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 3bcf_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 0.000 174.751 174.600 0.252 0.000 1.055 15 S CA 0.000 58.342 58.200 0.237 0.000 1.107 15 S CB 0.000 63.350 63.200 0.249 0.000 0.593 16 L N 5.051 126.374 121.223 0.166 0.000 2.360 16 L HA 0.765 5.113 4.340 0.012 0.000 0.276 16 L C -0.864 176.169 176.870 0.271 0.000 1.121 16 L CA 0.545 55.425 54.840 0.066 0.000 0.845 16 L CB -0.511 41.546 42.059 -0.004 0.000 1.143 16 L HN 0.583 nan 8.230 nan 0.000 0.452 17 F N 3.093 123.143 119.950 0.168 0.000 2.686 17 F HA 0.502 5.038 4.527 0.015 0.000 0.311 17 F C -1.395 174.569 175.800 0.273 0.000 1.128 17 F CA -1.596 56.526 58.000 0.204 0.000 0.946 17 F CB 0.824 39.894 39.000 0.116 0.000 1.336 17 F HN 0.229 nan 8.300 nan 0.000 0.457 18 L N 3.155 124.603 121.223 0.374 0.000 2.315 18 L HA 0.412 4.760 4.340 0.012 0.000 0.283 18 L C 0.361 177.286 176.870 0.092 0.000 1.089 18 L CA 0.080 54.934 54.840 0.024 0.000 0.833 18 L CB 0.226 42.274 42.059 -0.019 0.000 1.170 18 L HN 0.779 nan 8.230 nan 0.000 0.442 19 I N 3.266 123.806 120.570 -0.051 0.000 2.233 19 I HA -0.040 4.137 4.170 0.012 0.000 0.243 19 I C 0.488 176.602 176.117 -0.004 0.000 1.093 19 I CA 0.704 62.037 61.300 0.055 0.000 1.380 19 I CB -0.114 37.873 38.000 -0.023 0.000 1.067 19 I HN 0.706 nan 8.210 nan 0.000 0.413 20 E N 0.179 120.315 120.200 -0.107 0.000 2.423 20 E HA 0.490 4.848 4.350 0.012 0.000 0.280 20 E C -1.145 175.355 176.600 -0.166 0.000 1.030 20 E CA -0.915 55.426 56.400 -0.098 0.000 0.812 20 E CB 1.739 31.399 29.700 -0.067 0.000 1.313 20 E HN 0.036 nan 8.360 nan 0.000 0.456 21 S N 0.020 115.647 115.700 -0.122 0.000 2.570 21 S HA 0.552 5.029 4.470 0.012 0.000 0.286 21 S C -0.882 173.662 174.600 -0.093 0.000 1.099 21 S CA -0.840 57.281 58.200 -0.132 0.000 0.913 21 S CB 2.009 65.143 63.200 -0.110 0.000 1.085 21 S HN 0.597 nan 8.310 nan 0.000 0.480 22 E N 2.214 122.356 120.200 -0.097 0.000 2.220 22 E HA 0.458 4.815 4.350 0.012 0.000 0.256 22 E C -2.623 173.906 176.600 -0.118 0.000 0.881 22 E CA -2.548 53.798 56.400 -0.090 0.000 0.766 22 E CB 1.687 31.343 29.700 -0.074 0.000 1.187 22 E HN 0.531 nan 8.360 nan 0.000 0.419 23 P HA 0.058 nan 4.420 nan 0.000 0.276 23 P C -0.344 176.903 177.300 -0.087 0.000 1.252 23 P CA -0.468 62.538 63.100 -0.157 0.000 0.802 23 P CB 1.311 32.835 31.700 -0.292 0.000 1.035 24 S N -0.553 115.121 115.700 -0.042 0.000 2.601 24 S HA 0.188 4.666 4.470 0.012 0.000 0.271 24 S C 0.276 174.897 174.600 0.035 0.000 1.305 24 S CA -0.175 58.019 58.200 -0.010 0.000 1.022 24 S CB -0.093 63.104 63.200 -0.004 0.000 0.940 24 S HN 0.549 nan 8.310 nan 0.000 0.525 25 T N 2.188 116.764 114.554 0.037 0.000 2.928 25 T HA 0.414 4.772 4.350 0.012 0.000 0.305 25 T C 1.331 176.070 174.700 0.065 0.000 1.035 25 T CA 1.358 63.497 62.100 0.065 0.000 1.145 25 T CB -0.249 68.617 68.868 -0.004 0.000 0.963 25 T HN 1.206 nan 8.240 nan 0.000 0.545 26 G N 2.603 111.461 108.800 0.096 0.000 2.195 26 G HA2 -0.094 3.873 3.960 0.012 0.000 0.246 26 G HA3 -0.094 3.873 3.960 0.012 0.000 0.246 26 G C 0.358 175.296 174.900 0.063 0.000 0.984 26 G CA 0.111 45.249 45.100 0.064 0.000 0.633 26 G HN 1.264 nan 8.290 nan 0.000 0.525 27 A N 0.115 122.997 122.820 0.103 0.000 2.386 27 A HA 0.691 5.019 4.320 0.012 0.000 0.248 27 A C 0.709 178.366 177.584 0.121 0.000 1.082 27 A CA 1.006 53.091 52.037 0.081 0.000 0.789 27 A CB 0.525 19.554 19.000 0.048 0.000 1.025 27 A HN 1.019 nan 8.150 nan 0.000 0.490 28 S N -0.144 115.609 115.700 0.089 0.000 2.442 28 S HA 0.518 4.996 4.470 0.012 0.000 0.297 28 S C -0.017 174.645 174.600 0.103 0.000 1.131 28 S CA -0.328 57.943 58.200 0.119 0.000 1.092 28 S CB 0.832 64.092 63.200 0.100 0.000 0.998 28 S HN 1.274 nan 8.310 nan 0.000 0.478 29 V N 1.358 121.347 119.914 0.124 0.000 3.046 29 V HA 0.809 4.937 4.120 0.012 0.000 0.316 29 V C 0.244 176.386 176.094 0.080 0.000 1.104 29 V CA -0.999 61.338 62.300 0.061 0.000 1.006 29 V CB 1.703 33.504 31.823 -0.036 0.000 1.058 29 V HN 0.683 nan 8.190 nan 0.000 0.440 30 S N 0.928 116.657 115.700 0.047 0.000 2.580 30 S HA 0.229 4.706 4.470 0.012 0.000 0.274 30 S C 1.128 175.763 174.600 0.058 0.000 1.329 30 S CA 0.203 58.434 58.200 0.052 0.000 1.036 30 S CB 0.833 64.055 63.200 0.035 0.000 0.919 30 S HN 1.098 nan 8.310 nan 0.000 0.515 31 K N 3.043 123.478 120.400 0.058 0.000 2.442 31 K HA -0.062 4.266 4.320 0.012 0.000 0.198 31 K C 0.657 177.290 176.600 0.055 0.000 1.044 31 K CA 1.710 58.038 56.287 0.068 0.000 0.948 31 K CB -0.517 32.012 32.500 0.049 0.000 0.762 31 K HN 0.655 nan 8.250 nan 0.000 0.472 32 N N 0.953 119.674 118.700 0.035 0.000 2.314 32 N HA 0.070 4.817 4.740 0.012 0.000 0.200 32 N C -0.668 174.847 175.510 0.009 0.000 1.135 32 N CA -0.488 52.572 53.050 0.016 0.000 0.835 32 N CB 0.235 38.726 38.487 0.006 0.000 0.989 32 N HN 0.086 nan 8.380 nan 0.000 0.478 33 L N 1.143 122.385 121.223 0.032 0.000 2.584 33 L HA -0.022 4.325 4.340 0.012 0.000 0.272 33 L C 1.415 178.306 176.870 0.035 0.000 1.195 33 L CA 0.845 55.703 54.840 0.030 0.000 0.920 33 L CB 0.797 42.870 42.059 0.022 0.000 1.173 33 L HN -0.041 nan 8.230 nan 0.000 0.489 34 T N 3.448 117.969 114.554 -0.055 0.000 3.037 34 T HA 0.191 4.549 4.350 0.012 0.000 0.251 34 T C 0.179 174.689 174.700 -0.316 0.000 1.079 34 T CA 0.730 62.703 62.100 -0.211 0.000 1.067 34 T CB -0.075 68.692 68.868 -0.170 0.000 0.948 34 T HN 0.824 nan 8.240 nan 0.000 0.496 35 E N -0.172 119.992 120.200 -0.059 0.000 2.412 35 E HA 0.528 4.885 4.350 0.012 0.000 0.279 35 E C -1.682 175.015 176.600 0.161 0.000 0.984 35 E CA -1.081 55.346 56.400 0.045 0.000 0.788 35 E CB 1.237 30.920 29.700 -0.029 0.000 1.277 35 E HN 0.188 nan 8.360 nan 0.000 0.455 36 I N 1.852 122.536 120.570 0.190 0.000 2.389 36 I HA 0.370 4.548 4.170 0.012 0.000 0.288 36 I C -0.695 175.438 176.117 0.028 0.000 0.999 36 I CA -0.771 60.568 61.300 0.065 0.000 1.129 36 I CB 1.413 39.458 38.000 0.075 0.000 1.288 36 I HN 0.416 nan 8.210 nan 0.000 0.444 37 I N 7.051 127.602 120.570 -0.032 0.000 2.359 37 I HA 0.379 4.556 4.170 0.012 0.000 0.294 37 I C -0.619 175.420 176.117 -0.129 0.000 0.987 37 I CA -0.454 60.810 61.300 -0.060 0.000 1.225 37 I CB 1.193 39.154 38.000 -0.065 0.000 1.366 37 I HN 0.289 nan 8.210 nan 0.000 0.466 38 L N 7.352 128.461 121.223 -0.190 0.000 2.305 38 L HA 0.552 4.900 4.340 0.012 0.000 0.284 38 L C -0.523 176.030 176.870 -0.529 0.000 1.013 38 L CA -0.494 54.093 54.840 -0.423 0.000 0.819 38 L CB 1.471 43.203 42.059 -0.545 0.000 1.227 38 L HN 0.469 nan 8.230 nan 0.000 0.417 39 I N 3.385 123.623 120.570 -0.553 0.000 2.312 39 I HA 0.339 4.516 4.170 0.012 0.000 0.290 39 I C -0.467 175.309 176.117 -0.568 0.000 1.008 39 I CA -0.183 60.867 61.300 -0.416 0.000 1.226 39 I CB 0.808 38.669 38.000 -0.231 0.000 1.371 39 I HN 0.375 nan 8.210 nan 0.000 0.468 40 F N 2.937 122.778 119.950 -0.180 0.000 2.450 40 F HA 0.205 4.739 4.527 0.012 0.000 0.328 40 F C 1.756 177.361 175.800 -0.324 0.000 1.068 40 F CA -0.343 57.511 58.000 -0.245 0.000 1.007 40 F CB 1.580 40.443 39.000 -0.228 0.000 1.251 40 F HN 0.536 nan 8.300 nan 0.000 0.492 41 S N 0.232 115.741 115.700 -0.319 0.000 2.368 41 S HA -0.069 4.408 4.470 0.012 0.000 0.225 41 S C 0.513 174.956 174.600 -0.260 0.000 1.030 41 S CA 0.862 58.741 58.200 -0.536 0.000 0.999 41 S CB -0.384 62.086 63.200 -1.216 0.000 0.844 41 S HN 0.595 nan 8.310 nan 0.000 0.459 42 N N 1.418 119.989 118.700 -0.214 0.000 2.525 42 N HA 0.427 5.174 4.740 0.012 0.000 0.288 42 N C -1.413 173.982 175.510 -0.191 0.000 1.242 42 N CA -0.665 52.244 53.050 -0.234 0.000 0.905 42 N CB 0.454 38.703 38.487 -0.395 0.000 1.258 42 N HN 0.142 nan 8.380 nan 0.000 0.551 43 D N 0.464 120.739 120.400 -0.208 0.000 2.399 43 D HA 0.182 4.830 4.640 0.012 0.000 0.241 43 D C 0.011 176.200 176.300 -0.186 0.000 1.133 43 D CA 0.242 54.154 54.000 -0.146 0.000 0.890 43 D CB 0.759 41.495 40.800 -0.106 0.000 1.201 43 D HN 0.211 nan 8.370 nan 0.000 0.432 44 I N 2.767 123.255 120.570 -0.136 0.000 2.354 44 I HA 0.064 4.241 4.170 0.012 0.000 0.292 44 I C 1.268 177.312 176.117 -0.122 0.000 0.989 44 I CA -0.376 60.819 61.300 -0.175 0.000 1.188 44 I CB 1.337 39.227 38.000 -0.182 0.000 1.342 44 I HN 0.303 nan 8.210 nan 0.000 0.457 45 N N 5.626 124.245 118.700 -0.134 0.000 2.368 45 N HA -0.006 4.741 4.740 0.012 0.000 0.176 45 N C 0.188 175.656 175.510 -0.069 0.000 1.021 45 N CA 1.253 54.253 53.050 -0.083 0.000 0.888 45 N CB 0.610 39.052 38.487 -0.076 0.000 0.995 45 N HN 0.628 nan 8.380 nan 0.000 0.437 46 K N -1.016 119.316 120.400 -0.113 0.000 2.568 46 K HA 0.387 4.715 4.320 0.012 0.000 0.273 46 K C -1.969 174.533 176.600 -0.164 0.000 0.951 46 K CA -0.698 55.532 56.287 -0.094 0.000 0.854 46 K CB 1.960 34.405 32.500 -0.091 0.000 1.424 46 K HN -0.243 nan 8.250 nan 0.000 0.427 47 V N 3.563 123.374 119.914 -0.172 0.000 2.304 47 V HA 0.107 4.234 4.120 0.012 0.000 0.278 47 V C 0.826 176.797 176.094 -0.205 0.000 1.018 47 V CA -0.242 61.877 62.300 -0.301 0.000 0.814 47 V CB 0.951 32.331 31.823 -0.738 0.000 1.021 47 V HN 0.973 nan 8.190 nan 0.000 0.440 48 S N 3.318 118.937 115.700 -0.136 0.000 2.362 48 S HA 0.051 4.529 4.470 0.012 0.000 0.221 48 S C 0.657 175.234 174.600 -0.039 0.000 1.032 48 S CA 0.323 58.483 58.200 -0.065 0.000 0.973 48 S CB 0.172 63.341 63.200 -0.052 0.000 0.849 48 S HN 0.671 nan 8.310 nan 0.000 0.465 49 Q N -0.158 119.617 119.800 -0.042 0.000 2.372 49 Q HA 0.718 5.065 4.340 0.012 0.000 0.273 49 Q C -2.240 173.755 176.000 -0.009 0.000 1.078 49 Q CA -0.821 54.974 55.803 -0.013 0.000 0.806 49 Q CB 1.967 30.708 28.738 0.005 0.000 1.332 49 Q HN 0.308 nan 8.270 nan 0.000 0.435 50 L N 2.157 123.387 121.223 0.011 0.000 2.493 50 L HA 0.901 5.249 4.340 0.012 0.000 0.265 50 L C -2.072 174.839 176.870 0.070 0.000 0.954 50 L CA -0.055 54.813 54.840 0.046 0.000 0.844 50 L CB 2.166 44.223 42.059 -0.004 0.000 1.302 50 L HN 0.687 nan 8.230 nan 0.000 0.405 51 A N 4.107 126.975 122.820 0.079 0.000 2.520 51 A HA 0.784 5.111 4.320 0.012 0.000 0.298 51 A C -2.212 175.413 177.584 0.068 0.000 1.051 51 A CA -0.479 51.597 52.037 0.067 0.000 0.690 51 A CB 1.692 20.716 19.000 0.040 0.000 1.281 51 A HN 0.755 nan 8.150 nan 0.000 0.402 52 L N 1.974 123.230 121.223 0.055 0.000 2.294 52 L HA 0.726 5.074 4.340 0.012 0.000 0.283 52 L C -0.513 176.387 176.870 0.049 0.000 1.015 52 L CA 0.353 55.208 54.840 0.025 0.000 0.831 52 L CB 1.441 43.468 42.059 -0.054 0.000 1.217 52 L HN 0.641 nan 8.230 nan 0.000 0.420 53 T N 2.840 117.425 114.554 0.051 0.000 2.807 53 T HA 0.282 4.639 4.350 0.012 0.000 0.279 53 T C -0.791 173.930 174.700 0.036 0.000 0.993 53 T CA -0.510 61.611 62.100 0.036 0.000 0.970 53 T CB 1.291 70.142 68.868 -0.028 0.000 0.950 53 T HN 0.537 nan 8.240 nan 0.000 0.441 54 D N 2.688 123.083 120.400 -0.008 0.000 2.339 54 D HA 0.102 4.750 4.640 0.012 0.000 0.256 54 D C 0.747 176.894 176.300 -0.255 0.000 1.214 54 D CA -0.367 53.468 54.000 -0.275 0.000 0.877 54 D CB 0.732 41.426 40.800 -0.177 0.000 1.111 54 D HN 0.457 nan 8.370 nan 0.000 0.478 55 L N 3.999 125.029 121.223 -0.322 0.000 2.492 55 L HA -0.043 4.305 4.340 0.012 0.000 0.223 55 L C 1.748 178.484 176.870 -0.224 0.000 1.132 55 L CA -0.144 54.558 54.840 -0.230 0.000 0.850 55 L CB -0.034 41.898 42.059 -0.212 0.000 0.966 55 L HN 0.470 nan 8.230 nan 0.000 0.454 56 I N -0.224 120.175 120.570 -0.285 0.000 2.296 56 I HA -0.143 4.035 4.170 0.012 0.000 0.242 56 I C 2.634 178.628 176.117 -0.206 0.000 1.087 56 I CA 1.863 62.977 61.300 -0.309 0.000 1.393 56 I CB -1.632 36.083 38.000 -0.476 0.000 1.093 56 I HN 0.288 nan 8.210 nan 0.000 0.421 57 T N -2.232 112.218 114.554 -0.172 0.000 3.113 57 T HA -0.018 4.340 4.350 0.012 0.000 0.256 57 T C 0.842 175.488 174.700 -0.089 0.000 1.131 57 T CA 0.420 62.455 62.100 -0.109 0.000 1.074 57 T CB -0.314 68.505 68.868 -0.081 0.000 0.944 57 T HN 0.252 nan 8.240 nan 0.000 0.516 58 D N 1.640 121.977 120.400 -0.105 0.000 2.708 58 D HA -0.161 4.486 4.640 0.012 0.000 0.236 58 D C -0.555 175.712 176.300 -0.055 0.000 1.146 58 D CA 0.804 54.755 54.000 -0.082 0.000 0.662 58 D CB -1.475 39.281 40.800 -0.072 0.000 1.059 58 D HN 0.765 nan 8.370 nan 0.000 0.428 59 S N -0.468 115.205 115.700 -0.045 0.000 2.502 59 S HA 0.604 5.082 4.470 0.012 0.000 0.304 59 S C -0.543 174.061 174.600 0.006 0.000 1.097 59 S CA -1.190 57.000 58.200 -0.016 0.000 1.045 59 S CB 2.174 65.369 63.200 -0.009 0.000 1.019 59 S HN 0.011 nan 8.310 nan 0.000 0.481 60 D N 2.266 122.675 120.400 0.014 0.000 2.350 60 D HA 0.255 4.903 4.640 0.012 0.000 0.249 60 D C 0.239 176.571 176.300 0.052 0.000 1.119 60 D CA -0.305 53.714 54.000 0.033 0.000 0.886 60 D CB 0.521 41.338 40.800 0.028 0.000 1.195 60 D HN 0.403 nan 8.370 nan 0.000 0.437 61 I N 3.055 123.668 120.570 0.072 0.000 2.581 61 I HA -0.054 4.123 4.170 0.012 0.000 0.285 61 I C 0.844 177.010 176.117 0.081 0.000 1.129 61 I CA -0.147 61.203 61.300 0.084 0.000 1.397 61 I CB -0.406 37.651 38.000 0.095 0.000 1.399 61 I HN 0.080 nan 8.210 nan 0.000 0.537 62 Q N 4.375 124.217 119.800 0.070 0.000 2.304 62 Q HA 0.382 4.730 4.340 0.012 0.000 0.260 62 Q C 1.125 177.168 176.000 0.072 0.000 0.965 62 Q CA 0.368 56.209 55.803 0.064 0.000 0.898 62 Q CB 1.131 29.898 28.738 0.048 0.000 1.196 62 Q HN 0.958 nan 8.270 nan 0.000 0.402 63 G N 2.028 110.873 108.800 0.074 0.000 2.131 63 G HA2 -0.235 3.733 3.960 0.012 0.000 0.223 63 G HA3 -0.235 3.733 3.960 0.012 0.000 0.223 63 G C 0.278 175.229 174.900 0.086 0.000 0.990 63 G CA 0.166 45.306 45.100 0.066 0.000 0.671 63 G HN 0.693 nan 8.290 nan 0.000 0.521 64 I N -1.599 119.048 120.570 0.129 0.000 2.836 64 I HA 0.625 4.803 4.170 0.012 0.000 0.285 64 I C -0.392 175.815 176.117 0.150 0.000 1.174 64 I CA -0.349 61.059 61.300 0.179 0.000 1.405 64 I CB 0.689 38.836 38.000 0.245 0.000 1.385 64 I HN -0.060 nan 8.210 nan 0.000 0.594 65 D N 3.678 124.157 120.400 0.131 0.000 2.423 65 D HA 0.514 5.162 4.640 0.012 0.000 0.235 65 D C -1.200 175.194 176.300 0.156 0.000 1.011 65 D CA 0.031 54.071 54.000 0.068 0.000 0.963 65 D CB 2.118 42.898 40.800 -0.032 0.000 1.349 65 D HN 0.692 nan 8.370 nan 0.000 0.508 66 Y N -1.153 119.173 120.300 0.043 0.000 2.615 66 Y HA 0.668 5.226 4.550 0.013 0.000 0.341 66 Y C -1.481 174.431 175.900 0.020 0.000 1.089 66 Y CA -1.170 56.954 58.100 0.041 0.000 1.049 66 Y CB 1.575 40.066 38.460 0.052 0.000 1.296 66 Y HN 0.217 nan 8.280 nan 0.000 0.470 67 N N 1.212 120.025 118.700 0.188 0.000 2.425 67 N HA 0.440 5.187 4.740 0.012 0.000 0.289 67 N C -2.136 173.464 175.510 0.151 0.000 1.074 67 N CA -0.439 52.660 53.050 0.081 0.000 0.905 67 N CB 1.656 40.141 38.487 -0.002 0.000 1.586 67 N HN 0.800 nan 8.380 nan 0.000 0.490 68 I N 2.065 122.723 120.570 0.147 0.000 2.371 68 I HA 0.226 4.403 4.170 0.012 0.000 0.290 68 I C 0.031 176.177 176.117 0.048 0.000 1.028 68 I CA 0.011 61.372 61.300 0.103 0.000 1.345 68 I CB 0.943 39.000 38.000 0.094 0.000 1.407 68 I HN 0.444 nan 8.210 nan 0.000 0.501 69 E N 5.053 125.274 120.200 0.036 0.000 2.518 69 E HA 0.378 4.735 4.350 0.012 0.000 0.240 69 E C 0.575 177.180 176.600 0.007 0.000 0.996 69 E CA -0.189 56.219 56.400 0.015 0.000 0.768 69 E CB 1.433 31.138 29.700 0.008 0.000 1.329 69 E HN 0.875 nan 8.360 nan 0.000 0.408 70 G N 4.152 112.952 108.800 -0.001 0.000 2.646 70 G HA2 -0.449 3.519 3.960 0.012 0.000 0.324 70 G HA3 -0.449 3.519 3.960 0.012 0.000 0.324 70 G C 0.764 175.656 174.900 -0.014 0.000 1.195 70 G CA 0.790 45.883 45.100 -0.011 0.000 0.976 70 G HN 0.635 nan 8.290 nan 0.000 0.546 71 N N 1.663 120.358 118.700 -0.009 0.000 2.270 71 N HA 0.147 4.894 4.740 0.012 0.000 0.198 71 N C 0.424 175.978 175.510 0.073 0.000 1.117 71 N CA 0.730 53.788 53.050 0.013 0.000 0.845 71 N CB 0.284 38.759 38.487 -0.020 0.000 0.980 71 N HN 0.714 nan 8.380 nan 0.000 0.486 72 K N 0.139 120.565 120.400 0.043 0.000 2.208 72 K HA 0.562 4.889 4.320 0.012 0.000 0.247 72 K C -1.053 175.589 176.600 0.069 0.000 0.953 72 K CA -0.883 55.420 56.287 0.026 0.000 0.837 72 K CB 2.863 35.354 32.500 -0.016 0.000 1.131 72 K HN -0.202 nan 8.250 nan 0.000 0.431 73 V N 3.518 123.469 119.914 0.062 0.000 2.483 73 V HA 0.358 4.485 4.120 0.012 0.000 0.297 73 V C -0.803 175.327 176.094 0.059 0.000 1.027 73 V CA -0.921 61.432 62.300 0.088 0.000 0.855 73 V CB 1.366 33.259 31.823 0.116 0.000 0.995 73 V HN 0.567 nan 8.190 nan 0.000 0.424 74 I N 6.033 126.656 120.570 0.088 0.000 2.354 74 I HA 0.516 4.693 4.170 0.012 0.000 0.292 74 I C -0.391 175.806 176.117 0.133 0.000 0.989 74 I CA -0.079 61.265 61.300 0.073 0.000 1.188 74 I CB 1.472 39.495 38.000 0.038 0.000 1.342 74 I HN 0.382 nan 8.210 nan 0.000 0.457 75 I N 7.543 128.206 120.570 0.155 0.000 2.404 75 I HA 0.522 4.700 4.170 0.012 0.000 0.293 75 I C -0.003 176.273 176.117 0.264 0.000 0.992 75 I CA -0.095 61.349 61.300 0.239 0.000 1.149 75 I CB 1.144 39.304 38.000 0.267 0.000 1.315 75 I HN 0.770 nan 8.210 nan 0.000 0.446 76 N N 3.057 121.862 118.700 0.176 0.000 3.522 76 N HA 0.426 5.173 4.740 0.012 0.000 0.328 76 N C -0.361 175.071 175.510 -0.131 0.000 1.623 76 N CA -0.944 52.038 53.050 -0.114 0.000 0.812 76 N CB 0.348 38.711 38.487 -0.206 0.000 2.008 76 N HN 0.364 nan 8.380 nan 0.000 0.601 77 N N -2.241 116.242 118.700 -0.362 0.000 2.861 77 N HA -0.135 4.612 4.740 0.012 0.000 0.247 77 N C -1.667 173.796 175.510 -0.077 0.000 1.117 77 N CA 0.903 53.844 53.050 -0.182 0.000 0.703 77 N CB -1.732 36.727 38.487 -0.048 0.000 1.052 77 N HN 0.558 nan 8.380 nan 0.000 0.555 78 F N -2.522 117.419 119.950 -0.016 0.000 2.631 78 F HA 0.846 5.381 4.527 0.013 0.000 0.328 78 F C 0.307 176.083 175.800 -0.040 0.000 1.067 78 F CA -1.350 56.633 58.000 -0.028 0.000 0.969 78 F CB 1.635 40.606 39.000 -0.047 0.000 1.332 78 F HN -0.097 nan 8.300 nan 0.000 0.490 79 S N 1.783 117.632 115.700 0.248 0.000 2.779 79 S HA 0.640 5.118 4.470 0.012 0.000 0.293 79 S C -1.196 173.488 174.600 0.140 0.000 1.150 79 S CA -0.603 57.687 58.200 0.150 0.000 1.057 79 S CB 0.235 63.475 63.200 0.067 0.000 1.021 79 S HN 0.697 nan 8.310 nan 0.000 0.485 80 L N 3.784 125.084 121.223 0.128 0.000 2.350 80 L HA 0.525 4.872 4.340 0.012 0.000 0.275 80 L C 0.446 177.409 176.870 0.155 0.000 1.099 80 L CA -0.634 54.235 54.840 0.048 0.000 0.808 80 L CB 0.906 42.959 42.059 -0.009 0.000 1.149 80 L HN 0.568 nan 8.230 nan 0.000 0.442 81 E N 3.655 124.011 120.200 0.260 0.000 2.283 81 E HA 0.249 4.606 4.350 0.012 0.000 0.278 81 E C -2.262 174.415 176.600 0.128 0.000 1.027 81 E CA -1.837 54.659 56.400 0.160 0.000 0.843 81 E CB 0.806 30.584 29.700 0.131 0.000 1.062 81 E HN 0.325 nan 8.360 nan 0.000 0.401 82 P HA -0.106 nan 4.420 nan 0.000 0.269 82 P C 0.245 177.484 177.300 -0.102 0.000 1.209 82 P CA 0.411 63.502 63.100 -0.016 0.000 0.776 82 P CB 0.582 32.243 31.700 -0.065 0.000 0.876 83 T N -1.418 113.044 114.554 -0.153 0.000 6.157 83 T HA -0.196 4.161 4.350 0.012 0.000 0.281 83 T C 0.025 174.517 174.700 -0.346 0.000 2.039 83 T CA 0.691 62.523 62.100 -0.446 0.000 3.312 83 T CB -2.706 65.625 68.868 -0.896 0.000 1.589 83 T HN 0.503 nan 8.240 nan 0.000 1.129 84 C N 2.453 121.666 119.300 -0.145 0.000 2.370 84 C HA 0.671 5.139 4.460 0.012 0.000 0.354 84 C C 0.752 175.560 174.990 -0.303 0.000 1.218 84 C CA -0.800 58.067 59.018 -0.251 0.000 2.154 84 C CB 0.909 28.438 27.740 -0.351 0.000 2.391 84 C HN 0.619 nan 8.230 nan 0.000 0.540 85 N N 1.452 119.896 118.700 -0.426 0.000 2.438 85 N HA 0.448 5.196 4.740 0.012 0.000 0.282 85 N C -1.411 173.691 175.510 -0.680 0.000 1.037 85 N CA -0.058 52.774 53.050 -0.364 0.000 0.942 85 N CB 1.173 39.527 38.487 -0.221 0.000 1.136 85 N HN 0.610 nan 8.380 nan 0.000 0.481 86 Y N 0.299 120.314 120.300 -0.475 0.000 2.499 86 Y HA 0.410 4.967 4.550 0.012 0.000 0.347 86 Y C 0.373 175.927 175.900 -0.576 0.000 0.987 86 Y CA -0.981 56.777 58.100 -0.571 0.000 1.044 86 Y CB 2.106 40.064 38.460 -0.837 0.000 1.245 86 Y HN 0.265 nan 8.280 nan 0.000 0.461 87 R N 2.687 123.088 120.500 -0.166 0.000 2.534 87 R HA 0.621 4.969 4.340 0.012 0.000 0.301 87 R C -2.101 174.208 176.300 0.015 0.000 0.961 87 R CA -0.932 55.125 56.100 -0.072 0.000 0.871 87 R CB 1.241 31.507 30.300 -0.057 0.000 1.170 87 R HN 0.744 nan 8.270 nan 0.000 0.446 88 L N 4.158 125.456 121.223 0.125 0.000 2.262 88 L HA 0.386 4.733 4.340 0.012 0.000 0.288 88 L C -0.978 176.042 176.870 0.249 0.000 1.035 88 L