.000 0.271 294 S C 0.195 174.812 174.600 0.028 0.000 1.326 294 S CA -0.199 58.177 58.200 0.294 0.000 1.024 294 S CB 1.319 64.697 63.200 0.296 0.000 0.921 294 S HN 0.691 nan 8.310 nan 0.000 0.527 295 G N 0.659 109.296 108.800 -0.271 0.000 2.428 295 G HA2 0.464 4.432 3.960 0.013 0.000 0.304 295 G HA3 0.464 4.432 3.960 0.013 0.000 0.304 295 G C -1.907 172.495 174.900 -0.830 0.000 1.303 295 G CA -0.809 43.873 45.100 -0.698 0.000 0.825 295 G HN 0.562 nan 8.290 nan 0.000 0.484 296 K N 0.590 120.538 120.400 -0.752 0.000 2.464 296 K HA 0.550 4.878 4.320 0.013 0.000 0.252 296 K C -1.574 174.808 176.600 -0.363 0.000 1.000 296 K CA -0.574 55.380 56.287 -0.556 0.000 0.951 296 K CB 0.626 32.948 32.500 -0.296 0.000 1.183 296 K HN 0.486 nan 8.250 nan 0.000 0.445 297 Y N 4.059 124.307 120.300 -0.086 0.000 2.334 297 Y HA 0.284 4.843 4.550 0.014 0.000 0.336 297 Y C -0.336 175.516 175.900 -0.080 0.000 0.960 297 Y CA -1.354 56.738 58.100 -0.014 0.000 1.164 297 Y CB 1.419 39.894 38.460 0.025 0.000 1.155 297 Y HN 0.387 nan 8.280 nan 0.000 0.478 298 L N 5.187 126.440 121.223 0.050 0.000 2.275 298 L HA 0.477 4.825 4.340 0.013 0.000 0.288 298 L C -0.901 175.929 176.870 -0.068 0.000 1.046 298 L CA -0.444 54.222 54.840 -0.290 0.000 0.805 298 L CB -0.050 41.776 42.059 -0.388 0.000 1.193 298 L HN 0.452 nan 8.230 nan 0.000 0.426 299 F N 2.202 122.062 119.950 -0.150 0.000 2.450 299 F HA 0.089 4.625 4.527 0.014 0.000 0.339 299 F C 0.958 176.690 175.800 -0.114 0.000 1.146 299 F CA -0.883 57.063 58.000 -0.089 0.000 1.267 299 F CB 0.489 39.469 39.000 -0.032 0.000 1.178 299 F HN 0.535 nan 8.300 nan 0.000 0.585 300 D N 1.818 122.275 120.400 0.096 0.000 2.488 300 D HA -0.029 4.619 4.640 0.013 0.000 0.238 300 D C 0.314 176.621 176.300 0.011 0.000 1.138 300 D CA 0.879 54.883 54.000 0.006 0.000 0.873 300 D CB 0.335 41.112 40.800 -0.038 0.000 1.183 300 D HN 0.637 nan 8.370 nan 0.000 0.458 301 E N -0.536 119.656 120.200 -0.015 0.000 3.799 301 E HA -0.232 4.126 4.350 0.013 0.000 0.320 301 E C -0.168 176.416 176.600 -0.027 0.000 0.760 301 E CA 0.719 57.109 56.400 -0.016 0.000 1.153 301 E CB -0.483 29.213 29.700 -0.006 0.000 1.589 301 E HN 0.413 nan 8.360 nan 0.000 0.448 302 K N 0.791 121.162 120.400 -0.049 0.000 2.109 302 K HA 0.522 4.850 4.320 0.013 0.000 0.243 302 K C 0.237 176.725 176.600 -0.187 0.000 1.006 302 K CA -0.167 56.060 56.287 -0.100 0.000 0.917 302 K CB 1.621 34.053 32.500 -0.113 0.000 1.081 302 K HN 0.138 nan 8.250 nan 0.000 0.468 303 S N -0.750 114.837 115.700 -0.189 0.000 2.546 303 S HA 0.456 4.934 4.470 0.013 0.000 0.274 303 S C -0.996 173.516 174.600 -0.148 0.000 1.121 303 S CA -1.090 56.991 58.200 -0.199 0.000 0.887 303 S CB 0.561 63.743 63.200 -0.031 0.000 1.094 303 S HN 0.527 nan 8.310 nan 0.000 0.474 304 W N 1.832 123.147 121.300 0.026 0.000 2.193 304 W HA 0.238 4.907 4.660 0.014 0.000 0.338 304 W C 0.292 176.845 176.519 0.056 0.000 1.310 304 W CA -0.145 57.217 57.345 0.028 0.000 1.243 304 W CB 0.355 29.810 29.460 -0.008 0.000 1.165 304 W HN 0.585 nan 8.180 nan 0.000 0.566 305 D N 0.802 121.412 120.400 0.349 0.000 2.371 305 D HA 0.012 4.660 4.640 0.013 0.000 0.242 305 D C -0.332 176.150 176.300 0.303 0.000 1.218 305 D CA -0.067 54.084 54.000 0.252 0.000 0.945 305 D CB 0.379 41.294 40.800 0.192 0.000 1.137 305 D HN 0.134 nan 8.370 nan 0.000 0.464 306 W N 1.134 122.355 121.300 -0.131 0.000 2.356 306 W HA 0.249 4.917 4.660 0.013 0.000 0.311 306 W C 0.690 177.103 176.519 -0.177 0.000 1.328 306 W CA -0.580 56.621 57.345 -0.241 0.000 1.251 306 W CB -0.449 28.733 29.460 -0.463 0.000 1.280 306 W HN 0.084 nan 8.180 nan 0.000 0.524 307 T N -0.378 114.341 114.554 0.274 0.000 2.916 307 T HA 0.213 4.571 4.350 0.013 0.000 0.292 307 T C 0.378 175.402 174.700 0.539 0.000 1.055 307 T CA -0.647 61.710 62.100 0.429 0.000 1.009 307 T CB 1.686 70.689 68.868 0.225 0.000 1.118 307 T HN 0.342 nan 8.240 nan 0.000 0.497 308 Y N 2.231 122.774 120.300 0.404 0.000 2.128 308 Y HA 0.013 4.570 4.550 0.013 0.000 0.284 308 Y C 0.623 176.636 175.900 0.189 0.000 1.154 308 Y CA 1.336 59.576 58.100 0.234 0.000 1.149 308 Y CB -0.326 38.321 38.460 0.312 0.000 0.976 308 Y HN 0.583 nan 8.280 nan 0.000 0.505 309 N N 0.363 119.065 118.700 0.003 0.000 2.479 309 N HA -0.038 4.710 4.740 0.013 0.000 0.285 309 N C -0.688 174.871 175.510 0.081 0.000 1.075 309 N CA -0.443 52.566 53.050 -0.068 0.000 0.967 309 N CB 0.221 38.681 38.487 -0.045 0.000 1.137 309 N HN 0.399 nan 8.380 nan 0.000 0.472 310 W N 2.264 123.521 121.300 -0.072 0.000 2.295 310 W HA -0.115 4.552 4.660 0.013 0.000 0.335 310 W C 0.387 176.900 176.519 -0.010 0.000 1.351 310 W CA 0.904 58.232 57.345 -0.028 0.000 1.273 310 W CB 0.149 29.582 29.460 -0.045 0.000 1.214 310 W HN 0.672 nan 8.180 nan 0.000 0.563 311 D N 2.820 123.035 120.400 -0.309 0.000 2.800 311 D HA -0.226 4.422 4.640 0.013 0.000 0.232 311 D C 0.475 176.688 176.300 -0.144 0.000 1.137 311 D CA 1.346 55.218 54.000 -0.213 0.000 0.718 311 D CB -1.131 39.657 40.800 -0.019 0.000 1.084 311 D HN 0.701 nan 8.370 nan 0.000 0.432 312 E N -0.667 119.488 120.200 -0.076 0.000 2.501 312 E HA -0.009 4.349 4.350 0.013 0.000 0.201 312 E C 1.111 177.746 176.600 0.059 0.000 1.016 312 E CA -0.164 56.240 56.400 0.007 0.000 0.920 312 E CB 0.350 30.065 29.700 0.025 0.000 1.023 312 E HN 0.249 nan 8.360 nan 0.000 0.474 313 D N 0.421 120.793 120.400 -0.047 0.000 2.117 313 D HA -0.185 4.463 4.640 0.013 0.000 0.197 313 D C 0.070 176.303 176.300 -0.111 0.000 0.987 313 D CA 0.910 54.927 54.000 0.028 0.000 0.829 313 D CB 0.042 40.924 40.800 0.138 0.000 0.961 313 D HN 0.101 nan 8.370 nan 0.000 0.460 314 Y N 0.310 120.313 120.300 -0.496 0.000 2.359 314 Y HA 0.303 4.861 4.550 0.013 0.000 0.334 314 Y C 0.600 176.316 175.900 -0.308 0.000 1.058 314 Y CA -0.269 57.532 58.100 -0.498 0.000 1.244 314 Y CB 0.958 38.872 38.460 -0.910 0.000 1.187 314 Y HN -0.041 nan 8.280 nan 0.000 0.510 315 L N 5.838 126.378 121.223 -1.139 0.000 2.666 315 L HA 0.465 4.813 4.340 0.013 0.000 0.184 315 L C -0.456 175.950 176.870 -0.773 0.000 1.092 315 L CA 0.739 55.097 54.840 -0.802 0.000 0.857 315 L CB 0.320 41.929 42.059 -0.751 0.000 1.281 315 L HN 0.729 nan 8.230 nan 0.000 0.489 316 M N -2.660 116.426 119.600 -0.857 0.000 2.949 316 M HA 0.637 5.125 4.480 0.013 0.000 0.270 316 M C 0.250 176.365 176.300 -0.308 0.000 1.221 316 M CA -0.290 54.744 55.300 -0.444 0.000 0.818 316 M CB 0.901 33.280 32.600 -0.368 0.000 1.635 316 M HN 0.297 nan 8.290 nan 0.000 0.492 317 G N 0.851 109.610 108.800 -0.069 0.000 2.601 317 G HA2 0.128 4.096 3.960 0.013 0.000 0.261 317 G HA3 0.128 4.096 3.960 0.013 0.000 0.261 317 G C -0.297 174.712 174.900 0.182 0.000 1.289 317 G CA 0.047 45.162 45.100 0.025 0.000 0.920 317 G HN 1.906 nan 8.290 nan 0.000 0.571 318 A N 0.044 122.923 122.820 0.099 0.000 2.302 318 A HA 0.584 4.912 4.320 0.013 0.000 0.295 318 A C 0.065 177.747 177.584 0.164 0.000 1.235 318 A CA 0.780 52.789 52.037 -0.047 0.000 0.876 318 A CB 0.581 19.155 19.000 -0.710 0.000 1.133 318 A HN 1.005 nan 8.150 nan 0.000 0.533 319 D N 2.581 123.201 120.400 0.366 0.000 2.312 319 D HA 0.355 5.003 4.640 0.013 0.000 0.252 319 D C 0.007 176.600 176.300 0.489 0.000 1.150 319 D CA -0.050 54.191 54.000 0.402 0.000 0.870 319 D CB 0.931 42.028 40.800 0.494 0.000 1.153 319 D HN 0.279 nan 8.370 nan 0.000 0.457 320 V N 3.821 123.920 119.914 0.308 0.000 2.655 320 V HA 0.023 4.151 4.120 0.013 0.000 0.300 320 V C 0.475 176.468 176.094 -0.169 0.000 1.044 320 V CA -0.038 62.256 62.300 -0.009 0.000 1.095 320 V CB 1.142 32.732 31.823 -0.388 0.000 0.952 320 V HN 0.614 nan 8.190 nan 0.000 0.485 321 D N 3.283 123.537 120.400 -0.244 0.000 2.441 321 D HA 0.162 4.810 4.640 0.013 0.000 0.221 321 D C 0.292 176.372 176.300 -0.367 0.000 1.156 321 D CA -0.077 53.810 54.000 -0.188 0.000 0.896 321 D CB 0.176 40.920 40.800 -0.093 0.000 1.028 321 D HN 0.534 nan 8.370 nan 0.000 0.509 322 Y N 1.515 121.723 120.300 -0.153 0.000 2.502 322 Y HA 0.073 4.631 4.550 0.013 0.000 0.295 322 Y C 1.624 177.387 175.900 -0.228 0.000 1.193 322 Y CA 0.132 58.037 58.100 -0.326 0.000 1.295 322 Y CB 0.379 38.567 38.460 -0.453 0.000 1.059 322 Y HN 0.433 nan 8.280 nan 0.000 0.514 323 E N -0.181 119.979 120.200 -0.068 0.000 2.435 323 E HA -0.090 4.268 4.350 0.013 0.000 0.195 323 E C 0.565 177.110 176.600 -0.090 0.000 1.029 323 E CA -0.088 56.261 56.400 -0.085 0.000 0.865 323 E CB 0.099 29.747 29.700 -0.087 0.000 0.833 323 E HN 0.183 nan 8.360 nan 0.000 0.510 324 N N 1.776 120.402 118.700 -0.124 0.000 2.442 324 N HA -0.044 4.704 4.740 0.013 0.000 0.265 324 N C 0.344 175.776 175.510 -0.131 0.000 1.138 324 N CA 0.367 53.340 53.050 -0.128 0.000 0.956 324 N CB 0.953 39.342 38.487 -0.164 0.000 1.067 324 N HN 0.093 nan 8.380 nan 0.000 0.474 325 E N 2.637 122.782 120.200 -0.092 0.000 2.107 325 E HA -0.124 4.234 4.350 0.013 0.000 0.191 325 E C 1.462 177.989 176.600 -0.122 0.000 0.982 325 E CA 1.101 57.456 56.400 -0.075 0.000 0.809 325 E CB 0.055 29.727 29.700 -0.048 0.000 0.756 325 E HN 0.764 nan 8.360 nan 0.000 0.459 326 A N 0.961 123.690 122.820 -0.152 0.000 1.933 326 A HA -0.140 4.188 4.320 0.013 0.000 0.218 326 A C 2.473 179.707 177.584 -0.583 0.000 1.175 326 A CA 1.049 52.931 52.037 -0.259 0.000 0.628 326 A CB -0.604 18.345 19.000 -0.084 0.000 0.814 326 A HN 0.102 nan 8.150 nan 0.000 0.444 327 V N 0.053 119.673 119.914 -0.491 0.000 2.295 327 V HA -0.342 3.786 4.120 0.013 0.000 0.246 327 V C 2.663 178.550 176.094 -0.345 0.000 1.049 327 V CA 2.323 64.254 62.300 -0.614 0.000 1.024 327 V CB -0.958 30.546 31.823 -0.532 0.000 0.648 327 V HN 0.656 nan 8.190 nan 0.000 0.447 328 Q N -0.096 119.597 119.800 -0.178 0.000 2.112 328 Q HA -0.246 4.102 4.340 0.013 0.000 0.206 328 Q C 2.171 178.272 176.000 0.169 0.000 0.987 328 Q CA 1.808 57.655 55.803 0.073 0.000 0.858 328 Q CB -0.329 28.504 28.738 0.159 0.000 0.905 328 Q HN 0.632 nan 8.270 nan 0.000 0.420 329 N N 0.675 119.365 118.700 -0.017 0.000 2.188 329 N HA -0.144 4.604 4.740 0.013 0.000 0.184 329 N C 1.267 176.782 175.510 0.009 0.000 1.018 329 N CA 1.386 54.435 53.050 -0.002 0.000 0.858 329 N CB -0.325 38.118 38.487 -0.072 0.000 0.989 329 N HN 0.255 nan 8.380 nan 0.000 0.426 330 D N 0.138 120.435 120.400 -0.172 0.000 2.117 330 D HA -0.047 4.601 4.640 0.013 0.000 0.198 330 D C 1.790 178.267 176.300 0.296 0.000 0.982 330 D CA 0.536 54.520 54.000 -0.027 0.000 0.828 330 D CB 0.207 40.781 40.800 -0.377 0.000 0.967 330 D HN -0.067 nan 8.370 nan 0.000 0.464 331 V N 0.456 120.537 119.914 0.278 0.000 2.427 331 V HA -0.159 3.969 4.120 0.013 0.000 0.248 331 V C 2.409 178.933 176.094 0.716 0.000 1.051 331 V CA 1.026 63.611 62.300 0.474 0.000 1.048 331 V CB -0.353 31.742 31.823 0.453 0.000 0.666 331 V HN 0.303 nan 8.190 nan 0.000 0.456 332 I N 0.144 121.074 120.570 