CA 0.056 55.006 54.840 0.183 0.000 0.820 88 L CB 1.467 43.672 42.059 0.244 0.000 1.204 88 L HN 0.739 nan 8.230 nan 0.000 0.424 89 S N 3.953 119.754 115.700 0.168 0.000 2.509 89 S HA 0.772 5.249 4.470 0.012 0.000 0.297 89 S C -0.837 173.853 174.600 0.150 0.000 1.118 89 S CA -0.615 57.648 58.200 0.105 0.000 1.074 89 S CB 1.266 64.471 63.200 0.008 0.000 1.038 89 S HN 0.559 nan 8.310 nan 0.000 0.498 90 Y N -1.268 119.085 120.300 0.089 0.000 2.504 90 Y HA 0.722 5.279 4.550 0.013 0.000 0.344 90 Y C -1.063 174.849 175.900 0.020 0.000 1.023 90 Y CA -1.177 56.948 58.100 0.041 0.000 1.020 90 Y CB 1.235 39.741 38.460 0.077 0.000 1.282 90 Y HN 0.668 nan 8.280 nan 0.000 0.454 91 E N 3.629 123.889 120.200 0.099 0.000 2.191 91 E HA 0.547 4.904 4.350 0.012 0.000 0.263 91 E C -1.089 175.508 176.600 -0.005 0.000 0.881 91 E CA -1.218 55.210 56.400 0.047 0.000 0.757 91 E CB 2.930 32.634 29.700 0.006 0.000 1.147 91 E HN 0.684 nan 8.360 nan 0.000 0.414 92 V N 0.219 120.100 119.914 -0.056 0.000 2.628 92 V HA 0.635 4.763 4.120 0.012 0.000 0.306 92 V C -0.270 175.620 176.094 -0.340 0.000 1.045 92 V CA -0.955 61.193 62.300 -0.254 0.000 0.905 92 V CB 1.257 32.785 31.823 -0.493 0.000 0.997 92 V HN 0.591 nan 8.190 nan 0.000 0.436 93 I N 4.221 124.563 120.570 -0.380 0.000 2.354 93 I HA 0.446 4.624 4.170 0.012 0.000 0.292 93 I C -0.036 175.906 176.117 -0.292 0.000 0.989 93 I CA -0.474 60.570 61.300 -0.426 0.000 1.188 93 I CB 1.521 39.241 38.000 -0.467 0.000 1.342 93 I HN 0.945 nan 8.210 nan 0.000 0.457 94 D N 6.413 126.658 120.400 -0.258 0.000 2.440 94 D HA 0.113 4.761 4.640 0.012 0.000 0.269 94 D C 1.038 177.218 176.300 -0.200 0.000 1.249 94 D CA -0.383 53.459 54.000 -0.264 0.000 1.055 94 D CB 0.706 41.319 40.800 -0.313 0.000 1.104 94 D HN 0.592 nan 8.370 nan 0.000 0.561 95 I N -3.437 116.972 120.570 -0.270 0.000 3.111 95 I HA 0.043 4.221 4.170 0.012 0.000 0.272 95 I C 0.641 176.811 176.117 0.089 0.000 1.268 95 I CA 0.266 61.491 61.300 -0.126 0.000 1.467 95 I CB -0.616 37.318 38.000 -0.109 0.000 1.087 95 I HN 0.248 nan 8.210 nan 0.000 0.467 96 Y N 1.409 121.702 120.300 -0.012 0.000 2.683 96 Y HA 0.240 4.797 4.550 0.012 0.000 0.297 96 Y C 0.463 176.376 175.900 0.022 0.000 1.147 96 Y CA -0.761 57.343 58.100 0.006 0.000 1.274 96 Y CB -0.136 38.331 38.460 0.012 0.000 1.143 96 Y HN 0.177 nan 8.280 nan 0.000 0.527 97 D N 1.050 121.521 120.400 0.120 0.000 2.983 97 D HA -0.196 4.451 4.640 0.012 0.000 0.225 97 D C -0.743 175.664 176.300 0.178 0.000 1.174 97 D CA 0.562 54.632 54.000 0.117 0.000 0.831 97 D CB -0.950 39.930 40.800 0.133 0.000 1.104 97 D HN 0.371 nan 8.370 nan 0.000 0.421 98 N N 0.450 119.220 118.700 0.118 0.000 2.508 98 N HA 0.174 4.922 4.740 0.012 0.000 0.264 98 N C -0.091 175.501 175.510 0.138 0.000 1.216 98 N CA 0.414 53.548 53.050 0.140 0.000 0.943 98 N CB 0.382 38.914 38.487 0.075 0.000 1.113 98 N HN 0.226 nan 8.380 nan 0.000 0.447 99 H N 0.294 119.358 119.070 -0.009 0.000 2.472 99 H HA 0.606 5.170 4.556 0.012 0.000 0.338 99 H C -0.570 174.757 175.328 -0.002 0.000 1.133 99 H CA -0.594 55.443 56.048 -0.019 0.000 1.216 99 H CB 1.270 31.028 29.762 -0.007 0.000 1.497 99 H HN 0.313 nan 8.280 nan 0.000 0.500 100 L N 1.921 123.183 121.223 0.066 0.000 2.470 100 L HA 0.364 4.711 4.340 0.012 0.000 0.268 100 L C -1.140 175.788 176.870 0.096 0.000 0.964 100 L CA -0.341 54.561 54.840 0.102 0.000 0.839 100 L CB 1.951 44.084 42.059 0.123 0.000 1.276 100 L HN 0.633 nan 8.230 nan 0.000 0.403 101 Q N 2.696 122.524 119.800 0.046 0.000 2.282 101 Q HA 0.811 5.158 4.340 0.012 0.000 0.260 101 Q C -0.623 175.260 176.000 -0.196 0.000 0.964 101 Q CA -0.240 55.513 55.803 -0.083 0.000 0.880 101 Q CB 1.959 30.680 28.738 -0.029 0.000 1.286 101 Q HN 0.972 nan 8.270 nan 0.000 0.445 102 G N 1.631 110.042 108.800 -0.650 0.000 2.561 102 G HA2 0.490 4.458 3.960 0.012 0.000 0.310 102 G HA3 0.490 4.458 3.960 0.012 0.000 0.310 102 G C -2.183 172.350 174.900 -0.612 0.000 1.292 102 G CA -0.438 44.351 45.100 -0.518 0.000 0.811 102 G HN 0.673 nan 8.290 nan 0.000 0.482 103 Y N -1.503 118.636 120.300 -0.268 0.000 2.641 103 Y HA 0.760 5.317 4.550 0.010 0.000 0.333 103 Y C -1.008 174.986 175.900 0.156 0.000 1.174 103 Y CA -1.567 56.520 58.100 -0.021 0.000 1.057 103 Y CB 1.102 39.528 38.460 -0.056 0.000 1.322 103 Y HN 0.974 nan 8.280 nan 0.000 0.457 104 I N -0.625 120.070 120.570 0.208 0.000 2.892 104 I HA 0.852 5.029 4.170 0.012 0.000 0.306 104 I C -1.242 175.045 176.117 0.284 0.000 1.078 104 I CA -0.999 60.377 61.300 0.127 0.000 1.032 104 I CB 2.700 40.801 38.000 0.169 0.000 1.229 104 I HN 0.810 nan 8.210 nan 0.000 0.435 105 E N 2.976 123.316 120.200 0.233 0.000 2.343 105 E HA 0.752 5.109 4.350 0.012 0.000 0.270 105 E C -1.724 174.985 176.600 0.182 0.000 0.895 105 E CA -0.651 55.822 56.400 0.121 0.000 0.767 105 E CB 2.939 32.726 29.700 0.145 0.000 1.248 105 E HN 0.600 nan 8.360 nan 0.000 0.440 106 F N -0.330 119.676 119.950 0.092 0.000 2.770 106 F HA 0.573 5.108 4.527 0.012 0.000 0.313 106 F C -2.268 173.593 175.800 0.101 0.000 1.154 106 F CA -1.295 56.749 58.000 0.074 0.000 0.923 106 F CB 0.615 39.651 39.000 0.060 0.000 1.301 106 F HN 0.313 nan 8.300 nan 0.000 0.449 107 L N 2.306 123.707 121.223 0.297 0.000 2.346 107 L HA 0.852 5.199 4.340 0.012 0.000 0.276 107 L C -1.277 175.772 176.870 0.298 0.000 1.006 107 L CA -0.961 54.002 54.840 0.204 0.000 0.817 107 L CB 2.037 44.172 42.059 0.127 0.000 1.272 107 L HN 0.643 nan 8.230 nan 0.000 0.421 108 V N 4.830 124.901 119.914 0.262 0.000 2.439 108 V HA 0.399 4.526 4.120 0.012 0.000 0.282 108 V C 0.281 176.463 176.094 0.146 0.000 1.039 108 V CA -0.941 61.499 62.300 0.234 0.000 0.913 108 V CB 1.168 33.148 31.823 0.261 0.000 0.983 108 V HN 0.793 nan 8.190 nan 0.000 0.460 109 N N 2.647 121.425 118.700 0.130 0.000 2.374 109 N HA 0.017 4.764 4.740 0.012 0.000 0.241 109 N C 0.042 175.553 175.510 0.002 0.000 1.262 109 N CA -0.045 53.070 53.050 0.109 0.000 0.880 109 N CB 0.242 38.801 38.487 0.119 0.000 1.105 109 N HN 0.766 nan 8.380 nan 0.000 0.438 110 Q N 0.430 120.183 119.800 -0.078 0.000 2.332 110 Q HA 0.133 4.481 4.340 0.012 0.000 0.263 110 Q C 0.598 176.278 176.000 -0.533 0.000 0.979 110 Q CA 0.107 55.725 55.803 -0.309 0.000 0.885 110 Q CB 0.647 29.176 28.738 -0.349 0.000 1.218 110 Q HN 0.641 nan 8.270 nan 0.000 0.405 111 S N 2.249 117.729 115.700 -0.366 0.000 2.468 111 S HA 0.123 4.600 4.470 0.012 0.000 0.226 111 S C -0.015 174.389 174.600 -0.327 0.000 1.051 111 S CA 0.266 58.297 58.200 -0.281 0.000 0.943 111 S CB -0.039 63.082 63.200 -0.131 0.000 0.810 111 S HN 0.702 nan 8.310 nan 0.000 0.509 112 N N 1.059 119.574 118.700 -0.308 0.000 2.678 112 N HA 0.379 5.126 4.740 0.012 0.000 0.231 112 N C -1.486 173.889 175.510 -0.225 0.000 1.038 112 N CA -0.409 52.523 53.050 -0.197 0.000 0.932 112 N CB 0.509 38.932 38.487 -0.106 0.000 1.176 112 N HN 0.328 nan 8.380 nan 0.000 0.511 113 Y N 1.445 121.636 120.300 -0.181 0.000 2.300 113 Y HA 0.235 4.792 4.550 0.012 0.000 0.328 113 Y C -1.657 174.140 175.900 -0.171 0.000 1.270 113 Y CA -2.074 55.847 58.100 -0.299 0.000 1.352 113 Y CB 0.433 38.424 38.460 -0.781 0.000 1.286 113 Y HN 0.360 nan 8.280 nan 0.000 0.536 114 P HA -0.048 nan 4.420 nan 0.000 0.266 114 P C -1.190 176.144 177.300 0.056 0.000 1.195 114 P CA 0.060 63.170 63.100 0.017 0.000 0.768 114 P CB 0.453 32.121 31.700 -0.054 0.000 0.838 115 Q N 2.933 122.750 119.800 0.028 0.000 2.421 115 Q HA 0.314 4.661 4.340 0.012 0.000 0.242 115 Q C -0.267 175.712 176.000 -0.034 0.000 1.024 115 Q CA -0.281 55.534 55.803 0.020 0.000 0.891 115 Q CB 0.657 29.404 28.738 0.016 0.000 1.222 115 Q HN 0.362 nan 8.270 nan 0.000 0.483 116 I N 4.547 125.072 120.570 -0.075 0.000 2.331 116 I HA 0.305 4.483 4.170 0.012 0.000 0.292 116 I C -1.989 174.050 176.117 -0.129 0.000 0.998 116 I CA -2.734 58.460 61.300 -0.177 0.000 1.267 116 I CB 0.656 38.422 38.000 -0.389 0.000 1.386 116 I HN 0.150 nan 8.210 nan 0.000 0.476 117 P HA 0.083 nan 4.420 nan 0.000 0.265 117 P C 0.502 177.752 177.300 -0.084 0.000 1.193 117 P CA -0.062 62.973 63.100 -0.108 0.000 0.765 117 P CB 0.824 32.437 31.700 -0.145 0.000 0.823 118 D N 1.719 122.087 120.400 -0.053 0.000 2.182 118 D HA -0.189 4.458 4.640 0.012 0.000 0.201 118 D C 1.540 177.833 176.300 -0.011 0.000 0.986 118 D CA 1.381 55.363 54.000 -0.030 0.000 0.847 118 D CB -0.010 40.778 40.800 -0.020 0.000 0.942 118 D HN 0.524 nan 8.370 nan 0.000 0.467 119 Q N 0.339 120.125 119.800 -0.022 0.000 2.369 119 Q HA -0.083 4.264 4.340 0.012 0.000 0.206 119 Q C 1.410 177.411 176.000 0.002 0.000 0.963 119 Q CA 0.919 56.719 55.803 -0.005 0.000 0.894 119 Q CB 0.315 29.039 28.738 -0.022 0.000 0.965 119 Q HN 0.122 nan 8.270 nan 0.000 0.475 120 E N -0.671 119.525 120.200 -0.008 0.000 2.452 120 E HA 0.066 4.424 4.350 0.012 0.000 0.197 120 E C -0.071 176.627 176.600 0.164 0.000 1.022 120 E CA 0.013 56.450 56.400 0.061 0.000 0.890 120 E CB 0.538 30.249 29.700 0.019 0.000 0.918 120 E HN 0.108 nan 8.360 nan 0.000 0.496 121 V N 3.572 123.543 119.914 0.095 0.000 2.752 121 V HA -0.122 4.005 4.120 0.012 0.000 0.306 121 V C 0.838 177.033 176.094 0.168 0.000 1.099 121 V CA 0.269 62.665 62.300 0.161 0.000 1.240 121 V CB 0.058 31.913 31.823 0.052 0.000 0.887 121 V HN 0.165 nan 8.190 nan 0.000 0.499 122 N N 2.640 121.461 118.700 0.201 0.000 2.482 122 N HA 0.204 4.951 4.740 0.012 0.000 0.260 122 N C -0.227 175.340 175.510 0.095 0.000 1.236 122 N CA -0.042 53.021 53.050 0.022 0.000 0.938 122 N CB 0.412 38.821 38.487 -0.130 0.000 1.128 122 N HN 0.706 nan 8.380 nan 0.000 0.448 123 H N -0.220 118.873 119.070 0.038 0.000 2.472 123 H HA 0.439 5.002 4.556 0.012 0.000 0.335 123 H C -0.339 175.022 175.328 0.054 0.000 1.136 123 H CA -0.330 55.745 56.048 0.045 0.000 1.264 123 H CB 1.215 31.021 29.762 0.073 0.000 1.486 123 H HN 0.305 nan 8.280 nan 0.000 0.517 124 T N 3.286 117.956 114.554 0.192 0.000 3.295 124 T HA 0.281 4.638 4.350 0.012 0.000 0.331 124 T C -0.601 174.260 174.700 0.268 0.000 1.142 124 T CA -0.671 61.542 62.100 0.188 0.000 1.078 124 T CB 0.995 69.902 68.868 0.066 0.000 1.150 124 T HN 0.339 nan 8.240 nan 0.000 0.465 125 I N 2.874 123.636 120.570 0.320 0.000 2.460 125 I HA 0.612 4.790 4.170 0.012 0.000 0.298 125 I C -0.791 175.502 176.117 0.293 0.000 0.989 125 I CA -1.136 60.339 61.300 0.290 0.000 1.173 125 I CB 1.759 39.969 38.000 0.351 0.000 1.338 125 I HN 0.373 nan 8.210 nan 0.000 0.456 126 L N 5.522 126.766 121.223 0.034 0.000 2.313 126 L HA 0.380 4.728 4.340 0.012 0.000 0.283 126 L C -0.242 176.617 176.870 -0.019 0.000 1.013 126 L CA -0.063 54.635 54.840 -0.237 0.000 0.816 126 L CB 1.515 43.051 42.059 -0.871 0.000 1.236 126 L HN 0.637 nan 8.230 nan 0.000 0.419 127 Q N 4.394 124.198 119.800 0.006 0.000 2.323 127 Q HA 0.451 4.799 4.340 0.012 0.000 0.257 127 Q C -0.147 175.734 176.000 -0.198 0.000 1.022 127 Q CA -0.037 55.613 55.803 -0.256 0.000 0.919 127 Q CB 1.307 29.697 28.738 -0.581 0.000 1.220 127 Q HN 0.888 nan 8.270 nan 0.000 0.427 128 A N 5.936 128.656 122.820 -0.167 0.000 2.734 128 A HA 0.380 4.708 4.320 0.012 0.000 0.279 128 A C -0.698 176.628 177.584 -0.431 0.000 1.386 128 A CA -0.332 51.619 52.037 -0.144 0.000 0.987 128 A CB -0.781 18.137 19.000 -0.136 0.000 1.041 128 A HN 0.731 nan 8.150 nan 0.000 0.569 129 F N -3.816 115.788 119.950 -0.577 0.000 2.926 129 F HA 0.684 5.220 4.527 0.014 0.000 0.321 129 F C -1.159 174.566 175.800 -0.125 0.000 1.168 129 F CA -1.733 55.900 58.000 -0.612 0.000 0.890 129 F CB 0.811 39.401 39.000 -0.683 0.000 1.357 129 F HN 0.188 nan 8.300 nan 0.000 0.468 130 Y N -1.780 118.441 120.300 -0.132 0.000 2.689 130 Y HA 0.333 4.891 4.550 0.013 0.000 0.333 130 Y C -0.531 175.478 175.900 0.182 0.000 1.208 130 Y CA -1.650 56.474 58.100 0.041 0.000 1.055 130 Y CB 0.890 39.284 38.460 -0.111 0.000 1.304 130 Y HN 0.956 nan 8.280 nan 0.000 0.455 131 W N 1.418 122.814 121.300 0.159 0.000 2.409 131 W HA -0.044 4.624 4.660 0.013 0.000 0.299 131 W C 0.168 176.636 176.519 -0.086 0.000 1.203 131 W CA 2.412 59.832 57.345 0.125 0.000 1.298 131 W CB 0.320 29.904 29.460 0.206 0.000 1.127 131 W HN 0.896 nan 8.180 nan 0.000 0.528 132 E N 0.015 120.182 120.200 -0.055 0.000 2.463 132 E HA 0.022 4.379 4.350 0.012 0.000 0.193 132 E C 0.755 177.066 176.600 -0.482 0.000 1.041 132 E CA -0.145 56.154 56.400 -0.167 0.000 0.879 132 E CB -0.449 29.173 29.700 -0.130 0.000 0.997 132 E HN 0.068 nan 8.360 nan 0.000 0.478 133 M N 1.666 120.665 119.600 -1.003 0.000 2.240 133 M HA -0.123 4.365 4.480 0.012 0.000 0.346 133 M C 0.029 176.109 176.300 -0.365 0.000 1.236 133 M CA 0.691 55.446 55.300 -0.908 0.000 0.986 133 M CB 0.145 32.163 32.600 -0.970 0.000 1.786 133 M HN 0.165 nan 8.290 nan 0.000 0.457 134 N N 2.007 120.611 118.700 -0.161 0.000 2.735 134 N HA -0.159 4.588 4.740 0.012 0.000 0.248 134 N C -1.319 174.173 175.510 -0.031 0.000 1.083 134 N CA 1.350 54.352 53.050 -0.080 0.000 0.703 134 N CB -0.995 37.384 38.487 -0.179 0.000 1.005 134 N HN 0.974 nan 8.380 nan 0.000 0.550 135 T N -4.035 110.560 114.554 0.069 0.000 2.906 135 T HA 0.721 5.079 4.350 0.012 0.000 0.295 135 T C 1.130 175.976 174.700 0.243 0.000 1.061 135 T CA 0.309 62.485 62.100 0.128 0.000 1.000 135 T CB 1.797 70.733 68.868 0.113 0.000 1.103 135 T HN 0.948 nan 8.240 nan 0.000 0.486 136 G N 1.922 110.825 108.800 0.172 0.000 2.634 136 G HA2 -0.319 3.649 3.960 0.012 0.000 0.309 136 G HA3 -0.319 3.649 3.960 0.012 0.000 0.309 136 G C 0.724 175.688 174.900 0.106 0.000 1.265 136 G CA 0.761 45.950 45.100 0.147 0.000 0.998 136 G HN 0.940 nan 8.290 nan 0.000 0.551 137 E N -0.328 119.886 120.200 0.022 0.000 2.268 137 E HA -0.053 4.305 4.350 0.012 0.000 0.195 137 E C 2.253 178.833 176.600 -0.034 0.000 0.995 137 E CA 1.136 57.502 56.400 -0.055 0.000 0.836 137 E CB -0.090 29.526 29.700 -0.141 0.000 0.763 137 E HN 0.611 nan 8.360 nan 0.000 0.491 138 Y N 0.260 120.644 120.300 0.141 0.000 2.224 138 Y HA -0.205 4.352 4.550 0.012 0.000 0.289 138 Y C 2.405 178.407 175.900 0.171 0.000 1.146 138 Y CA 1.004 59.219 58.100 0.193 0.000 1.182 138 Y CB -0.288 38.308 38.460 0.227 0.000 0.983 138 Y HN 0.068 nan 8.280 nan 0.000 0.524 139 A N -0.571 122.391 122.820 0.237 0.000 2.015 139 A HA -0.141 4.186 4.320 0.012 0.000 0.219 139 A C 2.189 179.829 177.584 0.093 0.000 1.163 139 A CA 2.018 54.135 52.037 0.134 0.000 0.646 139 A CB -0.992 18.055 19.000 0.078 0.000 0.806 139 A HN 0.405 nan 8.150 nan 0.000 0.448 140 T N -0.010 114.589 114.554 0.075 0.000 2.668 140 T HA -0.073 4.285 4.350 0.012 0.000 0.258 140 T C 1.727 176.433 174.700 0.010 0.000 1.051 140 T CA 1.315 63.434 62.100 0.031 0.000 1.155 140 T CB -0.223 68.653 68.868 0.013 0.000 0.864 140 T HN 0.462 nan 8.240 nan 0.000 0.413 141 E N 1.052 121.259 120.200 0.011 0.000 2.268 141 E HA -0.051 4.306 4.350 0.012 0.000 0.195 141 E C 0.396 176.824 176.600 -0.286 0.000 0.995 141 E CA 0.882 57.221 56.400 -0.101 0.000 0.836 141 E CB -0.051 29.621 29.700 -0.047 0.000 0.763 141 E HN 0.597 nan 8.360 nan 0.000 0.491 142 H N -0.136 118.978 119.070 0.073 0.000 2.380 142 H HA 0.151 4.714 4.556 0.012 0.000 0.231 142 H C -1.766 173.599 175.328 0.062 0.000 1.415 142 H CA -1.376 54.722 56.048 0.083 0.000 1.433 142 H CB 1.367 31.218 29.762 0.149 0.000 1.544 142 H HN -0.000 nan 8.280 nan 0.000 0.503 143 P HA -0.155 nan 4.420 nan 0.000 0.219 143 P C 1.596 178.923 177.300 0.045 0.000 1.150 143 P CA 0.902 64.033 63.100 0.052 0.000 0.814 143 P CB 0.440 32.149 31.700 0.016 0.000 0.787 144 E N 1.802 122.039 120.200 0.061 0.000 2.233 144 E HA -0.234 4.124 4.350 0.012 0.000 0.199 144 E C 1.002 177.622 176.600 0.034 0.000 1.004 144 E CA 1.394 57.822 56.400 0.046 0.000 0.819 144 E CB -1.153 28.582 29.700 0.058 0.000 0.738 144 E HN 0.417 nan 8.360 nan 0.000 0.478 145 E N 0.452 120.687 120.200 0.059 0.000 2.494 145 E HA 0.185 4.543 4.350 0.012 0.000 0.193 145 E C 1.366 177.911 176.600 -0.091 0.000 1.074 145 E CA 0.347 56.739 56.400 -0.012 0.000 0.867 145 E CB 0.141 29.863 29.700 0.035 0.000 0.924 145 E HN 0.405 nan 8.360 nan 0.000 0.502 146 A N 1.337 124.113 122.820 -0.074 0.000 2.239 146 A HA -0.025 4.303 4.320 0.012 0.000 0.209 146 A C 0.317 177.799 177.584 -0.170 0.000 1.171 146 A CA 0.492 52.454 52.037 -0.125 0.000 0.768 146 A CB -0.087 18.861 19.000 -0.087 0.000 0.790 146 A HN 0.141 nan 8.150 nan 0.000 0.478 147 N N -1.125 117.478 118.700 -0.162 0.000 2.732 147 N HA 0.185 4.933 4.740 0.012 0.000 0.230 147 N C 0.161 175.564 175.510 -0.179 0.000 1.487 147 N CA -0.366 52.578 53.050 -0.176 0.000 0.765 147 N CB 0.883 39.313 38.487 -0.095 0.000 1.384 147 N HN 0.111 nan 8.380 nan 0.000 0.530 148 L N 0.025 121.065 121.223 -0.306 0.000 2.042 148 L HA 0.032 4.380 4.340 0.012 0.000 0.210 148 L C 1.258 178.056 176.870 -0.119 0.000 1.076 148 L CA 1.903 56.555 54.840 -0.313 0.000 0.749 148 L CB -0.349 41.396 42.059 -0.523 0.000 0.893 148 L HN 0.586 nan 8.230 nan 0.000 0.432 149 W N -0.506 120.745 121.300 -0.081 0.000 2.363 149 W HA -0.205 4.462 4.660 0.012 0.000 0.296 149 W C 2.361 178.834 176.519 -0.075 0.000 1.212 149 W CA 0.293 57.582 57.345 -0.094 0.000 1.260 149 W CB -0.520 28.893 29.460 -0.078 0.000 1.131 149 W HN 0.244 nan 8.180 nan 0.000 0.530 150 N N 0.614 119.401 118.700 0.145 0.000 2.142 150 N HA -0.140 4.607 4.740 0.012 0.000 0.186 150 N C 1.620 177.163 175.510 0.055 0.000 1.023 150 N CA 1.177 54.272 53.050 0.074 0.000 0.852 150 N CB -0.926 37.584 38.487 0.038 0.000 0.998 150 N HN 0.101 nan 8.380 nan 0.000 0.424 151 L N 1.092 122.342 121.223 0.045 0.000 2.017 151 L HA -0.008 4.340 4.340 0.012 0.000 0.208 151 L C 1.996 178.919 176.870 0.088 0.000 1.073 151 L CA 1.277 56.151 54.840 0.057 0.000 0.745 151 L CB -0.589 41.502 42.059 0.054 0.000 0.894 151 L HN 0.100 nan 8.230 nan 0.000 0.432 152 L N -0.821 120.461 121.223 0.098 0.000 2.083 152 L HA -0.201 4.147 4.340 0.012 0.000 0.209 152 L C 2.674 179.578 176.870 0.058 0.000 1.083 152 L CA 1.099 56.000 54.840 0.102 0.000 0.752 152 L CB -0.925 41.188 42.059 0.090 0.000 0.899 152 L HN 0.400 nan 8.230 nan 0.000 0.433 153 A N -0.103 122.743 122.820 0.042 0.000 1.859 153 A HA -0.307 4.020 4.320 0.012 0.000 0.217 153 A C 2.287 179.886 177.584 0.024 0.000 1.198 153 A CA 2.119 54.164 52.037 0.014 0.000 0.629 153 A CB -0.727 18.279 19.000 0.011 0.000 0.830 153 A HN 0.472 nan 8.150 nan 0.000 0.446 154 E N -0.423 119.798 120.200 0.036 0.000 2.097 154 E HA -0.234 4.123 4.350 0.012 0.000 0.196 154 E C 2.053 178.682 176.600 0.049 0.000 1.000 154 E CA 1.390 57.812 56.400 0.037 0.000 0.804 154 E CB -0.112 29.611 29.700 0.037 0.000 0.740 154 E HN 0.583 nan 8.360 nan 0.000 0.454 155 R N -0.643 119.898 120.500 0.067 0.000 2.300 155 R HA 0.146 4.494 4.340 0.012 0.000 0.199 155 R C 2.149 178.506 176.300 0.094 0.000 0.920 155 R CA 0.404 56.560 56.100 0.093 0.000 1.046 155 R CB 0.164 30.536 30.300 0.121 0.000 0.984 155 R HN 0.124 nan 8.270 nan 0.000 0.493 156 A N 2.596 125.454 122.820 0.064 0.000 1.917 156 A HA -0.134 4.193 4.320 0.012 0.000 0.219 156 A C -0.521 177.101 177.584 0.064 0.000 1.182 156 A CA 1.342 53.410 52.037 0.051 0.000 0.633 156 A CB -1.180 17.829 19.000 0.014 0.000 0.819 156 A HN 0.163 nan 8.150 nan 0.000 0.448 157 P HA -0.138 nan 4.420 nan 0.000 0.217 157 P C 1.332 178.682 177.300 0.082 0.000 1.151 157 P CA 1.387 64.522 63.100 0.060 0.000 0.828 157 P CB -0.156 31.573 31.700 0.049 0.000 0.788 158 E N 0.227 120.488 120.200 0.102 0.000 2.208 158 E HA -0.094 4.264 4.350 0.012 0.000 0.193 158 E C 1.842 178.546 176.600 0.173 0.000 0.988 158 E CA 0.765 57.243 56.400 0.130 0.000 0.828 158 E CB -1.105 28.680 29.700 0.142 0.000 0.763 158 E HN 0.212 nan 8.360 nan 0.000 0.478 159 L N 1.002 122.337 121.223 0.187 0.000 2.056 159 L HA -0.107 4.241 4.340 0.012 0.000 0.207 159 L C 2.812 179.834 176.870 0.253 0.000 1.078 159 L CA 1.173 56.183 54.840 0.284 0.000 0.749 159 L CB -0.516 41.659 42.059 0.192 0.000 0.901 159 L HN 0.244 nan 8.230 nan 0.000 0.433 160 A N -0.083 122.820 122.820 0.138 0.000 1.930 160 A HA -0.249 4.079 4.320 0.012 0.000 0.217 160 A C 2.257 179.866 177.584 0.042 0.000 1.175 160 A CA 1.753 53.836 52.037 0.077 0.000 0.627 160 A CB -0.481 18.550 19.000 0.051 0.000 0.815 160 A HN 0.484 nan 8.150 nan 0.000 0.443 161 E N 0.027 120.265 120.200 0.063 0.000 2.110 161 E HA -0.103 4.254 4.350 0.012 0.000 0.193 161 E C 1.957 178.574 176.600 0.027 0.000 0.988 161 E CA 1.006 57.440 56.400 0.056 0.000 0.804 161 E CB -0.264 29.485 29.700 0.082 0.000 0.745 161 E HN 0.520 nan 8.360 nan 0.000 0.458 162 A N -0.007 122.829 122.820 0.027 0.000 2.067 162 A HA 0.070 4.397 4.320 0.012 0.000 0.219 162 A C 1.922 179.321 177.584 -0.309 0.000 1.158 162 A CA 1.427 53.414 52.037 -0.084 0.000 0.661 162 A CB -0.515 18.478 19.000 -0.012 0.000 0.801 162 A HN 0.578 nan 8.150 nan 0.000 0.452 163 G N -2.806 105.838 108.800 -0.259 0.000 2.184 163 G HA2 -0.177 3.790 3.960 0.012 0.000 0.206 163 G HA3 -0.177 3.790 3.960 0.012 0.000 0.206 163 G C 0.043 174.762 174.900 -0.303 0.000 0.995 163 G CA -0.215 44.709 45.100 -0.293 0.000 0.651 163 G HN 0.326 nan 8.290 nan 0.000 0.511 164 F N 1.795 121.710 119.950 -0.058 0.000 2.572 164 F HA 0.376 4.910 4.527 0.012 0.000 0.370 164 F C 2.000 177.765 175.800 -0.058 0.000 1.103 164 F CA 1.202 59.167 58.000 -0.058 0.000 1.286 164 F CB 1.184 40.139 39.000 -0.074 0.000 1.105 164 F HN 0.116 nan 8.300 nan 0.000 0.583 165 T N -0.515 114.102 114.554 0.105 0.000 3.001 165 T HA 0.631 4.988 4.350 0.012 0.000 0.251 165 T C 0.237 174.870 174.700 -0.112 0.000 1.040 165 T CA 0.247 62.343 62.100 -0.007 0.000 0.985 165 T CB 0.241 69.102 68.868 -0.011 0.000 1.011 165 T HN 0.660 nan 8.240 nan 0.000 0.509 166 A N 1.015 123.768 122.820 -0.113 0.000 2.587 166 A HA 0.766 5.093 4.320 0.012 0.000 0.293 166 A C -1.206 176.239 177.584 -0.231 0.000 1.087 166 A CA -0.713 51.122 52.037 -0.337 0.000 0.692 166 A CB 1.735 20.329 19.000 -0.675 0.000 1.291 166 A HN 0.926 nan 8.150 nan 0.000 0.407 167 V N -2.276 117.455 119.914 -0.305 0.000 2.531 167 V HA 0.783 4.910 4.120 0.012 0.000 0.301 167 V C -0.955 175.159 176.094 0.033 0.000 1.034 167 V CA -0.632 61.602 62.300 -0.109 0.000 0.865 167 V CB 1.368 33.133 31.823 -0.095 0.000 0.995 167 V HN 1.373 nan 8.190 nan 0.000 0.424 168 W N 6.816 128.150 121.300 0.056 0.000 2.316 168 W HA 0.750 5.417 4.660 0.012 0.000 0.308 168 W C -1.191 175.451 176.519 0.205 0.000 1.106 168 W CA -1.819 55.658 57.345 0.220 0.000 1.262 168 W CB 0.674 30.364 29.460 0.383 0.000 1.233 168 W HN 0.705 nan 8.180 nan 0.000 0.447 169 L N 8.942 130.378 121.223 0.356 0.000 2.421 169 L HA 0.436 4.784 4.340 0.012 0.000 0.263 169 L C -1.353 175.338 176.870 -0.298 0.000 1.122 169 L CA -2.144 52.698 54.840 0.003 0.000 0.804 169 L CB 0.863 42.906 42.059 -0.027 0.000 1.150 169 L HN 0.304 nan 8.230 nan 0.000 0.457 170 P HA 0.142 nan 4.420 nan 0.000 0.272 170 P C -2.615 174.190 177.300 -0.825 0.000 1.240 170 P CA -1.607 60.461 63.100 -1.721 0.000 0.791 170 P CB -0.513 29.830 31.700 -2.263 0.000 0.978 171 P HA -0.056 nan 4.420 nan 0.000 0.260 171 P C 0.385 177.529 177.300 -0.260 0.000 1.172 171 P CA 0.800 63.622 63.100 -0.463 0.000 0.760 171 P CB -0.166 31.300 31.700 -0.390 0.000 0.773 172 A N 3.570 126.203 122.820 -0.313 0.000 2.275 172 A HA 0.021 4.349 4.320 0.012 0.000 0.212 172 A C 0.926 178.722 177.584 0.353 0.000 1.201 172 A CA 0.023 52.158 52.037 0.163 0.000 0.843 172 A CB -0.600 18.440 19.000 0.067 0.000 0.873 172 A HN 0.628 nan 8.150 nan 0.000 0.492 173 N N -0.256 118.665 118.700 0.368 0.000 2.458 173 N HA 0.246 4.994 4.740 0.012 0.000 0.271 173 N C -0.430 175.244 175.510 0.273 0.000 1.210 173 N CA -0.580 52.699 53.050 0.382 0.000 0.978 173 N CB 0.639 39.376 38.487 0.417 0.000 1.206 173 N HN -0.081 nan 8.380 nan 0.000 0.536 174 K N -0.281 120.300 120.400 0.302 0.000 2.339 174 K HA 0.334 4.662 4.320 0.012 0.000 0.286 174 K C -0.039 176.733 176.600 0.286 0.000 1.050 174 K CA -0.167 56.287 56.287 0.279 0.000 0.956 174 K CB 0.307 33.029 32.500 0.370 0.000 0.990 174 K HN 0.707 nan 8.250 nan 0.000 0.475 175 G N 2.722 111.630 108.800 0.180 0.000 2.552 175 G HA2 0.388 4.356 3.960 0.012 0.000 0.324 175 G HA3 0.388 4.356 3.960 0.012 0.000 0.324 175 G C 0.438 175.409 174.900 0.118 0.000 1.217 175 G CA -0.602 44.604 45.100 0.175 0.000 0.989 175 G HN 0.759 nan 8.290 nan 0.000 0.490 176 M N -0.742 118.927 119.600 0.115 0.000 2.419 176 M HA 0.347 4.835 4.480 0.012 0.000 0.264 176 M C 1.779 178.063 176.300 -0.025 0.000 1.082 176 M CA 1.851 57.168 55.300 0.029 0.000 1.119 176 M CB 0.223 32.873 32.600 0.083 0.000 1.398 176 M HN 0.349 nan 8.290 nan 0.000 0.453 177 A N 0.379 123.202 122.820 0.005 0.000 2.337 177 A HA 0.627 4.955 4.320 0.012 0.000 0.227 177 A C 1.669 179.263 177.584 0.017 0.000 1.259 177 A CA 0.291 52.330 52.037 0.004 0.000 0.870 177 A CB -1.432 17.580 19.000 0.019 0.000 0.927 177 A HN 0.813 nan 8.150 nan 0.000 0.497 178 G N 0.576 109.368 108.800 -0.013 0.000 2.634 178 G HA2 -0.397 3.570 3.960 0.012 0.000 0.318 178 G HA3 -0.397 3.570 3.960 0.012 0.000 0.318 178 G C 1.138 175.986 174.900 -0.086 0.000 1.207 178 G CA 0.663 45.746 45.100 -0.028 0.000 0.987 178 G HN 0.778 nan 8.290 nan 0.000 0.547 179 I N 1.509 121.997 120.570 -0.136 0.000 2.928 179 I HA 0.051 4.228 4.170 0.012 0.000 0.266 179 I C 1.709 177.546 176.117 -0.468 0.000 1.234 179 I CA 0.978 62.090 61.300 -0.314 0.000 1.483 179 I CB -0.187 37.616 38.000 -0.328 0.000 1.097 179 I HN 0.521 nan 8.210 nan 0.000 0.455 180 H N -0.353 118.608 119.070 -0.182 0.000 2.529 180 H HA 0.186 4.749 4.556 0.012 0.000 0.277 180 H C -0.094 175.109 175.328 -0.208 0.000 1.004 180 H CA -0.103 55.830 56.048 -0.190 0.000 1.167 180 H CB 0.175 29.864 29.762 -0.122 0.000 1.445 180 H HN 0.254 nan 8.280 nan 0.000 0.554 181 D N 1.179 121.504 120.400 -0.125 0.000 2.277 181 D HA 0.040 4.687 4.640 0.012 0.000 0.249 181 D C 1.226 177.362 176.300 -0.273 0.000 1.134 181 D CA -0.173 53.747 54.000 -0.133 0.000 0.863 181 D CB 2.359 43.125 40.800 -0.056 0.000 1.143 181 D HN -0.081 nan 8.370 nan 0.000 0.458 182 V N 3.261 123.001 119.914 -0.290 0.000 2.809 182 V HA 0.054 4.181 4.120 0.012 0.000 0.256 182 V C 1.767 177.709 176.094 -0.253 0.000 1.080 182 V CA 1.606 63.679 62.300 -0.378 0.000 1.102 182 V CB -0.032 31.345 31.823 -0.744 0.000 0.705 182 V HN 0.939 nan 8.190 nan 0.000 0.475 183 G N -1.831 106.844 108.800 -0.209 0.000 2.485 183 G HA2 -0.224 3.743 3.960 0.012 0.000 0.181 183 G HA3 -0.224 3.743 3.960 0.012 0.000 0.181 183 G C 0.491 175.235 174.900 -0.260 0.000 0.999 183 G CA 0.099 45.045 45.100 -0.257 0.000 0.721 183 G HN 0.430 nan 8.290 nan 0.000 0.486 184 Y N 1.328 121.712 120.300 0.141 0.000 2.511 184 Y HA 0.352 4.909 4.550 0.013 0.000 0.279 184 Y C 2.368 178.445 175.900 0.295 0.000 1.157 184 Y CA 0.603 58.854 58.100 0.252 0.000 1.300 184 Y CB 0.545 39.221 38.460 0.362 0.000 1.052 184 Y HN 0.293 nan 8.280 nan 0.000 0.529 185 G N 0.876 109.855 108.800 0.299 0.000 3.455 185 G HA2 0.031 3.998 3.960 0.012 0.000 0.250 185 G HA3 0.031 3.998 3.960 0.012 0.000 0.250 185 G C -0.005 175.052 174.900 0.263 0.000 1.071 185 G CA -0.322 44.931 45.100 0.255 0.000 1.812 185 G HN 0.045 nan 8.290 nan 0.000 0.643 186 T N 0.396 115.123 114.554 0.287 0.000 2.866 186 T HA -0.044 4.314 4.350 0.012 0.000 0.293 186 T C 0.440 175.276 174.700 0.227 0.000 1.005 186 T CA 0.563 62.775 62.100 0.186 0.000 1.162 186 T CB 0.993 69.881 68.868 0.033 0.000 0.968 186 T HN 0.516 nan 8.240 nan 0.000 0.530 187 Y N 2.231 122.603 120.300 0.120 0.000 2.740 187 Y HA 0.311 4.868 4.550 0.012 0.000 0.257 187 Y C 0.352 176.385 175.900 0.221 0.000 1.064 187 Y CA -0.189 58.046 58.100 0.226 0.000 1.351 187 Y CB 0.763 39.399 38.460 0.293 0.000 1.439 187 Y HN 0.516 nan 8.280 nan 0.000 0.488 188 D N 1.081 121.514 120.400 0.056 0.000 2.454 188 D HA 0.230 4.878 4.640 0.012 0.000 0.247 188 D C 0.783 177.048 176.300 -0.059 0.000 1.129 188 D CA -0.092 53.762 54.000 -0.244 0.000 0.877 188 D CB 0.926 41.604 40.800 -0.203 0.000 1.082 188 D HN 0.424 nan 8.370 nan 0.000 0.537 189 L N 2.065 123.143 121.223 -0.242 0.000 2.043 189 L HA -0.147 4.200 4.340 0.012 0.000 0.212 189 L C 1.418 178.398 176.870 0.183 0.000 1.075 189 L CA 1.311 55.987 54.840 -0.273 0.000 0.752 189 L CB -0.225 41.139 42.059 -1.158 0.000 0.891 189 L HN 0.533 nan 8.230 nan 0.000 0.432 190 W N -0.495 120.924 121.300 0.199 0.000 2.961 190 W HA -0.070 4.598 4.660 0.013 0.000 0.240 190 W C 0.645 177.395 176.519 0.385 0.000 1.305 190 W CA -0.427 57.050 57.345 0.219 0.000 1.465 190 W CB -0.167 29.253 29.460 -0.066 0.000 1.135 190 W HN 0.041 nan 8.180 nan 0.000 0.688 191 D N 0.816 121.557 120.400 0.569 0.000 2.412 191 D HA 0.151 4.799 4.640 0.012 0.000 0.224 191 D C 0.062 176.676 176.300 0.523 0.000 1.093 191 D CA -0.109 54.293 54.000 0.669 0.000 0.850 191 D CB 0.602 41.779 40.800 0.629 0.000 1.046 191 D HN 0.023 nan 8.370 nan 0.000 0.507 192 L N 3.385 124.895 121.223 0.479 0.000 2.978 192 L HA 0.373 4.720 4.340 0.012 0.000 0.239 192 L C 1.129 178.175 176.870 0.294 0.000 1.293 192 L CA -0.364 54.701 54.840 0.376 0.000 1.085 192 L CB -0.201 42.040 42.059 0.303 0.000 1.432 192 L HN 0.708 nan 8.230 nan 0.000 0.512 193 G N 1.263 110.224 108.800 0.268 0.000 2.291 193 G HA2 -0.269 3.698 3.960 0.012 0.000 0.271 193 G HA3 -0.269 3.698 3.960 0.012 0.000 0.271 193 G C 0.384 175.335 174.900 0.084 0.000 1.099 193 G CA 0.547 45.757 45.100 0.183 0.000 0.919 193 G HN 0.612 nan 8.290 nan 0.000 0.496 194 E N -1.336 118.853 120.200 -0.018 0.000 2.453 194 E HA 0.419 4.777 4.350 0.012 0.000 0.211 194 E C 0.167 176.414 176.600 -0.588 0.000 0.897 194 E CA -0.167 55.999 56.400 -0.390 0.000 1.063 194 E CB 0.413 29.713 29.700 -0.667 0.000 1.080 194 E HN 0.442 nan 8.360 nan 0.000 0.512 195 F N 0.799 120.876 119.950 0.213 0.000 2.551 195 F HA 0.275 4.809 4.527 0.012 0.000 0.316 195 F C -0.220 175.679 175.800 0.166 0.000 1.089 195 F CA -1.410 56.706 58.000 0.193 0.000 0.915 195 F CB 1.341 40.481 39.000 0.233 0.000 1.186 195 F HN -0.234 nan 8.300 nan 0.000 0.456 196 D N 3.015 123.608 120.400 0.323 0.000 2.344 196 D HA 0.191 4.839 4.640 0.012 0.000 0.253 196 D C -0.901 175.533 176.300 0.222 0.000 1.255 196 D CA 0.478 54.603 54.000 0.209 0.000 0.894 196 D CB 0.238 41.130 40.800 0.152 0.000 1.067 196 D HN 0.565 nan 8.370 nan 0.000 0.492 197 Q N 2.852 122.767 119.800 0.192 0.000 2.327 197 Q HA 0.210 4.558 4.340 0.012 0.000 0.265 197 Q C -0.409 175.618 176.000 0.045 0.000 0.993 197 Q CA -0.970 54.929 55.803 0.160 0.000 0.885 197 Q CB 1.828 30.761 28.738 0.325 0.000 1.379 197 Q HN 0.140 nan 8.270 nan 0.000 0.408 198 K N 0.067 120.428 120.400 -0.065 0.000 3.192 198 K HA -0.207 4.120 4.320 0.012 0.000 0.278 198 K C 0.485 177.064 176.600 -0.035 0.000 1.164 198 K CA 1.123 57.345 56.287 -0.108 0.000 0.816 198 K CB -1.996 30.410 32.500 -0.157 0.000 1.256 198 K HN 1.245 nan 8.250 nan 0.000 0.497 199 G N -1.281 107.515 108.800 -0.006 0.000 2.148 199 G HA2 -0.312 3.655 3.960 0.012 0.000 0.254 199 G HA3 -0.312 3.655 3.960 0.012 0.000 0.254 199 G C 0.078 174.986 174.900 0.012 0.000 0.981 199 G CA 1.062 46.166 45.100 0.006 0.000 0.670 199 G HN 0.891 nan 8.290 nan 0.000 0.528 200 T N -2.034 112.536 114.554 0.027 0.000 3.012 200 T HA 0.493 4.850 4.350 0.012 0.000 0.330 200 T C 1.141 175.878 174.700 0.061 0.000 1.321 200 T CA 0.343 62.455 62.100 0.021 0.000 1.067 200 T CB 1.667 70.523 68.868 -0.019 0.000 1.235 200 T HN 0.483 nan 8.240 nan 0.000 0.479 201 V N 4.074 124.021 119.914 0.055 0.000 2.300 201 V HA 0.124 4.251 4.120 0.012 0.000 0.241 201 V C 1.509 177.646 176.094 0.072 0.000 1.034 201 V CA 1.126 63.474 62.300 0.079 0.000 1.021 201 V CB -0.647 31.209 31.823 0.055 0.000 0.662 201 V HN 0.851 nan 8.190 nan 0.000 0.458 202 R N 1.891 122.410 120.500 0.032 0.000 2.641 202 R HA 0.295 4.643 4.340 0.012 0.000 0.269 202 R C 0.429 176.727 176.300 -0.004 0.000 1.074 202 R CA 0.276 56.390 56.100 0.023 0.000 1.133 202 R CB -0.069 30.215 30.300 -0.026 0.000 1.029 202 R HN 0.428 nan 8.270 nan 0.000 0.488 203 T N -1.594 112.966 114.554 0.010 0.000 2.729 203 T HA 0.060 4.418 4.350 0.012 0.000 0.298 203 T C 1.130 175.661 174.700 -0.281 0.000 1.013 203 T CA -0.543 61.517 62.100 -0.067 0.000 0.957 203 T CB 0.841 69.737 68.868 0.048 0.000 1.130 203 T HN 0.787 nan 8.240 nan 0.000 0.526 204 K N -0.498 119.600 120.400 -0.502 0.000 2.103 204 K HA -0.167 4.160 4.320 0.012 0.000 0.207 204 K C 1.765 177.827 176.600 -0.896 0.000 1.048 204 K CA 1.631 57.455 56.287 -0.771 0.000 0.930 204 K CB -0.364 31.495 32.500 -1.068 0.000 0.716 204 K HN 0.786 nan 8.250 nan 0.000 0.444 205 Y N -0.785 119.156 120.300 -0.599 0.000 2.448 205 Y HA 0.181 4.738 4.550 0.012 0.000 0.289 205 Y C 1.341 176.549 175.900 -1.154 0.000 1.114 205 Y CA 0.173 57.627 58.100 -1.076 0.000 1.235 205 Y CB 0.761 38.146 38.460 -1.791 0.000 1.045 205 Y HN 0.248 nan 8.280 nan 0.000 0.554 206 G N -0.585 107.926 108.800 -0.480 0.000 2.345 206 G HA2 0.235 4.203 3.960 0.012 0.000 0.285 206 G HA3 0.235 4.203 3.960 0.012 0.000 0.285 206 G C -0.963 174.060 174.900 0.205 0.000 1.297 206 G CA -0.547 44.495 45.100 -0.096 0.000 0.875 206 G HN 0.050 nan 8.290 nan 0.000 0.506 207 T N -1.344 113.351 114.554 0.236 0.000 2.849 207 T HA 0.446 4.804 4.350 0.012 0.000 0.284 207 T C 1.394 176.214 174.700 0.200 0.000 1.004 207 T CA 0.523 62.735 62.100 0.186 0.000 1.021 207 T CB 1.852 70.777 68.868 0.095 0.000 1.013 207 T HN 0.765 nan 8.240 nan 0.000 0.527 208 K N 0.820 121.285 120.400 0.110 0.000 2.063 208 K HA -0.105 4.222 4.320 0.012 0.000 0.208 208 K C 2.316 178.901 176.600 -0.024 0.000 1.048 208 K CA 1.715 58.028 56.287 0.043 0.000 0.928 208 K CB -1.093 31.438 32.500 0.051 0.000 0.713 208 K HN 0.820 nan 8.250 nan 0.000 0.442 209 G N 0.992 109.793 108.800 0.003 0.000 2.453 209 G HA2 -0.270 3.697 3.960 0.012 0.000 0.215 209 G HA3 -0.270 3.697 3.960 0.012 0.000 0.215 209 G C 1.125 176.007 174.900 -0.029 0.000 1.201 209 G CA 0.939 46.029 45.100 -0.017 0.000 0.784 209 G HN 0.435 nan 8.290 nan 0.000 0.545 210 E N -0.239 119.981 120.200 0.033 0.000 2.147 210 E HA -0.205 4.152 4.350 0.012 0.000 0.199 210 E C 2.355 178.941 176.600 -0.023 0.000 1.005 210 E CA 1.174 57.619 56.400 0.075 0.000 0.810 210 E CB -0.199 29.636 29.700 0.224 0.000 0.736 210 E HN 0.380 nan 8.360 nan 0.000 0.460 211 L N 1.251 122.349 121.223 -0.207 0.000 2.044 211 L HA -0.115 4.233 4.340 0.012 0.000 0.205 211 L C 1.887 178.467 176.870 -0.484 0.000 1.075 211 L CA 1.769 56.203 54.840 -0.678 0.000 0.747 211 L CB -0.230 41.293 42.059 -0.892 0.000 0.903 211 L HN -0.013 nan 8.230 nan 0.000 0.435 212 E N -0.335 119.669 120.200 -0.326 0.000 2.118 212 E HA -0.252 4.105 4.350 0.012 0.000 0.195 212 E C 1.964 178.413 176.600 -0.251 0.000 0.992 212 E CA 1.160 57.384 56.400 -0.293 0.000 0.804 212 E CB -0.324 29.258 29.700 -0.197 0.000 0.741 212 E HN 0.622 nan 8.360 nan 0.000 0.458 213 N N 0.676 119.270 118.700 -0.177 0.000 2.007 213 N HA -0.220 4.527 4.740 0.012 0.000 0.197 213 N C 1.983 177.391 175.510 -0.171 0.000 1.050 213 N CA 1.566 54.537 53.050 -0.131 0.000 0.856 213 N CB -0.084 38.365 38.487 -0.063 0.000 1.050 213 N HN 0.094 nan 8.380 nan 0.000 0.423 214 A N 1.320 124.028 122.820 -0.188 0.000 1.948 214 A HA -0.149 4.179 4.320 0.012 0.000 0.220 214 A C 2.259 179.657 177.584 -0.310 0.000 1.177 214 A CA 1.234 53.154 52.037 -0.195 0.000 0.636 214 A CB -0.684 18.209 19.000 -0.178 0.000 0.815 214 A HN 0.403 nan 8.150 nan 0.000 0.449 215 I N -0.259 120.035 120.570 -0.460 0.000 2.252 215 I HA -0.208 3.969 4.170 0.012 0.000 0.245 215 I C 1.883 177.619 176.117 -0.636 0.000 1.102 215 I CA 1.340 62.234 61.300 -0.676 0.000 1.385 215 I CB -0.480 37.012 38.000 -0.846 0.000 1.064 215 I HN 0.255 nan 8.210 nan 0.000 0.414 216 D N 1.436 121.602 120.400 -0.391 0.000 2.084 216 D HA -0.175 4.472 4.640 0.012 0.000 0.194 216 D C 2.300 178.514 176.300 -0.145 0.000 0.990 216 D CA 1.649 55.519 54.000 -0.216 0.000 0.826 216 D CB -0.525 40.188 40.800 -0.145 0.000 0.971 216 D HN 0.313 nan 8.370 nan 0.000 0.453 217 A N 0.958 123.696 122.820 -0.137 0.000 1.896 217 A HA -0.240 4.087 4.320 0.012 0.000 0.220 217 A C 2.440 179.979 177.584 -0.075 0.000 1.206 217 A CA 1.748 53.735 52.037 -0.083 0.000 0.647 217 A CB -1.089 17.870 19.000 -0.068 0.000 0.828 217 A HN 0.249 nan 8.150 nan 0.000 0.455 218 L N -2.161 118.984 121.223 -0.131 0.000 2.072 218 L HA -0.146 4.201 4.340 0.012 0.000 0.205 218 L C 2.524 179.390 176.870 -0.007 0.000 1.079 218 L CA 1.519 56.303 54.840 -0.094 0.000 0.752 218 L CB -0.657 41.303 42.059 -0.164 0.000 0.906 218 L HN 0.543 nan 8.230 nan 0.000 0.436 219 H N -0.980 118.004 119.070 -0.143 0.000 2.421 219 H HA -0.139 4.425 4.556 0.012 0.000 0.298 219 H C 1.963 177.237 175.328 -0.091 0.000 1.087 219 H CA 0.646 56.616 56.048 -0.130 0.000 1.330 219 H CB 0.181 29.855 29.762 -0.147 0.000 1.388 219 H HN 0.316 nan 8.280 nan 0.000 0.526 220 N N 1.297 120.026 118.700 0.049 0.000 2.223 220 N HA -0.128 4.619 4.740 0.012 0.000 0.185 220 N C 0.497 176.010 175.510 0.005 0.000 1.016 220 N CA 1.134 54.191 53.050 0.011 0.000 0.863 220 N CB -0.062 38.421 38.487 -0.006 0.000 0.983 220 N HN 0.405 nan 8.380 nan 0.000 0.429 221 N N 0.818 119.522 118.700 0.007 0.000 2.251 221 N HA 0.065 4.812 4.740 0.012 0.000 0.217 221 N C -0.802 174.710 175.510 0.002 0.000 1.124 221 N CA -0.066 52.989 53.050 0.008 0.000 0.843 221 N CB 0.437 38.934 38.487 0.015 0.000 1.024 221 N HN 0.045 nan 8.380 nan 0.000 0.501 222 D N 0.452 120.847 120.400 -0.008 0.000 2.775 222 D HA -0.166 4.481 4.640 0.012 0.000 0.235 222 D C -0.849 175.428 176.300 -0.038 0.000 1.120 222 D CA 0.641 54.623 54.000 -0.031 0.000 0.708 222 D CB -0.810 39.974 40.800 -0.026 0.000 1.084 222 D HN 0.330 nan 8.370 nan 0.000 0.434 223 I N 1.092 121.645 120.570 -0.028 0.000 2.406 223 I HA 0.223 4.400 4.170 0.012 0.000 0.290 223 I C 0.701 176.775 176.117 -0.071 0.000 0.999 223 I CA -0.835 60.431 61.300 -0.057 0.000 1.124 223 I CB 1.678 39.656 38.000 -0.036 0.000 1.289 223 I HN -0.276 nan 8.210 nan 0.000 0.441 224 K N 4.860 125.140 120.400 -0.200 0.000 2.107 224 K HA 0.597 4.925 4.320 0.012 0.000 0.251 224 K C -0.684 175.680 176.600 -0.393 0.000 1.012 224 K CA -0.590 55.541 56.287 -0.260 0.000 0.920 224 K CB 1.699 33.976 32.500 -0.372 0.000 1.033 224 K HN 0.293 nan 8.250 nan 0.000 0.478 225 V N 2.278 121.999 119.914 -0.323 0.000 2.488 225 V HA 0.209 4.336 4.120 0.012 0.000 0.293 225 V C -1.332 174.832 176.094 0.116 0.000 1.027 225 V CA -1.031 61.114 62.300 -0.257 0.000 0.862 225 V CB 0.765 32.345 31.823 -0.406 0.000 1.008 225 V HN 0.474 nan 8.190 nan 0.000 0.428 226 Y N 3.587 124.004 120.300 0.195 0.000 2.323 226 Y HA 0.584 5.142 4.550 0.012 0.000 0.331 226 Y C -0.163 175.876 175.900 0.230 0.000 1.092 226 Y CA -1.959 56.256 58.100 0.192 0.000 1.150 226 Y CB 1.201 39.757 38.460 0.160 0.000 1.200 226 Y HN 0.617 nan 8.280 nan 0.000 0.472 227 F N 2.845 122.750 119.950 -0.076 0.000 2.394 227 F HA 0.253 4.787 4.527 0.013 0.000 0.340 227 F C 0.269 176.154 175.800 0.141 0.000 1.105 227 F CA -0.511 57.306 58.000 -0.304 0.000 1.124 227 F CB 0.767 39.166 39.000 -1.002 0.000 1.145 227 F HN 0.413 nan 8.300 nan 0.000 0.505 228 D N 5.199 125.621 120.400 0.038 0.000 2.479 228 D HA 0.294 4.941 4.640 0.012 0.000 0.218 228 D C -0.846 175.729 176.300 0.457 0.000 1.131 228 D CA -0.023 54.157 54.000 0.299 0.000 0.916 228 D CB 0.704 41.670 40.800 0.277 0.000 1.022 228 D HN 0.592 nan 8.370 nan 0.000 0.515 229 A N 3.423 126.655 122.820 0.688 0.000 2.276 229 A HA 0.433 4.761 4.320 0.012 0.000 0.300 229 A C -0.157 177.598 177.584 0.285 0.000 1.235 229 A CA -0.558 51.863 52.037 0.640 0.000 0.867 229 A CB 0.832 20.240 19.000 0.680 0.000 1.137 229 A HN 0.334 nan 8.150 nan 0.000 0.527 230 V N 5.343 125.355 119.914 0.163 0.000 2.277 230 V HA 0.177 4.304 4.120 0.012 0.000 0.269 230 V C 0.594 176.600 176.094 -0.145 0.000 1.036 230 V CA 0.115 62.446 62.300 0.051 0.000 0.821 230 V CB 0.535 32.416 31.823 0.096 0.000 1.052 230 V HN 0.918 nan 8.190 nan 0.000 0.462 231 L N 2.982 124.116 121.223 -0.148 0.000 2.693 231 L HA 0.196 4.543 4.340 0.012 0.000 0.235 231 L C 1.989 178.866 176.870 0.012 0.000 1.127 231 L CA 0.220 54.979 54.840 -0.135 0.000 0.914 231 L CB -0.003 41.919 42.059 -0.228 0.000 1.193 231 L HN 0.658 nan 8.230 nan 0.000 0.502 232 N N 0.314 118.966 118.700 -0.079 0.000 2.250 232 N HA -0.092 4.655 4.740 0.012 0.000 0.181 232 N C 0.618 176.165 175.510 0.061 0.000 1.017 232 N CA 0.794 53.875 53.050 0.053 0.000 0.866 232 N CB 0.309 38.825 38.487 0.048 0.000 0.985 232 N HN 0.446 nan 8.380 nan 0.000 0.429 233 H N -3.159 115.946 119.070 0.059 0.000 2.966 233 H HA 0.596 