0.600 0.000 2.179 332 I HA -0.229 3.949 4.170 0.013 0.000 0.242 332 I C 2.315 178.575 176.117 0.238 0.000 1.088 332 I CA 1.591 63.114 61.300 0.371 0.000 1.357 332 I CB -0.470 37.656 38.000 0.210 0.000 1.051 332 I HN 0.291 nan 8.210 nan 0.000 0.409 333 D N -0.060 120.514 120.400 0.288 0.000 2.123 333 D HA -0.255 4.393 4.640 0.013 0.000 0.196 333 D C 1.646 178.164 176.300 0.364 0.000 0.992 333 D CA 1.188 55.382 54.000 0.323 0.000 0.833 333 D CB -0.357 40.683 40.800 0.401 0.000 0.954 333 D HN 0.479 nan 8.370 nan 0.000 0.455 334 W N 1.828 123.187 121.300 0.099 0.000 2.355 334 W HA -0.089 4.578 4.660 0.013 0.000 0.309 334 W C 2.385 178.887 176.519 -0.029 0.000 1.206 334 W CA 2.365 59.451 57.345 -0.432 0.000 1.284 334 W CB -0.694 28.334 29.460 -0.720 0.000 1.145 334 W HN -0.021 nan 8.180 nan 0.000 0.502 335 G N -0.016 108.836 108.800 0.087 0.000 2.440 335 G HA2 -0.328 3.640 3.960 0.013 0.000 0.218 335 G HA3 -0.328 3.640 3.960 0.013 0.000 0.218 335 G C 1.347 176.126 174.900 -0.203 0.000 1.154 335 G CA 1.230 46.229 45.100 -0.168 0.000 0.767 335 G HN 0.460 nan 8.290 nan 0.000 0.552 336 Q N -1.267 118.462 119.800 -0.119 0.000 2.124 336 Q HA -0.132 4.216 4.340 0.013 0.000 0.202 336 Q C 2.193 178.200 176.000 0.012 0.000 0.977 336 Q CA 1.257 57.029 55.803 -0.051 0.000 0.850 336 Q CB -0.238 28.503 28.738 0.004 0.000 0.901 336 Q HN 0.677 nan 8.270 nan 0.000 0.429 337 W N 1.385 122.583 121.300 -0.171 0.000 2.335 337 W HA -0.207 4.461 4.660 0.013 0.000 0.311 337 W C 1.659 178.013 176.519 -0.275 0.000 1.213 337 W CA 1.080 58.332 57.345 -0.155 0.000 1.274 337 W CB -0.162 29.253 29.460 -0.075 0.000 1.148 337 W HN 0.015 nan 8.180 nan 0.000 0.498 338 I N 0.637 120.922 120.570 -0.474 0.000 2.208 338 I HA -0.319 3.859 4.170 0.013 0.000 0.245 338 I C 2.179 178.080 176.117 -0.360 0.000 1.097 338 I CA 1.450 62.345 61.300 -0.676 0.000 1.363 338 I CB -1.475 35.910 38.000 -1.026 0.000 1.051 338 I HN 0.058 nan 8.210 nan 0.000 0.413 339 I N 0.670 121.098 120.570 -0.238 0.000 2.235 339 I HA -0.180 3.998 4.170 0.013 0.000 0.241 339 I C 2.017 178.062 176.117 -0.121 0.000 1.085 339 I CA 1.254 62.469 61.300 -0.142 0.000 1.378 339 I CB -1.252 36.691 38.000 -0.095 0.000 1.076 339 I HN 0.276 nan 8.210 nan 0.000 0.415 340 N N 1.007 119.642 118.700 -0.108 0.000 2.415 340 N HA -0.053 4.695 4.740 0.013 0.000 0.176 340 N C 1.295 176.754 175.510 -0.086 0.000 1.042 340 N CA 0.721 53.729 53.050 -0.070 0.000 0.902 340 N CB -0.028 38.446 38.487 -0.021 0.000 0.986 340 N HN 0.438 nan 8.380 nan 0.000 0.447 341 N N -0.010 118.589 118.700 -0.168 0.000 2.510 341 N HA 0.184 4.932 4.740 0.013 0.000 0.186 341 N C 1.135 176.450 175.510 -0.324 0.000 1.051 341 N CA 0.151 53.076 53.050 -0.208 0.000 0.877 341 N CB 0.458 38.821 38.487 -0.206 0.000 1.183 341 N HN 0.017 nan 8.380 nan 0.000 0.443 342 I N 0.435 120.721 120.570 -0.474 0.000 3.603 342 I HA 0.088 4.266 4.170 0.013 0.000 0.297 342 I C 0.130 176.109 176.117 -0.231 0.000 1.269 342 I CA 0.673 61.737 61.300 -0.393 0.000 1.361 342 I CB -0.708 36.980 38.000 -0.521 0.000 1.063 342 I HN 0.134 nan 8.210 nan 0.000 0.448 343 D N 0.274 120.575 120.400 -0.165 0.000 3.091 343 D HA -0.228 4.420 4.640 0.013 0.000 0.216 343 D C 0.080 176.323 176.300 -0.094 0.000 1.129 343 D CA 0.289 54.228 54.000 -0.101 0.000 0.913 343 D CB -1.434 39.324 40.800 -0.071 0.000 1.101 343 D HN 0.088 nan 8.370 nan 0.000 0.426 344 F N 0.574 120.398 119.950 -0.210 0.000 2.535 344 F HA 0.179 4.714 4.527 0.013 0.000 0.332 344 F C 2.126 177.833 175.800 -0.155 0.000 1.208 344 F CA 0.681 58.562 58.000 -0.199 0.000 1.330 344 F CB 0.377 39.192 39.000 -0.309 0.000 1.167 344 F HN -0.100 nan 8.300 nan 0.000 0.597 345 D N 0.003 120.477 120.400 0.122 0.000 2.441 345 D HA 0.284 4.932 4.640 0.013 0.000 0.210 345 D C 0.719 177.071 176.300 0.087 0.000 1.102 345 D CA 0.534 54.592 54.000 0.097 0.000 0.840 345 D CB 0.954 41.833 40.800 0.132 0.000 0.990 345 D HN 0.634 nan 8.370 nan 0.000 0.505 346 G N 0.053 108.835 108.800 -0.031 0.000 2.321 346 G HA2 0.402 4.370 3.960 0.013 0.000 0.296 346 G HA3 0.402 4.370 3.960 0.013 0.000 0.296 346 G C -2.004 172.621 174.900 -0.459 0.000 1.287 346 G CA -0.890 44.029 45.100 -0.302 0.000 0.846 346 G HN -0.009 nan 8.290 nan 0.000 0.508 347 F N -0.323 119.590 119.950 -0.062 0.000 2.601 347 F HA 0.701 5.236 4.527 0.013 0.000 0.309 347 F C 0.249 176.118 175.800 0.114 0.000 1.089 347 F CA -0.824 57.269 58.000 0.154 0.000 0.940 347 F CB 2.565 41.759 39.000 0.324 0.000 1.273 347 F HN 0.515 nan 8.300 nan 0.000 0.450 348 R N 2.866 123.562 120.500 0.326 0.000 2.265 348 R HA 0.618 4.966 4.340 0.013 0.000 0.319 348 R C -1.622 174.862 176.300 0.307 0.000 1.006 348 R CA -0.456 55.743 56.100 0.166 0.000 0.880 348 R CB 0.702 30.919 30.300 -0.139 0.000 1.077 348 R HN 0.795 nan 8.270 nan 0.000 0.454 349 L N 4.650 126.019 121.223 0.243 0.000 2.288 349 L HA 0.207 4.555 4.340 0.013 0.000 0.283 349 L C -0.125 176.868 176.870 0.204 0.000 1.072 349 L CA -0.704 54.249 54.840 0.189 0.000 0.862 349 L CB 1.005 43.132 42.059 0.113 0.000 1.245 349 L HN 0.687 nan 8.230 nan 0.000 0.432 350 D N 3.541 124.096 120.400 0.257 0.000 2.488 350 D HA 0.244 4.892 4.640 0.013 0.000 0.238 350 D C 0.975 177.405 176.300 0.217 0.000 1.138 350 D CA 0.833 55.011 54.000 0.297 0.000 0.873 350 D CB 0.886 41.937 40.800 0.418 0.000 1.183 350 D HN 0.728 nan 8.370 nan 0.000 0.458 351 A N 2.463 125.413 122.820 0.216 0.000 2.872 351 A HA -0.205 4.123 4.320 0.013 0.000 0.273 351 A C 1.603 179.305 177.584 0.196 0.000 1.442 351 A CA 0.778 52.965 52.037 0.251 0.000 0.801 351 A CB -2.021 17.136 19.000 0.261 0.000 1.031 351 A HN 0.632 nan 8.150 nan 0.000 0.582 352 V N 0.563 120.540 119.914 0.106 0.000 2.594 352 V HA -0.247 3.881 4.120 0.013 0.000 0.253 352 V C 2.466 178.612 176.094 0.087 0.000 1.069 352 V CA 2.817 65.182 62.300 0.108 0.000 1.082 352 V CB -0.374 31.538 31.823 0.148 0.000 0.680 352 V HN 0.919 nan 8.190 nan 0.000 0.469 353 K N -1.643 118.664 120.400 -0.156 0.000 2.504 353 K HA -0.109 4.219 4.320 0.013 0.000 0.195 353 K C 1.292 177.762 176.600 -0.217 0.000 1.036 353 K CA 1.316 57.470 56.287 -0.222 0.000 0.984 353 K CB -0.273 31.939 32.500 -0.481 0.000 0.788 353 K HN 0.586 nan 8.250 nan 0.000 0.488 354 H N 0.331 119.455 119.070 0.090 0.000 2.549 354 H HA 0.315 4.879 4.556 0.013 0.000 0.279 354 H C -0.065 175.335 175.328 0.119 0.000 1.018 354 H CA -0.116 55.973 56.048 0.068 0.000 1.175 354 H CB 0.339 30.101 29.762 0.000 0.000 1.485 354 H HN 0.130 nan 8.280 nan 0.000 0.543 355 I N 1.357 122.059 120.570 0.220 0.000 2.433 355 I HA 0.036 4.214 4.170 0.013 0.000 0.292 355 I C 0.460 176.699 176.117 0.204 0.000 1.001 355 I CA -0.873 60.553 61.300 0.209 0.000 1.119 355 I CB 2.221 40.294 38.000 0.122 0.000 1.289 355 I HN -0.066 nan 8.210 nan 0.000 0.438 356 D N 5.371 125.886 120.400 0.191 0.000 2.793 356 D HA -0.179 4.469 4.640 0.013 0.000 0.230 356 D C 0.793 177.143 176.300 0.083 0.000 1.139 356 D CA 0.718 54.777 54.000 0.098 0.000 0.838 356 D CB 0.637 41.488 40.800 0.085 0.000 1.149 356 D HN 0.519 nan 8.370 nan 0.000 0.526 357 Y N 4.044 124.439 120.300 0.160 0.000 2.352 357 Y HA -0.055 4.503 4.550 0.013 0.000 0.292 357 Y C 2.139 178.051 175.900 0.020 0.000 1.136 357 Y CA 0.604 58.748 58.100 0.074 0.000 1.227 357 Y CB -0.448 38.048 38.460 0.059 0.000 0.991 357 Y HN 0.278 nan 8.280 nan 0.000 0.545 358 R N -0.374 120.082 120.500 -0.073 0.000 2.081 358 R HA -0.121 4.227 4.340 0.013 0.000 0.235 358 R C 2.014 178.306 176.300 -0.014 0.000 1.131 358 R CA 1.841 57.916 56.100 -0.041 0.000 0.960 358 R CB -0.767 29.412 30.300 -0.203 0.000 0.856 358 R HN 0.421 nan 8.270 nan 0.000 0.436 359 F N 1.606 121.478 119.950 -0.130 0.000 2.113 359 F HA -0.141 4.394 4.527 0.013 0.000 0.297 359 F C 1.999 177.727 175.800 -0.120 0.000 1.103 359 F CA 1.148 59.062 58.000 -0.143 0.000 1.248 359 F CB -0.113 38.734 39.000 -0.254 0.000 0.999 359 F HN -0.154 nan 8.300 nan 0.000 0.475 360 I N 0.865 121.305 120.570 -0.217 0.000 2.151 360 I HA -0.330 3.848 4.170 0.013 0.000 0.243 360 I C 2.240 178.207 176.117 -0.250 0.000 1.080 360 I CA 2.195 63.337 61.300 -0.263 0.000 1.339 360 I CB -1.543 36.412 38.000 -0.075 0.000 1.039 360 I HN 0.260 nan 8.210 nan 0.000 0.409 361 D N 0.771 121.067 120.400 -0.172 0.000 2.097 361 D HA -0.248 4.400 4.640 0.013 0.000 0.195 361 D C 2.305 178.477 176.300 -0.214 0.000 0.989 361 D CA 1.604 55.499 54.000 -0.176 0.000 0.827 361 D CB -0.033 40.709 40.800 -0.096 0.000 0.966 361 D HN 0.198 nan 8.370 nan 0.000 0.456 362 K N -0.901 119.371 120.400 -0.213 0.000 2.057 362 K HA -0.176 4.152 4.320 0.013 0.000 0.207 362 K C 2.183 178.627 176.600 -0.259 0.000 1.049 362 K CA 1.215 57.384 56.287 -0.197 0.000 0.931 362 K CB -0.472 31.952 32.500 -0.126 0.000 0.714 362 K HN 0.354 nan 8.250 nan 0.000 0.440 363 W N 1.429 122.317 121.300 -0.686 0.000 2.354 363 W HA -0.203 4.465 4.660 0.013 0.000 0.315 363 W C 1.962 178.211 176.519 -0.450 0.000 1.206 363 W CA 1.940 58.893 57.345 -0.654 0.000 1.290 363 W CB -0.158 28.648 29.460 -1.090 0.000 1.152 363 W HN 0.007 nan 8.180 nan 0.000 0.489 364 M N -0.101 119.306 119.600 -0.321 0.000 2.108 364 M HA -0.266 4.222 4.480 0.013 0.000 0.261 364 M C 2.203 178.201 176.300 -0.503 0.000 1.066 364 M CA 2.204 57.098 55.300 -0.676 0.000 1.107 364 M CB -0.763 31.332 32.600 -0.842 0.000 1.356 364 M HN -0.114 nan 8.290 nan 0.000 0.406 365 S N 0.217 115.710 115.700 -0.344 0.000 2.387 365 S HA -0.014 4.464 4.470 0.013 0.000 0.226 365 S C 2.046 176.527 174.600 -0.198 0.000 1.026 365 S CA 1.140 59.207 58.200 -0.223 0.000 0.972 365 S CB -0.278 62.821 63.200 -0.169 0.000 0.814 365 S HN 0.550 nan 8.310 nan 0.000 0.477 366 A N 0.981 123.654 122.820 -0.245 0.000 1.930 366 A HA -0.001 4.327 4.320 0.013 0.000 0.217 366 A C 2.280 179.716 177.584 -0.247 0.000 1.175 366 A CA 1.213 53.123 52.037 -0.213 0.000 0.627 366 A CB -0.707 18.167 19.000 -0.210 0.000 0.815 366 A HN 0.341 nan 8.150 nan 0.000 0.443 367 V N -0.328 119.349 119.914 -0.395 0.000 2.307 367 V HA -0.251 3.877 4.120 0.013 0.000 0.245 367 V C 2.719 178.752 176.094 -0.101 0.000 1.045 367 V CA 2.271 64.371 62.300 -0.332 0.000 1.024 367 V CB -0.704 30.753 31.823 -0.609 0.000 0.651 367 V HN 0.680 nan 8.190 nan 0.000 0.449 368 Q N 0.882 120.674 119.800 -0.014 0.000 2.096 368 Q HA -0.191 4.157 4.340 0.013 0.000 0.204 368 Q C 1.892 177.885 176.000 -0.011 0.000 0.982 368 Q CA 1.959 57.796 55.803 0.056 0.000 0.850 368 Q CB -0.380 28.422 28.738 0.107 0.000 0.901 368 Q HN 0.616 nan 8.270 nan 0.000 0.422 369 N N -0.557 118.114 118.700 -0.049 0.000 2.512 369 N HA -0.069 4.679 4.740 0.013 0.000 0.183 369 N C 1.225 176.711 175.510 -0.040 0.000 1.073 369 N CA 1.034 54.058 53.050 -0.044 0.000 0.911 369 N CB -0.090 38.364 38.487 -0.055 0.000 0.964 369 N HN 0.416 nan 8.380 nan 0.000 0.447 370 S N -1.503 114.168 115.700 -0.048 0.000 2.527 370 S HA 0.101 4.579 4.470 0.013 0.000 0.222 370 S C 0.769 175.353 174.600 -0.027 0.000 0.985 370 S CA -0.236 57.941 58.200 -0.038 0.000 0.921 370 S CB 0.191 63.361 63.200 -0.049 0.000 0.772 370 S HN 0.152 nan 8.310 nan 0.000 0.529 371 S N -0.226 115.458 115.700 -0.026 0.000 2.556 371 S HA 0.474 4.952 4.470 0.013 0.000 0.271 371 S C -0.250 174.338 174.600 -0.020 0.000 1.135 371 S CA -0.798 57.387 58.200 -0.024 0.000 0.858 371 S CB 1.002 64.183 63.200 -0.032 0.000 1.114 371 S HN 0.070 nan 8.310 nan 0.000 0.468 372 N N 1.331 120.018 118.700 -0.021 0.000 2.494 372 N HA 0.031 4.779 4.740 0.013 0.000 0.182 372 N C 0.657 176.157 175.510 -0.018 0.000 1.076 372 N CA 0.240 53.279 53.050 -0.017 0.000 0.908 372 N CB -0.460 38.016 38.487 -0.019 0.000 0.967 372 N HN 0.577 nan 8.380 nan 0.000 0.449 373 R N 1.502 121.987 120.500 -0.026 0.000 2.623 373 R HA -0.050 4.298 4.340 0.013 0.000 0.271 373 R C -0.589 175.705 176.300 -0.010 0.000 1.043 373 R CA -0.019 56.065 56.100 -0.028 0.000 1.083 373 R CB 0.308 30.581 30.300 -0.045 0.000 0.974 373 R HN -0.118 nan 8.270 nan 0.000 0.436 374 D N 4.154 124.557 120.400 0.005 0.000 2.468 374 D HA 0.104 4.752 4.640 0.013 0.000 0.218 374 D C -0.681 175.633 176.300 0.024 0.000 1.155 374 D CA -0.335 53.683 54.000 0.030 0.000 0.924 374 D CB 0.636 41.467 40.800 0.052 0.000 1.029 374 D HN 0.170 nan 8.370 nan 0.000 0.515 375 V N 4.799 124.699 119.914 -0.022 0.000 2.585 375 V HA 0.036 4.164 4.120 0.013 0.000 0.296 375 V C 0.558 176.491 176.094 -0.268 0.000 1.035 375 V CA -0.275 61.916 62.300 -0.182 0.000 1.084 375 V CB 0.188 31.840 31.823 -0.285 0.000 0.953 375 V HN 0.383 nan 8.190 nan 0.000 0.483 376 F N 6.136 125.802 119.950 -0.475 0.000 2.396 376 F HA 0.650 5.185 4.527 0.013 0.000 0.343 376 F C -0.557 174.844 175.800 -0.664 0.000 1.104 376 F CA -0.458 57.266 58.000 -0.460 0.000 1.161 376 F CB 0.645 39.316 39.000 -0.549 0.000 1.146 376 F HN 0.335 nan 8.300 nan 0.000 0.522 377 F N 5.517 125.154 119.950 -0.520 0.000 2.547 377 F HA 0.591 5.125 4.527 0.013 0.000 0.316 377 F C -0.826 174.621 175.800 -0.588 0.000 1.121 377 F CA -1.142 56.678 58.000 -0.299 0.000 0.911 377 F CB 1.898 40.836 39.000 -0.103 0.000 1.179 377 F HN 0.284 nan 8.300 nan 0.000 0.443 378 V N 2.673 122.475 119.914 -0.187 0.000 2.577 378 V HA 0.856 4.984 4.120 0.013 0.000 0.303 378 V C -0.392 175.633 176.094 -0.114 0.000 1.042 378 V CA -0.292 61.822 62.300 -0.309 0.000 0.872 378 V CB 1.602 33.108 31.823 -0.529 0.000 0.998 378 V HN 0.863 nan 8.190 nan 0.000 0.423 379 G N 3.842 112.614 108.800 -0.048 0.000 2.377 379 G HA2 0.446 4.414 3.960 0.013 0.000 0.299 379 G HA3 0.446 4.414 3.960 0.013 0.000 0.299 379 G C -0.473 174.528 174.900 0.168 0.000 1.150 379 G CA -0.338 44.815 45.100 0.089 0.000 0.847 379 G HN 0.780 nan 8.290 nan 0.000 0.501 380 E N 1.427 121.784 120.200 0.262 0.000 1.993 380 E HA 0.441 4.799 4.350 0.013 0.000 0.271 380 E C -0.430 176.242 176.600 0.120 0.000 1.008 380 E CA -0.585 56.027 56.400 0.353 0.000 0.814 380 E CB 0.628 30.524 29.700 0.326 0.000 1.098 380 E HN 0.440 nan 8.360 nan 0.000 0.407 381 A N 6.128 128.958 122.820 0.017 0.000 2.328 381 A HA 0.144 4.472 4.320 0.013 0.000 0.318 381 A C -0.874 176.545 177.584 -0.275 0.000 1.347 381 A CA -0.707 51.147 52.037 -0.305 0.000 0.842 381 A CB 0.184 18.728 19.000 -0.761 0.000 1.148 381 A HN 0.685 nan 8.150 nan 0.000 0.499 382 W N 4.782 125.724 121.300 -0.596 0.000 2.430 382 W HA 0.475 5.142 4.660 0.012 0.000 0.380 382 W C -1.476 174.697 176.519 -0.575 0.000 1.045 382 W CA -0.181 56.543 57.345 -1.034 0.000 1.547 382 W CB 0.645 29.560 29.460 -0.908 0.000 1.554 382 W HN 0.328 nan 8.180 nan 0.000 0.378 383 V N 6.680 126.511 119.914 -0.139 0.000 2.524 383 V HA 0.123 4.251 4.120 0.013 0.000 0.297 383 V C 0.557 176.697 176.094 0.076 0.000 1.035 383 V CA -0.568 61.735 62.300 0.005 0.000 0.867 383 V CB 1.844 33.647 31.823 -0.034 0.000 1.004 383 V HN 0.334 nan 8.190 nan 0.000 0.426 384 E N 1.666 121.934 120.200 0.115 0.000 2.447 384 E HA 0.023 4.381 4.350 0.013 0.000 0.195 384 E C 0.040 176.679 176.600 0.066 0.000 1.028 384 E CA 0.113 56.585 56.400 0.120 0.000 0.876 384 E CB 0.624 30.410 29.700 0.144 0.000 0.885 384 E HN 0.811 nan 8.360 nan 0.000 0.500 385 D N 0.304 120.734 120.400 0.051 0.000 2.249 385 D HA 0.022 4.670 4.640 0.013 0.000 0.246 385 D C 0.825 177.133 176.300 0.014 0.000 1.114 385 D CA -0.201 53.816 54.000 0.029 0.000 0.854 385 D CB 1.822 42.640 40.800 0.031 0.000 1.132 385 D HN -0.220 nan 8.370 nan 0.000 0.461 386 V N 3.932 123.840 119.914 -0.010 0.000 2.407 386 V HA -0.174 3.954 4.120 0.013 0.000 0.248 386 V C 1.113 177.161 176.094 -0.077 0.000 1.055 386 V CA 1.883 64.157 62.300 -0.043 0.000 1.049 386 V CB -0.307 31.484 31.823 -0.053 0.000 0.662 386 V HN 0.646 nan 8.190 nan 0.000 0.455 387 D N -0.297 120.073 120.400 -0.049 0.000 2.144 387 D HA -0.162 4.486 4.640 0.013 0.000 0.199 387 D C 1.900 178.192 176.300 -0.013 0.000 0.984 387 D CA 1.563 55.532 54.000 -0.052 0.000 0.834 387 D CB -0.322 40.466 40.800 -0.020 0.000 0.955 387 D HN 0.464 nan 8.370 nan 0.000 0.465 388 D N 0.088 120.512 120.400 0.040 0.000 2.117 388 D HA -0.114 4.534 4.640 0.013 0.000 0.197 388 D C 2.040 178.373 176.300 0.055 0.000 0.987 388 D CA 0.238 54.317 54.000 0.132 0.000 0.829 388 D CB -0.092 40.795 40.800 0.146 0.000 0.961 388 D HN 0.063 nan 8.370 nan 0.000 0.460 389 L N 1.035 122.253 121.223 -0.008 0.000 2.093 389 L HA -0.073 4.275 4.340 0.013 0.000 0.208 389 L C 2.015 178.832 176.870 -0.088 0.000 1.085 389 L CA 1.664 56.486 54.840 -0.031 0.000 0.755 389 L CB -0.373 41.683 42.059 -0.005 0.000 0.904 389 L HN -0.113 nan 8.230 nan 0.000 0.435 390 K N -0.777 119.490 120.400 -0.222 0.000 2.063 390 K HA -0.125 4.203 4.320 0.013 0.000 0.208 390 K C 2.005 178.487 176.600 -0.196 0.000 1.048 390 K CA 1.308 57.334 56.287 -0.434 0.000 0.928 390 K CB -0.766 31.312 32.500 -0.703 0.000 0.713 390 K HN 0.523 nan 8.250 nan 0.000 0.442 391 G N 0.977 109.700 108.800 -0.127 0.000 2.418 391 G HA2 -0.278 3.690 3.960 0.013 0.000 0.217 391 G HA3 -0.278 3.690 3.960 0.013 0.000 0.217 391 G C 1.337 175.995 174.900 -0.405 0.000 1.158 391 G CA 0.529 45.586 45.100 -0.071 0.000 0.771 391 G HN 0.243 nan 8.290 nan 0.000 0.545 392 F N 1.407 120.789 119.950 -0.947 0.000 2.069 392 F HA -0.067 4.469 4.527 0.014 0.000 0.298 392 F C 2.485 178.009 175.800 -0.460 0.000 1.113 392 F CA 1.403 58.752 58.000 -1.084 0.000 1.214 392 F CB -0.457 38.068 39.000 -0.792 0.000 0.978 392 F HN 0.058 nan 8.300 nan 0.000 0.474 393 L N 0.057 121.064 121.223 -0.360 0.000 2.043 393 L HA -0.277 4.071 4.340 0.013 0.000 0.212 393 L C 2.218 178.944 176.870 -0.241 0.000 1.075 393 L CA 1.686 56.366 54.840 -0.266 0.000 0.752 393 L CB -0.944 41.142 42.059 0.045 0.000 0.891 393 L HN 0.132 nan 8.230 nan 0.000 0.432 394 D N -0.791 119.523 120.400 -0.142 0.000 2.149 394 D HA -0.152 4.496 4.640 0.013 0.000 0.198 394 D C 2.165 178.350 176.300 -0.192 0.000 0.990 394 D CA 1.655 55.597 54.000 -0.097 0.000 0.839 394 D CB -0.255 40.538 40.800 -0.011 0.000 0.948 394 D HN 0.293 nan 8.370 nan 0.000 0.460 395 T N 0.133 114.491 114.554 -0.326 0.000 2.896 395 T HA -0.030 4.328 4.350 0.013 0.000 0.263 395 T C 2.234 176.625 174.700 -0.515 0.000 1.050 395 T CA 0.414 62.256 62.100 -0.429 0.000 1.140 395 T CB -0.097 68.490 68.868 -0.468 0.000 0.877 395 T HN -0.023 nan 8.240 nan 0.000 0.457 396 V N 0.775 120.358 119.914 -0.553 0.000 2.453 396 V HA 0.099 4.227 4.120 0.013 0.000 0.247 396 V C 2.171 178.144 176.094 -0.201 0.000 1.048 396 V CA 1.393 63.485 62.300 -0.347 0.000 1.049 396 V CB -1.351 30.202 31.823 -0.451 0.000 0.672 396 V HN 0.688 nan 8.190 nan 0.000 0.457 397 G N 1.438 110.116 108.800 -0.204 0.000 2.225 397 G HA2 -0.303 3.665 3.960 0.013 0.000 0.267 397 G HA3 -0.303 3.665 3.960 0.013 0.000 0.267 397 G C 0.112 174.939 174.900 -0.122 0.000 1.024 397 G CA 0.546 45.569 45.100 -0.130 0.000 0.784 397 G HN 0.526 nan 8.290 nan 0.000 0.507 398 N N 0.173 118.782 118.700 -0.152 0.000 2.444 398 N HA 0.429 5.177 4.740 0.013 0.000 0.262 398 N C -1.100 174.325 175.510 -0.142 0.000 0.974 398 N CA -1.833 51.124 53.050 -0.154 0.000 0.933 398 N CB 1.848 40.214 38.487 -0.203 0.000 1.137 398 N HN -0.084 nan 8.380 nan 0.000 0.498 399 P HA -0.032 nan 4.420 nan 0.000 0.221 399 P C 0.135 177.379 177.300 -0.093 0.000 1.145 399 P CA 0.978 64.017 63.100 -0.101 0.000 0.795 399 P CB 0.436 32.086 31.700 -0.082 0.000 0.775 400 D N -1.434 118.907 120.400 -0.099 0.000 2.355 400 D HA 0.014 4.662 4.640 0.013 0.000 0.218 400 D C 0.487 176.738 176.300 -0.082 0.000 1.004 400 D CA 0.241 54.208 54.000 -0.055 0.000 0.880 400 D CB -0.265 40.543 40.800 0.013 0.000 0.911 400 D HN 0.124 nan 8.370 nan 0.000 0.528 401 L N 1.735 122.881 121.223 -0.128 0.000 2.315 401 L HA 0.227 4.575 4.340 0.013 0.000 0.283 401 L C 0.202 177.010 176.870 -0.103 0.000 1.089 401 L CA -0.152 54.619 54.840 -0.115 0.000 0.833 401 L CB 0.242 42.229 42.059 -0.120 0.000 1.170 401 L HN -0.246 nan 8.230 nan 0.000 0.442 402 R N 3.506 123.907 120.500 -0.164 0.000 2.553 402 R HA 0.842 5.190 4.340 0.013 0.000 0.263 402 R C -0.936 175.281 176.300 -0.138 0.000 1.066 402 R CA -0.725 55.269 56.100 -0.177 0.000 1.135 402 R CB 1.475 31.574 30.300 -0.335 0.000 1.148 402 R HN 0.552 nan 8.270 nan 0.000 0.558 403 V N -1.815 118.035 119.914 -0.107 0.000 3.049 403 V HA 0.508 4.636 4.120 0.013 0.000 0.309 403 V C -0.606 175.428 176.094 -0.100 0.000 1.148 403 V CA -1.281 60.979 62.300 -0.067 0.000 0.990 403 V CB 1.421 33.300 31.823 0.094 0.000 1.039 403 V HN 0.523 nan 8.190 nan 0.000 0.430 404 F N 1.112 121.089 119.950 0.045 0.000 2.518 404 F HA 0.262 4.797 4.527 0.013 0.000 0.359 404 F C 1.141 177.014 175.800 0.120 0.000 1.118 404 F CA 0.428 58.419 58.000 -0.014 0.000 1.287 404 F CB 0.503 39.303 39.000 -0.333 0.000 1.132 404 F HN 0.674 nan 8.300 nan 0.000 0.587 405 D N 3.761 124.373 120.400 0.353 0.000 2.619 405 D HA 0.064 4.712 4.640 0.013 0.000 0.224 405 D C 0.952 177.313 176.300 0.102 0.000 1.133 405 D CA 0.118 54.233 54.000 0.191 0.000 1.017 405 D CB -0.383 40.479 40.800 0.104 0.000 1.077 405 D HN 0.338 nan 8.370 nan 0.000 0.503 406 F N 1.205 121.244 119.950 0.150 0.000 2.161 406 F HA -0.073 4.461 4.527 0.013 0.000 0.300 406 F C -0.546 175.185 175.800 -0.114 0.000 1.089 406 F CA 0.808 58.795 58.000 -0.021 0.000 1.282 406 F CB -1.158 37.767 39.000 -0.126 0.000 1.010 406 F HN 0.342 nan 8.300 nan 0.000 0.485 407 P HA -0.204 nan 4.420 nan 0.000 0.215 407 P C 1.933 179.149 177.300 -0.139 0.000 1.157 407 P CA 1.166 64.262 63.100 -0.008 0.000 0.868 407 P CB -0.065 31.634 31.700 -0.002 0.000 0.788 408 L N -0.047 121.046 121.223 -0.217 0.000 2.042 408 L HA -0.117 4.231 4.340 0.013 0.000 