5.160 4.556 0.012 0.000 0.330 233 H C -0.906 174.381 175.328 -0.068 0.000 1.292 233 H CA -1.101 54.957 56.048 0.016 0.000 1.127 233 H CB 0.908 30.660 29.762 -0.017 0.000 1.863 233 H HN -0.177 nan 8.280 nan 0.000 0.543 234 R N 0.722 121.289 120.500 0.111 0.000 2.771 234 R HA 0.560 4.907 4.340 0.012 0.000 0.274 234 R C -0.806 175.563 176.300 0.116 0.000 0.987 234 R CA -0.917 55.142 56.100 -0.068 0.000 0.908 234 R CB 2.745 32.617 30.300 -0.714 0.000 1.213 234 R HN 0.743 nan 8.270 nan 0.000 0.468 235 M N -0.810 118.961 119.600 0.285 0.000 2.631 235 M HA 0.374 4.862 4.480 0.012 0.000 0.288 235 M C 0.183 176.774 176.300 0.485 0.000 1.260 235 M CA -0.265 55.226 55.300 0.318 0.000 0.842 235 M CB 2.479 35.189 32.600 0.184 0.000 1.743 235 M HN 0.790 nan 8.290 nan 0.000 0.461 236 G N 1.471 110.411 108.800 0.233 0.000 2.295 236 G HA2 -0.091 3.876 3.960 0.012 0.000 0.287 236 G HA3 -0.091 3.876 3.960 0.012 0.000 0.287 236 G C 0.007 174.963 174.900 0.093 0.000 1.055 236 G CA 0.275 45.438 45.100 0.104 0.000 0.922 236 G HN 1.091 nan 8.290 nan 0.000 0.503 237 A N -0.481 122.211 122.820 -0.214 0.000 2.466 237 A HA 0.489 4.816 4.320 0.012 0.000 0.238 237 A C 1.411 178.791 177.584 -0.339 0.000 1.074 237 A CA 0.766 52.111 52.037 -1.153 0.000 0.774 237 A CB 0.377 18.666 19.000 -1.185 0.000 1.015 237 A HN 0.305 nan 8.150 nan 0.000 0.498 238 D N -0.721 119.448 120.400 -0.385 0.000 2.117 238 D HA 0.025 4.672 4.640 0.012 0.000 0.198 238 D C 0.253 176.664 176.300 0.185 0.000 0.982 238 D CA 2.268 56.264 54.000 -0.007 0.000 0.828 238 D CB -0.092 40.739 40.800 0.052 0.000 0.967 238 D HN 0.702 nan 8.370 nan 0.000 0.464 239 Y N -1.882 118.403 120.300 -0.026 0.000 2.615 239 Y HA 0.685 5.243 4.550 0.013 0.000 0.341 239 Y C -0.783 174.920 175.900 -0.328 0.000 1.089 239 Y CA -1.763 56.285 58.100 -0.088 0.000 1.049 239 Y CB 0.946 39.334 38.460 -0.120 0.000 1.296 239 Y HN -0.135 nan 8.280 nan 0.000 0.470 240 A N 0.964 123.360 122.820 -0.707 0.000 2.252 240 A HA 0.797 5.124 4.320 0.012 0.000 0.305 240 A C -0.806 176.579 177.584 -0.332 0.000 1.097 240 A CA -0.621 50.890 52.037 -0.878 0.000 0.849 240 A CB 0.828 18.832 19.000 -1.660 0.000 1.142 240 A HN 0.829 nan 8.150 nan 0.000 0.499 241 E N -0.853 119.149 120.200 -0.331 0.000 2.375 241 E HA 0.326 4.683 4.350 0.012 0.000 0.280 241 E C -1.525 174.948 176.600 -0.212 0.000 0.972 241 E CA -0.631 55.668 56.400 -0.169 0.000 0.782 241 E CB 2.186 31.830 29.700 -0.094 0.000 1.229 241 E HN 0.574 nan 8.360 nan 0.000 0.439 242 T N 1.574 116.049 114.554 -0.131 0.000 2.761 242 T HA 0.336 4.693 4.350 0.012 0.000 0.296 242 T C -0.381 174.318 174.700 -0.002 0.000 0.934 242 T CA -0.345 61.723 62.100 -0.054 0.000 1.091 242 T CB 0.358 69.230 68.868 0.005 0.000 0.896 242 T HN 0.106 nan 8.240 nan 0.000 0.515 243 V N 4.802 124.726 119.914 0.017 0.000 2.525 243 V HA 0.379 4.506 4.120 0.012 0.000 0.299 243 V C -0.148 175.955 176.094 0.015 0.000 1.034 243 V CA -1.154 61.103 62.300 -0.071 0.000 0.863 243 V CB 1.690 33.244 31.823 -0.448 0.000 0.999 243 V HN 0.734 nan 8.190 nan 0.000 0.423 244 L N 5.815 126.975 121.223 -0.104 0.000 2.426 244 L HA 0.426 4.773 4.340 0.012 0.000 0.271 244 L C -0.455 176.292 176.870 -0.206 0.000 1.169 244 L CA 0.629 55.170 54.840 -0.499 0.000 0.836 244 L CB 0.419 42.111 42.059 -0.611 0.000 1.112 244 L HN 0.555 nan 8.230 nan 0.000 0.465 245 L N 4.393 125.509 121.223 -0.179 0.000 2.309 245 L HA 0.355 4.702 4.340 0.012 0.000 0.282 245 L C 0.348 177.180 176.870 -0.063 0.000 1.036 245 L CA -0.701 54.119 54.840 -0.034 0.000 0.806 245 L CB 1.290 43.348 42.059 -0.001 0.000 1.220 245 L HN 0.678 nan 8.230 nan 0.000 0.429 246 D N 1.721 122.103 120.400 -0.031 0.000 2.419 246 D HA -0.085 4.562 4.640 0.012 0.000 0.236 246 D C 0.729 177.010 176.300 -0.032 0.000 1.165 246 D CA -0.077 53.896 54.000 -0.045 0.000 0.882 246 D CB 1.174 41.935 40.800 -0.065 0.000 1.201 246 D HN 0.527 nan 8.370 nan 0.000 0.443 247 E N 1.833 122.016 120.200 -0.028 0.000 2.265 247 E HA -0.149 4.208 4.350 0.012 0.000 0.196 247 E C 1.000 177.605 176.600 0.008 0.000 0.996 247 E CA 0.892 57.285 56.400 -0.011 0.000 0.832 247 E CB -0.221 29.474 29.700 -0.009 0.000 0.756 247 E HN 0.529 nan 8.360 nan 0.000 0.491 248 N N 0.280 118.983 118.700 0.004 0.000 2.398 248 N HA -0.010 4.738 4.740 0.012 0.000 0.188 248 N C 0.260 175.797 175.510 0.045 0.000 1.122 248 N CA -0.250 52.817 53.050 0.028 0.000 0.866 248 N CB 0.389 38.890 38.487 0.023 0.000 0.970 248 N HN -0.140 nan 8.380 nan 0.000 0.462 249 S N 0.973 116.692 115.700 0.032 0.000 2.549 249 S HA 0.087 4.564 4.470 0.012 0.000 0.279 249 S C 1.353 176.012 174.600 0.098 0.000 1.321 249 S CA -0.444 57.797 58.200 0.069 0.000 1.054 249 S CB 1.257 64.502 63.200 0.076 0.000 0.899 249 S HN 0.253 nan 8.310 nan 0.000 0.497 250 R N 2.410 122.986 120.500 0.126 0.000 2.066 250 R HA -0.038 4.309 4.340 0.012 0.000 0.232 250 R C -0.417 175.924 176.300 0.069 0.000 1.131 250 R CA 1.263 57.419 56.100 0.092 0.000 0.955 250 R CB -0.063 30.285 30.300 0.080 0.000 0.851 250 R HN 0.639 nan 8.270 nan 0.000 0.432 251 D N 0.401 120.847 120.400 0.076 0.000 2.181 251 D HA 0.156 4.804 4.640 0.012 0.000 0.248 251 D C -0.323 176.118 176.300 0.235 0.000 1.020 251 D CA -0.350 53.723 54.000 0.120 0.000 0.891 251 D CB 1.486 42.290 40.800 0.008 0.000 1.187 251 D HN -0.043 nan 8.370 nan 0.000 0.443 252 K N -0.054 120.455 120.400 0.183 0.000 3.078 252 K HA -0.145 4.182 4.320 0.012 0.000 0.261 252 K C -2.282 174.355 176.600 0.062 0.000 0.947 252 K CA 0.135 56.491 56.287 0.114 0.000 0.702 252 K CB -1.180 31.377 32.500 0.095 0.000 1.318 252 K HN 0.369 nan 8.250 nan 0.000 0.473 253 P HA -0.062 nan 4.420 nan 0.000 0.265 253 P C 0.975 178.265 177.300 -0.018 0.000 1.193 253 P CA 1.378 64.492 63.100 0.022 0.000 0.765 253 P CB 0.991 32.707 31.700 0.027 0.000 0.823 254 G N 1.526 110.292 108.800 -0.056 0.000 2.180 254 G HA2 -0.242 3.725 3.960 0.012 0.000 0.263 254 G HA3 -0.242 3.725 3.960 0.012 0.000 0.263 254 G C 0.248 175.065 174.900 -0.139 0.000 0.989 254 G CA 0.073 45.109 45.100 -0.106 0.000 0.692 254 G HN 0.622 nan 8.290 nan 0.000 0.526 255 Q N -1.152 118.582 119.800 -0.110 0.000 2.212 255 Q HA 0.547 4.895 4.340 0.012 0.000 0.238 255 Q C -0.450 175.457 176.000 -0.154 0.000 0.955 255 Q CA -0.501 55.252 55.803 -0.084 0.000 0.906 255 Q CB 1.008 29.728 28.738 -0.030 0.000 1.215 255 Q HN 0.385 nan 8.270 nan 0.000 0.478 256 Y N 0.642 120.934 120.300 -0.013 0.000 2.334 256 Y HA 0.423 4.981 4.550 0.012 0.000 0.328 256 Y C 0.524 176.482 175.900 0.098 0.000 1.130 256 Y CA -0.564 57.553 58.100 0.029 0.000 1.163 256 Y CB 1.090 39.575 38.460 0.042 0.000 1.207 256 Y HN 0.465 nan 8.280 nan 0.000 0.471 257 I N -0.270 120.435 120.570 0.225 0.000 3.145 257 I HA 0.720 4.898 4.170 0.012 0.000 0.313 257 I C -1.408 174.587 176.117 -0.203 0.000 1.122 257 I CA -1.485 59.845 61.300 0.050 0.000 0.987 257 I CB 2.240 40.083 38.000 -0.262 0.000 1.236 257 I HN 0.233 nan 8.210 nan 0.000 0.453 258 K N 3.007 123.053 120.400 -0.589 0.000 2.389 258 K HA 0.761 5.089 4.320 0.012 0.000 0.261 258 K C -1.095 175.286 176.600 -0.364 0.000 1.014 258 K CA -0.388 55.460 56.287 -0.732 0.000 0.920 258 K CB 1.140 32.849 32.500 -1.317 0.000 1.149 258 K HN 0.821 nan 8.250 nan 0.000 0.444 259 A N 4.030 126.702 122.820 -0.247 0.000 2.276 259 A HA 0.429 4.756 4.320 0.012 0.000 0.316 259 A C -1.149 176.370 177.584 -0.108 0.000 1.229 259 A CA -0.695 51.333 52.037 -0.016 0.000 0.851 259 A CB 0.147 19.218 19.000 0.119 0.000 1.165 259 A HN 0.798 nan 8.150 nan 0.000 0.513 260 W N 2.751 124.099 121.300 0.080 0.000 2.290 260 W HA 0.345 5.013 4.660 0.013 0.000 0.408 260 W C 0.933 177.433 176.519 -0.032 0.000 0.966 260 W CA 0.580 57.918 57.345 -0.011 0.000 1.579 260 W CB 0.529 29.991 29.460 0.003 0.000 1.662 260 W HN 0.807 nan 8.180 nan 0.000 0.341 261 T N -1.366 113.210 114.554 0.037 0.000 3.016 261 T HA 0.244 4.601 4.350 0.012 0.000 0.271 261 T C 0.769 175.598 174.700 0.216 0.000 0.968 261 T CA -0.159 62.078 62.100 0.229 0.000 0.891 261 T CB 0.208 69.257 68.868 0.301 0.000 1.149 261 T HN 0.230 nan 8.240 nan 0.000 0.524 262 G N 1.345 109.851 108.800 -0.490 0.000 2.327 262 G HA2 0.550 4.518 3.960 0.012 0.000 0.302 262 G HA3 0.550 4.518 3.960 0.012 0.000 0.302 262 G C -1.199 173.182 174.900 -0.865 0.000 1.113 262 G CA -0.450 44.011 45.100 -1.065 0.000 0.921 262 G HN 0.296 nan 8.290 nan 0.000 0.425 263 F N 1.798 121.573 119.950 -0.291 0.000 2.499 263 F HA 0.310 4.845 4.527 0.012 0.000 0.333 263 F C 0.445 175.910 175.800 -0.558 0.000 1.138 263 F CA -1.401 56.326 58.000 -0.454 0.000 0.945 263 F CB 2.334 40.957 39.000 -0.628 0.000 1.181 263 F HN 0.520 nan 8.300 nan 0.000 0.435 264 N N 1.138 119.611 118.700 -0.378 0.000 2.143 264 N HA 0.163 4.910 4.740 0.012 0.000 0.222 264 N C -0.363 175.099 175.510 -0.080 0.000 1.264 264 N CA -0.574 52.345 53.050 -0.219 0.000 0.897 264 N CB -0.462 38.048 38.487 0.038 0.000 1.092 264 N HN 0.445 nan 8.380 nan 0.000 0.516 265 F N -0.044 120.052 119.950 0.244 0.000 2.797 265 F HA -0.162 4.372 4.527 0.012 0.000 0.273 265 F C -1.324 174.560 175.800 0.140 0.000 1.020 265 F CA -0.284 57.850 58.000 0.224 0.000 0.961 265 F CB -1.530 37.550 39.000 0.134 0.000 1.020 265 F HN 0.096 nan 8.300 nan 0.000 0.840 266 P HA -0.212 nan 4.420 nan 0.000 0.215 266 P C 1.945 179.329 177.300 0.139 0.000 1.157 266 P CA 2.125 65.319 63.100 0.156 0.000 0.874 266 P CB -0.077 31.705 31.700 0.135 0.000 0.790 267 G N -0.066 108.844 108.800 0.184 0.000 2.475 267 G HA2 -0.280 3.687 3.960 0.012 0.000 0.220 267 G HA3 -0.280 3.687 3.960 0.012 0.000 0.220 267 G C 1.858 176.806 174.900 0.080 0.000 1.125 267 G CA 0.850 46.060 45.100 0.185 0.000 0.755 267 G HN 0.316 nan 8.290 nan 0.000 0.565 268 R N -0.290 120.131 120.500 -0.133 0.000 2.156 268 R HA 0.038 4.386 4.340 0.012 0.000 0.207 268 R C 0.859 176.926 176.300 -0.387 0.000 1.040 268 R CA 0.453 56.091 56.100 -0.771 0.000 1.013 268 R CB -0.079 29.668 30.300 -0.921 0.000 0.931 268 R HN 0.150 nan 8.270 nan 0.000 0.465 269 N N 0.198 118.825 118.700 -0.120 0.000 2.727 269 N HA -0.168 4.579 4.740 0.012 0.000 0.251 269 N C 0.216 175.672 175.510 -0.090 0.000 1.040 269 N CA 1.130 54.148 53.050 -0.053 0.000 0.712 269 N CB -1.201 37.277 38.487 -0.016 0.000 0.912 269 N HN 0.719 nan 8.380 nan 0.000 0.545 270 G N -0.329 108.411 108.800 -0.100 0.000 2.184 270 G HA2 -0.351 3.616 3.960 0.012 0.000 0.264 270 G HA3 -0.351 3.616 3.960 0.012 0.000 0.264 270 G C -0.050 174.719 174.900 -0.219 0.000 0.975 270 G CA 0.721 45.748 45.100 -0.122 0.000 0.642 270 G HN 0.675 nan 8.290 nan 0.000 0.536 271 E N -0.341 119.691 120.200 -0.280 0.000 2.465 271 E HA 0.354 4.712 4.350 0.012 0.000 0.260 271 E C 1.161 177.486 176.600 -0.459 0.000 0.980 271 E CA 0.375 56.537 56.400 -0.397 0.000 0.927 271 E CB -0.015 29.474 29.700 -0.352 0.000 0.934 271 E HN 0.576 nan 8.360 nan 0.000 0.459 272 Y N 0.372 120.474 120.300 -0.329 0.000 2.865 272 Y HA -0.383 4.174 4.550 0.013 0.000 0.480 272 Y C 0.457 175.754 175.900 -1.005 0.000 1.252 272 Y CA 1.099 58.799 58.100 -0.668 0.000 2.596 272 Y CB -1.264 36.657 38.460 -0.899 0.000 0.917 272 Y HN 0.463 nan 8.280 nan 0.000 0.522 273 S N 0.507 115.714 115.700 -0.822 0.000 2.566 273 S HA 0.482 4.959 4.470 0.012 0.000 0.273 273 S C -0.285 174.129 174.600 -0.310 0.000 1.157 273 S CA -0.224 57.546 58.200 -0.718 0.000 0.938 273 S CB 1.036 63.452 63.200 -1.308 0.000 1.087 273 S HN 0.412 nan 8.310 nan 0.000 0.474 274 N N 3.763 122.387 118.700 -0.127 0.000 2.251 274 N HA 0.110 4.858 4.740 0.012 0.000 0.217 274 N C -0.222 175.337 175.510 0.082 0.000 1.124 274 N CA -0.467 52.571 53.050 -0.021 0.000 0.843 274 N CB -0.311 38.154 38.487 -0.037 0.000 1.024 274 N HN 0.524 nan 8.380 nan 0.000 0.501 275 F N 2.606 122.541 119.950 -0.025 0.000 2.529 275 F HA 0.263 4.797 4.527 0.012 0.000 0.365 275 F C 0.684 176.571 175.800 0.146 0.000 1.102 275 F CA 0.068 58.070 58.000 0.004 0.000 1.271 275 F CB 0.711 39.698 39.000 -0.021 0.000 1.120 275 F HN 0.106 nan 8.300 nan 0.000 0.579 276 T N 1.432 115.612 114.554 -0.622 0.000 2.916 276 T HA 0.525 4.882 4.350 0.012 0.000 0.292 276 T C -1.447 172.803 174.700 -0.750 0.000 1.064 276 T CA -0.792 61.117 62.100 -0.318 0.000 1.011 276 T CB 1.234 70.039 68.868 -0.106 0.000 1.152 276 T HN 0.553 nan 8.240 nan 0.000 0.510 277 W N 2.250 123.358 121.300 -0.320 0.000 2.632 277 W HA 0.646 5.313 4.660 0.013 0.000 0.328 277 W C 0.029 176.524 176.519 -0.040 0.000 1.044 277 W CA -0.231 56.984 57.345 -0.218 0.000 1.225 277 W CB 1.665 31.124 29.460 -0.001 0.000 1.396 277 W HN 1.073 nan 8.180 nan 0.000 0.499 278 N N -0.536 118.234 118.700 0.117 0.000 3.278 278 N HA 0.454 5.201 4.740 0.012 0.000 0.307 278 N C 1.131 176.804 175.510 0.272 0.000 1.551 278 N CA -0.306 52.864 53.050 0.200 0.000 0.794 278 N CB -0.193 38.348 38.487 0.090 0.000 1.770 278 N HN 0.451 nan 8.380 nan 0.000 0.612 279 G N -0.401 108.521 108.800 0.204 0.000 2.728 279 G HA2 -0.353 3.614 3.960 0.012 0.000 0.224 279 G HA3 -0.353 3.614 3.960 0.012 0.000 0.224 279 G C 0.824 175.790 174.900 0.110 0.000 1.123 279 G CA 1.237 46.383 45.100 0.077 0.000 0.755 279 G HN 0.567 nan 8.290 nan 0.000 0.622 280 Q N -0.901 118.917 119.800 0.031 0.000 2.425 280 Q HA 0.090 4.437 4.340 0.012 0.000 0.204 280 Q C 2.287 178.255 176.000 -0.054 0.000 0.933 280 Q CA 0.244 56.048 55.803 0.001 0.000 0.939 280 Q CB -0.008 28.705 28.738 -0.041 0.000 1.044 280 Q HN 0.587 nan 8.270 nan 0.000 0.513 281 C N 0.249 119.456 119.300 -0.155 0.000 2.576 281 C HA 0.228 4.695 4.460 0.012 0.000 0.267 281 C C 0.600 175.283 174.990 -0.511 0.000 1.364 281 C CA -0.112 58.653 59.018 -0.423 0.000 1.723 281 C CB -1.173 26.185 27.740 -0.637 0.000 1.778 281 C HN 0.146 nan 8.230 nan 0.000 0.572 282 F N -0.196 119.910 119.950 0.261 0.000 2.599 282 F HA 0.319 4.853 4.527 0.012 0.000 0.311 282 F C 0.698 176.655 175.800 0.262 0.000 1.076 282 F CA -0.762 57.414 58.000 0.293 0.000 0.937 282 F CB 1.075 40.344 39.000 0.449 0.000 1.282 282 F HN -0.188 nan 8.300 nan 0.000 0.460 283 D N 0.615 121.189 120.400 0.290 0.000 2.301 283 D HA 0.297 4.945 4.640 0.012 0.000 0.206 283 D C 0.816 176.823 176.300 -0.488 0.000 0.979 283 D CA 0.893 54.884 54.000 -0.015 0.000 0.874 283 D CB 0.824 41.662 40.800 0.063 0.000 0.968 283 D HN 0.720 nan 8.370 nan 0.000 0.510 284 G N -1.446 107.068 108.800 -0.477 0.000 2.341 284 G HA2 0.402 4.370 3.960 0.012 0.000 0.299 284 G HA3 0.402 4.370 3.960 0.012 0.000 0.299 284 G C -1.287 173.411 174.900 -0.336 0.000 1.274 284 G CA -0.097 44.375 45.100 -1.046 0.000 0.853 284 G HN 0.004 nan 8.290 nan 0.000 0.493 285 T N -1.411 113.028 114.554 -0.192 0.000 2.739 285 T HA 0.499 4.857 4.350 0.012 0.000 0.303 285 T C -0.960 173.777 174.700 0.061 0.000 1.389 285 T CA 0.583 62.760 62.100 0.128 0.000 1.001 285 T CB 1.769 70.794 68.868 0.261 0.000 1.436 285 T HN 0.779 nan 8.240 nan 0.000 0.500 286 D N -0.345 120.207 120.400 0.253 0.000 2.433 286 D HA 0.135 4.782 4.640 0.012 0.000 0.211 286 D C 0.081 176.641 176.300 0.432 0.000 1.114 286 D CA -0.221 53.876 54.000 0.163 0.000 0.837 286 D CB 0.322 41.278 40.800 0.260 0.000 0.984 286 D HN 0.399 nan 8.370 nan 0.000 0.505 287 W N 1.717 123.226 121.300 0.349 0.000 2.683 287 W HA 0.408 5.076 4.660 0.012 0.000 0.329 287 W C -1.811 174.894 176.519 0.310 0.000 1.037 287 W CA -0.763 56.781 57.345 0.333 0.000 1.232 287 W CB 1.982 31.576 29.460 0.223 0.000 1.390 287 W HN -0.255 nan 8.180 nan 0.000 0.465 288 D N 3.644 123.787 120.400 -0.428 0.000 2.414 288 D HA 0.090 4.738 4.640 0.012 0.000 0.232 288 D C 0.243 176.087 176.300 -0.761 0.000 1.070 288 D CA -0.009 53.681 54.000 -0.517 0.000 0.839 288 D CB 1.347 41.871 40.800 -0.461 0.000 1.079 288 D HN 0.264 nan 8.370 nan 0.000 0.521 289 D N 2.414 122.578 120.400 -0.393 0.000 2.349 289 D HA -0.011 4.636 4.640 0.012 0.000 0.224 289 D C 0.874 177.149 176.300 -0.042 0.000 1.029 289 D CA 0.516 54.481 54.000 -0.058 0.000 0.879 289 D CB 0.125 41.136 40.800 0.352 0.000 0.906 289 D HN 0.557 nan 8.370 nan 0.000 0.528 290 Y N 0.089 120.325 120.300 -0.108 0.000 2.138 290 Y HA -0.123 4.435 4.550 0.012 0.000 0.286 290 Y C 2.714 178.558 175.900 -0.093 0.000 1.115 290 Y CA 1.008 59.063 58.100 -0.075 0.000 1.105 290 Y CB -0.209 38.200 38.460 -0.084 0.000 1.004 290 Y HN -0.002 nan 8.280 nan 0.000 0.494 291 S N -0.657 115.065 115.700 0.037 0.000 2.522 291 S HA -0.045 4.432 4.470 0.012 0.000 0.227 291 S C 0.553 175.084 174.600 -0.115 0.000 0.986 291 S CA 0.350 58.528 58.200 -0.036 0.000 0.929 291 S CB -0.159 63.012 63.200 -0.049 0.000 0.769 291 S HN 0.260 nan 8.310 nan 0.000 0.529 292 K N 0.809 121.046 120.400 -0.271 0.000 3.125 292 K HA -0.135 4.193 4.320 0.012 0.000 0.268 292 K C -0.799 175.448 176.600 -0.589 0.000 1.078 292 K CA 0.924 56.975 56.287 -0.392 0.000 0.775 292 K CB -2.397 30.151 32.500 0.080 0.000 1.253 292 K HN 0.768 nan 8.250 nan 0.000 0.486 293 E N -0.285 119.463 120.200 -0.753 0.000 2.288 293 E HA 0.423 4.780 4.350 0.012 0.000 0.268 293 E C -0.615 175.886 176.600 -0.165 0.000 0.885 293 E CA -0.738 55.487 56.400 -0.292 0.000 0.767 293 E CB 1.655 31.318 29.700 -0.062 0.000 1.220 293 E HN 0.052 nan 8.360 nan 0.000 0.427 294 S N 0.403 116.193 115.700 0.150 0.000 2.610 294 S HA 0.806 5.284 4.470 0.012 0.000 0.273 294 S C 0.009 174.599 174.600 -0.016 0.000 1.274 294 S CA -0.349 57.991 58.200 0.233 0.000 1.023 294 S CB 1.520 64.875 63.200 0.258 0.000 0.962 294 S HN 0.678 nan 8.310 nan 0.000 0.523 295 G N 0.909 109.534 108.800 -0.292 0.000 2.490 295 G HA2 0.485 4.453 3.960 0.012 0.000 0.308 295 G HA3 0.485 4.453 3.960 0.012 0.000 0.308 295 G C -1.924 172.521 174.900 -0.758 0.000 1.286 295 G CA -0.747 43.966 45.100 -0.646 0.000 0.825 295 G HN 0.592 nan 8.290 nan 0.000 0.479 296 K N 0.288 120.226 120.400 -0.771 0.000 2.483 296 K HA 0.601 4.928 4.320 0.012 0.000 0.256 296 K C -1.738 174.573 176.600 -0.481 0.000 0.961 296 K CA -0.648 55.249 56.287 -0.650 0.000 0.873 296 K CB 0.944 33.229 32.500 -0.359 0.000 1.107 296 K HN 0.506 nan 8.250 nan 0.000 0.432 297 Y N 4.235 124.423 120.300 -0.186 0.000 2.328 297 Y HA 0.314 4.871 4.550 0.013 0.000 0.336 297 Y C -0.482 175.315 175.900 -0.173 0.000 0.960 297 Y CA -1.363 56.680 58.100 -0.096 0.000 1.134 297 Y CB 1.633 40.064 38.460 -0.048 0.000 1.166 297 Y HN 0.419 nan 8.280 nan 0.000 0.464 298 L N 4.845 126.072 121.223 0.007 0.000 2.282 298 L HA 0.512 4.859 4.340 0.012 0.000 0.288 298 L C -1.065 175.748 176.870 -0.096 0.000 1.033 298 L CA -0.477 54.164 54.840 -0.331 0.000 0.807 298 L CB 0.107 41.890 42.059 -0.460 0.000 1.209 298 L HN 0.476 nan 8.230 nan 0.000 0.423 299 F N 2.581 122.428 119.950 -0.171 0.000 2.484 299 F HA 0.081 4.615 4.527 0.013 0.000 0.360 299 F C 0.944 176.665 175.800 -0.131 0.000 1.101 299 F CA -0.878 57.059 58.000 -0.106 0.000 1.251 299 F CB 0.571 39.541 39.000 -0.049 0.000 1.132 299 F HN 0.585 nan 8.300 nan 0.000 0.570 300 D N 3.344 123.789 120.400 0.075 0.000 2.658 300 D HA -0.114 4.533 4.640 0.012 0.000 0.230 300 D C 0.373 176.668 176.300 -0.008 0.000 1.118 300 D CA 1.210 55.202 54.000 -0.014 0.000 0.848 300 D CB 0.229 40.992 40.800 -0.062 0.000 1.160 300 D HN 0.671 nan 8.370 nan 0.000 0.497 301 E N -0.302 119.882 120.200 -0.027 0.000 3.673 301 E HA -0.242 4.116 4.350 0.012 0.000 0.309 301 E C -0.292 176.291 176.600 -0.029 0.000 0.819 301 E CA 0.649 57.035 56.400 -0.025 0.000 1.111 301 E CB -0.600 29.090 29.700 -0.017 0.000 1.561 301 E HN 0.439 nan 8.360 nan 0.000 0.450 302 K N 1.201 121.574 120.400 -0.045 0.000 2.118 302 K HA 0.428 4.755 4.320 0.012 0.000 0.267 302 K C 0.224 176.718 176.600 -0.177 0.000 0.991 302 K CA -0.220 56.017 56.287 -0.084 0.000 0.916 302 K CB 1.677 34.136 32.500 -0.070 0.000 1.041 302 K HN 0.141 nan 8.250 nan 0.000 0.455 303 S N 0.311 115.930 115.700 -0.136 0.000 2.500 303 S HA 0.435 4.912 4.470 0.012 0.000 0.301 303 S C -0.622 173.947 174.600 -0.051 0.000 1.092 303 S CA -1.023 57.097 58.200 -0.132 0.000 1.030 303 S CB 0.594 63.800 63.200 0.010 0.000 1.031 303 S HN 0.529 nan 8.310 nan 0.000 0.483 304 W N 2.143 123.460 121.300 0.028 0.000 2.257 304 W HA 0.124 4.792 4.660 0.013 0.000 0.337 304 W C 0.228 176.773 176.519 0.043 0.000 1.321 304 W CA -0.285 57.073 57.345 0.022 0.000 1.267 304 W CB 0.370 29.812 29.460 -0.029 0.000 1.187 304 W HN 0.594 