0.210 408 L C 2.435 178.833 176.870 -0.787 0.000 1.076 408 L CA 1.830 56.399 54.840 -0.451 0.000 0.749 408 L CB -1.016 40.804 42.059 -0.397 0.000 0.893 408 L HN -0.209 nan 8.230 nan 0.000 0.432 409 R N -0.669 119.423 120.500 -0.680 0.000 2.152 409 R HA -0.157 4.191 4.340 0.013 0.000 0.232 409 R C 2.403 178.465 176.300 -0.396 0.000 1.117 409 R CA 1.358 57.045 56.100 -0.688 0.000 0.981 409 R CB -0.276 29.607 30.300 -0.696 0.000 0.870 409 R HN 0.709 nan 8.270 nan 0.000 0.451 410 S N -0.427 115.126 115.700 -0.245 0.000 2.399 410 S HA -0.187 4.291 4.470 0.013 0.000 0.231 410 S C 1.768 176.270 174.600 -0.163 0.000 1.022 410 S CA 0.953 59.076 58.200 -0.128 0.000 0.983 410 S CB -0.544 62.628 63.200 -0.047 0.000 0.803 410 S HN 0.444 nan 8.310 nan 0.000 0.480 411 F N 1.573 121.298 119.950 -0.374 0.000 2.186 411 F HA 0.142 4.678 4.527 0.015 0.000 0.299 411 F C 1.785 177.457 175.800 -0.212 0.000 1.090 411 F CA 1.177 58.981 58.000 -0.327 0.000 1.307 411 F CB -0.318 38.414 39.000 -0.447 0.000 1.019 411 F HN 0.212 nan 8.300 nan 0.000 0.489 412 F N -1.196 118.712 119.950 -0.070 0.000 2.216 412 F HA -0.214 4.320 4.527 0.012 0.000 0.300 412 F C 2.222 177.887 175.800 -0.225 0.000 1.085 412 F CA 0.535 58.434 58.000 -0.169 0.000 1.326 412 F CB -0.740 38.120 39.000 -0.232 0.000 1.027 412 F HN -0.218 nan 8.300 nan 0.000 0.497 413 V N -0.015 119.868 119.914 -0.052 0.000 2.358 413 V HA -0.287 3.841 4.120 0.013 0.000 0.246 413 V C 2.112 178.113 176.094 -0.155 0.000 1.047 413 V CA 2.076 64.319 62.300 -0.096 0.000 1.035 413 V CB -0.509 31.279 31.823 -0.059 0.000 0.658 413 V HN 0.271 nan 8.190 nan 0.000 0.452 414 D N 0.171 120.428 120.400 -0.238 0.000 2.116 414 D HA -0.229 4.419 4.640 0.013 0.000 0.193 414 D C 2.100 178.226 176.300 -0.289 0.000 0.998 414 D CA 1.754 55.564 54.000 -0.317 0.000 0.836 414 D CB -0.213 40.252 40.800 -0.559 0.000 0.951 414 D HN 0.375 nan 8.370 nan 0.000 0.449 415 M N -0.377 119.045 119.600 -0.296 0.000 2.446 415 M HA -0.111 4.377 4.480 0.013 0.000 0.263 415 M C 2.159 178.371 176.300 -0.147 0.000 1.066 415 M CA 0.472 55.664 55.300 -0.180 0.000 1.087 415 M CB -0.058 32.500 32.600 -0.070 0.000 1.406 415 M HN 0.087 nan 8.290 nan 0.000 0.459 416 L N 0.830 121.942 121.223 -0.185 0.000 2.079 416 L HA -0.225 4.123 4.340 0.013 0.000 0.210 416 L C 1.772 178.570 176.870 -0.120 0.000 1.081 416 L CA 1.145 55.842 54.840 -0.238 0.000 0.752 416 L CB -0.686 41.164 42.059 -0.349 0.000 0.896 416 L HN 0.523 nan 8.230 nan 0.000 0.433 417 N N -0.437 118.217 118.700 -0.078 0.000 2.235 417 N HA 0.206 4.954 4.740 0.013 0.000 0.231 417 N C 0.195 175.685 175.510 -0.032 0.000 1.177 417 N CA 0.487 53.519 53.050 -0.029 0.000 0.874 417 N CB 0.758 39.241 38.487 -0.005 0.000 1.097 417 N HN 0.160 nan 8.380 nan 0.000 0.518 418 G N -0.878 107.890 108.800 -0.053 0.000 3.209 418 G HA2 0.416 4.384 3.960 0.013 0.000 0.686 418 G HA3 0.416 4.384 3.960 0.013 0.000 0.686 418 G C -0.854 174.003 174.900 -0.072 0.000 1.065 418 G CA -0.506 44.570 45.100 -0.040 0.000 0.812 418 G HN 0.640 nan 8.290 nan 0.000 0.573 419 A N 1.737 124.509 122.820 -0.081 0.000 2.389 419 A HA 0.870 5.198 4.320 0.013 0.000 0.293 419 A C -0.718 176.901 177.584 0.058 0.000 1.186 419 A CA -0.691 51.275 52.037 -0.118 0.000 0.828 419 A CB 1.373 20.119 19.000 -0.425 0.000 1.369 419 A HN 1.867 nan 8.150 nan 0.000 0.446 420 Y N 1.741 122.062 120.300 0.035 0.000 2.676 420 Y HA 0.241 4.798 4.550 0.012 0.000 0.338 420 Y C 1.127 177.176 175.900 0.248 0.000 1.057 420 Y CA -0.578 57.594 58.100 0.121 0.000 1.314 420 Y CB 0.561 39.078 38.460 0.095 0.000 1.164 420 Y HN 0.572 nan 8.280 nan 0.000 0.509 421 M N 2.902 122.497 119.600 -0.009 0.000 2.279 421 M HA -0.159 4.329 4.480 0.013 0.000 0.264 421 M C 2.146 178.508 176.300 0.104 0.000 1.062 421 M CA 1.313 56.698 55.300 0.142 0.000 1.099 421 M CB -1.171 31.488 32.600 0.098 0.000 1.394 421 M HN 0.812 nan 8.290 nan 0.000 0.426 422 A N 0.101 122.949 122.820 0.048 0.000 2.070 422 A HA -0.166 4.162 4.320 0.013 0.000 0.220 422 A C 1.635 179.327 177.584 0.180 0.000 1.159 422 A CA 1.612 53.760 52.037 0.184 0.000 0.656 422 A CB -0.619 18.496 19.000 0.192 0.000 0.800 422 A HN 0.384 nan 8.150 nan 0.000 0.453 423 D N -0.289 120.227 120.400 0.194 0.000 2.371 423 D HA -0.009 4.639 4.640 0.013 0.000 0.221 423 D C 1.500 177.586 176.300 -0.357 0.000 0.986 423 D CA 0.363 54.401 54.000 0.063 0.000 0.899 423 D CB -0.193 40.767 40.800 0.267 0.000 0.902 423 D HN 0.471 nan 8.370 nan 0.000 0.530 424 L N 0.207 121.031 121.223 -0.665 0.000 2.450 424 L HA -0.074 4.274 4.340 0.013 0.000 0.224 424 L C 2.421 178.945 176.870 -0.577 0.000 1.149 424 L CA 0.469 54.678 54.840 -1.052 0.000 0.816 424 L CB -0.128 41.030 42.059 -1.501 0.000 0.932 424 L HN -0.045 nan 8.230 nan 0.000 0.449 425 R N 0.303 120.692 120.500 -0.185 0.000 2.152 425 R HA -0.137 4.211 4.340 0.013 0.000 0.232 425 R C 0.994 177.295 176.300 0.000 0.000 1.117 425 R CA 1.351 57.502 56.100 0.085 0.000 0.981 425 R CB 0.115 30.527 30.300 0.188 0.000 0.870 425 R HN 0.411 nan 8.270 nan 0.000 0.451 426 N N -0.716 117.939 118.700 -0.076 0.000 2.170 426 N HA 0.132 4.880 4.740 0.013 0.000 0.222 426 N C -0.899 174.551 175.510 -0.100 0.000 1.218 426 N CA 0.170 53.189 53.050 -0.051 0.000 0.889 426 N CB 1.499 39.978 38.487 -0.013 0.000 1.083 426 N HN 0.112 nan 8.380 nan 0.000 0.520 427 A N 0.569 123.263 122.820 -0.209 0.000 2.354 427 A HA 0.670 4.998 4.320 0.013 0.000 0.269 427 A C 1.001 178.484 177.584 -0.168 0.000 1.109 427 A CA 0.422 52.310 52.037 -0.248 0.000 0.800 427 A CB 0.019 18.689 19.000 -0.551 0.000 1.045 427 A HN 0.287 nan 8.150 nan 0.000 0.489 428 G N -0.150 108.573 108.800 -0.130 0.000 2.730 428 G HA2 0.067 4.035 3.960 0.013 0.000 0.686 428 G HA3 0.067 4.035 3.960 0.013 0.000 0.686 428 G C 0.277 175.149 174.900 -0.046 0.000 1.343 428 G CA -0.042 44.998 45.100 -0.100 0.000 0.826 428 G HN 1.708 nan 8.290 nan 0.000 0.582 429 L N 0.810 122.021 121.223 -0.021 0.000 2.127 429 L HA 0.036 4.384 4.340 0.013 0.000 0.211 429 L C 2.938 179.827 176.870 0.032 0.000 1.089 429 L CA 2.701 57.543 54.840 0.004 0.000 0.757 429 L CB -0.339 41.737 42.059 0.029 0.000 0.899 429 L HN 1.104 nan 8.230 nan 0.000 0.434 430 V N -0.136 119.792 119.914 0.024 0.000 2.913 430 V HA -0.164 3.964 4.120 0.013 0.000 0.260 430 V C 1.474 177.578 176.094 0.017 0.000 1.098 430 V CA 1.594 63.911 62.300 0.028 0.000 1.121 430 V CB -0.653 31.185 31.823 0.025 0.000 0.714 430 V HN 0.612 nan 8.190 nan 0.000 0.487 431 N N -0.285 118.421 118.700 0.009 0.000 2.204 431 N HA 0.130 4.878 4.740 0.013 0.000 0.219 431 N C 0.228 175.754 175.510 0.027 0.000 1.151 431 N CA 0.178 53.235 53.050 0.012 0.000 0.867 431 N CB 0.862 39.345 38.487 -0.006 0.000 1.043 431 N HN 0.309 nan 8.380 nan 0.000 0.516 432 S N 2.184 117.911 115.700 0.045 0.000 2.410 432 S HA 0.363 4.841 4.470 0.013 0.000 0.304 432 S C -2.583 172.107 174.600 0.149 0.000 1.095 432 S CA -1.403 56.838 58.200 0.067 0.000 1.089 432 S CB 0.699 63.906 63.200 0.011 0.000 0.968 432 S HN -0.060 nan 8.310 nan 0.000 0.480 433 P HA 0.168 nan 4.420 nan 0.000 0.262 433 P C 0.948 178.344 177.300 0.160 0.000 1.182 433 P CA 1.109 64.275 63.100 0.111 0.000 0.761 433 P CB 0.345 32.091 31.700 0.076 0.000 0.795 434 G N 2.013 110.840 108.800 0.044 0.000 2.217 434 G HA2 -0.320 3.648 3.960 0.013 0.000 0.246 434 G HA3 -0.320 3.648 3.960 0.013 0.000 0.246 434 G C 0.426 175.123 174.900 -0.338 0.000 0.990 434 G CA -0.032 44.980 45.100 -0.147 0.000 0.627 434 G HN 0.521 nan 8.290 nan 0.000 0.522 435 Y N 0.277 120.570 120.300 -0.013 0.000 2.563 435 Y HA 0.390 4.948 4.550 0.014 0.000 0.250 435 Y C 2.072 177.966 175.900 -0.011 0.000 1.126 435 Y CA 0.513 58.604 58.100 -0.015 0.000 1.231 435 Y CB 0.425 38.878 38.460 -0.012 0.000 1.288 435 Y HN 0.298 nan 8.280 nan 0.000 0.537 436 E N 0.639 120.909 120.200 0.117 0.000 2.085 436 E HA -0.183 4.175 4.350 0.013 0.000 0.194 436 E C 1.385 178.014 176.600 0.049 0.000 0.994 436 E CA 1.518 57.961 56.400 0.072 0.000 0.801 436 E CB -0.145 29.581 29.700 0.042 0.000 0.743 436 E HN 0.307 nan 8.360 nan 0.000 0.453 437 N N 0.371 119.087 118.700 0.026 0.000 2.512 437 N HA -0.053 4.695 4.740 0.013 0.000 0.183 437 N C 0.846 176.364 175.510 0.013 0.000 1.073 437 N CA 0.575 53.634 53.050 0.015 0.000 0.911 437 N CB 0.115 38.600 38.487 -0.005 0.000 0.964 437 N HN 0.124 nan 8.380 nan 0.000 0.447 438 R N 0.085 120.598 120.500 0.021 0.000 2.359 438 R HA 0.310 4.658 4.340 0.013 0.000 0.231 438 R C 0.068 176.377 176.300 0.015 0.000 0.913 438 R CA -0.204 55.898 56.100 0.003 0.000 1.075 438 R CB 0.550 30.862 30.300 0.021 0.000 1.087 438 R HN 0.003 nan 8.270 nan 0.000 0.515 439 A N 1.012 123.857 122.820 0.042 0.000 2.328 439 A HA 0.398 4.726 4.320 0.013 0.000 0.284 439 A C -0.110 177.507 177.584 0.054 0.000 1.160 439 A CA -0.323 51.746 52.037 0.052 0.000 0.818 439 A CB 0.908 19.951 19.000 0.070 0.000 1.087 439 A HN 0.029 nan 8.150 nan 0.000 0.504 440 V N 3.844 123.778 119.914 0.033 0.000 2.311 440 V HA 0.356 4.484 4.120 0.013 0.000 0.275 440 V C 0.615 176.874 176.094 0.276 0.000 1.022 440 V CA -0.162 62.186 62.300 0.080 0.000 0.830 440 V CB 0.930 32.634 31.823 -0.199 0.000 1.012 440 V HN 1.053 nan 8.190 nan 0.000 0.452 441 T N 2.882 117.613 114.554 0.296 0.000 2.922 441 T HA 0.845 5.203 4.350 0.013 0.000 0.285 441 T C -0.605 174.380 174.700 0.475 0.000 1.005 441 T CA -0.462 61.835 62.100 0.330 0.000 1.061 441 T CB 1.536 70.531 68.868 0.213 0.000 1.007 441 T HN 0.688 nan 8.240 nan 0.000 0.502 442 F N -1.186 118.843 119.950 0.131 0.000 2.741 442 F HA 0.630 5.166 4.527 0.015 0.000 0.311 442 F C -0.563 175.235 175.800 -0.003 0.000 1.149 442 F CA -1.379 56.666 58.000 0.074 0.000 0.930 442 F CB 0.647 39.671 39.000 0.040 0.000 1.312 442 F HN 0.279 nan 8.300 nan 0.000 0.450 443 V N -0.636 119.116 119.914 -0.271 0.000 2.908 443 V HA 0.295 4.423 4.120 0.013 0.000 0.240 443 V C -0.409 175.504 176.094 -0.303 0.000 1.117 443 V CA 0.817 62.847 62.300 -0.449 0.000 1.133 443 V CB 0.130 31.446 31.823 -0.844 0.000 0.857 443 V HN 0.786 nan 8.190 nan 0.000 0.478 444 D N -0.414 119.954 120.400 -0.053 0.000 2.583 444 D HA 0.461 5.109 4.640 0.013 0.000 0.248 444 D C -1.196 174.922 176.300 -0.304 0.000 1.209 444 D CA -0.193 53.768 54.000 -0.066 0.000 0.848 444 D CB 2.708 43.513 40.800 0.009 0.000 1.431 444 D HN 0.391 nan 8.370 nan 0.000 0.436 445 N N -1.770 116.602 118.700 -0.548 0.000 3.278 445 N HA 0.098 4.846 4.740 0.013 0.000 0.307 445 N C 0.792 175.912 175.510 -0.650 0.000 1.551 445 N CA -0.432 52.098 53.050 -0.866 0.000 0.794 445 N CB 0.123 38.324 38.487 -0.477 0.000 1.770 445 N HN 0.366 nan 8.380 nan 0.000 0.612 446 H N -1.883 117.025 119.070 -0.269 0.000 2.545 446 H HA 0.118 4.682 4.556 0.014 0.000 0.282 446 H C -0.499 174.946 175.328 0.194 0.000 1.020 446 H CA 1.035 57.187 56.048 0.173 0.000 1.243 446 H CB -0.111 29.850 29.762 0.331 0.000 1.377 446 H HN 0.499 nan 8.280 nan 0.000 0.581 447 D N 0.796 120.933 120.400 -0.438 0.000 2.338 447 D HA -0.048 4.600 4.640 0.013 0.000 0.208 447 D C 2.056 178.482 176.300 0.209 0.000 0.997 447 D CA 1.766 55.727 54.000 -0.064 0.000 0.880 447 D CB 0.128 40.930 40.800 0.004 0.000 0.980 447 D HN 0.608 nan 8.370 nan 0.000 0.509 448 T N -2.400 112.214 114.554 0.101 0.000 3.057 448 T HA 0.010 4.368 4.350 0.013 0.000 0.254 448 T C 0.415 175.215 174.700 0.166 0.000 1.094 448 T CA 0.061 62.270 62.100 0.182 0.000 1.088 448 T CB 0.423 69.354 68.868 0.104 0.000 0.934 448 T HN -0.224 nan 8.240 nan 0.000 0.497 449 D N 1.540 122.045 120.400 0.174 0.000 2.400 449 D HA 0.309 4.957 4.640 0.013 0.000 0.272 449 D C -0.344 176.190 176.300 0.389 0.000 1.220 449 D CA -0.708 53.484 54.000 0.320 0.000 0.897 449 D CB 0.605 41.684 40.800 0.465 0.000 1.134 449 D HN 0.618 nan 8.370 nan 0.000 0.507 450 R N 0.812 121.486 120.500 0.289 0.000 2.867 450 R HA 0.580 4.928 4.340 0.013 0.000 0.268 450 R C -0.111 176.344 176.300 0.258 0.000 1.014 450 R CA -0.792 55.483 56.100 0.293 0.000 0.946 450 R CB 0.870 31.282 30.300 0.187 0.000 1.208 450 R HN -0.255 nan 8.270 nan 0.000 0.477 451 D N 0.415 120.990 120.400 0.293 0.000 2.117 451 D HA -0.115 4.533 4.640 0.013 0.000 0.198 451 D C -0.095 176.303 176.300 0.164 0.000 0.982 451 D CA 1.652 55.816 54.000 0.274 0.000 0.828 451 D CB 0.280 41.283 40.800 0.338 0.000 0.967 451 D HN 0.644 nan 8.370 nan 0.000 0.464 452 E N -1.745 118.527 120.200 0.119 0.000 2.314 452 E HA 0.468 4.826 4.350 0.013 0.000 0.272 452 E C 0.150 176.722 176.600 -0.047 0.000 0.884 452 E CA -0.820 55.607 56.400 0.045 0.000 0.753 452 E CB 2.126 31.868 29.700 0.069 0.000 1.213 452 E HN 0.010 nan 8.360 nan 0.000 0.432 453 G N 2.098 110.827 108.800 -0.119 0.000 2.176 453 G HA2 -0.298 3.670 3.960 0.013 0.000 0.252 453 G HA3 -0.298 3.670 3.960 0.013 0.000 0.252 453 G C 0.178 174.809 174.900 -0.448 0.000 1.024 453 G CA 0.342 45.279 45.100 -0.271 0.000 0.755 453 G HN 0.526 nan 8.290 nan 0.000 0.507 454 S N -1.331 114.218 115.700 -0.253 0.000 2.566 454 S HA 0.272 4.750 4.470 0.013 0.000 0.280 454 S C 1.096 175.498 174.600 -0.330 0.000 1.343 454 S CA 0.276 58.369 58.200 -0.179 0.000 1.036 454 S CB 0.303 63.510 63.200 0.012 0.000 0.866 454 S HN 0.340 nan 8.310 nan 0.000 0.526 455 Y N 0.641 120.938 120.300 -0.005 0.000 2.457 455 Y HA 0.233 4.791 4.550 0.013 0.000 0.263 455 Y C 1.408 177.341 175.900 0.054 0.000 1.164 455 Y CA 0.067 58.145 58.100 -0.037 0.000 1.274 455 Y CB 0.623 39.018 38.460 -0.108 0.000 1.097 455 Y HN 0.607 nan 8.280 nan 0.000 0.523 456 T N -1.727 112.974 114.554 0.245 0.000 2.769 456 T HA 0.374 4.732 4.350 0.013 0.000 0.306 456 T C -1.444 173.358 174.700 0.169 0.000 1.400 456 T CA -0.686 61.549 62.100 0.226 0.000 1.007 456 T CB 0.655 69.731 68.868 0.347 0.000 1.392 456 T HN -0.249 nan 8.240 nan 0.000 0.500 457 V N 3.264 123.268 119.914 0.151 0.000 2.811 457 V HA 0.592 4.720 4.120 0.013 0.000 0.302 457 V C 0.784 176.980 176.094 0.169 0.000 1.063 457 V CA 0.606 63.005 62.300 0.165 0.000 1.088 457 V CB 1.117 33.053 31.823 0.189 0.000 0.982 457 V HN 1.151 nan 8.190 nan 0.000 0.485 458 S N 6.879 122.700 115.700 0.201 0.000 2.624 458 S HA 0.406 4.884 4.470 0.013 0.000 0.263 458 S C -0.021 174.628 174.600 0.081 0.000 1.287 458 S CA -0.760 57.538 58.200 0.164 0.000 0.990 458 S CB 0.805 64.126 63.200 0.201 0.000 0.950 458 S HN 0.572 nan 8.310 nan 0.000 0.561 459 I N 2.752 123.314 120.570 -0.013 0.000 2.227 459 I HA 0.112 4.290 4.170 0.013 0.000 0.297 459 I C 0.499 176.513 176.117 -0.172 0.000 1.173 459 I CA -0.437 60.765 61.300 -0.164 0.000 1.356 459 I CB -1.560 36.327 38.000 -0.188 0.000 1.485 459 I HN 0.837 nan 8.210 nan 0.000 0.604 460 Y N 2.136 122.383 120.300 -0.089 0.000 2.511 460 Y HA 0.347 4.902 4.550 0.008 0.000 0.279 460 Y C 0.892 176.720 175.900 -0.120 0.000 1.157 460 Y CA -0.407 57.614 58.100 -0.132 0.000 1.300 460 Y CB 0.165 38.555 38.460 -0.116 0.000 1.052 460 Y HN 0.360 nan 8.280 nan 0.000 0.529 461 S N 0.601 116.101 115.700 -0.332 0.000 2.541 461 S HA 0.514 4.992 4.470 0.013 0.000 0.271 461 S C -0.340 174.142 174.600 -0.195 0.000 1.133 461 S CA -0.913 57.182 58.200 -0.174 0.000 0.876 461 S CB 1.017 64.139 63.200 -0.130 0.000 1.105 461 S HN 0.458 nan 8.310 nan 0.000 0.470 462 R N 1.160 121.602 120.500 -0.097 0.000 3.651 462 R HA -0.170 4.178 4.340 0.013 0.000 0.292 462 R C 1.051 177.232 176.300 -0.198 0.000 1.161 462 R CA 1.119 57.169 56.100 -0.083 0.000 0.787 462 R CB -1.805 28.453 30.300 -0.069 0.000 1.249 462 R HN 0.751 nan 8.270 nan 0.000 0.476 463 K N 0.394 120.650 120.400 -0.242 0.000 2.097 463 K HA -0.128 4.200 4.320 0.013 0.000 0.205 463 K C 1.408 177.815 176.600 -0.322 0.000 1.050 463 K CA 1.581 57.669 56.287 -0.332 0.000 0.938 463 K CB -0.093 32.238 32.500 -0.283 0.000 0.718 463 K HN 0.383 nan 8.250 nan 0.000 0.442 464 Y N 1.086 121.190 120.300 -0.326 0.000 2.165 464 Y HA -0.247 4.309 4.550 0.011 0.000 0.286 464 Y C 2.512 178.045 175.900 -0.611 0.000 1.155 464 Y CA 1.322 59.017 58.100 -0.675 0.000 1.164 464 Y CB -0.138 37.406 38.460 -1.526 0.000 0.978 464 Y HN 0.181 nan 8.280 nan 0.000 0.513 465 Q N 0.080 119.724 119.800 -0.260 0.000 2.096 465 Q HA -0.193 4.155 4.340 0.013 0.000 0.204 465 Q C 2.540 178.446 176.000 -0.156 0.000 0.982 465 Q CA 1.762 57.521 55.803 -0.073 0.000 0.850 465 Q CB -0.550 28.202 28.738 0.022 0.000 0.901 465 Q HN 0.512 nan 8.270 nan 0.000 0.422 466 A N -0.482 122.078 122.820 -0.433 0.000 1.877 466 A HA -0.211 4.117 4.320 0.013 0.000 0.216 466 A C 1.837 179.095 177.584 -0.542 0.000 1.186 466 A CA 1.440 52.906 52.037 -0.952 0.000 0.620 466 A CB -1.024 16.970 19.000 -1.677 0.000 0.822 466 A HN 0.473 nan 8.150 nan 0.000 0.443 467 Y N -0.112 119.988 120.300 -0.334 0.000 2.165 467 Y HA -0.169 4.389 4.550 0.013 0.000 0.286 467 Y C 2.934 178.800 175.900 -0.057 0.000 1.155 467 Y CA 1.068 59.076 58.100 -0.153 0.000 1.164 467 Y CB -0.295 38.086 38.460 -0.132 0.000 0.978 467 Y HN 0.358 nan 8.280 nan 0.000 0.513 468 A N -0.678 122.200 122.820 0.096 0.000 1.933 468 A HA -0.274 4.054 4.320 0.013 0.000 0.218 468 A C 1.989 179.669 177.584 0.159 0.000 1.175 468 A CA 1.725 53.846 52.037 0.139 0.000 0.628 468 A CB -1.280 17.837 19.000 0.194 0.000 0.814 468 A HN 0.633 nan 8.150 nan 0.000 0.444 469 Y N 1.252 121.568 120.300 0.027 0.000 2.145 469 Y HA -0.199 4.360 4.550 0.015 0.000 0.286 469 Y C 2.105 178.010 175.900 0.009 0.000 1.145 469 Y CA 2.073 60.186 58.100 0.021 0.000 1.148 469 Y CB -0.222 38.245 38.460 0.011 0.000 0.981 469 Y HN 0.436 nan 8.280 nan 0.000 0.507 470 I N -2.231 118.438 120.570 0.165 0.000 2.500 470 I HA -0.122 4.056 4.170 0.013 0.000 0.252 470 I C 1.724 177.867 176.117 0.044 0.000 1.142 470 I CA 1.263 62.624 61.300 0.100 0.000 1.451 470 I CB -0.556 37.567 38.000 0.206 0.000 1.093 470 I HN 0.172 nan 8.210 nan 0.000 0.430 471 L N 1.562 122.834 121.223 0.082 0.000 2.313 471 L HA -0.047 4.301 4.340 0.013 0.000 0.214 471 L C 2.583 179.456 176.870 0.006 0.000 1.119 471 L CA 1.561 56.438 54.840 0.060 0.000 0.809 471 L CB -0.582 41.527 42.059 0.083 0.000 0.933 471 L HN 0.480 nan 8.230 nan 0.000 0.449 472 T N -3.519 111.035 114.554 0.000 0.000 3.081 472 T HA 0.025 4.383 4.350 0.013 0.000 0.250 472 T C 1.026 175.746 174.700 0.032 0.000 1.100 472 T CA -0.311 61.804 62.100 0.026 0.000 1.038 472 T CB 0.036 68.969 68.868 0.109 0.000 0.962 472 T HN 0.044 nan 8.240 nan 0.000 0.516 473 R N 0.535 120.971 120.500 -0.107 0.000 2.594 473 R HA 0.580 4.928 4.340 0.013 0.000 0.272 473 R C 1.480 177.763 176.300 -0.028 0.000 1.074 473 R CA 0.362 56.370 56.100 -0.153 0.000 1.105 473 R CB 0.380 30.464 30.300 -0.359 0.000 1.008 473 R HN 0.226 nan 8.270 nan 0.000 0.472 474 A N 2.963 125.819 122.820 0.060 0.000 2.119 474 A HA 0.001 4.329 4.320 0.013 0.000 0.216 474 A C -0.102 177.471 177.584 -0.018 0.000 1.152 474 A CA 0.967 53.006 52.037 0.003 0.000 0.708 474 A CB -0.051 18.957 19.000 0.013 0.000 0.805 474 A HN 0.703 nan 8.150 nan 0.000 0.460 475 E N -2.078 118.110 120.200 -0.020 0.000 2.263 475 E HA 0.575 4.933 4.350 0.013 0.000 0.264 475 E C 0.241 176.842 176.600 0.001 0.000 0.923 475 E CA 0.272 56.667 56.400 -0.008 0.000 0.802 475 E CB 1.403 31.101 29.700 -0.003 0.000 1.228 475 E HN 0.793 nan 8.360 nan 0.000 0.417 476 G N -0.668 108.150 108.800 0.030 0.000 2.746 476 G HA2 -0.083 3.885 3.960 0.013 0.000 0.685 476 G HA3 -0.083 3.885 3.960 0.013 0.000 0.685 476 G C -1.107 173.850 174.900 0.095 0.000 1.350 476 G CA -0.593 44.545 45.100 0.063 0.000 0.837 476 G HN 0.485 nan 8.290 nan 0.000 0.564 477 V N 3.265 123.269 119.914 0.150 0.000 2.378 477 V HA 0.623 4.751 4.120 0.013 0.000 0.288 477 V C -1.676 174.559 176.094 0.235 0.000 1.016 477 V CA -0.954 61.471 62.300 0.208 0.000 0.840 477 V CB 1.936 33.942 31.823 0.306 0.000 0.994 477 V HN 0.779 nan 8.190 nan 0.000 0.431 478 P HA 0.439 nan 4.420 nan 0.000 0.284 478 P C -0.625 176.883 177.300 0.347 0.000 1.258 478 P CA -0.333 62.932 63.100 0.275 0.000 0.824 478 P CB 1.424 33.257 31.700 0.223 0.000 1.038 479 T N 0.839 115.651 114.554 0.430 0.000 2.848 479 T HA 0.355 4.713 4.350 0.013 0.000 0.285 479 T C -0.273 174.741 174.700 0.524 0.000 0.995 479 T CA -0.422 61.971 62.100 0.488 0.000 0.970 479 T CB 1.021 70.243 68.868 0.591 0.000 0.976 479 T HN 0.059 nan 8.240 nan 0.000 0.441 480 V N 3.841 124.037 119.914 0.469 0.000 2.439 480 V HA 0.328 4.456 4.120 0.013 0.000 0.282 480 V C -0.622 175.685 176.094 0.355 0.000 1.039 480 V CA -0.933 61.622 62.300 0.425 0.000 0.913 480 V CB 0.895 32.871 31.823 0.255 0.000 0.983 480 V HN 0.764 nan 8.190 nan 0.000 0.460 481 Y N 4.205 124.665 120.300 0.266 0.000 2.336 481 Y HA 0.140 4.698 4.550 0.012 0.000 0.335 481 Y C 0.769 176.754 175.900 0.140 0.000 1.046 481 Y CA -1.359 56.840 58.100 0.165 0.000 1.198 481 Y CB 0.789 39.382 38.460 0.222 0.000 1.182 481 Y HN 0.858 nan 8.280 nan 0.000 0.502 482 W N 6.062 127.265 121.300 -0.161 0.000 2.325 482 W HA -0.246 4.422 4.660 0.013 0.000 0.299 482 W C 1.392 177.629 176.519 -0.470 0.000 1.215 482 W CA 2.335 59.553 57.345 -0.211 0.000 1.244 482 W CB 0.066 29.468 29.460 -0.097 0.000 1.140 482 W HN 0.742 nan 8.180 nan 0.000 0.523 483 K N 0.196 120.111 120.400 -0.809 0.000 2.057 483 K HA -0.193 4.135 4.320 0.013 0.000 0.207 483 K C 1.617 177.821 176.600 -0.660 0.000 1.049 483 K CA 1.958 57.604 56.287 -1.068 0.000 0.931 483 K CB -0.301 31.342 32.500 -1.429 0.000 0.714 483 K HN -0.094 nan 8.250 nan 0.000 0.440 484 D N -0.508 119.739 120.400 -0.254 0.000 2.117 484 D HA -0.189 4.459 4.640 0.013 0.000 0.197 484 D C 1.675 177.955 176.300 -0.034 0.000 0.987 484 D CA 1.152 55.230 54.000 0.130 0.000 0.829 484 D CB -0.259 