nan 8.180 nan 0.000 0.565 305 D N 1.628 122.233 120.400 0.342 0.000 2.357 305 D HA -0.005 4.642 4.640 0.012 0.000 0.242 305 D C -0.196 176.255 176.300 0.251 0.000 1.153 305 D CA -0.102 54.040 54.000 0.237 0.000 0.918 305 D CB 0.433 41.346 40.800 0.189 0.000 1.181 305 D HN 0.133 nan 8.370 nan 0.000 0.435 306 W N 1.413 122.623 121.300 -0.150 0.000 2.381 306 W HA 0.192 4.859 4.660 0.012 0.000 0.321 306 W C 0.807 177.171 176.519 -0.258 0.000 1.407 306 W CA -0.445 56.726 57.345 -0.291 0.000 1.274 306 W CB -0.719 28.414 29.460 -0.544 0.000 1.310 306 W HN 0.088 nan 8.180 nan 0.000 0.551 307 T N -0.190 114.496 114.554 0.221 0.000 2.903 307 T HA 0.184 4.541 4.350 0.012 0.000 0.299 307 T C 0.340 175.355 174.700 0.524 0.000 1.093 307 T CA -0.734 61.604 62.100 0.397 0.000 1.002 307 T CB 1.598 70.585 68.868 0.199 0.000 1.127 307 T HN 0.325 nan 8.240 nan 0.000 0.488 308 Y N 2.315 122.853 120.300 0.397 0.000 2.139 308 Y HA -0.071 4.486 4.550 0.012 0.000 0.282 308 Y C 0.505 176.512 175.900 0.178 0.000 1.179 308 Y CA 1.630 59.867 58.100 0.230 0.000 1.161 308 Y CB -0.177 38.473 38.460 0.317 0.000 0.970 308 Y HN 0.602 nan 8.280 nan 0.000 0.511 309 N N -0.847 117.882 118.700 0.049 0.000 2.370 309 N HA 0.017 4.764 4.740 0.012 0.000 0.303 309 N C -1.039 174.527 175.510 0.094 0.000 1.103 309 N CA -0.612 52.419 53.050 -0.030 0.000 0.848 309 N CB 0.553 39.038 38.487 -0.003 0.000 1.235 309 N HN 0.310 nan 8.380 nan 0.000 0.496 310 W N 1.472 122.736 121.300 -0.060 0.000 2.210 310 W HA -0.061 4.606 4.660 0.012 0.000 0.330 310 W C 0.354 176.865 176.519 -0.013 0.000 1.334 310 W CA 0.903 58.233 57.345 -0.025 0.000 1.227 310 W CB 0.292 29.727 29.460 -0.041 0.000 1.178 310 W HN 0.723 nan 8.180 nan 0.000 0.560 311 D N 2.274 122.469 120.400 -0.342 0.000 2.837 311 D HA -0.235 4.412 4.640 0.012 0.000 0.230 311 D C 0.433 176.629 176.300 -0.173 0.000 1.152 311 D CA 1.483 55.342 54.000 -0.235 0.000 0.736 311 D CB -0.953 39.846 40.800 -0.002 0.000 1.084 311 D HN 0.650 nan 8.370 nan 0.000 0.429 312 E N -0.793 119.351 120.200 -0.093 0.000 2.501 312 E HA 0.012 4.370 4.350 0.012 0.000 0.201 312 E C 1.080 177.734 176.600 0.090 0.000 1.016 312 E CA -0.056 56.365 56.400 0.035 0.000 0.920 312 E CB 0.391 30.161 29.700 0.116 0.000 1.023 312 E HN 0.304 nan 8.360 nan 0.000 0.474 313 D N 0.667 121.034 120.400 -0.054 0.000 2.104 313 D HA -0.204 4.443 4.640 0.012 0.000 0.194 313 D C 0.124 176.347 176.300 -0.129 0.000 0.994 313 D CA 0.985 54.990 54.000 0.007 0.000 0.830 313 D CB -0.012 40.853 40.800 0.108 0.000 0.959 313 D HN 0.092 nan 8.370 nan 0.000 0.452 314 Y N 0.457 120.429 120.300 -0.546 0.000 2.436 314 Y HA 0.287 4.845 4.550 0.012 0.000 0.336 314 Y C 0.606 176.301 175.900 -0.343 0.000 1.049 314 Y CA -0.259 57.508 58.100 -0.555 0.000 1.294 314 Y CB 0.818 38.709 38.460 -0.949 0.000 1.179 314 Y HN -0.013 nan 8.280 nan 0.000 0.520 315 L N 5.954 126.445 121.223 -1.221 0.000 2.666 315 L HA 0.469 4.816 4.340 0.012 0.000 0.184 315 L C -0.431 175.922 176.870 -0.861 0.000 1.092 315 L CA 0.832 55.148 54.840 -0.873 0.000 0.857 315 L CB 0.266 41.927 42.059 -0.663 0.000 1.281 315 L HN 0.704 nan 8.230 nan 0.000 0.489 316 M N -2.199 116.873 119.600 -0.879 0.000 2.643 316 M HA 0.609 5.097 4.480 0.012 0.000 0.276 316 M C 0.028 176.120 176.300 -0.347 0.000 1.200 316 M CA -0.151 54.873 55.300 -0.461 0.000 0.863 316 M CB 1.185 33.573 32.600 -0.353 0.000 1.711 316 M HN 0.352 nan 8.290 nan 0.000 0.492 317 G N 1.096 109.839 108.800 -0.095 0.000 2.642 317 G HA2 0.196 4.164 3.960 0.012 0.000 0.231 317 G HA3 0.196 4.164 3.960 0.012 0.000 0.231 317 G C -0.428 174.536 174.900 0.107 0.000 1.338 317 G CA -0.079 44.994 45.100 -0.044 0.000 0.883 317 G HN 1.943 nan 8.290 nan 0.000 0.570 318 A N -0.016 122.808 122.820 0.006 0.000 2.309 318 A HA 0.581 4.909 4.320 0.012 0.000 0.290 318 A C 0.085 177.666 177.584 -0.004 0.000 1.206 318 A CA 0.770 52.707 52.037 -0.166 0.000 0.850 318 A CB 0.559 19.106 19.000 -0.756 0.000 1.118 318 A HN 0.984 nan 8.150 nan 0.000 0.523 319 D N 2.659 123.215 120.400 0.260 0.000 2.325 319 D HA 0.352 4.999 4.640 0.012 0.000 0.251 319 D C 0.111 176.729 176.300 0.530 0.000 1.196 319 D CA 0.003 54.235 54.000 0.387 0.000 0.866 319 D CB 0.790 41.897 40.800 0.512 0.000 1.101 319 D HN 0.296 nan 8.370 nan 0.000 0.476 320 V N 3.837 123.983 119.914 0.387 0.000 2.694 320 V HA -0.028 4.100 4.120 0.012 0.000 0.306 320 V C 0.596 176.627 176.094 -0.106 0.000 1.054 320 V CA 0.200 62.550 62.300 0.084 0.000 1.161 320 V CB 0.917 32.552 31.823 -0.314 0.000 0.916 320 V HN 0.603 nan 8.190 nan 0.000 0.490 321 D N 3.252 123.526 120.400 -0.211 0.000 2.479 321 D HA 0.185 4.832 4.640 0.012 0.000 0.218 321 D C 0.303 176.397 176.300 -0.342 0.000 1.131 321 D CA -0.215 53.694 54.000 -0.151 0.000 0.916 321 D CB 0.186 40.944 40.800 -0.070 0.000 1.022 321 D HN 0.526 nan 8.370 nan 0.000 0.515 322 Y N 1.445 121.670 120.300 -0.124 0.000 2.578 322 Y HA 0.046 4.604 4.550 0.012 0.000 0.297 322 Y C 1.729 177.516 175.900 -0.189 0.000 1.176 322 Y CA 0.245 58.169 58.100 -0.294 0.000 1.315 322 Y CB 0.304 38.524 38.460 -0.400 0.000 1.031 322 Y HN 0.428 nan 8.280 nan 0.000 0.524 323 E N -0.093 120.081 120.200 -0.043 0.000 2.347 323 E HA -0.129 4.229 4.350 0.012 0.000 0.196 323 E C 0.672 177.224 176.600 -0.080 0.000 1.008 323 E CA 0.109 56.469 56.400 -0.066 0.000 0.852 323 E CB 0.007 29.666 29.700 -0.069 0.000 0.783 323 E HN 0.192 nan 8.360 nan 0.000 0.505 324 N N 1.633 120.260 118.700 -0.122 0.000 2.430 324 N HA -0.054 4.694 4.740 0.012 0.000 0.265 324 N C 0.421 175.849 175.510 -0.137 0.000 1.100 324 N CA 0.363 53.334 53.050 -0.132 0.000 0.961 324 N CB 1.057 39.441 38.487 -0.172 0.000 1.075 324 N HN 0.037 nan 8.380 nan 0.000 0.478 325 E N 2.705 122.850 120.200 -0.092 0.000 2.158 325 E HA -0.076 4.281 4.350 0.012 0.000 0.191 325 E C 1.289 177.828 176.600 -0.102 0.000 0.982 325 E CA 0.702 57.062 56.400 -0.066 0.000 0.823 325 E CB 0.119 29.795 29.700 -0.039 0.000 0.766 325 E HN 0.762 nan 8.360 nan 0.000 0.468 326 A N 0.865 123.611 122.820 -0.124 0.000 1.902 326 A HA -0.128 4.200 4.320 0.012 0.000 0.217 326 A C 2.472 179.750 177.584 -0.511 0.000 1.181 326 A CA 1.099 53.025 52.037 -0.185 0.000 0.623 326 A CB -0.603 18.421 19.000 0.041 0.000 0.818 326 A HN 0.107 nan 8.150 nan 0.000 0.443 327 V N 0.057 119.700 119.914 -0.453 0.000 2.270 327 V HA -0.318 3.810 4.120 0.012 0.000 0.245 327 V C 2.664 178.525 176.094 -0.389 0.000 1.043 327 V CA 2.267 64.178 62.300 -0.649 0.000 1.014 327 V CB -0.948 30.521 31.823 -0.591 0.000 0.645 327 V HN 0.654 nan 8.190 nan 0.000 0.447 328 Q N -0.107 119.561 119.800 -0.220 0.000 2.112 328 Q HA -0.251 4.096 4.340 0.012 0.000 0.206 328 Q C 2.178 178.273 176.000 0.158 0.000 0.987 328 Q CA 1.815 57.629 55.803 0.017 0.000 0.858 328 Q CB -0.338 28.500 28.738 0.168 0.000 0.905 328 Q HN 0.608 nan 8.270 nan 0.000 0.420 329 N N 0.716 119.412 118.700 -0.008 0.000 2.142 329 N HA -0.153 4.595 4.740 0.012 0.000 0.186 329 N C 1.333 176.841 175.510 -0.003 0.000 1.023 329 N CA 1.467 54.519 53.050 0.004 0.000 0.852 329 N CB -0.364 38.087 38.487 -0.060 0.000 0.998 329 N HN 0.261 nan 8.380 nan 0.000 0.424 330 D N 0.171 120.438 120.400 -0.221 0.000 2.117 330 D HA -0.068 4.580 4.640 0.012 0.000 0.197 330 D C 1.813 178.255 176.300 0.237 0.000 0.987 330 D CA 0.679 54.623 54.000 -0.094 0.000 0.829 330 D CB 0.157 40.615 40.800 -0.569 0.000 0.961 330 D HN -0.058 nan 8.370 nan 0.000 0.460 331 V N 0.368 120.404 119.914 0.203 0.000 2.515 331 V HA -0.163 3.964 4.120 0.012 0.000 0.250 331 V C 2.395 178.869 176.094 0.634 0.000 1.058 331 V CA 1.083 63.615 62.300 0.387 0.000 1.064 331 V CB -0.373 31.677 31.823 0.379 0.000 0.675 331 V HN 0.302 nan 8.190 nan 0.000 0.461 332 I N 0.072 120.967 120.570 0.542 0.000 2.286 332 I HA -0.210 3.967 4.170 0.012 0.000 0.248 332 I C 2.224 178.475 176.117 0.223 0.000 1.115 332 I CA 1.422 62.928 61.300 0.344 0.000 1.392 332 I CB -0.360 37.772 38.000 0.220 0.000 1.065 332 I HN 0.287 nan 8.210 nan 0.000 0.418 333 D N -0.301 120.283 120.400 0.308 0.000 2.117 333 D HA -0.230 4.418 4.640 0.012 0.000 0.198 333 D C 1.689 178.268 176.300 0.465 0.000 0.982 333 D CA 1.064 55.281 54.000 0.361 0.000 0.828 333 D CB -0.282 40.764 40.800 0.411 0.000 0.967 333 D HN 0.467 nan 8.370 nan 0.000 0.464 334 W N 1.902 123.270 121.300 0.113 0.000 2.354 334 W HA -0.115 4.552 4.660 0.012 0.000 0.315 334 W C 2.329 178.830 176.519 -0.030 0.000 1.206 334 W CA 2.277 59.400 57.345 -0.370 0.000 1.290 334 W CB -0.621 28.342 29.460 -0.828 0.000 1.152 334 W HN -0.004 nan 8.180 nan 0.000 0.489 335 G N 0.413 109.423 108.800 0.349 0.000 2.624 335 G HA2 -0.442 3.526 3.960 0.012 0.000 0.221 335 G HA3 -0.442 3.526 3.960 0.012 0.000 0.221 335 G C 1.317 176.124 174.900 -0.155 0.000 1.169 335 G CA 1.630 46.687 45.100 -0.071 0.000 0.771 335 G HN 0.461 nan 8.290 nan 0.000 0.598 336 Q N -1.374 118.381 119.800 -0.075 0.000 2.050 336 Q HA -0.138 4.209 4.340 0.012 0.000 0.202 336 Q C 2.220 178.258 176.000 0.063 0.000 0.980 336 Q CA 1.469 57.267 55.803 -0.009 0.000 0.840 336 Q CB -0.289 28.477 28.738 0.046 0.000 0.898 336 Q HN 0.661 nan 8.270 nan 0.000 0.424 337 W N 1.070 122.319 121.300 -0.084 0.000 2.318 337 W HA -0.245 4.422 4.660 0.012 0.000 0.313 337 W C 1.587 177.959 176.519 -0.245 0.000 1.221 337 W CA 1.193 58.489 57.345 -0.081 0.000 1.266 337 W CB -0.227 29.256 29.460 0.039 0.000 1.150 337 W HN 0.103 nan 8.180 nan 0.000 0.496 338 I N 0.226 120.524 120.570 -0.453 0.000 2.226 338 I HA -0.305 3.872 4.170 0.012 0.000 0.245 338 I C 2.209 178.101 176.117 -0.375 0.000 1.100 338 I CA 1.376 62.245 61.300 -0.718 0.000 1.374 338 I CB -1.543 35.749 38.000 -1.180 0.000 1.057 338 I HN -0.004 nan 8.210 nan 0.000 0.413 339 I N 0.752 121.175 120.570 -0.245 0.000 2.235 339 I HA -0.185 3.992 4.170 0.012 0.000 0.241 339 I C 2.146 178.194 176.117 -0.114 0.000 1.085 339 I CA 1.249 62.461 61.300 -0.147 0.000 1.378 339 I CB -1.463 36.476 38.000 -0.101 0.000 1.076 339 I HN 0.238 nan 8.210 nan 0.000 0.415 340 N N 1.203 119.849 118.700 -0.091 0.000 2.250 340 N HA -0.103 4.644 4.740 0.012 0.000 0.181 340 N C 1.536 177.006 175.510 -0.067 0.000 1.017 340 N CA 1.118 54.136 53.050 -0.053 0.000 0.866 340 N CB -0.242 38.243 38.487 -0.003 0.000 0.985 340 N HN 0.432 nan 8.380 nan 0.000 0.429 341 N N -0.240 118.380 118.700 -0.133 0.000 2.508 341 N HA 0.166 4.913 4.740 0.012 0.000 0.186 341 N C 1.035 176.358 175.510 -0.313 0.000 1.034 341 N CA 0.244 53.193 53.050 -0.170 0.000 0.885 341 N CB 0.338 38.751 38.487 -0.122 0.000 1.135 341 N HN 0.031 nan 8.380 nan 0.000 0.435 342 I N 0.635 120.903 120.570 -0.502 0.000 3.684 342 I HA 0.070 4.248 4.170 0.012 0.000 0.304 342 I C 0.092 176.034 176.117 -0.292 0.000 1.278 342 I CA 0.633 61.663 61.300 -0.449 0.000 1.272 342 I CB -1.027 36.623 38.000 -0.583 0.000 1.029 342 I HN 0.182 nan 8.210 nan 0.000 0.458 343 D N 0.538 120.815 120.400 -0.205 0.000 3.017 343 D HA -0.243 4.404 4.640 0.012 0.000 0.220 343 D C -0.056 176.167 176.300 -0.128 0.000 1.141 343 D CA 0.355 54.277 54.000 -0.131 0.000 0.848 343 D CB -1.410 39.309 40.800 -0.134 0.000 1.102 343 D HN 0.124 nan 8.370 nan 0.000 0.427 344 F N 0.324 120.127 119.950 -0.244 0.000 2.403 344 F HA 0.284 4.818 4.527 0.012 0.000 0.320 344 F C 2.038 177.733 175.800 -0.175 0.000 1.176 344 F CA 0.232 58.097 58.000 -0.224 0.000 1.206 344 F CB 0.550 39.345 39.000 -0.342 0.000 1.235 344 F HN -0.133 nan 8.300 nan 0.000 0.565 345 D N 0.391 120.868 120.400 0.129 0.000 2.433 345 D HA 0.286 4.933 4.640 0.012 0.000 0.211 345 D C 0.556 176.908 176.300 0.086 0.000 1.114 345 D CA 0.402 54.446 54.000 0.074 0.000 0.837 345 D CB 0.908 41.755 40.800 0.079 0.000 0.984 345 D HN 0.638 nan 8.370 nan 0.000 0.505 346 G N 0.174 108.964 108.800 -0.017 0.000 2.320 346 G HA2 0.400 4.368 3.960 0.012 0.000 0.296 346 G HA3 0.400 4.368 3.960 0.012 0.000 0.296 346 G C -2.013 172.638 174.900 -0.415 0.000 1.306 346 G CA -0.911 44.058 45.100 -0.220 0.000 0.836 346 G HN -0.015 nan 8.290 nan 0.000 0.517 347 F N -0.088 119.843 119.950 -0.031 0.000 2.578 347 F HA 0.704 5.238 4.527 0.012 0.000 0.311 347 F C 0.386 176.234 175.800 0.080 0.000 1.094 347 F CA -0.857 57.237 58.000 0.156 0.000 0.923 347 F CB 2.548 41.754 39.000 0.344 0.000 1.230 347 F HN 0.580 nan 8.300 nan 0.000 0.450 348 R N 2.980 123.634 120.500 0.257 0.000 2.404 348 R HA 0.671 5.018 4.340 0.012 0.000 0.291 348 R C -1.703 174.756 176.300 0.265 0.000 1.025 348 R CA -0.445 55.715 56.100 0.099 0.000 0.991 348 R CB 0.830 30.980 30.300 -0.251 0.000 1.053 348 R HN 0.851 nan 8.270 nan 0.000 0.479 349 L N 4.230 125.563 121.223 0.183 0.000 2.313 349 L HA 0.237 4.584 4.340 0.012 0.000 0.273 349 L C -0.449 176.518 176.870 0.161 0.000 1.028 349 L CA -0.751 54.170 54.840 0.135 0.000 0.871 349 L CB 1.281 43.362 42.059 0.038 0.000 1.242 349 L HN 0.762 nan 8.230 nan 0.000 0.434 350 D N 3.227 123.763 120.400 0.227 0.000 2.414 350 D HA 0.305 4.952 4.640 0.012 0.000 0.242 350 D C 0.885 177.290 176.300 0.174 0.000 1.129 350 D CA 0.606 54.767 54.000 0.269 0.000 0.885 350 D CB 0.994 42.019 40.800 0.376 0.000 1.198 350 D HN 0.704 nan 8.370 nan 0.000 0.437 351 A N 2.483 125.412 122.820 0.183 0.000 2.687 351 A HA -0.193 4.135 4.320 0.012 0.000 0.299 351 A C 1.456 179.119 177.584 0.132 0.000 1.497 351 A CA 0.741 52.898 52.037 0.201 0.000 0.751 351 A CB -1.914 17.230 19.000 0.240 0.000 1.048 351 A HN 0.585 nan 8.150 nan 0.000 0.464 352 V N 0.619 120.570 119.914 0.061 0.000 2.515 352 V HA -0.204 3.924 4.120 0.012 0.000 0.250 352 V C 2.407 178.557 176.094 0.094 0.000 1.058 352 V CA 2.681 65.024 62.300 0.072 0.000 1.064 352 V CB -0.310 31.576 31.823 0.105 0.000 0.675 352 V HN 0.934 nan 8.190 nan 0.000 0.461 353 K N -1.617 118.689 120.400 -0.158 0.000 2.459 353 K HA -0.061 4.266 4.320 0.012 0.000 0.193 353 K C 1.079 177.546 176.600 -0.221 0.000 1.030 353 K CA 0.891 57.089 56.287 -0.148 0.000 1.026 353 K CB -0.262 31.924 32.500 -0.524 0.000 0.809 353 K HN 0.568 nan 8.250 nan 0.000 0.504 354 H N 0.820 119.933 119.070 0.073 0.000 2.537 354 H HA 0.330 4.894 4.556 0.012 0.000 0.295 354 H C -0.216 175.168 175.328 0.094 0.000 1.054 354 H CA 0.036 56.115 56.048 0.051 0.000 1.156 354 H CB -0.067 29.684 29.762 -0.018 0.000 1.468 354 H HN 0.158 nan 8.280 nan 0.000 0.551 355 I N 0.742 121.424 120.570 0.186 0.000 2.619 355 I HA 0.023 4.200 4.170 0.012 0.000 0.292 355 I C 0.084 176.298 176.117 0.161 0.000 1.100 355 I CA -1.049 60.355 61.300 0.174 0.000 1.043 355 I CB 2.776 40.812 38.000 0.060 0.000 1.239 355 I HN -0.093 nan 8.210 nan 0.000 0.420 356 D N 5.233 125.734 120.400 0.168 0.000 2.661 356 D HA -0.163 4.484 4.640 0.012 0.000 0.244 356 D C 0.976 177.313 176.300 0.062 0.000 1.196 356 D CA 0.709 54.766 54.000 0.095 0.000 0.881 356 D CB 0.529 41.405 40.800 0.125 0.000 1.141 356 D HN 0.483 nan 8.370 nan 0.000 0.530 357 Y N 4.031 124.400 120.300 0.115 0.000 2.241 357 Y HA -0.216 4.342 4.550 0.012 0.000 0.286 357 Y C 2.115 177.995 175.900 -0.033 0.000 1.166 357 Y CA 1.087 59.193 58.100 0.010 0.000 1.203 357 Y CB -0.587 37.867 38.460 -0.010 0.000 0.977 357 Y HN 0.283 nan 8.280 nan 0.000 0.529 358 R N -0.550 119.932 120.500 -0.029 0.000 2.092 358 R HA -0.088 4.260 4.340 0.012 0.000 0.231 358 R C 2.034 178.300 176.300 -0.056 0.000 1.119 358 R CA 1.628 57.712 56.100 -0.028 0.000 0.970 358 R CB -0.723 29.478 30.300 -0.166 0.000 0.864 358 R HN 0.414 nan 8.270 nan 0.000 0.440 359 F N 1.588 121.453 119.950 -0.141 0.000 2.113 359 F HA -0.125 4.409 4.527 0.012 0.000 0.297 359 F C 1.973 177.658 175.800 -0.192 0.000 1.103 359 F CA 1.119 59.017 58.000 -0.171 0.000 1.248 359 F CB -0.088 38.742 39.000 -0.283 0.000 0.999 359 F HN -0.153 nan 8.300 nan 0.000 0.475 360 I N 0.809 121.141 120.570 -0.396 0.000 2.194 360 I HA -0.320 3.858 4.170 0.012 0.000 0.246 360 I C 2.166 178.077 176.117 -0.343 0.000 1.093 360 I CA 2.162 63.211 61.300 -0.418 0.000 1.355 360 I CB -1.467 36.406 38.000 -0.212 0.000 1.046 360 I HN 0.251 nan 8.210 nan 0.000 0.413 361 D N 0.663 120.916 120.400 -0.245 0.000 2.219 361 D HA -0.227 4.420 4.640 0.012 0.000 0.205 361 D C 2.244 178.412 176.300 -0.221 0.000 0.970 361 D CA 1.200 55.076 54.000 -0.208 0.000 0.851 361 D CB 0.021 40.745 40.800 -0.127 0.000 0.943 361 D HN 0.231 nan 8.370 nan 0.000 0.488 362 K N -1.304 118.930 120.400 -0.276 0.000 2.186 362 K HA -0.076 4.252 4.320 0.012 0.000 0.202 362 K C 1.926 178.395 176.600 -0.218 0.000 1.052 362 K CA 0.571 56.725 56.287 -0.223 0.000 0.965 362 K CB -0.225 32.163 32.500 -0.187 0.000 0.746 362 K HN 0.331 nan 8.250 nan 0.000 0.457 363 W N 1.005 121.914 121.300 -0.653 0.000 2.539 363 W HA -0.004 4.663 4.660 0.012 0.000 0.299 363 W C 1.775 178.047 176.519 -0.412 0.000 1.165 363 W CA 0.685 57.689 57.345 -0.567 0.000 1.400 363 W CB 0.016 28.948 29.460 -0.880 0.000 1.123 363 W HN -0.130 nan 8.180 nan 0.000 0.533 364 M N 0.546 120.153 119.600 0.011 0.000 2.143 364 M HA -0.294 4.194 4.480 0.012 0.000 0.258 364 M C 2.020 178.117 176.300 -0.338 0.000 1.071 364 M CA 2.213 57.246 55.300 -0.445 0.000 1.088 364 M CB -0.744 31.423 32.600 -0.723 0.000 1.360 364 M HN -0.058 nan 8.290 nan 0.000 0.404 365 S N 0.104 115.664 115.700 -0.233 0.000 2.406 365 S HA 0.026 4.504 4.470 0.012 0.000 0.228 365 S C 2.054 176.578 174.600 -0.128 0.000 1.020 365 S CA 1.026 59.136 58.200 -0.149 0.000 0.965 365 S CB -0.226 62.901 63.200 -0.120 0.000 0.798 365 S HN 0.560 nan 8.310 nan 0.000 0.488 366 A N 1.317 124.035 122.820 -0.170 0.000 1.854 366 A HA 0.022 4.349 4.320 0.012 0.000 0.214 366 A C 2.319 179.794 177.584 -0.180 0.000 1.192 366 A CA 1.264 53.211 52.037 -0.150 0.000 0.611 366 A CB -0.976 17.937 19.000 -0.146 0.000 0.832 366 A HN 0.300 nan 8.150 nan 0.000 0.442 367 V N 0.079 119.794 119.914 -0.331 0.000 2.255 367 V HA -0.320 3.807 4.120 0.012 0.000 0.247 367 V C 2.786 178.840 176.094 -0.067 0.000 1.051 367 V CA 2.502 64.622 62.300 -0.300 0.000 1.018 367 V CB -0.877 30.587 31.823 -0.599 0.000 0.641 367 V HN 0.708 nan 8.190 nan 0.000 0.445 368 Q N 0.685 120.511 119.800 0.043 0.000 2.112 368 Q HA -0.225 4.122 4.340 0.012 0.000 0.206 368 Q C 1.938 177.948 176.000 0.016 0.000 0.987 368 Q CA 2.186 58.048 55.803 0.099 0.000 0.858 368 Q CB -0.464 28.366 28.738 0.154 0.000 0.905 368 Q HN 0.630 nan 8.270 nan 0.000 0.420 369 N N -0.678 118.011 118.700 -0.018 0.000 2.381 369 N HA -0.092 4.656 4.740 0.012 0.000 0.182 369 N C 1.422 176.919 175.510 -0.021 0.000 1.025 369 N CA 1.194 54.231 53.050 -0.021 0.000 0.888 369 N CB -0.296 38.172 38.487 -0.032 0.000 0.965 369 N HN 0.448 nan 8.380 nan 0.000 0.438 370 S N -2.010 113.671 115.700 -0.030 0.000 2.522 370 S HA 0.123 4.601 4.470 0.012 0.000 0.227 370 S C 0.871 175.461 174.600 -0.016 0.000 0.986 370 S CA -0.084 58.103 58.200 -0.023 0.000 0.929 370 S CB 0.212 63.393 63.200 -0.031 0.000 0.769 370 S HN 0.034 nan 8.310 nan 0.000 0.529 371 S N -0.173 115.517 115.700 -0.017 0.000 2.599 371 S HA 0.522 5.000 4.470 0.012 0.000 0.287 371 S C 0.121 174.712 174.600 -0.014 0.000 1.105 371 S CA -0.790 57.399 58.200 -0.018 0.000 0.899 371 S CB 1.416 64.600 63.200 -0.027 0.000 1.100 371 S HN 0.237 nan 8.310 nan 0.000 0.482 372 N N 1.542 120.232 118.700 -0.016 0.000 2.396 372 N HA -0.017 4.731 4.740 0.012 0.000 0.180 372 N C 0.725 176.225 175.510 -0.017 0.000 1.028 372 N CA 0.386 53.428 53.050 -0.014 0.000 0.893 372 N CB -0.287 38.191 38.487 -0.016 0.000 0.967 372 N HN 0.603 nan 8.380 nan 0.000 0.440 373 R N 1.307 121.791 120.500 -0.026 0.000 2.590 373 R HA 0.015 4.362 4.340 0.012 0.000 0.274 373 R C -0.722 175.569 176.300 -0.015 0.000 1.061 373 R CA -0.244 55.838 56.100 -0.030 0.000 1.081 373 R CB 0.359 30.629 30.300 -0.050 0.000 0.984 373 R HN -0.179 nan 8.270 nan 0.000 0.448 374 D N 4.119 124.518 120.400 -0.002 0.000 2.455 374 D HA 0.085 4.732 4.640 0.012 0.000 0.234 374 D C -0.493 175.808 176.300 0.003 0.000 1.224 374 D CA -0.304 53.708 54.000 0.019 0.000 0.999 374 D CB 0.428 41.254 40.800 0.043 0.000 1.072 374 D HN 0.326 nan 8.370 nan 0.000 0.514 375 V N 4.910 124.793 119.914 -0.052 0.000 2.529 375 V HA 0.031 4.159 4.120 0.012 0.000 0.292 375 V C 0.577 176.462 176.094 -0.349 0.000 1.028 375 V CA -0.388 61.780 62.300 -0.219 0.000 1.074 375 V CB -0.018 31.577 31.823 -0.379 0.000 0.958 375 V HN 0.349 nan 8.190 nan 