40.711 40.800 0.283 0.000 0.961 484 D HN 0.291 nan 8.370 nan 0.000 0.460 485 Y N -0.784 119.325 120.300 -0.319 0.000 2.184 485 Y HA -0.181 4.377 4.550 0.013 0.000 0.290 485 Y C 1.707 177.261 175.900 -0.577 0.000 1.129 485 Y CA 1.467 59.278 58.100 -0.482 0.000 1.144 485 Y CB 0.017 38.081 38.460 -0.660 0.000 0.995 485 Y HN -0.026 nan 8.280 nan 0.000 0.513 486 Y N -2.171 117.878 120.300 -0.418 0.000 2.498 486 Y HA 0.050 4.609 4.550 0.014 0.000 0.259 486 Y C 1.577 177.230 175.900 -0.412 0.000 1.086 486 Y CA -0.361 57.440 58.100 -0.499 0.000 1.287 486 Y CB 0.600 38.563 38.460 -0.827 0.000 1.146 486 Y HN 0.057 nan 8.280 nan 0.000 0.523 487 I N -2.167 118.199 120.570 -0.340 0.000 3.194 487 I HA -0.059 4.119 4.170 0.013 0.000 0.271 487 I C 1.222 177.239 176.117 -0.167 0.000 1.150 487 I CA 0.730 61.775 61.300 -0.424 0.000 1.440 487 I CB -1.147 36.334 38.000 -0.865 0.000 1.276 487 I HN 0.284 nan 8.210 nan 0.000 0.457 488 W N 1.830 123.078 121.300 -0.086 0.000 3.180 488 W HA 0.080 4.751 4.660 0.019 0.000 0.254 488 W C 0.272 176.770 176.519 -0.036 0.000 1.318 488 W CA -0.212 57.111 57.345 -0.037 0.000 1.608 488 W CB -0.108 29.326 29.460 -0.043 0.000 1.124 488 W HN 0.201 nan 8.180 nan 0.000 0.694 489 E N -0.415 119.858 120.200 0.122 0.000 2.416 489 E HA -0.269 4.089 4.350 0.013 0.000 0.249 489 E C 0.534 177.157 176.600 0.038 0.000 1.124 489 E CA 0.513 56.938 56.400 0.042 0.000 0.732 489 E CB -1.791 27.964 29.700 0.092 0.000 1.286 489 E HN 0.472 nan 8.360 nan 0.000 0.394 490 M N -0.443 119.154 119.600 -0.004 0.000 2.494 490 M HA 0.056 4.544 4.480 0.013 0.000 0.232 490 M C 1.962 178.239 176.300 -0.038 0.000 1.137 490 M CA 0.256 55.581 55.300 0.041 0.000 1.012 490 M CB 0.061 32.621 32.600 -0.067 0.000 1.567 490 M HN 0.105 nan 8.290 nan 0.000 0.486 491 K N 1.726 121.942 120.400 -0.307 0.000 2.044 491 K HA -0.221 4.107 4.320 0.013 0.000 0.210 491 K C 1.450 177.923 176.600 -0.211 0.000 1.049 491 K CA 1.892 57.830 56.287 -0.582 0.000 0.927 491 K CB 0.098 32.077 32.500 -0.868 0.000 0.713 491 K HN 0.402 nan 8.250 nan 0.000 0.443 492 E N -0.896 119.257 120.200 -0.078 0.000 2.077 492 E HA -0.150 4.208 4.350 0.013 0.000 0.193 492 E C 2.029 178.669 176.600 0.067 0.000 0.989 492 E CA 1.142 57.544 56.400 0.003 0.000 0.800 492 E CB -0.175 29.541 29.700 0.027 0.000 0.746 492 E HN 0.580 nan 8.360 nan 0.000 0.452 493 G N 0.980 109.859 108.800 0.132 0.000 2.394 493 G HA2 -0.188 3.780 3.960 0.013 0.000 0.215 493 G HA3 -0.188 3.780 3.960 0.013 0.000 0.215 493 G C 1.576 176.572 174.900 0.161 0.000 1.165 493 G CA 0.224 45.416 45.100 0.153 0.000 0.784 493 G HN 0.066 nan 8.290 nan 0.000 0.535 494 L N 0.546 121.868 121.223 0.165 0.000 2.083 494 L HA -0.061 4.287 4.340 0.013 0.000 0.209 494 L C 2.401 179.317 176.870 0.077 0.000 1.083 494 L CA 0.989 55.871 54.840 0.069 0.000 0.752 494 L CB -0.350 41.721 42.059 0.020 0.000 0.899 494 L HN 0.083 nan 8.230 nan 0.000 0.433 495 D N 0.385 120.841 120.400 0.094 0.000 2.182 495 D HA -0.168 4.480 4.640 0.013 0.000 0.201 495 D C 2.156 178.505 176.300 0.082 0.000 0.986 495 D CA 1.123 55.175 54.000 0.087 0.000 0.847 495 D CB -0.011 40.836 40.800 0.078 0.000 0.942 495 D HN 0.324 nan 8.370 nan 0.000 0.467 496 K N 0.138 120.598 120.400 0.100 0.000 2.057 496 K HA -0.040 4.288 4.320 0.013 0.000 0.207 496 K C 2.290 178.955 176.600 0.109 0.000 1.049 496 K CA 0.610 56.962 56.287 0.108 0.000 0.931 496 K CB -0.091 32.468 32.500 0.098 0.000 0.714 496 K HN 0.172 nan 8.250 nan 0.000 0.440 497 L N 0.806 122.095 121.223 0.110 0.000 2.093 497 L HA -0.158 4.190 4.340 0.013 0.000 0.208 497 L C 2.307 179.197 176.870 0.034 0.000 1.085 497 L CA 0.994 55.887 54.840 0.088 0.000 0.755 497 L CB -0.494 41.608 42.059 0.073 0.000 0.904 497 L HN 0.149 nan 8.230 nan 0.000 0.435 498 L N -0.795 120.419 121.223 -0.016 0.000 2.141 498 L HA -0.155 4.193 4.340 0.013 0.000 0.209 498 L C 2.627 179.461 176.870 -0.060 0.000 1.094 498 L CA 1.185 55.960 54.840 -0.108 0.000 0.763 498 L CB -0.814 41.107 42.059 -0.230 0.000 0.908 498 L HN 0.230 nan 8.230 nan 0.000 0.437 499 T N -0.018 114.562 114.554 0.043 0.000 2.708 499 T HA -0.208 4.150 4.350 0.013 0.000 0.266 499 T C 2.067 176.925 174.700 0.264 0.000 1.037 499 T CA 1.375 63.568 62.100 0.155 0.000 1.146 499 T CB -0.271 68.744 68.868 0.244 0.000 0.865 499 T HN 0.456 nan 8.240 nan 0.000 0.435 500 A N 1.708 124.665 122.820 0.228 0.000 1.892 500 A HA -0.193 4.135 4.320 0.013 0.000 0.218 500 A C 2.293 179.992 177.584 0.191 0.000 1.188 500 A CA 2.143 54.345 52.037 0.276 0.000 0.631 500 A CB -0.665 18.410 19.000 0.126 0.000 0.822 500 A HN 0.450 nan 8.150 nan 0.000 0.447 501 R N -0.915 119.610 120.500 0.042 0.000 2.073 501 R HA -0.179 4.169 4.340 0.013 0.000 0.234 501 R C 2.404 178.632 176.300 -0.119 0.000 1.134 501 R CA 1.818 57.874 56.100 -0.072 0.000 0.952 501 R CB -0.217 30.030 30.300 -0.088 0.000 0.850 501 R HN 0.412 nan 8.270 nan 0.000 0.433 502 R N -0.496 119.912 120.500 -0.154 0.000 2.092 502 R HA -0.129 4.219 4.340 0.013 0.000 0.231 502 R C 1.117 177.237 176.300 -0.299 0.000 1.119 502 R CA 1.898 57.792 56.100 -0.344 0.000 0.970 502 R CB -0.380 29.504 30.300 -0.694 0.000 0.864 502 R HN 0.431 nan 8.270 nan 0.000 0.440 503 Y N -2.861 117.445 120.300 0.010 0.000 2.483 503 Y HA 0.201 4.758 4.550 0.013 0.000 0.258 503 Y C 0.746 176.517 175.900 -0.214 0.000 1.083 503 Y CA 0.006 57.994 58.100 -0.187 0.000 1.283 503 Y CB 0.529 38.633 38.460 -0.593 0.000 1.178 503 Y HN -0.020 nan 8.280 nan 0.000 0.515 504 Y N -1.310 119.211 120.300 0.368 0.000 2.526 504 Y HA 0.447 5.006 4.550 0.014 0.000 0.265 504 Y C 1.344 177.301 175.900 0.095 0.000 1.092 504 Y CA -0.246 58.008 58.100 0.256 0.000 1.277 504 Y CB 0.280 38.841 38.460 0.168 0.000 1.228 504 Y HN -0.142 nan 8.280 nan 0.000 0.507 505 A N 0.860 123.641 122.820 -0.064 0.000 2.990 505 A HA 0.443 4.771 4.320 0.013 0.000 0.282 505 A C -1.330 175.788 177.584 -0.777 0.000 1.688 505 A CA 0.262 52.115 52.037 -0.306 0.000 1.391 505 A CB -1.645 17.198 19.000 -0.262 0.000 1.112 505 A HN 0.379 nan 8.150 nan 0.000 0.588 506 Y N -0.125 120.053 120.300 -0.204 0.000 2.581 506 Y HA 0.619 5.177 4.550 0.014 0.000 0.345 506 Y C 0.785 176.332 175.900 -0.589 0.000 1.036 506 Y CA -0.032 57.749 58.100 -0.532 0.000 1.042 506 Y CB 1.877 39.825 38.460 -0.852 0.000 1.289 506 Y HN 1.106 nan 8.280 nan 0.000 0.471 507 G N 1.326 109.731 108.800 -0.658 0.000 2.760 507 G HA2 -0.118 3.850 3.960 0.013 0.000 0.246 507 G HA3 -0.118 3.850 3.960 0.013 0.000 0.246 507 G C -3.149 171.666 174.900 -0.142 0.000 1.359 507 G CA -1.435 43.483 45.100 -0.304 0.000 0.861 507 G HN 0.434 nan 8.290 nan 0.000 0.541 508 P HA 0.456 nan 4.420 nan 0.000 0.270 508 P C 0.567 177.656 177.300 -0.352 0.000 1.223 508 P CA 0.801 63.767 63.100 -0.222 0.000 0.785 508 P CB 0.607 32.136 31.700 -0.286 0.000 0.923 509 G N 0.725 109.256 108.800 -0.448 0.000 2.371 509 G HA2 0.577 4.545 3.960 0.013 0.000 0.326 509 G HA3 0.577 4.545 3.960 0.013 0.000 0.326 509 G C -1.727 172.769 174.900 -0.673 0.000 1.127 509 G CA -0.280 44.525 45.100 -0.493 0.000 0.885 509 G HN 0.328 nan 8.290 nan 0.000 0.477 510 Y N 0.531 120.617 120.300 -0.358 0.000 2.425 510 Y HA 0.365 4.922 4.550 0.013 0.000 0.344 510 Y C 0.370 176.189 175.900 -0.136 0.000 0.969 510 Y CA -1.053 56.935 58.100 -0.186 0.000 1.052 510 Y CB 2.059 40.398 38.460 -0.202 0.000 1.215 510 Y HN 0.364 nan 8.280 nan 0.000 0.451 511 E N 2.015 122.308 120.200 0.155 0.000 2.349 511 E HA 0.418 4.776 4.350 0.013 0.000 0.262 511 E C -0.349 176.290 176.600 0.064 0.000 1.088 511 E CA -0.448 56.041 56.400 0.149 0.000 0.899 511 E CB 1.810 31.619 29.700 0.182 0.000 1.044 511 E HN 0.469 nan 8.360 nan 0.000 0.420 512 V N -1.583 118.339 119.914 0.014 0.000 3.093 512 V HA 0.411 4.539 4.120 0.013 0.000 0.320 512 V C -0.005 176.113 176.094 0.040 0.000 1.093 512 V CA -0.689 61.605 62.300 -0.011 0.000 1.016 512 V CB 1.676 33.454 31.823 -0.075 0.000 1.096 512 V HN 0.361 nan 8.190 nan 0.000 0.452 513 D N 1.215 121.650 120.400 0.057 0.000 2.402 513 D HA 0.137 4.785 4.640 0.013 0.000 0.216 513 D C 0.506 176.858 176.300 0.087 0.000 1.128 513 D CA 0.621 54.670 54.000 0.082 0.000 0.833 513 D CB -0.034 40.820 40.800 0.090 0.000 0.971 513 D HN 0.873 nan 8.370 nan 0.000 0.503 514 N N -0.387 118.359 118.700 0.078 0.000 2.365 514 N HA 0.043 4.791 4.740 0.013 0.000 0.257 514 N C -0.379 175.170 175.510 0.065 0.000 1.287 514 N CA -0.449 52.649 53.050 0.081 0.000 0.882 514 N CB -0.759 37.788 38.487 0.101 0.000 1.250 514 N HN -0.110 nan 8.380 nan 0.000 0.507 515 N N 0.590 119.328 118.700 0.064 0.000 2.381 515 N HA 0.191 4.939 4.740 0.013 0.000 0.241 515 N C -0.612 174.930 175.510 0.054 0.000 1.279 515 N CA 0.345 53.436 53.050 0.067 0.000 0.896 515 N CB 0.475 39.038 38.487 0.127 0.000 1.118 515 N HN 0.484 nan 8.380 nan 0.000 0.438 516 D N -1.348 119.048 120.400 -0.007 0.000 2.895 516 D HA 0.360 5.008 4.640 0.013 0.000 0.320 516 D C 0.104 176.178 176.300 -0.378 0.000 1.249 516 D CA -0.734 53.204 54.000 -0.103 0.000 0.997 516 D CB -0.027 40.756 40.800 -0.028 0.000 1.430 516 D HN 0.318 nan 8.370 nan 0.000 0.558 517 A N -0.736 121.777 122.820 -0.511 0.000 2.024 517 A HA -0.096 4.232 4.320 0.013 0.000 0.220 517 A C 1.029 178.440 177.584 -0.289 0.000 1.164 517 A CA 1.973 53.587 52.037 -0.705 0.000 0.643 517 A CB -0.597 18.244 19.000 -0.266 0.000 0.806 517 A HN 0.514 nan 8.150 nan 0.000 0.451 518 D N -1.860 118.463 120.400 -0.128 0.000 2.479 518 D HA 0.304 4.952 4.640 0.013 0.000 0.216 518 D C -0.039 176.282 176.300 0.034 0.000 1.110 518 D CA 0.190 54.176 54.000 -0.023 0.000 0.841 518 D CB 0.645 41.447 40.800 0.003 0.000 1.040 518 D HN 0.391 nan 8.370 nan 0.000 0.505 519 I N 0.696 121.289 120.570 0.038 0.000 2.533 519 I HA 0.272 4.450 4.170 0.013 0.000 0.290 519 I C -1.412 174.792 176.117 0.144 0.000 1.056 519 I CA -1.154 60.205 61.300 0.098 0.000 1.057 519 I CB 2.398 40.445 38.000 0.079 0.000 1.240 519 I HN -0.223 nan 8.210 nan 0.000 0.423 520 Y N 5.373 125.717 120.300 0.072 0.000 2.409 520 Y HA 0.658 5.214 4.550 0.011 0.000 0.343 520 Y C -0.723 175.251 175.900 0.124 0.000 0.973 520 Y CA -0.368 57.783 58.100 0.087 0.000 1.064 520 Y CB 1.825 40.335 38.460 0.083 0.000 1.207 520 Y HN 0.553 nan 8.280 nan 0.000 0.452 521 S N 4.900 120.256 115.700 -0.574 0.000 2.599 521 S HA 0.633 5.111 4.470 0.013 0.000 0.294 521 S C -2.148 172.130 174.600 -0.537 0.000 1.094 521 S CA -0.715 57.253 58.200 -0.386 0.000 0.931 521 S CB 2.037 65.121 63.200 -0.193 0.000 1.093 521 S HN 0.620 nan 8.310 nan 0.000 0.488 522 Y N 0.275 120.345 120.300 -0.384 0.000 2.521 522 Y HA 0.558 5.116 4.550 0.013 0.000 0.332 522 Y C -2.049 173.747 175.900 -0.173 0.000 1.121 522 Y CA -0.699 57.247 58.100 -0.255 0.000 1.037 522 Y CB 0.867 39.254 38.460 -0.122 0.000 1.330 522 Y HN 0.478 nan 8.280 nan 0.000 0.452 523 V N 6.595 126.130 119.914 -0.632 0.000 2.540 523 V HA 0.658 4.786 4.120 0.013 0.000 0.302 523 V C -0.777 174.991 176.094 -0.544 0.000 1.035 523 V CA -0.947 61.065 62.300 -0.481 0.000 0.873 523 V CB 1.698 33.331 31.823 -0.315 0.000 0.992 523 V HN 0.622 nan 8.190 nan 0.000 0.428 524 R N 2.415 122.721 120.500 -0.323 0.000 2.343 524 R HA 0.348 4.696 4.340 0.013 0.000 0.320 524 R C 1.055 177.325 176.300 -0.051 0.000 0.956 524 R CA -0.195 55.786 56.100 -0.198 0.000 0.836 524 R CB 1.701 31.912 30.300 -0.148 0.000 1.151 524 R HN 0.864 nan 8.270 nan 0.000 0.450 525 S N 0.735 116.456 115.700 0.035 0.000 2.522 525 S HA 0.065 4.543 4.470 0.013 0.000 0.227 525 S C 0.981 175.615 174.600 0.056 0.000 0.986 525 S CA 0.298 58.539 58.200 0.068 0.000 0.929 525 S CB -0.130 63.161 63.200 0.153 0.000 0.769 525 S HN 0.977 nan 8.310 nan 0.000 0.529 526 G N 0.621 109.424 108.800 0.005 0.000 2.781 526 G HA2 -0.153 3.815 3.960 0.013 0.000 0.683 526 G HA3 -0.153 3.815 3.960 0.013 0.000 0.683 526 G C -0.567 174.333 174.900 0.000 0.000 1.390 526 G CA -0.718 44.375 45.100 -0.011 0.000 0.850 526 G HN 0.399 nan 8.290 nan 0.000 0.557 527 F N 1.710 121.724 119.950 0.106 0.000 2.399 527 F HA 0.355 4.890 4.527 0.014 0.000 0.342 527 F C -0.012 175.815 175.800 0.044 0.000 1.106 527 F CA -1.281 56.757 58.000 0.063 0.000 1.196 527 F CB 1.639 40.654 39.000 0.025 0.000 1.163 527 F HN 0.338 nan 8.300 nan 0.000 0.547 528 P HA -0.163 nan 4.420 nan 0.000 0.220 528 P C 0.304 177.663 177.300 0.100 0.000 1.148 528 P CA 1.336 64.517 63.100 0.135 0.000 0.803 528 P CB 0.016 31.779 31.700 0.105 0.000 0.782 529 D N -1.012 119.445 120.400 0.095 0.000 2.368 529 D HA 0.088 4.736 4.640 0.013 0.000 0.218 529 D C 0.129 176.456 176.300 0.044 0.000 1.112 529 D CA -0.453 53.571 54.000 0.039 0.000 0.834 529 D CB -0.276 40.516 40.800 -0.014 0.000 0.953 529 D HN -0.006 nan 8.370 nan 0.000 0.505 530 V N 0.952 120.929 119.914 0.105 0.000 2.448 530 V HA 0.646 4.774 4.120 0.013 0.000 0.295 530 V C 0.159 176.303 176.094 0.083 0.000 1.025 530 V CA -1.377 60.981 62.300 0.095 0.000 0.859 530 V CB 1.409 33.332 31.823 0.167 0.000 0.988 530 V HN 0.314 nan 8.190 nan 0.000 0.431 531 A N 3.588 126.439 122.820 0.051 0.000 2.409 531 A HA 0.609 4.937 4.320 0.013 0.000 0.262 531 A C 1.350 178.966 177.584 0.053 0.000 1.113 531 A CA 0.638 52.702 52.037 0.043 0.000 0.790 531 A CB -0.035 18.980 19.000 0.025 0.000 1.046 531 A HN 2.138 nan 8.150 nan 0.000 0.496 532 G N 2.253 111.090 108.800 0.061 0.000 2.175 532 G HA2 -0.220 3.748 3.960 0.013 0.000 0.244 532 G HA3 -0.220 3.748 3.960 0.013 0.000 0.244 532 G C -0.020 174.992 174.900 0.186 0.000 0.982 532 G CA 0.517 45.672 45.100 0.091 0.000 0.641 532 G HN 1.203 nan 8.290 nan 0.000 0.527 533 D N 0.220 120.717 120.400 0.163 0.000 2.478 533 D HA 0.656 5.304 4.640 0.013 0.000 0.269 533 D C 0.858 177.312 176.300 0.257 0.000 1.232 533 D CA 0.506 54.652 54.000 0.244 0.000 1.059 533 D CB 0.581 41.475 40.800 0.156 0.000 1.104 533 D HN 1.672 nan 8.370 nan 0.000 0.566 534 G N -1.640 107.324 108.800 0.274 0.000 2.663 534 G HA2 0.443 4.411 3.960 0.013 0.000 0.686 534 G HA3 0.443 4.411 3.960 0.013 0.000 0.686 534 G C -1.156 173.891 174.900 0.246 0.000 1.246 534 G CA -0.351 44.868 45.100 0.198 0.000 0.795 534 G HN 1.265 nan 8.290 nan 0.000 0.627 535 L N -2.435 118.877 121.223 0.147 0.000 2.622 535 L HA 0.919 5.267 4.340 0.013 0.000 0.258 535 L C -0.545 176.288 176.870 -0.061 0.000 0.996 535 L CA -1.367 53.536 54.840 0.106 0.000 0.858 535 L CB 1.750 43.852 42.059 0.070 0.000 1.449 535 L HN 1.005 nan 8.230 nan 0.000 0.411 536 V N 2.208 122.033 119.914 -0.148 0.000 2.407 536 V HA 0.562 4.690 4.120 0.013 0.000 0.291 536 V C -0.406 175.644 176.094 -0.073 0.000 1.018 536 V CA -0.379 61.715 62.300 -0.342 0.000 0.842 536 V CB 1.342 32.537 31.823 -1.046 0.000 0.996 536 V HN 0.795 nan 8.190 nan 0.000 0.426 537 L N 6.399 127.619 121.223 -0.005 0.000 2.312 537 L HA 0.694 5.042 4.340 0.013 0.000 0.281 537 L C -0.331 176.611 176.870 0.120 0.000 1.070 537 L CA 0.379 55.294 54.840 0.125 0.000 0.805 537 L CB 1.103 43.293 42.059 0.218 0.000 1.174 537 L HN 0.658 nan 8.230 nan 0.000 0.434 538 M N 7.287 127.008 119.600 0.201 0.000 2.263 538 M HA 0.524 5.012 4.480 0.013 0.000 0.295 538 M C -0.999 175.454 176.300 0.256 0.000 1.028 538 M CA -0.462 54.956 55.300 0.197 0.000 0.921 538 M CB 2.002 34.738 32.600 0.227 0.000 1.601 538 M HN 0.611 nan 8.290 nan 0.000 0.440 539 I N 0.043 120.775 120.570 0.270 0.000 2.785 539 I HA 0.942 5.120 4.170 0.013 0.000 0.302 539 I C -0.634 175.625 176.117 0.236 0.000 1.069 539 I CA -0.641 60.834 61.300 0.291 0.000 1.045 539 I CB 2.466 40.659 38.000 0.321 0.000 1.236 539 I HN 0.713 nan 8.210 nan 0.000 0.429 540 S N 1.007 116.832 115.700 0.208 0.000 2.546 540 S HA 0.437 4.915 4.470 0.013 0.000 0.274 540 S C -0.551 174.126 174.600 0.128 0.000 1.121 540 S CA -0.535 57.755 58.200 0.151 0.000 0.887 540 S CB 1.853 65.126 63.200 0.123 0.000 1.094 540 S HN 0.831 nan 8.310 nan 0.000 0.474 541 D N 0.689 121.145 120.400 0.093 0.000 2.368 541 D HA 0.215 4.863 4.640 0.013 0.000 0.218 541 D C 0.864 177.194 176.300 0.049 0.000 1.112 541 D CA -0.191 53.848 54.000 0.065 0.000 0.834 541 D CB -0.392 40.435 40.800 0.044 0.000 0.953 541 D HN 0.735 nan 8.370 nan 0.000 0.505 542 G N -0.075 108.757 108.800 0.054 0.000 2.594 542 G HA2 0.344 4.312 3.960 0.013 0.000 0.243 542 G HA3 0.344 4.312 3.960 0.013 0.000 0.243 542 G C 0.708 175.632 174.900 0.041 0.000 1.229 542 G CA 0.271 45.397 45.100 0.043 0.000 0.843 542 G HN 0.239 nan 8.290 nan 0.000 0.578 543 T N -3.078 111.496 114.554 0.033 0.000 3.209 543 T HA 0.139 4.497 4.350 0.013 0.000 0.295 543 T C 1.756 176.471 174.700 0.025 0.000 0.977 543 T CA 0.594 62.712 62.100 0.030 0.000 0.922 543 T CB 0.030 68.915 68.868 0.029 0.000 1.152 543 T HN 0.613 nan 8.240 nan 0.000 0.527 544 S N 0.976 116.690 115.700 0.024 0.000 2.522 544 S HA 0.383 4.861 4.470 0.013 0.000 0.227 544 S C 2.133 176.743 174.600 0.017 0.000 0.986 544 S CA 0.523 58.735 58.200 0.020 0.000 0.929 544 S CB -0.735 62.478 63.200 0.020 0.000 0.769 544 S HN 1.456 nan 8.310 nan 0.000 0.529 545 G N 2.188 110.998 108.800 0.016 0.000 2.179 545 G HA2 -0.270 3.698 3.960 0.013 0.000 0.260 545 G HA3 -0.270 3.698 3.960 0.013 0.000 0.260 545 G C -0.148 174.757 174.900 0.009 0.000 0.977 545 G CA 0.095 45.202 45.100 0.010 0.000 0.641 545 G HN 0.844 nan 8.290 nan 0.000 0.533 546 N N -0.032 118.677 118.700 0.014 0.000 2.489 546 N HA 0.538 5.286 4.740 0.013 0.000 0.284 546 N C -0.020 175.503 175.510 0.023 0.000 1.158 546 N CA -0.505 52.555 53.050 0.016 0.000 0.965 546 N CB 1.882 40.380 38.487 0.018 0.000 1.195 546 N HN 0.143 nan 8.380 nan 0.000 0.506 547 V N 0.054 119.984 119.914 0.027 0.000 2.530 547 V HA 0.524 4.652 4.120 0.013 0.000 0.282 547 V C 0.551 176.674 176.094 0.049 0.000 1.048 547 V CA -0.456 61.871 62.300 0.045 0.000 0.997 547 V CB 0.254 32.108 31.823 0.052 0.000 0.987 547 V HN 0.960 nan 8.190 nan 0.000 0.477 548 A N 3.860 126.720 122.820 0.067 0.000 2.380 548 A HA 0.939 5.267 4.320 0.013 0.000 0.315 548 A C 0.061 177.695 177.584 0.082 0.000 1.101 548 A CA -0.151 51.925 52.037 0.065 0.000 0.771 548 A CB 1.859 20.897 19.000 0.062 0.000 1.287 548 A HN 1.028 nan 8.150 nan 0.000 0.436 549 G N 0.738 109.579 108.800 0.069 0.000 2.498 549 G HA2 0.655 4.623 3.960 0.013 0.000 0.312 549 G HA3 0.655 4.623 3.960 0.013 0.000 0.312 549 G C -1.242 173.713 174.900 0.092 0.000 1.230 549 G CA -0.601 44.544 45.100 0.074 0.000 0.968 549 G HN 0.517 nan 8.290 nan 0.000 0.481 550 K N 0.333 120.804 120.400 0.117 0.000 2.498 550 K HA 0.175 4.503 4.320 0.013 0.000 0.254 550 K C -1.509 175.234 176.600 0.240 0.000 0.933 550 K CA -0.601 55.779 56.287 0.155 0.000 0.806 550 K CB 2.671 35.236 32.500 0.108 0.000 1.301 550 K HN 0.712 nan 8.250 nan 0.000 0.432 551 W N 6.075 127.405 121.300 0.049 0.000 2.437 551 W HA 0.351 5.018 4.660 0.012 0.000 0.312 551 W C -0.970 175.654 176.519 0.175 0.000 1.242 551 W CA -0.321 57.083 57.345 0.099 0.000 1.340 551 W CB 0.268 29.769 29.460 0.068 0.000 1.327 551 W HN 0.433 nan 8.180 nan 0.000 0.476 552 I N 5.566 126.088 120.570 -0.081 0.000 2.608 552 I HA 0.090 4.268 4.170 0.013 0.000 0.295 552 I C 0.063 175.825 176.117 -0.592 0.000 1.049 552 I CA -0.929 60.236 61.300 -0.225 0.000 1.063 552 I CB 2.002 39.860 38.000 -0.237 0.000 1.248 552 I HN 0.299 nan 8.210 nan 0.000 0.424 553 N N 3.007 121.183 118.700 -0.873 0.000 2.439 553 N HA 0.044 4.792 4.740 0.013 0.000 0.243 553 N C 0.958 176.073 175.510 -0.657 0.000 1.088 553 N CA 0.002 52.359 53.050 -1.155 0.000 0.940 553 N CB 0.880 38.591 38.487 -1.294 0.000 1.180 553 N HN 0.656 nan 8.380 nan 0.000 0.505 554 S N 3.434 118.825 115.700 -0.514 0.000 2.474 554 S HA -0.071 4.407 4.470 0.013 0.000 0.235 554 S C 0.877 175.329 174.600 -0.247 0.000 0.997 554 S CA 0.282 58.248 58.200 -0.389 0.000 0.949 554 S CB -0.066 62.960 63.200 -0.291 0.000 0.766 554 S HN 0.674 nan 8.310 nan 0.000 0.517 555 R N 0.159 120.482 120.500 -0.294 0.000 3.951 555 R HA -0.118 4.230 4.340 0.013 0.000 0.352 555 R C -0.800 175.456 176.300 -0.074 0.000 1.178 555 R CA 1.397 57.360 56.100 -0.229 0.000 0.949 555 R CB -2.394 27.724 30.300 -0.303 0.000 1.452 555 R HN 0.728 nan 8.270 nan 0.000 0.540 556 Q N -0.211 119.593 119.800 0.006 0.000 2.674 556 Q HA 0.313 4.661 4.340 0.013 0.000 0.249 556 Q C -2.559 173.494 176.000 0.088 0.000 1.011 556 Q CA -2.015 53.839 55.803 0.085 0.000 0.734 556 Q CB 2.336 31.192 28.738 0.196 0.000 1.201 556 Q HN -0.064 nan 8.270 nan 0.000 0.498 557 P HA -0.102 nan 4.420 nan 0.000 0.266 557 P C -0.479 176.853 177.300 0.052 0.000 1.195 557 P CA 0.368 63.492 63.100 0.039 0.000 0.768 557 P CB 0.430 32.146 31.700 0.026 0.000 0.838 558 D N -0.349 120.085 120.400 0.056 0.000 2.686 558 D HA -0.134 4.514 4.640 0.013 0.000 0.235 558 D C -0.607 175.722 176.300 0.049 0.000 1.160 558 D CA 1.249 55.279 54.000 0.050 0.000 0.645 558 D CB -1.671 39.150 40.800 0.035 0.000 1.039 558 D HN 0.309 nan 8.370 nan 0.000 0.423 559 T N 0.586 115.191 114.554 0.085 0.000 2.841 559 T HA 0.338 4.696 4.350 0.013 0.000 0.283 559 T C 0.085 174.837 174.700 0.087 0.000 1.000 559 T CA -0.670 61.451 62.100 0.035 0.000 0.977 559 T CB 2.751 71.612 68.868 -0.012 0.000 0.979 559 T HN 0.102 nan 8.240 nan 0.000 0.446 560 E N 2.517 122.711 120.200 -0.009 0.000 2.200 560 E HA 0.448 4.806 4.350 0.013 0.000 0.283 560 E C -1.230 175.348 176.600 -0.036 0.000 1.015 560 E CA -0.419 56.012 56.400 0.052 0.000 0.819 560 E CB 0.532 30.254 29.700 0.037 0.000 1.081 560 E HN 0.392 nan 8.360 nan 0.000 0.397 561 F N 3.542 123.530 119.950 0.063 0.000 2.538 561 F HA 0.403 4.938 4.527 0.014 0.000 0.325 561 F C -0.351 175.590 175.800 0.235 0.000 1.066 561 F CA -0.693 57.421 