0.000 0.481 376 F N 6.304 125.971 119.950 -0.471 0.000 2.396 376 F HA 0.671 5.205 4.527 0.012 0.000 0.343 376 F C -0.551 174.893 175.800 -0.594 0.000 1.104 376 F CA -0.483 57.261 58.000 -0.426 0.000 1.161 376 F CB 0.607 39.331 39.000 -0.459 0.000 1.146 376 F HN 0.348 nan 8.300 nan 0.000 0.522 377 F N 5.443 125.057 119.950 -0.560 0.000 2.561 377 F HA 0.600 5.134 4.527 0.012 0.000 0.313 377 F C -0.930 174.496 175.800 -0.624 0.000 1.126 377 F CA -1.174 56.617 58.000 -0.348 0.000 0.918 377 F CB 2.024 40.948 39.000 -0.127 0.000 1.199 377 F HN 0.290 nan 8.300 nan 0.000 0.444 378 V N 2.623 122.389 119.914 -0.247 0.000 2.569 378 V HA 0.808 4.936 4.120 0.012 0.000 0.301 378 V C -0.491 175.463 176.094 -0.235 0.000 1.044 378 V CA -0.272 61.785 62.300 -0.404 0.000 0.874 378 V CB 1.645 33.075 31.823 -0.654 0.000 1.002 378 V HN 0.861 nan 8.190 nan 0.000 0.424 379 G N 3.859 112.563 108.800 -0.160 0.000 2.356 379 G HA2 0.445 4.412 3.960 0.012 0.000 0.298 379 G HA3 0.445 4.412 3.960 0.012 0.000 0.298 379 G C -0.400 174.545 174.900 0.075 0.000 1.145 379 G CA -0.366 44.730 45.100 -0.007 0.000 0.850 379 G HN 0.824 nan 8.290 nan 0.000 0.487 380 E N 1.297 121.631 120.200 0.223 0.000 1.996 380 E HA 0.447 4.805 4.350 0.012 0.000 0.280 380 E C -0.334 176.338 176.600 0.120 0.000 1.092 380 E CA -0.471 56.138 56.400 0.347 0.000 0.862 380 E CB 0.461 30.353 29.700 0.320 0.000 1.066 380 E HN 0.449 nan 8.360 nan 0.000 0.396 381 A N 6.341 129.198 122.820 0.061 0.000 2.545 381 A HA 0.126 4.453 4.320 0.012 0.000 0.300 381 A C -1.228 176.231 177.584 -0.209 0.000 1.252 381 A CA -0.689 51.210 52.037 -0.230 0.000 0.753 381 A CB 0.335 18.990 19.000 -0.575 0.000 1.144 381 A HN 0.713 nan 8.150 nan 0.000 0.457 382 W N 4.451 125.387 121.300 -0.607 0.000 2.290 382 W HA 0.487 5.154 4.660 0.011 0.000 0.408 382 W C -1.431 174.737 176.519 -0.585 0.000 0.966 382 W CA -0.254 56.435 57.345 -1.094 0.000 1.579 382 W CB 0.583 29.428 29.460 -1.025 0.000 1.662 382 W HN 0.311 nan 8.180 nan 0.000 0.341 383 V N 6.423 126.322 119.914 -0.025 0.000 2.488 383 V HA 0.108 4.235 4.120 0.012 0.000 0.293 383 V C 0.625 176.803 176.094 0.141 0.000 1.027 383 V CA -0.541 61.782 62.300 0.039 0.000 0.862 383 V CB 1.849 33.655 31.823 -0.029 0.000 1.008 383 V HN 0.297 nan 8.190 nan 0.000 0.428 384 E N 1.835 122.125 120.200 0.150 0.000 2.478 384 E HA 0.013 4.370 4.350 0.012 0.000 0.194 384 E C 0.034 176.686 176.600 0.088 0.000 1.045 384 E CA 0.142 56.639 56.400 0.162 0.000 0.868 384 E CB 0.558 30.362 29.700 0.173 0.000 0.885 384 E HN 0.790 nan 8.360 nan 0.000 0.505 385 D N 0.138 120.574 120.400 0.060 0.000 2.232 385 D HA 0.016 4.664 4.640 0.012 0.000 0.242 385 D C 0.955 177.268 176.300 0.023 0.000 1.093 385 D CA -0.275 53.746 54.000 0.034 0.000 0.845 385 D CB 1.896 42.712 40.800 0.027 0.000 1.124 385 D HN -0.126 nan 8.370 nan 0.000 0.467 386 V N 3.222 123.137 119.914 0.003 0.000 2.358 386 V HA -0.138 3.989 4.120 0.012 0.000 0.246 386 V C 1.117 177.171 176.094 -0.066 0.000 1.047 386 V CA 1.725 64.010 62.300 -0.026 0.000 1.035 386 V CB -0.357 31.446 31.823 -0.033 0.000 0.658 386 V HN 0.574 nan 8.190 nan 0.000 0.452 387 D N 0.228 120.598 120.400 -0.051 0.000 2.117 387 D HA -0.168 4.479 4.640 0.012 0.000 0.197 387 D C 1.920 178.209 176.300 -0.019 0.000 0.987 387 D CA 1.904 55.868 54.000 -0.059 0.000 0.829 387 D CB -0.402 40.381 40.800 -0.028 0.000 0.961 387 D HN 0.635 nan 8.370 nan 0.000 0.460 388 D N -0.196 120.222 120.400 0.031 0.000 2.117 388 D HA -0.113 4.535 4.640 0.012 0.000 0.198 388 D C 2.023 178.359 176.300 0.060 0.000 0.982 388 D CA 0.328 54.397 54.000 0.114 0.000 0.828 388 D CB -0.133 40.735 40.800 0.113 0.000 0.967 388 D HN 0.061 nan 8.370 nan 0.000 0.464 389 L N 0.878 122.099 121.223 -0.002 0.000 2.027 389 L HA -0.077 4.271 4.340 0.012 0.000 0.206 389 L C 2.101 178.937 176.870 -0.056 0.000 1.074 389 L CA 1.763 56.588 54.840 -0.025 0.000 0.745 389 L CB -0.481 41.584 42.059 0.009 0.000 0.898 389 L HN -0.101 nan 8.230 nan 0.000 0.433 390 K N -0.507 119.789 120.400 -0.173 0.000 2.044 390 K HA -0.165 4.162 4.320 0.012 0.000 0.210 390 K C 1.984 178.475 176.600 -0.181 0.000 1.049 390 K CA 1.517 57.589 56.287 -0.359 0.000 0.927 390 K CB -1.030 31.023 32.500 -0.746 0.000 0.713 390 K HN 0.530 nan 8.250 nan 0.000 0.443 391 G N 0.579 109.314 108.800 -0.109 0.000 2.479 391 G HA2 -0.266 3.701 3.960 0.012 0.000 0.220 391 G HA3 -0.266 3.701 3.960 0.012 0.000 0.220 391 G C 1.312 176.053 174.900 -0.264 0.000 1.115 391 G CA 0.538 45.627 45.100 -0.017 0.000 0.757 391 G HN 0.298 nan 8.290 nan 0.000 0.560 392 F N 0.807 120.341 119.950 -0.692 0.000 2.187 392 F HA 0.198 4.733 4.527 0.013 0.000 0.295 392 F C 2.377 177.912 175.800 -0.441 0.000 1.091 392 F CA 0.649 58.041 58.000 -1.013 0.000 1.308 392 F CB -0.161 38.298 39.000 -0.902 0.000 1.030 392 F HN 0.028 nan 8.300 nan 0.000 0.487 393 L N 0.377 121.451 121.223 -0.248 0.000 2.013 393 L HA -0.283 4.065 4.340 0.012 0.000 0.212 393 L C 2.120 178.873 176.870 -0.194 0.000 1.073 393 L CA 1.750 56.478 54.840 -0.187 0.000 0.753 393 L CB -0.898 41.216 42.059 0.092 0.000 0.890 393 L HN 0.112 nan 8.230 nan 0.000 0.432 394 D N -0.836 119.503 120.400 -0.101 0.000 2.149 394 D HA -0.156 4.492 4.640 0.012 0.000 0.198 394 D C 2.169 178.360 176.300 -0.181 0.000 0.990 394 D CA 1.613 55.568 54.000 -0.076 0.000 0.839 394 D CB -0.247 40.556 40.800 0.004 0.000 0.948 394 D HN 0.283 nan 8.370 nan 0.000 0.460 395 T N 0.004 114.370 114.554 -0.313 0.000 2.770 395 T HA -0.055 4.302 4.350 0.012 0.000 0.263 395 T C 2.236 176.630 174.700 -0.510 0.000 1.039 395 T CA 0.597 62.444 62.100 -0.422 0.000 1.142 395 T CB -0.290 68.313 68.868 -0.442 0.000 0.868 395 T HN -0.035 nan 8.240 nan 0.000 0.435 396 V N 0.758 120.325 119.914 -0.578 0.000 2.358 396 V HA 0.054 4.182 4.120 0.012 0.000 0.246 396 V C 2.108 178.062 176.094 -0.235 0.000 1.047 396 V CA 1.579 63.631 62.300 -0.413 0.000 1.035 396 V CB -1.377 30.111 31.823 -0.558 0.000 0.658 396 V HN 0.754 nan 8.190 nan 0.000 0.452 397 G N 1.404 110.068 108.800 -0.226 0.000 2.221 397 G HA2 -0.294 3.674 3.960 0.012 0.000 0.265 397 G HA3 -0.294 3.674 3.960 0.012 0.000 0.265 397 G C 0.074 174.899 174.900 -0.126 0.000 1.041 397 G CA 0.513 45.530 45.100 -0.140 0.000 0.807 397 G HN 0.531 nan 8.290 nan 0.000 0.502 398 N N 0.183 118.790 118.700 -0.155 0.000 2.476 398 N HA 0.423 5.171 4.740 0.012 0.000 0.257 398 N C -1.098 174.329 175.510 -0.138 0.000 0.970 398 N CA -1.772 51.187 53.050 -0.152 0.000 0.938 398 N CB 1.930 40.295 38.487 -0.203 0.000 1.144 398 N HN -0.055 nan 8.380 nan 0.000 0.500 399 P HA -0.039 nan 4.420 nan 0.000 0.221 399 P C 0.293 177.545 177.300 -0.080 0.000 1.145 399 P CA 0.922 63.965 63.100 -0.094 0.000 0.795 399 P CB 0.430 32.085 31.700 -0.076 0.000 0.775 400 D N -0.871 119.486 120.400 -0.071 0.000 2.378 400 D HA -0.033 4.614 4.640 0.012 0.000 0.222 400 D C 0.604 176.867 176.300 -0.062 0.000 0.980 400 D CA 0.431 54.419 54.000 -0.020 0.000 0.907 400 D CB -0.262 40.593 40.800 0.092 0.000 0.899 400 D HN 0.182 nan 8.370 nan 0.000 0.527 401 L N 1.578 122.728 121.223 -0.122 0.000 2.295 401 L HA 0.220 4.567 4.340 0.012 0.000 0.288 401 L C 0.126 176.925 176.870 -0.117 0.000 1.079 401 L CA -0.260 54.499 54.840 -0.135 0.000 0.830 401 L CB 0.303 42.272 42.059 -0.151 0.000 1.200 401 L HN -0.291 nan 8.230 nan 0.000 0.438 402 R N 3.356 123.747 120.500 -0.182 0.000 2.549 402 R HA 0.808 5.156 4.340 0.012 0.000 0.267 402 R C -0.928 175.260 176.300 -0.186 0.000 1.045 402 R CA -0.627 55.353 56.100 -0.199 0.000 1.115 402 R CB 1.520 31.604 30.300 -0.361 0.000 1.121 402 R HN 0.557 nan 8.270 nan 0.000 0.543 403 V N -1.451 118.377 119.914 -0.143 0.000 3.007 403 V HA 0.495 4.622 4.120 0.012 0.000 0.311 403 V C -0.524 175.487 176.094 -0.138 0.000 1.120 403 V CA -1.298 60.925 62.300 -0.128 0.000 0.980 403 V CB 1.440 33.294 31.823 0.053 0.000 1.033 403 V HN 0.542 nan 8.190 nan 0.000 0.429 404 F N 1.309 121.284 119.950 0.040 0.000 2.572 404 F HA 0.206 4.741 4.527 0.013 0.000 0.370 404 F C 1.163 177.056 175.800 0.155 0.000 1.103 404 F CA 0.417 58.420 58.000 0.005 0.000 1.286 404 F CB 0.461 39.276 39.000 -0.308 0.000 1.105 404 F HN 0.666 nan 8.300 nan 0.000 0.583 405 D N 4.173 124.808 120.400 0.391 0.000 2.896 405 D HA 0.069 4.716 4.640 0.012 0.000 0.240 405 D C 1.045 177.434 176.300 0.147 0.000 1.193 405 D CA 0.030 54.166 54.000 0.227 0.000 0.983 405 D CB -0.416 40.467 40.800 0.137 0.000 1.074 405 D HN 0.358 nan 8.370 nan 0.000 0.496 406 F N 0.730 120.815 119.950 0.226 0.000 2.192 406 F HA -0.092 4.442 4.527 0.012 0.000 0.301 406 F C -0.583 175.193 175.800 -0.041 0.000 1.079 406 F CA 0.811 58.843 58.000 0.054 0.000 1.303 406 F CB -1.086 37.924 39.000 0.018 0.000 1.024 406 F HN 0.331 nan 8.300 nan 0.000 0.494 407 P HA -0.221 nan 4.420 nan 0.000 0.215 407 P C 1.913 179.160 177.300 -0.088 0.000 1.157 407 P CA 1.223 64.349 63.100 0.043 0.000 0.874 407 P CB -0.037 31.687 31.700 0.040 0.000 0.790 408 L N -0.399 120.716 121.223 -0.179 0.000 2.046 408 L HA -0.108 4.240 4.340 0.012 0.000 0.208 408 L C 2.445 178.856 176.870 -0.765 0.000 1.077 408 L CA 1.806 56.392 54.840 -0.424 0.000 0.747 408 L CB -0.910 40.928 42.059 -0.368 0.000 0.896 408 L HN -0.216 nan 8.230 nan 0.000 0.432 409 R N -0.681 119.444 120.500 -0.625 0.000 2.096 409 R HA -0.163 4.184 4.340 0.012 0.000 0.235 409 R C 2.461 178.570 176.300 -0.318 0.000 1.127 409 R CA 1.454 57.196 56.100 -0.596 0.000 0.968 409 R CB -0.283 29.650 30.300 -0.611 0.000 0.861 409 R HN 0.698 nan 8.270 nan 0.000 0.440 410 S N -0.177 115.422 115.700 -0.168 0.000 2.387 410 S HA -0.226 4.252 4.470 0.012 0.000 0.230 410 S C 1.813 176.332 174.600 -0.135 0.000 1.035 410 S CA 1.282 59.438 58.200 -0.074 0.000 1.014 410 S CB -0.709 62.490 63.200 -0.002 0.000 0.836 410 S HN 0.452 nan 8.310 nan 0.000 0.466 411 F N 1.620 121.368 119.950 -0.336 0.000 2.134 411 F HA 0.076 4.611 4.527 0.014 0.000 0.299 411 F C 1.833 177.503 175.800 -0.216 0.000 1.097 411 F CA 1.411 59.218 58.000 -0.321 0.000 1.264 411 F CB -0.302 38.431 39.000 -0.444 0.000 1.001 411 F HN 0.216 nan 8.300 nan 0.000 0.479 412 F N -1.182 118.752 119.950 -0.026 0.000 2.293 412 F HA -0.175 4.359 4.527 0.011 0.000 0.300 412 F C 2.158 177.839 175.800 -0.199 0.000 1.086 412 F CA 0.415 58.340 58.000 -0.125 0.000 1.375 412 F CB -0.679 38.199 39.000 -0.205 0.000 1.045 412 F HN -0.229 nan 8.300 nan 0.000 0.516 413 V N 0.035 119.927 119.914 -0.036 0.000 2.427 413 V HA -0.290 3.837 4.120 0.012 0.000 0.248 413 V C 2.060 178.064 176.094 -0.150 0.000 1.051 413 V CA 2.086 64.331 62.300 -0.092 0.000 1.048 413 V CB -0.525 31.269 31.823 -0.049 0.000 0.666 413 V HN 0.285 nan 8.190 nan 0.000 0.456 414 D N 0.262 120.522 120.400 -0.233 0.000 2.097 414 D HA -0.189 4.459 4.640 0.012 0.000 0.195 414 D C 2.096 178.225 176.300 -0.285 0.000 0.989 414 D CA 1.549 55.358 54.000 -0.318 0.000 0.827 414 D CB -0.220 40.245 40.800 -0.559 0.000 0.966 414 D HN 0.362 nan 8.370 nan 0.000 0.456 415 M N -0.206 119.224 119.600 -0.283 0.000 2.530 415 M HA -0.110 4.377 4.480 0.012 0.000 0.261 415 M C 2.079 178.306 176.300 -0.122 0.000 1.067 415 M CA 0.457 55.669 55.300 -0.147 0.000 1.071 415 M CB -0.089 32.496 32.600 -0.025 0.000 1.405 415 M HN 0.121 nan 8.290 nan 0.000 0.478 416 L N 0.820 121.943 121.223 -0.166 0.000 2.042 416 L HA -0.234 4.114 4.340 0.012 0.000 0.210 416 L C 1.505 178.321 176.870 -0.091 0.000 1.076 416 L CA 1.286 55.999 54.840 -0.212 0.000 0.749 416 L CB -0.752 41.107 42.059 -0.333 0.000 0.893 416 L HN 0.525 nan 8.230 nan 0.000 0.432 417 N N -0.251 118.414 118.700 -0.059 0.000 2.389 417 N HA 0.261 5.009 4.740 0.012 0.000 0.260 417 N C 0.157 175.654 175.510 -0.023 0.000 1.191 417 N CA 0.390 53.429 53.050 -0.017 0.000 0.885 417 N CB 0.530 39.017 38.487 0.000 0.000 1.162 417 N HN 0.206 nan 8.380 nan 0.000 0.512 418 G N -1.147 107.631 108.800 -0.037 0.000 3.039 418 G HA2 0.414 4.381 3.960 0.012 0.000 0.686 418 G HA3 0.414 4.381 3.960 0.012 0.000 0.686 418 G C -0.856 174.006 174.900 -0.062 0.000 1.066 418 G CA -0.546 44.538 45.100 -0.027 0.000 0.774 418 G HN 0.743 nan 8.290 nan 0.000 0.591 419 A N 1.599 124.381 122.820 -0.063 0.000 2.486 419 A HA 0.835 5.163 4.320 0.012 0.000 0.289 419 A C -0.876 176.745 177.584 0.062 0.000 1.176 419 A CA -0.676 51.290 52.037 -0.118 0.000 0.757 419 A CB 1.416 20.169 19.000 -0.412 0.000 1.337 419 A HN 1.859 nan 8.150 nan 0.000 0.423 420 Y N 2.092 122.409 120.300 0.028 0.000 2.600 420 Y HA 0.222 4.779 4.550 0.011 0.000 0.351 420 Y C 1.228 177.291 175.900 0.272 0.000 1.042 420 Y CA -0.432 57.745 58.100 0.128 0.000 1.333 420 Y CB 0.589 39.109 38.460 0.100 0.000 1.172 420 Y HN 0.583 nan 8.280 nan 0.000 0.517 421 M N 3.115 122.736 119.600 0.035 0.000 2.358 421 M HA -0.132 4.355 4.480 0.012 0.000 0.264 421 M C 2.066 178.444 176.300 0.130 0.000 1.064 421 M CA 1.135 56.534 55.300 0.166 0.000 1.093 421 M CB -1.059 31.612 32.600 0.119 0.000 1.401 421 M HN 0.815 nan 8.290 nan 0.000 0.440 422 A N 0.126 123.010 122.820 0.107 0.000 2.067 422 A HA -0.144 4.184 4.320 0.012 0.000 0.219 422 A C 1.580 179.291 177.584 0.212 0.000 1.158 422 A CA 1.442 53.615 52.037 0.227 0.000 0.661 422 A CB -0.556 18.596 19.000 0.252 0.000 0.801 422 A HN 0.346 nan 8.150 nan 0.000 0.452 423 D N -0.327 120.207 120.400 0.224 0.000 2.371 423 D HA -0.000 4.647 4.640 0.012 0.000 0.221 423 D C 1.483 177.606 176.300 -0.294 0.000 0.986 423 D CA 0.364 54.432 54.000 0.114 0.000 0.899 423 D CB -0.160 40.854 40.800 0.356 0.000 0.902 423 D HN 0.456 nan 8.370 nan 0.000 0.530 424 L N 0.077 120.922 121.223 -0.631 0.000 2.362 424 L HA -0.040 4.308 4.340 0.012 0.000 0.219 424 L C 2.383 178.931 176.870 -0.537 0.000 1.134 424 L CA 0.393 54.606 54.840 -1.044 0.000 0.807 424 L CB -0.070 41.045 42.059 -1.573 0.000 0.927 424 L HN -0.045 nan 8.230 nan 0.000 0.447 425 R N 0.389 120.808 120.500 -0.136 0.000 2.127 425 R HA -0.143 4.205 4.340 0.012 0.000 0.238 425 R C 0.988 177.308 176.300 0.033 0.000 1.134 425 R CA 1.499 57.677 56.100 0.130 0.000 0.975 425 R CB 0.109 30.546 30.300 0.228 0.000 0.865 425 R HN 0.399 nan 8.270 nan 0.000 0.447 426 N N -0.673 118.003 118.700 -0.039 0.000 2.197 426 N HA 0.136 4.883 4.740 0.012 0.000 0.228 426 N C -1.012 174.457 175.510 -0.070 0.000 1.212 426 N CA 0.183 53.220 53.050 -0.022 0.000 0.883 426 N CB 1.579 40.074 38.487 0.013 0.000 1.107 426 N HN 0.124 nan 8.380 nan 0.000 0.519 427 A N 0.645 123.359 122.820 -0.176 0.000 2.354 427 A HA 0.664 4.991 4.320 0.012 0.000 0.269 427 A C 1.037 178.539 177.584 -0.136 0.000 1.109 427 A CA 0.447 52.363 52.037 -0.202 0.000 0.800 427 A CB 0.025 18.748 19.000 -0.461 0.000 1.045 427 A HN 0.297 nan 8.150 nan 0.000 0.489 428 G N -0.038 108.707 108.800 -0.093 0.000 2.781 428 G HA2 0.068 4.035 3.960 0.012 0.000 0.683 428 G HA3 0.068 4.035 3.960 0.012 0.000 0.683 428 G C 0.327 175.219 174.900 -0.013 0.000 1.390 428 G CA -0.054 45.009 45.100 -0.061 0.000 0.850 428 G HN 1.710 nan 8.290 nan 0.000 0.557 429 L N 0.672 121.904 121.223 0.014 0.000 2.081 429 L HA -0.024 4.324 4.340 0.012 0.000 0.212 429 L C 3.008 179.912 176.870 0.058 0.000 1.080 429 L CA 2.821 57.685 54.840 0.041 0.000 0.754 429 L CB -0.494 41.606 42.059 0.069 0.000 0.893 429 L HN 1.112 nan 8.230 nan 0.000 0.433 430 V N -0.079 119.862 119.914 0.045 0.000 3.026 430 V HA -0.187 3.941 4.120 0.012 0.000 0.265 430 V C 1.522 177.634 176.094 0.029 0.000 1.121 430 V CA 1.703 64.028 62.300 0.042 0.000 1.142 430 V CB -0.683 31.160 31.823 0.033 0.000 0.730 430 V HN 0.631 nan 8.190 nan 0.000 0.503 431 N N -0.721 117.996 118.700 0.028 0.000 2.187 431 N HA 0.142 4.890 4.740 0.012 0.000 0.212 431 N C 0.198 175.736 175.510 0.046 0.000 1.152 431 N CA 0.032 53.099 53.050 0.030 0.000 0.872 431 N CB 0.775 39.272 38.487 0.016 0.000 1.025 431 N HN 0.260 nan 8.380 nan 0.000 0.514 432 S N 2.865 118.603 115.700 0.064 0.000 2.422 432 S HA 0.269 4.747 4.470 0.012 0.000 0.283 432 S C -2.398 172.293 174.600 0.152 0.000 1.163 432 S CA -0.853 57.399 58.200 0.086 0.000 1.054 432 S CB 1.168 64.404 63.200 0.060 0.000 0.967 432 S HN 0.065 nan 8.310 nan 0.000 0.499 433 P HA 0.154 nan 4.420 nan 0.000 0.263 433 P C 1.023 178.425 177.300 0.170 0.000 1.195 433 P CA 0.888 64.057 63.100 0.114 0.000 0.762 433 P CB 0.275 32.023 31.700 0.080 0.000 0.799 434 G N 2.188 111.027 108.800 0.066 0.000 2.195 434 G HA2 -0.315 3.652 3.960 0.012 0.000 0.246 434 G HA3 -0.315 3.652 3.960 0.012 0.000 0.246 434 G C 0.372 175.078 174.900 -0.322 0.000 0.984 434 G CA -0.085 44.950 45.100 -0.108 0.000 0.633 434 G HN 0.509 nan 8.290 nan 0.000 0.525 435 Y N 0.250 120.549 120.300 -0.002 0.000 2.527 435 Y HA 0.404 4.962 4.550 0.013 0.000 0.247 435 Y C 2.061 177.962 175.900 0.001 0.000 1.138 435 Y CA 0.475 58.573 58.100 -0.004 0.000 1.228 435 Y CB 0.427 38.886 38.460 -0.001 0.000 1.252 435 Y HN 0.313 nan 8.280 nan 0.000 0.531 436 E N 0.563 120.827 120.200 0.107 0.000 2.077 436 E HA -0.149 4.208 4.350 0.012 0.000 0.193 436 E C 1.317 177.949 176.600 0.054 0.000 0.989 436 E CA 1.287 57.732 56.400 0.074 0.000 0.800 436 E CB -0.122 29.606 29.700 0.048 0.000 0.746 436 E HN 0.281 nan 8.360 nan 0.000 0.452 437 N N 0.518 119.238 118.700 0.033 0.000 2.571 437 N HA -0.047 4.700 4.740 0.012 0.000 0.189 437 N C 0.746 176.273 175.510 0.029 0.000 1.154 437 N CA 0.453 53.522 53.050 0.031 0.000 0.907 437 N CB 0.175 38.673 38.487 0.019 0.000 0.977 437 N HN 0.092 nan 8.380 nan 0.000 0.449 438 R N -0.006 120.512 120.500 0.031 0.000 2.432 438 R HA 0.289 4.636 4.340 0.012 0.000 0.260 438 R C -0.082 176.230 176.300 0.020 0.000 0.935 438 R CA -0.183 55.922 56.100 0.010 0.000 1.080 438 R CB 0.619 30.930 30.300 0.018 0.000 1.155 438 R HN -0.015 nan 8.270 nan 0.000 0.531 439 A N 1.087 123.939 122.820 0.053 0.000 2.289 439 A HA 0.388 4.715 4.320 0.012 0.000 0.298 439 A C -0.195 177.438 177.584 0.082 0.000 1.208 439 A CA -0.300 51.780 52.037 0.071 0.000 0.845 439 A CB 0.928 19.980 19.000 0.086 0.000 1.125 439 A HN 0.026 nan 8.150 nan 0.000 0.517 440 V N 4.202 124.157 119.914 0.068 0.000 2.311 440 V HA 0.313 4.441 4.120 0.012 0.000 0.275 440 V C 0.682 176.969 176.094 0.321 0.000 1.022 440 V CA -0.165 62.221 62.300 0.144 0.000 0.830 440 V CB 0.910 32.707 31.823 -0.044 0.000 1.012 440 V HN 1.027 nan 8.190 nan 0.000 0.452 441 T N 3.205 117.950 114.554 0.318 0.000 2.910 441 T HA 0.779 5.136 4.350 0.012 0.000 0.293 441 T C -0.580 174.403 174.700 0.472 0.000 1.015 441 T CA -0.365 61.939 62.100 0.339 0.000 1.094 441 T CB 1.189 70.189 68.868 0.220 0.000 0.968 441 T HN 0.641 nan 8.240 nan 0.000 0.521 442 F N -0.735 119.288 119.950 0.121 0.000 2.741 442 F HA 0.668 5.203 4.527 0.014 0.000 0.313 442 F C -0.492 175.297 175.800 -0.018 0.000 1.153 442 F CA -1.389 56.643 58.000 0.053 0.000 0.931 442 F CB 0.668 39.670 39.000 0.003 0.000 1.335 442 F HN 0.277 nan 8.300 nan 0.000 0.460 443 V N -0.811 118.936 119.914 -0.279 0.000 2.911 443 V HA 0.306 4.434 4.120 0.012 0.000 0.237 443 V C -0.477 175.432 176.094 -0.308 0.000 1.156 443 V CA 0.741 62.761 62.300 -0.467 0.000 1.180 443 V CB 0.206 31.460 31.823 -0.947 0.000 0.932 443 V HN 0.781 nan 8.190 nan 0.000 0.483 444 D N -0.387 119.982 120.400 -0.052 0.000 2.579 444 D HA 0.509 5.156 4.640 0.012 0.000 0.257 444 D C -1.283 174.835 176.300 -0.302 0.000 1.176 444 D CA -0.165 53.794 54.000 -0.068 0.000 0.914 444 D CB 2.661 43.453 40.800 -0.013 0.000 1.431 444 D HN 0.425 nan 8.370 nan 0.000 0.454 445 N N -1.970 116.366 118.700 -0.606 0.000 3.243 445 N HA 0.073 4.820 4.740 0.012 0.000 0.280 445 N C 0.759 175.861 175.510 -0.680 0.000 1.545 445 N CA -0.470 52.038 53.050 -0.903 0.000 0.854 445 N CB 0.195 38.400 38.487 -0.470 0.000 1.612 445 N HN 0.350 nan 8.380 nan 0.000 0.577 446 H N -1.625 117.207 119.070 -0.396 0.000 2.518 446 H HA 0.044 4.608 4.556 0.013 0.000 0.289 446 H C -0.406 175.000 175.328 0.129 0.000 1.051 446 H CA 1.350 57.450 56.048 0.086 0.000 1.280 446 H CB -0.108 29.797 29.762 0.239 0.000 1.380 446 H HN 0.542 nan 8.280 nan 0.000 0.566 447 D N 0.757 120.932 120.400 -0.375 0.000 2.338 447 D HA -0.063 4.584 4.640 0.012 0.000 0.224 447 D C 2.209 178.517 176.300 0.014 0.000 0.967 447 D CA 2.031 55.943 54.000 -0.147 0.000 0.896 447 D CB -0.017 40.792 40.800 0.016 0.000 1.028 447 D HN 0.587 nan 8.370 nan 0.000 0.493 448 T N -1.739 112.807 114.554 -0.014 0.000 3.023 448 T HA -0.077 4.281 4.350 0.012 0.000 0.266 448 T C 0.653 175.401 174.700 0.079 0.000 1.093 448 T CA 0.467 62.615 62.100 0.081 0.000 1.129 448 T CB 0.264 69.155 68.868 0.038 0.000 0.899 448 T HN -0.231 nan 8.240 nan 0.000 0.491 449 D N 1.751 122.197 120.400 0.077 0.000 2.434 449 D HA 0.324 4.971 4.640 0.012 0.000 0.275 449 D C -0.405 176.083 176.300 0.313 0.000 1.172 449 D CA -0.684 53.463 54.000 0.245 0.000 0.916 449 D CB 0.511 41.563 40.800 0.420 0.000 1.041 449 D HN 0.681 nan 8.370 nan 0.000 0.501 450 R N 0.933 121.555 120.500 0.204 0.000 2.698 450 R HA 0.461 4.808 4.340 0.012 0.000 0.275 450 R C -0.249 176.146 176.300 0.158 0.000 1.001 450 R CA -0.653 55.560 56.100 0.188 0.000 0.896 450 R CB 0.997 31.309 30.300 0.021 0.000 1.218 450 R HN -0.281 nan 8.270 nan 0.000 0.462 451 D N 1.049 121.580 120.400 0.218 0.000 2.144 451 D HA -0.139 4.508 4.640 0.012 0.000 0.200 451 D C -0.140 176.226 176.300 0.109 0.000 0.978 451 D CA 1.716 55.846 54.000 0.217 0.000 0.833 451 D CB 0.283 41.263 40.800 0.300 0.000 0.961 451 D HN 0.699 nan 8.370 nan 0.000 0.470 452 E N -1.788 118.445 120.200 0.056 0.000 2.314 452 E HA 0.483 4.840 4.350 0.012 0.000 0.272 452 E C 0.133 176.665 176.600 -0.113 0.000 0.884 452 E CA -0.917 55.480 56.400 -0.005 0.000 0.753 452 E CB 2.145 31.866 29.700 0.035 0.000 1.213 452 E HN -0.021 nan 8.360 nan 0.000 0.432 453 G N 1.674 110.386 108.800 -0.147 0.000 2.182 453 G HA2 -0.290 3.677 3.960 0.012 0.000 0.248 453 G HA3 -0.290 3.677 3.960 0.012 0.000 0.248 453 G C 0.048 174.642 174.900 -0.509 0.000 1.042 453 G CA 0.398 45.341 45.100 -0.262 0.000 0.775 453 G HN 0.590 nan 8.290 nan 0.000 0.501 454 S N -1.242 114.216 115.700 -0.405 0.000 2.586 454 S HA 0.609 5.086 4.470 0.012 0.000 0.274 454 S C 1.395 175.745 174.600 -0.418 0.000 1.281 454 S CA -0.229 57.656 58.200 -0.526 0.000 1.035 454 S CB 0.528 63.611 63.200 -0.195 0.000 0.962 454 S HN 0.359 nan 8.310 nan 0.000 0.512 455 Y N 1.888 122.202 120.300 0.023 0.000 2.523 455 Y HA 0.220 4.778 4.550 0.012 0.000 0.279 455 Y C 1.604 177.530 175.900 0.043 0.000 1.139 455 Y CA -0.021 58.053 58.100 -0.045 0.000 1.296 455 Y CB -0.148 38.175 38.460 -0.229 0.000 1.045 455 Y HN 0.553 nan 8.280 nan 0.000 0.538 456 T N -1.267 113.436 114.554 0.249 0.000 2.645 456 T HA 0.625 4.982 4.350 0.012 0.000 0.273 456 T C -1.103 173.691 174.700 0.156 0.000 0.960 456 T CA -0.644 61.604 62.100 0.248 0.000 1.051 456 T CB 1.097 70.221 68.868 0.426 0.000 1.366 456 T HN -0.255 nan 8.240 nan 0.000 0.536 457 V N 2.278 122.289 119.914 0.162 0.000 2.555 457 V HA 0.637 4.765 4.120 0.012 0.000 0.302 457 V C 0.374 176.565 176.094 0.161 0.000 1.038 457 V CA -0.419 61.983 62.300 0.171 0.000 0.887 457 V CB 1.915 33.858 31.823 0.199 0.000 0.991 457 V HN 1.127 nan 8.190 nan 0.000 0.434 458 S N 6.388 122.201 115.700 0.189 0.000 2.600 458 S HA 0.326 4.804 4.470 0.012 0.000 0.265 458 S C 0.090 174.719 174.600 0.049 0.000 1.325 458 S CA -0.558 57.728 58.200 0.144 0.000 1.002 458 S CB 0.569 63.881 63.200 0.187 0.000 0.921 458 S HN 0.478 nan 8.310 nan 0.000 0.554 459 I N 3.112 123.657 120.570 -0.041 0.000 2.366 459 I HA 0.071 4.248 4.170 0.012 0.000 0.302 459 I C 0.604 176.615 176.117 -0.177 0.000 1.194 459 I CA -0.299 60.887 61.300 -0.190 0.000 1.667 459 I CB -1.951 35.934 38.000 -0.191 0.000 1.501 459 I HN 0.806 nan 8.210 nan 0.000 0.776 460 Y N 1.973 122.229 120.300 -0.073 0.000 2.529 460 Y HA 0.343 4.897 4.550 0.007 0.000 0.290 460 Y C 0.881 176.726 175.900 -0.093 0.000 1.177 460 Y CA -0.486 57.548 58.100 -0.110 0.000 1.305 460 Y CB 0.074 38.471 38.460 -0.106 0.000 1.047 460 Y HN 0.374 nan 8.280 nan 0.000 0.522 461 S N 0.751 116.332 115.700 -0.198 0.000 2.533 461 S HA 0.497 4.974 4.470 0.012 0.000 0.271 461 S C -0.256 174.265 174.600 -0.131 0.000 1.143 461 S CA -0.902 57.248 58.200 -0.084 0.000 0.891 461 S CB 1.040 64.217 63.200 -0.038 0.000 1.105 461 S HN 0.480 nan 8.310 nan 0.000 0.468 462 R N 1.343 121.815 120.500 -0.048 0.000 3.770 462 R HA -0.179 4.169 4.340 0.012 0.000 0.305 462 R C 1.130 177.319 176.300 -0.184 0.000 1.184 462 R CA 1.136 57.203 56.100 -0.056 0.000 0.823 462 R CB -1.897 28.379 30.300 -0.040 0.000 1.285 462 R HN 0.790 nan 8.270 nan 0.000 0.499 463 K N 0.473 120.734 120.400 -0.231 0.000 2.057 463 K HA -0.166 4.161 4.320 0.012 0.000 0.207 463 K C 1.451 177.832 176.600 -0.366 0.000 1.049 463 K CA 1.907 57.992 56.287 -0.336 0.000 0.931 463 K CB -0.144 32.185 32.500 -0.286 0.000 0.714 463 K HN 0.356 nan 8.250 nan 0.000 0.440 464 Y N 0.992 121.074 120.300 -0.363 0.000 2.165 464 Y HA -0.270 4.286 4.550 0.010 0.000 0.286 464 Y C 2.567 178.047 175.900 -0.699 0.000 1.155 464 Y CA 1.544 59.196 58.100 -0.747 0.000 1.164 464 Y CB -0.223 37.143 38.460 -1.823 0.000 0.978 464 Y HN 0.184 nan 8.280 nan 0.000 0.513 465 Q N 0.012 119.629 119.800 -0.306 0.000 2.077 465 Q HA -0.236 4.111 4.340 0.012 0.000 0.206 465 Q C 2.537 178.432 176.000 -0.175 0.000 0.989 465 Q CA 2.029 57.779 55.803 -0.089 0.000 0.853 465 Q CB -0.570 28.190 28.738 0.037 0.000 0.907 465 Q HN 0.527 nan 8.270 nan 0.000 0.418 466 A N -0.712 121.846 122.820 -0.438 0.000 1.898 466 A HA -0.175 4.153 4.320 0.012 0.000 0.216 466 A C 1.781 179.019 177.584 -0.578 0.000 1.181 466 A CA 1.227 52.693 52.037 -0.952 0.000 0.620 466 A CB -0.835 17.192 19.000 -1.622 0.000 0.819 466 A HN 0.478 nan 8.150 nan 0.000 0.442 467 Y N -0.258 119.825 120.300 -0.363 0.000 2.293 467 Y HA -0.091 4.466 4.550 0.012 0.000 0.291 467 Y C 2.851 178.708 175.900 -0.072 0.000 1.137 467 Y CA 0.781 58.776 58.100 -0.174 0.000 1.202 467 Y CB -0.116 38.248 38.460 -0.161 0.000 0.990 467 Y HN 0.368 nan 8.280 nan 0.000 0.537 468 A N -0.639 122.224 122.820 0.071 0.000 1.898 468 A HA -0.242 4.085 4.320 0.012 0.000 0.216 468 A C 1.939 179.612 177.584 0.148 0.000 1.181 468 A CA 1.487 53.595 52.037 0.117 0.000 0.620 468 A CB -1.248 17.842 19.000 0.149 0.000 0.819 468 A HN 0.595 nan 8.150 nan 0.000 0.442 469 Y N 1.455 121.768 120.300 0.023 0.000 2.097 469 Y HA -0.255 4.304 4.550 0.014 0.000 0.282 469 Y C 2.154 178.056 175.900 0.002 0.000 1.152 469 Y CA 2.260 60.368 58.100 0.014 0.000 1.136 469 Y CB -0.294 38.166 38.460 -0.000 0.000 0.975 469 Y HN 0.432 nan 8.280 nan 0.000 0.498 470 I N -1.889 118.757 120.570 0.127 0.000 2.439 470 I HA -0.155 4.022 4.170 0.012 0.000 0.251 470 I C 1.653 177.782 176.117 0.019 0.000 1.139 470 I CA 1.495 62.829 61.300 0.057 0.000 1.438 470 I CB -0.540 37.573 38.000 0.187 0.000 1.085 470 I HN 0.219 nan 8.210 nan 0.000 0.427 471 L N 1.418 122.679 121.223 0.063 0.000 2.446 471 L HA 0.019 4.366 4.340 0.012 0.000 0.219 471 L C 2.405 179.277 176.870 0.004 0.000 1.116 471 L CA 1.172 56.044 54.840 0.054 0.000 0.844 471 L CB -0.471 41.640 42.059 0.086 0.000 0.970 471 L HN 0.441 nan 8.230 nan 0.000 0.457 472 T N -3.444 111.110 114.554 -0.001 0.000 3.107 472 T HA 0.041 4.398 4.350 0.012 0.000 0.249 472 T C 0.975 175.697 174.700 0.037 0.000 1.096 472 T CA -0.287 61.832 62.100 0.032 0.000 1.012 472 T CB 0.061 68.999 68.868 0.116 0.000 0.977 472 T HN 0.057 nan 8.240 nan 0.000 0.527 473 R N 0.433 120.871 120.500 -0.102 0.000 2.441 473 R HA 0.624 4.971 4.340 0.012 0.000 0.284 473 R C 1.511 177.794 176.300 -0.027 0.000 1.070 473 R CA 0.234 56.242 56.100 -0.153 0.000 1.047 473 R CB 0.478 30.553 30.300 -0.374 0.000 1.016 473 R HN 0.190 nan 8.270 nan 0.000 0.477 474 A N 3.136 125.997 122.820 0.068 0.000 2.067 474 A HA -0.049 4.278 4.320 0.012 0.000 0.219 474 A C -0.025 177.552 177.584 -0.011 0.000 1.158 474 A CA 1.146 53.188 52.037 0.009 0.000 0.661 474 A CB -0.114 18.896 19.000 0.017 0.000 0.801 474 A HN 0.722 nan 8.150 nan 0.000 0.452 475 E N -2.448 117.742 120.200 -0.016 0.000 2.281 475 E HA 0.564 4.921 4.350 0.012 0.000 0.262 475 E C 0.394 176.998 176.600 0.007 0.000 0.933 475 E CA 0.160 56.559 56.400 -0.001 0.000 0.809 475 E CB 1.154 30.856 29.700 0.004 0.000 1.242 475 E HN 0.771 nan 8.360 nan 0.000 0.418 476 G N -0.786 108.039 108.800 0.042 0.000 2.828 476 G HA2 -0.111 3.856 3.960 0.012 0.000 0.463 476 G HA3 -0.111 3.856 3.960 0.012 0.000 0.463 476 G C -1.043 173.926 174.900 0.115 0.000 1.394 476 G CA -0.476 44.672 45.100 0.079 0.000 0.862 476 G HN 0.513 nan 8.290 nan 0.000 0.540 477 V N 2.971 122.988 119.914 0.172 0.000 2.443 477 V HA 0.607 4.735 4.120 0.012 0.000 0.293 477 V C -1.862 174.381 176.094 0.247 0.000 1.021 477 V CA -0.882 61.553 62.300 0.224 0.000 0.848 477 V CB 2.199 34.213 31.823 0.319 0.000 0.998 477 V HN 0.787 nan 8.190 nan 0.000 0.424 478 P HA 0.416 nan 4.420 nan 0.000 0.281 478 P C -0.640 176.867 177.300 0.346 0.000 1.249 478 P CA -0.298 62.967 63.100 0.275 0.000 0.810 478 P CB 1.179 33.010 31.700 0.219 0.000 1.008 479 T N 1.275 116.081 114.554 0.419 0.000 2.809 479 T HA 0.331 4.688 4.350 0.012 0.000 0.284 479 T C -0.049 174.945 174.700 0.491 0.000 0.992 479 T CA -0.450 61.929 62.100 0.465 0.000 0.957 479 T CB 0.867 70.070 68.868 0.557 0.000 0.942 479 T HN 0.055 nan 8.240 nan 0.000 0.439 480 V N 3.801 123.983 119.914 0.447 0.000 2.546 480 V HA 0.252 4.379 4.120 0.012 0.000 0.284 480 V C -0.444 175.848 176.094 0.331 0.000 1.050 480 V CA -0.825 61.726 62.300 0.418 0.000 0.981 480 V CB 0.629 32.613 31.823 0.268 0.000 0.990 480 V HN 0.755 nan 8.190 nan 0.000 0.474 481 Y N 4.342 124.789 120.300 0.245 0.000 2.365 481 Y HA 0.125 4.682 4.550 0.011 0.000 0.340 481 Y C 0.778 176.735 175.900 0.096 0.000 1.016 481 Y CA -1.360 56.818 58.100 0.129 0.000 1.196 481 Y CB 0.582 39.153 38.460 0.185 0.000 1.167 481 Y HN 0.855 nan 8.280 nan 0.000 0.509 482 W N 5.963 127.126 121.300 -0.228 0.000 2.290 482 W HA -0.312 4.355 4.660 0.012 0.000 0.311 482 W C 1.337 177.573 176.519 -0.471 0.000 1.238 482 W CA 2.595 59.790 57.345 -0.249 0.000 1.255 482 W CB 0.081 29.447 29.460 -0.158 0.000 1.145 482 W HN 0.708 nan 8.180 nan 0.000 0.506 483 K N 0.002 119.890 120.400 -0.853 0.000 2.155 483 K HA -0.161 4.166 4.320 0.012 0.000 0.203 483 K C 1.574 177.693 176.600 -0.802 0.000 1.052 483 K CA 1.689 57.300 56.287 -1.128 0.000 0.948 483 K CB -0.244 31.347 32.500 -1.514 0.000 0.728 483 K HN -0.077 nan 8.250 nan 0.000 0.448 484 D N -0.374 119.804 120.400 -0.370 0.000 2.097 484 D HA -0.174 4.473 4.640 0.012 0.000 0.197 484 D C 1.641 177.899 176.300 -0.071 0.000 0.984 484 D CA 1.104 55.133 54.000 0.049 0.000 0.826 484 D CB -0.270 40.670 40.800 0.233 0.000 0.973 484 D HN 0.248 nan 8.370 nan 0.000 0.460 485 Y N -0.740 119.358 120.300 -0.337 0.000 2.220 485 Y HA -0.185 4.372 4.550 0.012 0.000 0.291 485 Y C 1.548 177.108 175.900 -0.567 0.000 1.129 485 Y CA 1.493 59.306 58.100 -0.479 0.000 1.161 485 Y CB 0.061 38.128 38.460 -0.655 0.000 0.997 485 Y HN -0.005 nan 8.280 nan 0.000 0.522 486 Y N -2.444 117.610 120.300 -0.409 0.000 2.430 486 Y HA 0.092 4.650 4.550 0.013 0.000 0.248 486 Y C 1.422 177.064 175.900 -0.431 0.000 1.108 486 Y CA -0.447 57.353 58.100 -0.499 0.000 1.264 486 Y CB 0.690 38.639 38.460 -0.850 0.000 1.172 486 Y HN 0.040 nan 8.280 nan 0.000 0.520 487 I N -2.232 118.120 120.570 -0.363 0.000 3.443 487 I HA -0.033 4.144 4.170 0.012 0.000 0.277 487 I C 1.210 177.227 176.117 -0.166 0.000 1.169 487 I CA 0.660 61.703 61.300 -0.429 0.000 1.419 487 I CB -1.028 36.436 38.000 -0.893 0.000 1.331 487 I HN 0.271 nan 8.210 nan 0.000 0.458 488 W N 1.736 122.988 121.300 -0.079 0.000 2.937 488 W HA 0.059 4.730 4.660 0.018 0.000 0.245 488 W C 0.280 176.782 176.519 -0.030 0.000 1.306 488 W CA -0.186 57.141 57.345 -0.029 0.000 1.470 488 W CB -0.141 29.300 29.460 -0.031 0.000 1.132 488 W HN 0.203 nan 8.180 nan 0.000 0.675 489 E N -0.487 119.777 120.200 0.106 0.000 2.340 489 E HA -0.265 4.093 4.350 0.012 0.000 0.240 489 E C 0.600 177.212 176.600 0.021 0.000 1.154 489 E CA 0.226 56.638 56.400 0.021 0.000 0.717 489 E CB -1.532 28.211 29.700 0.072 0.000 1.250 489 E HN 0.415 nan 8.360 nan 0.000 0.386 490 M N -0.490 119.096 119.600 -0.023 0.000 2.561 490 M HA 0.029 4.516 4.480 0.012 0.000 0.238 490 M C 1.975 178.222 176.300 -0.089 0.000 1.131 490 M CA 0.322 55.644 55.300 0.037 0.000 1.046 490 M CB 0.048 32.614 32.600 -0.056 0.000 1.532 490 M HN 0.143 nan 8.290 nan 0.000 0.497 491 K N 1.675 121.834 120.400 -0.402 0.000 2.052 491 K HA -0.248 4.080 4.320 0.012 0.000 0.215 491 K C 1.454 177.894 176.600 -0.266 0.000 1.053 491 K CA 2.041 57.903 56.287 -0.708 0.000 0.934 491 K CB 0.021 32.033 32.500 -0.814 0.000 0.717 491 K HN 0.430 nan 8.250 nan 0.000 0.450 492 E N -0.971 119.157 120.200 -0.122 0.000 2.049 492 E HA -0.189 4.169 4.350 0.012 0.000 0.198 492 E C 2.082 178.695 176.600 0.021 0.000 1.007 492 E CA 1.356 57.738 56.400 -0.031 0.000 0.809 492 E CB -0.291 29.407 29.700 -0.004 0.000 0.749 492 E HN 0.594 nan 8.360 nan 0.000 0.450 493 G N 0.938 109.782 108.800 0.073 0.000 2.403 493 G HA2 -0.174 3.793 3.960 0.012 0.000 0.216 493 G HA3 -0.174 3.793 3.960 0.012 0.000 0.216 493 G C 1.606 176.615 174.900 0.182 0.000 1.154 493 G CA 0.215 45.370 45.100 0.090 0.000 0.784 493 G HN 0.048 nan 8.290 nan 0.000 0.538 494 L N 0.498 121.835 121.223 0.190 0.000 2.046 494 L HA -0.057 4.291 4.340 0.012 0.000 0.208 494 L C 2.390 179.314 176.870 0.089 0.000 1.077 494 L CA 1.036 55.932 54.840 0.094 0.000 0.747 494 L CB -0.325 41.756 42.059 0.036 0.000 0.896 494 L HN 0.073 nan 8.230 nan 0.000 0.432 495 D N 0.265 120.718 120.400 0.088 0.000 2.221 495 D HA -0.167 4.480 4.640 0.012 0.000 0.204 495 D C 2.111 178.458 176.300 0.079 0.000 0.982 495 D CA 1.101 55.152 54.000 0.084 0.000 0.857 495 D CB 0.005 40.847 40.800 0.070 0.000 0.934 495 D HN 0.363 nan 8.370 nan 0.000 0.475 496 K N -0.068 120.385 120.400 0.088 0.000 2.167 496 K HA 0.049 4.377 4.320 0.012 0.000 0.203 496 K C 2.229 178.891 176.600 0.103 0.000 1.052 496 K CA 0.386 56.730 56.287 0.095 0.000 0.956 496 K CB 0.083 32.625 32.500 0.071 0.000 0.735 496 K HN 0.163 nan 8.250 nan 0.000 0.451 497 L N 0.904 122.191 121.223 0.107 0.000 2.109 497 L HA -0.118 4.229 4.340 0.012 0.000 0.207 497 L C 2.268 179.168 176.870 0.049 0.000 1.086 497 L CA 0.900 55.798 54.840 0.096 0.000 0.760 497 L CB -0.460 41.654 42.059 0.092 0.000 0.910 497 L HN 0.117 nan 8.230 nan 0.000 0.437 498 L N -0.748 120.479 121.223 0.006 0.000 2.093 498 L HA -0.163 4.185 4.340 0.012 0.000 0.208 498 L C 2.641 179.491 176.870 -0.033 0.000 1.085 498 L CA 1.256 56.048 54.840 -0.080 0.000 0.755 498 L CB -0.883 41.056 42.059 -0.200 0.000 0.904 498 L HN 0.240 nan 8.230 nan 0.000 0.435 499 T N 0.063 114.655 114.554 0.063 0.000 2.684 499 T HA -0.232 4.125 4.350 0.012 0.000 0.267 499 T C 2.060 176.928 174.700 0.279 0.000 1.036 499 T CA 1.447 63.655 62.100 0.180 0.000 1.148 499 T CB -0.315 68.702 68.868 0.249 0.000 0.863 499 T HN 0.461 nan 8.240 nan 0.000 0.436 500 A N 1.704 124.664 122.820 0.234 0.000 1.873 500 A HA -0.194 4.134 4.320 0.012 0.000 0.218 500 A C 2.293 180.006 177.584 0.214 0.000 1.193 500 A CA 2.212 54.416 52.037 0.279 0.000 0.629 500 A CB -0.698 18.379 19.000 0.129 0.000 0.826 500 A HN 0.462 nan 8.150 nan 0.000 0.447 501 R N -0.880 119.658 120.500 0.062 0.000 2.081 501 R HA -0.187 4.161 4.340 0.012 0.000 0.235 501 R C 2.372 178.608 176.300 -0.108 0.000 1.131 501 R CA 1.909 57.973 56.100 -0.060 0.000 0.960 501 R CB -0.217 30.038 30.300 -0.074 0.000 0.856 501 R HN 0.404 nan 8.270 nan 0.000 0.436 502 R N -0.706 119.726 120.500 -0.114 0.000 2.115 502 R HA -0.108 4.240 4.340 0.012 0.000 0.230 502 R C 0.880 177.017 176.300 -0.271 0.000 1.111 502 R CA 1.807 57.731 56.100 -0.293 0.000 0.976 502 R CB -0.210 29.739 30.300 -0.584 0.000 0.870 502 R HN 0.434 nan 8.270 nan 0.000 0.445 503 Y N -3.051 117.275 120.300 0.043 0.000 2.430 503 Y HA 0.237 4.794 4.550 0.012 0.000 0.254 503 Y C 0.609 176.404 175.900 -0.175 0.000 1.088 503 Y CA -0.156 57.839 58.100 -0.176 0.000 1.267 503 Y CB 0.591 38.675 38.460 -0.626 0.000 1.204 503 Y HN -0.039 nan 8.280 nan 0.000 0.515 504 Y N -1.250 119.292 120.300 0.404 0.000 2.585 504 Y HA 0.453 5.011 4.550 0.013 0.000 0.272 504 Y C 1.434 177.427 175.900 0.155 0.000 1.119 504 Y CA -0.152 58.123 58.100 0.292 0.000 1.255 504 Y CB 0.296 38.873 38.460 0.195 0.000 1.284 504 Y HN -0.134 nan 8.280 nan 0.000 0.499 505 A N 0.837 123.658 122.820 0.003 0.000 3.026 505 A HA 0.389 4.717 4.320 0.012 0.000 0.272 505 A C -1.336 175.877 177.584 -0.618 0.000 1.782 505 A CA 0.383 52.274 52.037 -0.244 0.000 1.451 505 A CB -1.706 17.152 19.000 -0.236 0.000 1.081 505 A HN 0.409 nan 8.150 nan 0.000 0.611 506 Y N -0.198 119.994 120.300 -0.180 0.000 2.534 506 Y HA 0.577 5.134 4.550 0.013 0.000 0.345 506 Y C 0.724 176.252 175.900 -0.621 0.000 1.031 506 Y CA 0.154 57.967 58.100 -0.480 0.000 1.022 506 Y CB 2.278 40.395 38.460 -0.571 0.000 1.292 506 Y HN 1.094 nan 8.280 nan 0.000 0.459 507 G N 2.062 110.444 108.800 -0.696 0.000 2.685 507 G HA2 -0.110 3.858 3.960 0.012 0.000 0.387 507 G HA3 -0.110 3.858 3.960 0.012 0.000 0.387 507 G C -3.175 171.619 174.900 -0.177 0.000 1.324 507 G CA -1.515 43.340 45.100 -0.409 0.000 0.878 507 G HN 0.427 nan 8.290 nan 0.000 0.527 508 P HA 0.447 nan 4.420 nan 0.000 0.268 508 P C 0.592 177.684 177.300 -0.347 0.000 1.208 508 P CA 0.853 63.821 63.100 -0.221 0.000 0.777 508 P CB 0.586 32.133 31.700 -0.254 0.000 0.875 509 G N 0.713 109.246 108.800 -0.446 0.000 2.388 509 G HA2 0.601 4.568 3.960 0.012 0.000 0.330 509 G HA3 0.601 4.568 3.960 0.012 0.000 0.330 509 G C -1.773 172.720 174.900 -0.678 0.000 1.142 509 G CA -0.309 44.494 45.100 -0.495 0.000 0.908 509 G HN 0.322 nan 8.290 nan 0.000 0.473 510 Y N 0.292 120.345 120.300 -0.412 0.000 2.425 510 Y HA 0.385 4.942 4.550 0.012 0.000 0.344 510 Y C 0.261 176.069 175.900 -0.152 0.000 0.969 510 Y CA -1.119 56.854 58.100 -0.212 0.000 1.052 510 Y CB 2.017 40.353 38.460 -0.207 0.000 1.215 510 Y HN 0.349 nan 8.280 nan 0.000 0.451 511 E N 2.365 122.660 120.200 0.158 0.000 2.313 511 E HA 0.431 4.788 4.350 0.012 0.000 0.272 511 E C -0.290 176.352 176.600 0.070 0.000 1.038 511 E CA -0.524 55.966 56.400 0.150 0.000 0.863 511 E CB 2.044 31.855 29.700 0.184 0.000 1.060 511 E HN 0.493 nan 8.360 nan 0.000 0.402 512 V N -1.389 118.531 119.914 0.011 0.000 3.093 512 V HA 0.352 4.479 4.120 0.012 0.000 0.320 512 V C 0.344 176.463 176.094 0.043 0.000 1.093 512 V CA -0.605 61.692 62.300 -0.005 0.000 1.016 512 V CB 1.582 33.366 31.823 -0.065 0.000 1.096 512 V HN 0.525 nan 8.190 nan 0.000 0.452 513 D N 1.053 121.489 120.400 0.060 0.000 2.349 513 D HA 0.047 4.694 4.640 0.012 0.000 0.214 513 D C 0.187 176.539 176.300 0.086 0.000 1.063 513 D CA 0.790 54.839 54.000 0.082 0.000 0.847 513 D CB 0.180 41.034 40.800 0.090 0.000 0.933 513 D HN 0.864 nan 8.370 nan 0.000 0.513 514 N N 0.141 118.888 118.700 0.077 0.000 2.338 514 N HA 0.032 4.779 4.740 0.012 0.000 0.251 514 N C -0.263 175.287 175.510 0.068 0.000 1.199 514 N CA -0.401 52.697 53.050 0.081 0.000 0.879 514 N CB -0.599 37.947 38.487 0.099 0.000 1.159 514 N HN -0.052 nan 8.380 nan 0.000 0.514 515 N N 0.642 119.384 118.700 0.070 0.000 2.371 515 N HA 0.205 4.952 4.740 0.012 0.000 0.243 515 N C -0.588 174.955 175.510 0.056 0.000 1.287 515 N CA 0.296 53.390 53.050 0.075 0.000 0.911 515 N CB 0.481 39.051 38.487 0.138 0.000 1.142 515 N HN 0.448 nan 8.380 nan 0.000 0.451 516 D N -1.448 118.942 120.400 -0.017 0.000 3.057 516 D HA 0.335 4.983 4.640 0.012 0.000 0.328 516 D C 0.058 176.082 176.300 -0.461 0.000 1.317 516 D CA -0.705 53.214 54.000 -0.136 0.000 0.973 516 D CB -0.104 40.669 40.800 -0.045 0.000 1.424 516 D HN 0.317 nan 8.370 nan 0.000 0.569 517 A N -0.738 121.712 122.820 -0.617 0.000 1.972 517 A HA -0.080 4.247 4.320 0.012 0.000 0.219 517 A C 1.033 178.434 177.584 -0.306 0.000 1.169 517 A CA 2.001 53.564 52.037 -0.790 0.000 0.635 517 A CB -0.604 18.212 19.000 -0.306 0.000 0.810 517 A HN 0.509 nan 8.150 nan 0.000 0.446 518 D N -1.800 118.512 120.400 -0.146 0.000 2.479 518 D HA 0.288 4.936 4.640 0.012 0.000 0.221 518 D C 0.024 176.343 176.300 0.032 0.000 1.104 518 D CA 0.182 54.164 54.000 -0.029 0.000 0.849 518 D CB 0.586 41.385 40.800 -0.000 0.000 1.072 518 D HN 0.390 nan 8.370 nan 0.000 0.502 519 I N 0.662 121.253 120.570 0.035 0.000 2.465 519 I HA 0.275 4.452 4.170 0.012 0.000 0.291 519 I C -1.339 174.869 176.117 0.151 0.000 1.014 519 I CA -1.151 60.208 61.300 0.099 0.000 1.093 519 I CB 2.271 40.320 38.000 0.082 0.000 1.267 519 