58.000 0.189 0.000 0.946 561 F CB 1.199 40.425 39.000 0.377 0.000 1.199 561 F HN 0.416 nan 8.300 nan 0.000 0.473 562 Y N -0.988 119.449 120.300 0.227 0.000 2.605 562 Y HA 0.636 5.194 4.550 0.013 0.000 0.343 562 Y C -1.394 174.442 175.900 -0.107 0.000 1.036 562 Y CA -1.499 56.652 58.100 0.085 0.000 1.065 562 Y CB 1.397 39.727 38.460 -0.218 0.000 1.288 562 Y HN 0.489 nan 8.280 nan 0.000 0.481 563 D N 3.049 123.037 120.400 -0.687 0.000 2.428 563 D HA 0.126 4.774 4.640 0.013 0.000 0.221 563 D C 0.456 176.302 176.300 -0.758 0.000 1.123 563 D CA -0.625 52.674 54.000 -1.169 0.000 0.869 563 D CB 1.216 41.120 40.800 -1.492 0.000 1.032 563 D HN 0.678 nan 8.370 nan 0.000 0.506 564 L N 2.558 123.296 121.223 -0.808 0.000 2.551 564 L HA 0.093 4.441 4.340 0.013 0.000 0.228 564 L C 1.621 178.293 176.870 -0.331 0.000 1.153 564 L CA 1.394 55.921 54.840 -0.522 0.000 0.851 564 L CB -1.929 39.844 42.059 -0.478 0.000 0.959 564 L HN 0.403 nan 8.230 nan 0.000 0.451 565 T N -4.212 110.050 114.554 -0.487 0.000 3.088 565 T HA 0.344 4.702 4.350 0.013 0.000 0.259 565 T C 1.633 175.904 174.700 -0.715 0.000 1.122 565 T CA 0.505 62.212 62.100 -0.654 0.000 1.095 565 T CB -0.419 67.774 68.868 -1.124 0.000 0.930 565 T HN 0.778 nan 8.240 nan 0.000 0.508 566 G N 0.663 109.187 108.800 -0.459 0.000 2.179 566 G HA2 -0.335 3.633 3.960 0.013 0.000 0.260 566 G HA3 -0.335 3.633 3.960 0.013 0.000 0.260 566 G C 0.569 175.339 174.900 -0.217 0.000 0.977 566 G CA 0.681 45.623 45.100 -0.263 0.000 0.641 566 G HN 0.687 nan 8.290 nan 0.000 0.533 567 H N -0.629 118.259 119.070 -0.303 0.000 2.343 567 H HA 0.233 4.800 4.556 0.017 0.000 0.303 567 H C 1.107 176.339 175.328 -0.159 0.000 1.068 567 H CA 0.760 56.647 56.048 -0.270 0.000 1.359 567 H CB 0.295 29.820 29.762 -0.396 0.000 1.402 567 H HN 0.312 nan 8.280 nan 0.000 0.515 568 I N 1.803 122.348 120.570 -0.042 0.000 2.321 568 I HA 0.078 4.256 4.170 0.013 0.000 0.291 568 I C -0.043 176.099 176.117 0.041 0.000 0.998 568 I CA -0.143 61.184 61.300 0.046 0.000 1.227 568 I CB 1.479 39.593 38.000 0.189 0.000 1.368 568 I HN 0.134 nan 8.210 nan 0.000 0.466 569 K N 5.816 126.250 120.400 0.057 0.000 3.141 569 K HA 0.323 4.651 4.320 0.013 0.000 0.248 569 K C -0.424 176.205 176.600 0.049 0.000 1.282 569 K CA -0.029 56.272 56.287 0.024 0.000 1.251 569 K CB 0.369 32.853 32.500 -0.027 0.000 1.533 569 K HN 0.563 nan 8.250 nan 0.000 0.409 570 E N -0.476 119.829 120.200 0.175 0.000 2.413 570 E HA 0.292 4.650 4.350 0.013 0.000 0.277 570 E C -0.943 175.944 176.600 0.477 0.000 0.958 570 E CA -0.875 55.648 56.400 0.204 0.000 0.779 570 E CB 1.741 31.562 29.700 0.201 0.000 1.278 570 E HN 0.286 nan 8.360 nan 0.000 0.456 571 H N -0.304 118.894 119.070 0.212 0.000 2.525 571 H HA 0.528 5.091 4.556 0.013 0.000 0.340 571 H C -0.767 174.615 175.328 0.091 0.000 1.168 571 H CA -1.158 55.051 56.048 0.269 0.000 1.247 571 H CB 1.870 31.735 29.762 0.172 0.000 1.568 571 H HN 0.034 nan 8.280 nan 0.000 0.536 572 V N 2.184 122.172 119.914 0.124 0.000 2.409 572 V HA 0.183 4.311 4.120 0.013 0.000 0.291 572 V C -0.175 175.877 176.094 -0.070 0.000 1.020 572 V CA -0.573 61.569 62.300 -0.263 0.000 0.848 572 V CB 1.653 32.878 31.823 -0.997 0.000 0.990 572 V HN 0.805 nan 8.190 nan 0.000 0.430 573 T N 3.292 117.805 114.554 -0.068 0.000 2.791 573 T HA 0.429 4.787 4.350 0.013 0.000 0.288 573 T C 0.315 174.996 174.700 -0.031 0.000 0.999 573 T CA -0.422 61.692 62.100 0.024 0.000 0.952 573 T CB 1.220 70.116 68.868 0.046 0.000 0.938 573 T HN 0.902 nan 8.240 nan 0.000 0.444 574 T N 1.001 115.569 114.554 0.023 0.000 2.868 574 T HA 0.411 4.769 4.350 0.013 0.000 0.292 574 T C 0.287 175.001 174.700 0.023 0.000 1.028 574 T CA -0.931 61.155 62.100 -0.023 0.000 1.059 574 T CB 0.567 69.465 68.868 0.051 0.000 0.991 574 T HN 0.605 nan 8.240 nan 0.000 0.531 575 D N -0.024 120.391 120.400 0.025 0.000 2.478 575 D HA 0.203 4.851 4.640 0.013 0.000 0.274 575 D C 1.555 177.894 176.300 0.066 0.000 1.234 575 D CA -0.266 53.778 54.000 0.072 0.000 1.069 575 D CB 0.081 40.964 40.800 0.137 0.000 1.113 575 D HN 0.532 nan 8.370 nan 0.000 0.571 576 S N -1.465 114.277 115.700 0.070 0.000 2.474 576 S HA -0.142 4.336 4.470 0.013 0.000 0.235 576 S C 0.935 175.571 174.600 0.061 0.000 0.997 576 S CA 0.704 58.938 58.200 0.057 0.000 0.949 576 S CB -0.649 62.581 63.200 0.049 0.000 0.766 576 S HN 0.595 nan 8.310 nan 0.000 0.517 577 E N 0.459 120.716 120.200 0.095 0.000 2.481 577 E HA 0.389 4.747 4.350 0.013 0.000 0.198 577 E C 1.199 177.841 176.600 0.069 0.000 1.027 577 E CA 0.171 56.643 56.400 0.119 0.000 0.900 577 E CB 0.246 30.080 29.700 0.223 0.000 0.993 577 E HN 0.604 nan 8.360 nan 0.000 0.482 578 G N 0.746 109.557 108.800 0.018 0.000 2.175 578 G HA2 -0.287 3.681 3.960 0.013 0.000 0.244 578 G HA3 -0.287 3.681 3.960 0.013 0.000 0.244 578 G C -0.281 174.472 174.900 -0.246 0.000 0.982 578 G CA -0.303 44.736 45.100 -0.103 0.000 0.641 578 G HN 0.226 nan 8.290 nan 0.000 0.527 579 Y N 0.933 121.031 120.300 -0.336 0.000 2.299 579 Y HA 0.544 5.101 4.550 0.012 0.000 0.326 579 Y C 1.084 176.466 175.900 -0.862 0.000 1.164 579 Y CA 0.647 58.298 58.100 -0.748 0.000 1.234 579 Y CB 1.788 39.527 38.460 -1.201 0.000 1.219 579 Y HN 0.386 nan 8.280 nan 0.000 0.497 580 G N 1.381 109.716 108.800 -0.775 0.000 2.694 580 G HA2 0.191 4.159 3.960 0.013 0.000 0.290 580 G HA3 0.191 4.159 3.960 0.013 0.000 0.290 580 G C -1.601 172.961 174.900 -0.564 0.000 1.386 580 G CA -1.128 43.508 45.100 -0.773 0.000 0.872 580 G HN 0.618 nan 8.290 nan 0.000 0.475 581 N N 0.574 119.110 118.700 -0.273 0.000 2.645 581 N HA 0.304 5.052 4.740 0.013 0.000 0.233 581 N C -0.808 174.443 175.510 -0.432 0.000 1.058 581 N CA -0.334 52.684 53.050 -0.053 0.000 0.942 581 N CB 0.219 38.772 38.487 0.110 0.000 1.210 581 N HN 0.168 nan 8.380 nan 0.000 0.512 582 F N 1.991 121.725 119.950 -0.359 0.000 2.371 582 F HA 0.388 4.922 4.527 0.012 0.000 0.329 582 F C 0.800 176.429 175.800 -0.286 0.000 1.107 582 F CA -0.188 57.409 58.000 -0.673 0.000 1.137 582 F CB 1.033 39.545 39.000 -0.813 0.000 1.214 582 F HN 0.097 nan 8.300 nan 0.000 0.536 583 K N 0.868 121.313 120.400 0.074 0.000 2.395 583 K HA 0.823 5.151 4.320 0.013 0.000 0.247 583 K C -1.661 175.214 176.600 0.458 0.000 0.973 583 K CA -1.119 55.332 56.287 0.274 0.000 0.828 583 K CB 3.017 35.667 32.500 0.250 0.000 1.272 583 K HN 0.409 nan 8.250 nan 0.000 0.439 584 V N 2.366 122.442 119.914 0.269 0.000 3.120 584 V HA 0.449 4.577 4.120 0.013 0.000 0.303 584 V C -1.538 174.620 176.094 0.107 0.000 1.238 584 V CA -0.869 61.551 62.300 0.200 0.000 1.008 584 V CB 2.033 33.974 31.823 0.197 0.000 1.064 584 V HN 0.635 nan 8.190 nan 0.000 0.434 585 I N 4.468 125.061 120.570 0.038 0.000 2.395 585 I HA 0.367 4.545 4.170 0.013 0.000 0.289 585 I C 0.427 176.549 176.117 0.008 0.000 1.023 585 I CA -0.249 61.047 61.300 -0.007 0.000 1.350 585 I CB 1.095 39.038 38.000 -0.094 0.000 1.409 585 I HN 0.481 nan 8.210 nan 0.000 0.507 586 K N 5.822 126.235 120.400 0.023 0.000 2.155 586 K HA 0.187 4.515 4.320 0.013 0.000 0.240 586 K C -0.393 176.222 176.600 0.024 0.000 1.193 586 K CA -0.176 56.131 56.287 0.034 0.000 1.104 586 K CB 0.009 32.531 32.500 0.037 0.000 1.558 586 K HN 0.734 nan 8.250 nan 0.000 0.313 587 S N -1.130 114.584 115.700 0.023 0.000 2.588 587 S HA 0.169 4.647 4.470 0.013 0.000 0.275 587 S C 0.841 175.481 174.600 0.067 0.000 1.130 587 S CA -1.013 57.203 58.200 0.028 0.000 0.855 587 S CB 1.964 65.163 63.200 -0.002 0.000 1.116 587 S HN 0.490 nan 8.310 nan 0.000 0.472 588 E N 0.708 120.953 120.200 0.075 0.000 2.077 588 E HA -0.250 4.108 4.350 0.013 0.000 0.193 588 E C 1.074 177.780 176.600 0.177 0.000 0.989 588 E CA 1.914 58.378 56.400 0.107 0.000 0.800 588 E CB -0.229 29.519 29.700 0.079 0.000 0.746 588 E HN 0.805 nan 8.360 nan 0.000 0.452 589 D N -0.295 120.191 120.400 0.144 0.000 2.183 589 D HA -0.053 4.595 4.640 0.013 0.000 0.203 589 D C 0.982 177.416 176.300 0.224 0.000 0.969 589 D CA 1.053 55.174 54.000 0.201 0.000 0.842 589 D CB 0.270 41.136 40.800 0.110 0.000 0.957 589 D HN -0.000 nan 8.370 nan 0.000 0.484 590 K N -0.980 119.401 120.400 -0.032 0.000 2.536 590 K HA 0.286 4.614 4.320 0.013 0.000 0.203 590 K C 0.593 176.890 176.600 -0.506 0.000 1.063 590 K CA -0.049 55.888 56.287 -0.583 0.000 1.063 590 K CB 1.623 33.621 32.500 -0.838 0.000 0.843 590 K HN -0.045 nan 8.250 nan 0.000 0.521 591 G N 2.396 111.225 108.800 0.049 0.000 3.471 591 G HA2 0.019 3.987 3.960 0.013 0.000 0.254 591 G HA3 0.019 3.987 3.960 0.013 0.000 0.254 591 G C -0.478 174.631 174.900 0.348 0.000 1.199 591 G CA -0.356 44.830 45.100 0.143 0.000 1.683 591 G HN 0.261 nan 8.290 nan 0.000 0.625 592 W N -0.349 121.020 121.300 0.115 0.000 3.326 592 W HA 0.688 5.353 4.660 0.009 0.000 0.333 592 W C -1.233 175.402 176.519 0.192 0.000 1.108 592 W CA -1.660 55.780 57.345 0.158 0.000 1.245 592 W CB 0.014 29.570 29.460 0.160 0.000 1.331 592 W HN -0.074 nan 8.180 nan 0.000 0.464 593 S N 3.252 119.054 115.700 0.171 0.000 2.526 593 S HA 0.766 5.244 4.470 0.013 0.000 0.293 593 S C -0.727 173.841 174.600 -0.054 0.000 1.092 593 S CA -0.728 57.427 58.200 -0.076 0.000 0.980 593 S CB 2.030 65.179 63.200 -0.084 0.000 1.048 593 S HN 0.408 nan 8.310 nan 0.000 0.483 594 I N 2.259 122.667 120.570 -0.270 0.000 2.468 594 I HA 0.318 4.496 4.170 0.013 0.000 0.284 594 I C -1.485 174.421 176.117 -0.352 0.000 1.038 594 I CA -0.412 60.791 61.300 -0.163 0.000 1.083 594 I CB 1.262 39.216 38.000 -0.077 0.000 1.223 594 I HN 0.582 nan 8.210 nan 0.000 0.443 595 W N 7.098 128.328 121.300 -0.117 0.000 2.338 595 W HA 0.559 5.226 4.660 0.011 0.000 0.307 595 W C -0.023 176.515 176.519 0.031 0.000 1.167 595 W CA -0.557 56.758 57.345 -0.050 0.000 1.208 595 W CB 1.419 30.892 29.460 0.023 0.000 1.228 595 W HN 0.213 nan 8.180 nan 0.000 0.499 596 V N 1.775 121.762 119.914 0.122 0.000 3.040 596 V HA 0.711 4.839 4.120 0.013 0.000 0.312 596 V C -2.760 173.297 176.094 -0.061 0.000 1.115 596 V CA -3.672 58.594 62.300 -0.057 0.000 0.998 596 V CB 1.842 33.149 31.823 -0.860 0.000 1.042 596 V HN 0.237 nan 8.190 nan 0.000 0.433 597 P HA 0.173 nan 4.420 nan 0.000 0.268 597 P C 1.057 178.362 177.300 0.009 0.000 1.205 597 P CA 0.313 63.211 63.100 -0.336 0.000 0.771 597 P CB 0.825 32.344 31.700 -0.302 0.000 0.858 598 V N -0.052 119.848 119.914 -0.022 0.000 2.667 598 V HA -0.008 4.120 4.120 0.013 0.000 0.252 598 V C 0.654 176.735 176.094 -0.022 0.000 1.065 598 V CA 1.348 63.640 62.300 -0.014 0.000 1.083 598 V CB -0.914 30.825 31.823 -0.141 0.000 0.692 598 V HN 0.401 nan 8.190 nan 0.000 0.468 599 E N 0.000 120.185 120.200 -0.026 0.000 2.725 599 E HA 0.000 4.358 4.350 0.013 0.000 0.291 599 E CA 0.000 56.391 56.400 -0.015 0.000 0.976 599 E CB 0.000 29.684 29.700 -0.027 0.000 0.812 599 E HN 0.000 nan 8.360 nan 0.000 0.440