I HN -0.217 nan 8.210 nan 0.000 0.431 520 Y N 5.484 125.829 120.300 0.074 0.000 2.350 520 Y HA 0.634 5.190 4.550 0.011 0.000 0.338 520 Y C -0.750 175.228 175.900 0.131 0.000 0.961 520 Y CA -0.363 57.790 58.100 0.089 0.000 1.100 520 Y CB 1.711 40.215 38.460 0.072 0.000 1.179 520 Y HN 0.558 nan 8.280 nan 0.000 0.454 521 S N 5.083 120.472 115.700 -0.517 0.000 2.599 521 S HA 0.641 5.119 4.470 0.012 0.000 0.294 521 S C -2.120 172.151 174.600 -0.547 0.000 1.094 521 S CA -0.715 57.266 58.200 -0.365 0.000 0.931 521 S CB 2.045 65.144 63.200 -0.169 0.000 1.093 521 S HN 0.616 nan 8.310 nan 0.000 0.488 522 Y N 0.200 120.268 120.300 -0.387 0.000 2.558 522 Y HA 0.568 5.126 4.550 0.012 0.000 0.333 522 Y C -2.042 173.761 175.900 -0.163 0.000 1.125 522 Y CA -0.730 57.218 58.100 -0.253 0.000 1.039 522 Y CB 0.914 39.311 38.460 -0.106 0.000 1.331 522 Y HN 0.478 nan 8.280 nan 0.000 0.456 523 V N 6.531 126.046 119.914 -0.665 0.000 2.588 523 V HA 0.651 4.778 4.120 0.012 0.000 0.304 523 V C -0.887 174.881 176.094 -0.544 0.000 1.042 523 V CA -0.939 61.068 62.300 -0.488 0.000 0.877 523 V CB 1.763 33.392 31.823 -0.322 0.000 0.996 523 V HN 0.606 nan 8.190 nan 0.000 0.425 524 R N 2.454 122.752 120.500 -0.336 0.000 2.310 524 R HA 0.356 4.703 4.340 0.012 0.000 0.324 524 R C 1.019 177.281 176.300 -0.063 0.000 0.955 524 R CA -0.204 55.779 56.100 -0.196 0.000 0.830 524 R CB 1.636 31.856 30.300 -0.134 0.000 1.154 524 R HN 0.854 nan 8.270 nan 0.000 0.458 525 S N 0.669 116.378 115.700 0.014 0.000 2.562 525 S HA 0.102 4.580 4.470 0.012 0.000 0.221 525 S C 0.935 175.560 174.600 0.043 0.000 0.975 525 S CA 0.300 58.526 58.200 0.044 0.000 0.918 525 S CB -0.071 63.205 63.200 0.127 0.000 0.772 525 S HN 0.961 nan 8.310 nan 0.000 0.531 526 G N 0.526 109.322 108.800 -0.007 0.000 2.781 526 G HA2 -0.129 3.838 3.960 0.012 0.000 0.683 526 G HA3 -0.129 3.838 3.960 0.012 0.000 0.683 526 G C -0.629 174.239 174.900 -0.054 0.000 1.390 526 G CA -0.761 44.329 45.100 -0.017 0.000 0.850 526 G HN 0.373 nan 8.290 nan 0.000 0.557 527 F N 1.235 121.247 119.950 0.103 0.000 2.399 527 F HA 0.401 4.936 4.527 0.013 0.000 0.342 527 F C -0.468 175.358 175.800 0.043 0.000 1.106 527 F CA -1.376 56.660 58.000 0.061 0.000 1.196 527 F CB 1.759 40.773 39.000 0.024 0.000 1.163 527 F HN 0.280 nan 8.300 nan 0.000 0.547 528 P HA -0.171 nan 4.420 nan 0.000 0.215 528 P C 0.599 177.964 177.300 0.107 0.000 1.157 528 P CA 1.316 64.499 63.100 0.139 0.000 0.863 528 P CB -0.031 31.734 31.700 0.109 0.000 0.787 529 D N -1.054 119.402 120.400 0.093 0.000 2.324 529 D HA 0.014 4.661 4.640 0.012 0.000 0.235 529 D C -0.036 176.288 176.300 0.039 0.000 1.095 529 D CA 0.091 54.113 54.000 0.035 0.000 0.871 529 D CB -0.654 40.134 40.800 -0.020 0.000 0.906 529 D HN 0.009 nan 8.370 nan 0.000 0.522 530 V N 0.394 120.371 119.914 0.105 0.000 2.540 530 V HA 0.669 4.797 4.120 0.012 0.000 0.302 530 V C 0.120 176.266 176.094 0.086 0.000 1.035 530 V CA -1.449 60.907 62.300 0.093 0.000 0.873 530 V CB 1.551 33.467 31.823 0.153 0.000 0.992 530 V HN 0.273 nan 8.190 nan 0.000 0.428 531 A N 3.093 125.946 122.820 0.054 0.000 2.366 531 A HA 0.641 4.968 4.320 0.012 0.000 0.272 531 A C 1.289 178.907 177.584 0.057 0.000 1.135 531 A CA 0.479 52.544 52.037 0.047 0.000 0.804 531 A CB 0.145 19.162 19.000 0.028 0.000 1.064 531 A HN 2.223 nan 8.150 nan 0.000 0.499 532 G N 2.224 111.063 108.800 0.064 0.000 2.162 532 G HA2 -0.238 3.730 3.960 0.012 0.000 0.260 532 G HA3 -0.238 3.730 3.960 0.012 0.000 0.260 532 G C 0.014 175.026 174.900 0.187 0.000 0.976 532 G CA 0.618 45.774 45.100 0.092 0.000 0.655 532 G HN 1.237 nan 8.290 nan 0.000 0.533 533 D N 0.048 120.548 120.400 0.166 0.000 2.478 533 D HA 0.653 5.300 4.640 0.012 0.000 0.274 533 D C 0.879 177.345 176.300 0.278 0.000 1.234 533 D CA 0.590 54.737 54.000 0.245 0.000 1.069 533 D CB 0.617 41.510 40.800 0.155 0.000 1.113 533 D HN 1.657 nan 8.370 nan 0.000 0.571 534 G N -1.635 107.339 108.800 0.290 0.000 2.699 534 G HA2 0.458 4.426 3.960 0.012 0.000 0.686 534 G HA3 0.458 4.426 3.960 0.012 0.000 0.686 534 G C -1.195 173.870 174.900 0.275 0.000 1.301 534 G CA -0.297 44.934 45.100 0.217 0.000 0.816 534 G HN 1.441 nan 8.290 nan 0.000 0.595 535 L N -3.095 118.223 121.223 0.159 0.000 2.731 535 L HA 0.820 5.167 4.340 0.012 0.000 0.256 535 L C -0.719 176.092 176.870 -0.098 0.000 0.947 535 L CA -1.227 53.675 54.840 0.103 0.000 0.914 535 L CB 1.429 43.539 42.059 0.085 0.000 1.470 535 L HN 1.100 nan 8.230 nan 0.000 0.421 536 V N 2.731 122.517 119.914 -0.212 0.000 2.357 536 V HA 0.607 4.734 4.120 0.012 0.000 0.284 536 V C -0.251 175.792 176.094 -0.085 0.000 1.018 536 V CA -0.388 61.683 62.300 -0.381 0.000 0.841 536 V CB 1.329 32.544 31.823 -1.014 0.000 0.991 536 V HN 0.822 nan 8.190 nan 0.000 0.437 537 L N 6.558 127.780 121.223 -0.001 0.000 2.334 537 L HA 0.718 5.066 4.340 0.012 0.000 0.277 537 L C -0.348 176.600 176.870 0.130 0.000 1.075 537 L CA 0.309 55.232 54.840 0.137 0.000 0.804 537 L CB 1.198 43.400 42.059 0.238 0.000 1.174 537 L HN 0.653 nan 8.230 nan 0.000 0.438 538 M N 7.253 126.981 119.600 0.212 0.000 2.267 538 M HA 0.502 4.989 4.480 0.012 0.000 0.289 538 M C -1.053 175.410 176.300 0.272 0.000 1.043 538 M CA -0.430 54.996 55.300 0.211 0.000 0.928 538 M CB 1.993 34.733 32.600 0.233 0.000 1.613 538 M HN 0.605 nan 8.290 nan 0.000 0.450 539 I N -1.107 119.636 120.570 0.288 0.000 2.892 539 I HA 0.942 5.119 4.170 0.012 0.000 0.306 539 I C -0.737 175.524 176.117 0.241 0.000 1.078 539 I CA -0.676 60.806 61.300 0.303 0.000 1.032 539 I CB 2.396 40.589 38.000 0.322 0.000 1.229 539 I HN 0.628 nan 8.210 nan 0.000 0.435 540 S N 1.154 116.981 115.700 0.211 0.000 2.533 540 S HA 0.351 4.829 4.470 0.012 0.000 0.271 540 S C -0.728 173.953 174.600 0.134 0.000 1.143 540 S CA -0.511 57.782 58.200 0.155 0.000 0.891 540 S CB 1.663 64.938 63.200 0.125 0.000 1.105 540 S HN 0.890 nan 8.310 nan 0.000 0.468 541 D N 2.006 122.467 120.400 0.101 0.000 2.368 541 D HA 0.219 4.867 4.640 0.012 0.000 0.218 541 D C 0.902 177.236 176.300 0.057 0.000 1.112 541 D CA -0.178 53.868 54.000 0.076 0.000 0.834 541 D CB -0.310 40.526 40.800 0.059 0.000 0.953 541 D HN 0.546 nan 8.370 nan 0.000 0.505 542 G N -0.137 108.698 108.800 0.058 0.000 2.594 542 G HA2 0.339 4.307 3.960 0.012 0.000 0.243 542 G HA3 0.339 4.307 3.960 0.012 0.000 0.243 542 G C 0.752 175.678 174.900 0.043 0.000 1.229 542 G CA 0.294 45.421 45.100 0.044 0.000 0.843 542 G HN 0.229 nan 8.290 nan 0.000 0.578 543 T N -3.219 111.356 114.554 0.034 0.000 3.087 543 T HA 0.110 4.468 4.350 0.012 0.000 0.283 543 T C 2.011 176.725 174.700 0.024 0.000 0.956 543 T CA 0.695 62.813 62.100 0.031 0.000 0.894 543 T CB 0.060 68.947 68.868 0.030 0.000 1.160 543 T HN 0.669 nan 8.240 nan 0.000 0.532 544 S N 1.559 117.272 115.700 0.022 0.000 2.447 544 S HA 0.303 4.780 4.470 0.012 0.000 0.233 544 S C 2.054 176.663 174.600 0.015 0.000 1.006 544 S CA 0.784 58.995 58.200 0.018 0.000 0.957 544 S CB -0.926 62.285 63.200 0.018 0.000 0.773 544 S HN 1.603 nan 8.310 nan 0.000 0.507 545 G N 1.571 110.379 108.800 0.013 0.000 2.130 545 G HA2 -0.170 3.798 3.960 0.012 0.000 0.216 545 G HA3 -0.170 3.798 3.960 0.012 0.000 0.216 545 G C -0.319 174.583 174.900 0.003 0.000 0.999 545 G CA -0.019 45.085 45.100 0.006 0.000 0.686 545 G HN 0.981 nan 8.290 nan 0.000 0.515 546 N N -1.768 116.936 118.700 0.007 0.000 2.934 546 N HA 0.587 5.334 4.740 0.012 0.000 0.253 546 N C -0.865 174.656 175.510 0.020 0.000 1.466 546 N CA -0.643 52.413 53.050 0.010 0.000 0.858 546 N CB 1.150 39.644 38.487 0.011 0.000 1.459 546 N HN 0.332 nan 8.380 nan 0.000 0.532 547 V N -0.092 119.837 119.914 0.025 0.000 2.385 547 V HA 0.721 4.848 4.120 0.012 0.000 0.269 547 V C 0.251 176.375 176.094 0.050 0.000 1.043 547 V CA -0.502 61.824 62.300 0.044 0.000 0.906 547 V CB 0.052 31.904 31.823 0.048 0.000 0.995 547 V HN 0.936 nan 8.190 nan 0.000 0.467 548 A N 4.106 126.966 122.820 0.067 0.000 2.340 548 A HA 0.927 5.254 4.320 0.012 0.000 0.331 548 A C 0.217 177.853 177.584 0.086 0.000 1.140 548 A CA -0.207 51.869 52.037 0.066 0.000 0.801 548 A CB 1.639 20.677 19.000 0.064 0.000 1.234 548 A HN 0.970 nan 8.150 nan 0.000 0.469 549 G N 1.015 109.859 108.800 0.074 0.000 2.448 549 G HA2 0.632 4.600 3.960 0.012 0.000 0.324 549 G HA3 0.632 4.600 3.960 0.012 0.000 0.324 549 G C -1.062 173.901 174.900 0.104 0.000 1.203 549 G CA -0.566 44.584 45.100 0.082 0.000 0.954 549 G HN 0.522 nan 8.290 nan 0.000 0.480 550 K N 0.519 121.001 120.400 0.137 0.000 2.498 550 K HA 0.199 4.526 4.320 0.012 0.000 0.254 550 K C -1.536 175.228 176.600 0.273 0.000 0.933 550 K CA -0.619 55.772 56.287 0.173 0.000 0.806 550 K CB 2.741 35.315 32.500 0.123 0.000 1.301 550 K HN 0.703 nan 8.250 nan 0.000 0.432 551 W N 5.841 127.170 121.300 0.048 0.000 2.342 551 W HA 0.393 5.060 4.660 0.011 0.000 0.310 551 W C -0.950 175.663 176.519 0.156 0.000 1.128 551 W CA -0.410 56.987 57.345 0.086 0.000 1.322 551 W CB 0.350 29.835 29.460 0.043 0.000 1.251 551 W HN 0.414 nan 8.180 nan 0.000 0.439 552 I N 5.446 125.987 120.570 -0.049 0.000 2.608 552 I HA 0.082 4.260 4.170 0.012 0.000 0.295 552 I C -0.017 175.878 176.117 -0.369 0.000 1.049 552 I CA -0.956 60.259 61.300 -0.141 0.000 1.063 552 I CB 2.060 39.932 38.000 -0.215 0.000 1.248 552 I HN 0.302 nan 8.210 nan 0.000 0.424 553 N N 3.037 121.387 118.700 -0.585 0.000 2.482 553 N HA 0.040 4.788 4.740 0.012 0.000 0.242 553 N C 1.001 176.140 175.510 -0.619 0.000 1.100 553 N CA -0.015 52.467 53.050 -0.947 0.000 0.946 553 N CB 0.814 38.558 38.487 -1.239 0.000 1.227 553 N HN 0.644 nan 8.380 nan 0.000 0.508 554 S N 3.311 118.720 115.700 -0.486 0.000 2.474 554 S HA -0.079 4.398 4.470 0.012 0.000 0.235 554 S C 0.839 175.265 174.600 -0.289 0.000 0.997 554 S CA 0.245 58.204 58.200 -0.402 0.000 0.949 554 S CB -0.063 62.957 63.200 -0.299 0.000 0.766 554 S HN 0.651 nan 8.310 nan 0.000 0.517 555 R N 0.133 120.437 120.500 -0.328 0.000 3.936 555 R HA -0.115 4.233 4.340 0.012 0.000 0.366 555 R C -0.856 175.390 176.300 -0.089 0.000 1.158 555 R CA 1.346 57.294 56.100 -0.254 0.000 0.969 555 R CB -2.567 27.550 30.300 -0.304 0.000 1.504 555 R HN 0.766 nan 8.270 nan 0.000 0.538 556 Q N -0.408 119.384 119.800 -0.014 0.000 2.616 556 Q HA 0.327 4.674 4.340 0.012 0.000 0.250 556 Q C -2.610 173.434 176.000 0.073 0.000 0.991 556 Q CA -2.003 53.842 55.803 0.070 0.000 0.707 556 Q CB 2.466 31.311 28.738 0.178 0.000 1.247 556 Q HN -0.081 nan 8.270 nan 0.000 0.491 557 P HA -0.074 nan 4.420 nan 0.000 0.265 557 P C -0.633 176.693 177.300 0.043 0.000 1.193 557 P CA 0.438 63.556 63.100 0.030 0.000 0.765 557 P CB 0.423 32.134 31.700 0.018 0.000 0.823 558 D N -0.005 120.424 120.400 0.048 0.000 2.699 558 D HA -0.126 4.522 4.640 0.012 0.000 0.239 558 D C -0.655 175.667 176.300 0.038 0.000 1.136 558 D CA 1.318 55.343 54.000 0.041 0.000 0.668 558 D CB -1.842 38.975 40.800 0.029 0.000 1.060 558 D HN 0.278 nan 8.370 nan 0.000 0.429 559 T N 0.430 115.024 114.554 0.068 0.000 2.848 559 T HA 0.359 4.716 4.350 0.012 0.000 0.285 559 T C -0.016 174.715 174.700 0.051 0.000 0.995 559 T CA -0.707 61.401 62.100 0.013 0.000 0.970 559 T CB 2.617 71.470 68.868 -0.026 0.000 0.976 559 T HN 0.089 nan 8.240 nan 0.000 0.441 560 E N 2.519 122.693 120.200 -0.044 0.000 2.200 560 E HA 0.467 4.825 4.350 0.012 0.000 0.283 560 E C -1.231 175.310 176.600 -0.097 0.000 1.015 560 E CA -0.381 56.024 56.400 0.008 0.000 0.819 560 E CB 0.566 30.263 29.700 -0.006 0.000 1.081 560 E HN 0.409 nan 8.360 nan 0.000 0.397 561 F N 3.419 123.418 119.950 0.080 0.000 2.579 561 F HA 0.454 4.988 4.527 0.013 0.000 0.324 561 F C -0.509 175.480 175.800 0.315 0.000 1.058 561 F CA -0.626 57.512 58.000 0.230 0.000 0.944 561 F CB 1.387 40.629 39.000 0.402 0.000 1.245 561 F HN 0.424 nan 8.300 nan 0.000 0.477 562 Y N -0.935 119.582 120.300 0.363 0.000 2.588 562 Y HA 0.550 5.107 4.550 0.013 0.000 0.343 562 Y C -1.613 174.214 175.900 -0.121 0.000 1.065 562 Y CA -1.537 56.672 58.100 0.181 0.000 1.038 562 Y CB 1.326 39.681 38.460 -0.176 0.000 1.297 562 Y HN 0.482 nan 8.280 nan 0.000 0.467 563 D N 3.274 123.211 120.400 -0.772 0.000 2.365 563 D HA 0.115 4.762 4.640 0.012 0.000 0.237 563 D C 0.513 176.355 176.300 -0.764 0.000 1.190 563 D CA -0.505 52.808 54.000 -1.146 0.000 0.867 563 D CB 1.285 41.295 40.800 -1.317 0.000 1.050 563 D HN 0.713 nan 8.370 nan 0.000 0.491 564 L N 2.494 123.233 121.223 -0.806 0.000 2.622 564 L HA 0.112 4.460 4.340 0.012 0.000 0.233 564 L C 1.548 178.236 176.870 -0.303 0.000 1.156 564 L CA 1.301 55.814 54.840 -0.545 0.000 0.866 564 L CB -1.514 40.250 42.059 -0.493 0.000 0.980 564 L HN 0.382 nan 8.230 nan 0.000 0.448 565 T N -4.512 109.795 114.554 -0.412 0.000 3.067 565 T HA 0.381 4.738 4.350 0.012 0.000 0.257 565 T C 1.614 175.939 174.700 -0.626 0.000 1.105 565 T CA 0.465 62.259 62.100 -0.509 0.000 1.104 565 T CB -0.254 68.147 68.868 -0.779 0.000 0.925 565 T HN 0.763 nan 8.240 nan 0.000 0.498 566 G N 0.547 109.087 108.800 -0.433 0.000 2.176 566 G HA2 -0.296 3.672 3.960 0.012 0.000 0.253 566 G HA3 -0.296 3.672 3.960 0.012 0.000 0.253 566 G C 0.510 175.272 174.900 -0.230 0.000 0.979 566 G CA 0.551 45.492 45.100 -0.265 0.000 0.641 566 G HN 0.669 nan 8.290 nan 0.000 0.530 567 H N -0.521 118.387 119.070 -0.269 0.000 2.306 567 H HA 0.272 4.838 4.556 0.016 0.000 0.307 567 H C 1.213 176.446 175.328 -0.159 0.000 1.061 567 H CA 0.707 56.602 56.048 -0.256 0.000 1.359 567 H CB 0.296 29.831 29.762 -0.379 0.000 1.407 567 H HN 0.298 nan 8.280 nan 0.000 0.517 568 I N 2.292 122.843 120.570 -0.032 0.000 2.337 568 I HA 0.023 4.200 4.170 0.012 0.000 0.291 568 I C 0.005 176.136 176.117 0.025 0.000 1.046 568 I CA 0.165 61.488 61.300 0.038 0.000 1.324 568 I CB 1.127 39.237 38.000 0.184 0.000 1.409 568 I HN 0.192 nan 8.210 nan 0.000 0.494 569 K N 6.265 126.688 120.400 0.039 0.000 3.129 569 K HA 0.193 4.520 4.320 0.012 0.000 0.241 569 K C -0.256 176.361 176.600 0.028 0.000 1.239 569 K CA -0.109 56.183 56.287 0.008 0.000 1.239 569 K CB 0.218 32.693 32.500 -0.041 0.000 1.347 569 K HN 0.625 nan 8.250 nan 0.000 0.435 570 E N -1.136 119.153 120.200 0.148 0.000 2.446 570 E HA 0.345 4.703 4.350 0.012 0.000 0.276 570 E C -0.849 176.018 176.600 0.445 0.000 0.969 570 E CA -0.999 55.496 56.400 0.159 0.000 0.800 570 E CB 1.188 30.966 29.700 0.131 0.000 1.341 570 E HN 0.172 nan 8.360 nan 0.000 0.460 571 H N -0.664 118.536 119.070 0.216 0.000 2.559 571 H HA 0.623 5.186 4.556 0.012 0.000 0.343 571 H C -0.880 174.514 175.328 0.110 0.000 1.209 571 H CA -1.348 54.871 56.048 0.284 0.000 1.287 571 H CB 2.035 31.903 29.762 0.177 0.000 1.650 571 H HN 0.066 nan 8.280 nan 0.000 0.567 572 V N 1.805 121.811 119.914 0.153 0.000 2.525 572 V HA 0.160 4.287 4.120 0.012 0.000 0.299 572 V C -0.485 175.565 176.094 -0.072 0.000 1.034 572 V CA -0.643 61.516 62.300 -0.236 0.000 0.863 572 V CB 1.803 33.035 31.823 -0.985 0.000 0.999 572 V HN 0.807 nan 8.190 nan 0.000 0.423 573 T N 3.172 117.688 114.554 -0.062 0.000 2.758 573 T HA 0.438 4.795 4.350 0.012 0.000 0.285 573 T C 0.311 174.989 174.700 -0.037 0.000 0.981 573 T CA -0.414 61.695 62.100 0.015 0.000 0.965 573 T CB 1.185 70.075 68.868 0.037 0.000 0.927 573 T HN 0.868 nan 8.240 nan 0.000 0.448 574 T N 1.054 115.620 114.554 0.021 0.000 2.899 574 T HA 0.371 4.729 4.350 0.012 0.000 0.295 574 T C 0.343 175.052 174.700 0.016 0.000 1.033 574 T CA -1.049 61.036 62.100 -0.024 0.000 1.084 574 T CB 0.555 69.457 68.868 0.057 0.000 0.979 574 T HN 0.614 nan 8.240 nan 0.000 0.532 575 D N 1.114 121.527 120.400 0.021 0.000 2.398 575 D HA 0.112 4.759 4.640 0.012 0.000 0.264 575 D C 1.401 177.739 176.300 0.062 0.000 1.263 575 D CA -0.342 53.699 54.000 0.068 0.000 1.037 575 D CB -0.141 40.733 40.800 0.123 0.000 1.101 575 D HN 0.539 nan 8.370 nan 0.000 0.551 576 S N -1.792 113.949 115.700 0.069 0.000 2.561 576 S HA -0.066 4.412 4.470 0.012 0.000 0.225 576 S C 1.070 175.706 174.600 0.060 0.000 0.977 576 S CA 0.233 58.466 58.200 0.054 0.000 0.926 576 S CB -0.531 62.697 63.200 0.047 0.000 0.769 576 S HN 0.566 nan 8.310 nan 0.000 0.533 577 E N 0.957 121.218 120.200 0.101 0.000 2.474 577 E HA 0.297 4.654 4.350 0.012 0.000 0.194 577 E C 1.261 177.866 176.600 0.010 0.000 1.041 577 E CA 0.199 56.675 56.400 0.126 0.000 0.874 577 E CB -0.094 29.794 29.700 0.313 0.000 0.914 577 E HN 0.636 nan 8.360 nan 0.000 0.498 578 G N 0.790 109.581 108.800 -0.014 0.000 2.141 578 G HA2 -0.292 3.676 3.960 0.012 0.000 0.242 578 G HA3 -0.292 3.676 3.960 0.012 0.000 0.242 578 G C -0.291 174.457 174.900 -0.254 0.000 0.982 578 G CA -0.132 44.894 45.100 -0.123 0.000 0.662 578 G HN 0.216 nan 8.290 nan 0.000 0.527 579 Y N 0.445 120.571 120.300 -0.290 0.000 2.301 579 Y HA 0.550 5.107 4.550 0.012 0.000 0.325 579 Y C 1.069 176.467 175.900 -0.836 0.000 1.203 579 Y CA 0.591 58.310 58.100 -0.634 0.000 1.255 579 Y CB 1.887 39.815 38.460 -0.888 0.000 1.232 579 Y HN 0.442 nan 8.280 nan 0.000 0.501 580 G N 1.260 109.554 108.800 -0.843 0.000 2.698 580 G HA2 0.147 4.115 3.960 0.012 0.000 0.293 580 G HA3 0.147 4.115 3.960 0.012 0.000 0.293 580 G C -1.765 172.707 174.900 -0.714 0.000 1.437 580 G CA -1.113 43.448 45.100 -0.899 0.000 0.852 580 G HN 0.625 nan 8.290 nan 0.000 0.499 581 N N 0.822 119.341 118.700 -0.301 0.000 2.482 581 N HA 0.286 5.033 4.740 0.012 0.000 0.242 581 N C -0.713 174.513 175.510 -0.474 0.000 1.100 581 N CA -0.248 52.793 53.050 -0.015 0.000 0.946 581 N CB 0.195 38.809 38.487 0.212 0.000 1.227 581 N HN 0.182 nan 8.380 nan 0.000 0.508 582 F N 2.160 121.889 119.950 -0.368 0.000 2.375 582 F HA 0.395 4.929 4.527 0.011 0.000 0.333 582 F C 0.771 176.403 175.800 -0.279 0.000 1.104 582 F CA -0.269 57.312 58.000 -0.698 0.000 1.149 582 F CB 1.124 39.641 39.000 -0.805 0.000 1.190 582 F HN 0.097 nan 8.300 nan 0.000 0.533 583 K N 1.038 121.494 120.400 0.094 0.000 2.395 583 K HA 0.809 5.137 4.320 0.012 0.000 0.247 583 K C -1.631 175.252 176.600 0.471 0.000 0.973 583 K CA -1.102 55.364 56.287 0.297 0.000 0.828 583 K CB 3.009 35.663 32.500 0.257 0.000 1.272 583 K HN 0.418 nan 8.250 nan 0.000 0.439 584 V N 2.592 122.669 119.914 0.272 0.000 3.087 584 V HA 0.478 4.606 4.120 0.012 0.000 0.306 584 V C -1.546 174.607 176.094 0.098 0.000 1.187 584 V CA -0.875 61.540 62.300 0.192 0.000 0.999 584 V CB 1.993 33.927 31.823 0.186 0.000 1.049 584 V HN 0.638 nan 8.190 nan 0.000 0.431 585 I N 4.837 125.419 120.570 0.019 0.000 2.325 585 I HA 0.372 4.550 4.170 0.012 0.000 0.291 585 I C 0.460 176.568 176.117 -0.014 0.000 1.019 585 I CA -0.267 61.019 61.300 -0.023 0.000 1.302 585 I CB 1.120 39.052 38.000 -0.113 0.000 1.401 585 I HN 0.481 nan 8.210 nan 0.000 0.485 586 K N 5.910 126.319 120.400 0.014 0.000 2.121 586 K HA 0.159 4.486 4.320 0.012 0.000 0.235 586 K C -0.170 176.441 176.600 0.018 0.000 1.200 586 K CA -0.131 56.174 56.287 0.030 0.000 1.115 586 K CB 0.021 32.542 32.500 0.035 0.000 1.474 586 K HN 0.730 nan 8.250 nan 0.000 0.295 587 S N -0.895 114.812 115.700 0.011 0.000 2.588 587 S HA 0.200 4.677 4.470 0.012 0.000 0.275 587 S C 0.826 175.462 174.600 0.060 0.000 1.130 587 S CA -0.949 57.262 58.200 0.018 0.000 0.855 587 S CB 2.009 65.199 63.200 -0.016 0.000 1.116 587 S HN 0.383 nan 8.310 nan 0.000 0.472 588 E N 0.886 121.132 120.200 0.076 0.000 2.051 588 E HA -0.218 4.140 4.350 0.012 0.000 0.192 588 E C 1.093 177.810 176.600 0.195 0.000 0.991 588 E CA 1.951 58.423 56.400 0.120 0.000 0.799 588 E CB -0.327 29.431 29.700 0.096 0.000 0.748 588 E HN 0.842 nan 8.360 nan 0.000 0.449 589 D N -0.086 120.402 120.400 0.146 0.000 2.178 589 D HA -0.086 4.561 4.640 0.012 0.000 0.201 589 D C 0.977 177.354 176.300 0.128 0.000 0.980 589 D CA 1.218 55.319 54.000 0.169 0.000 0.842 589 D CB 0.185 41.026 40.800 0.069 0.000 0.948 589 D HN 0.023 nan 8.370 nan 0.000 0.472 590 K N -1.521 118.801 120.400 -0.130 0.000 2.589 590 K HA 0.282 4.609 4.320 0.012 0.000 0.198 590 K C 0.628 176.819 176.600 -0.683 0.000 1.114 590 K CA 0.012 55.809 56.287 -0.817 0.000 1.070 590 K CB 1.610 33.595 32.500 -0.858 0.000 0.860 590 K HN -0.062 nan 8.250 nan 0.000 0.536 591 G N 1.929 110.713 108.800 -0.026 0.000 3.471 591 G HA2 0.091 4.058 3.960 0.012 0.000 0.254 591 G HA3 0.091 4.058 3.960 0.012 0.000 0.254 591 G C -0.628 174.475 174.900 0.338 0.000 1.199 591 G CA -0.323 44.841 45.100 0.107 0.000 1.683 591 G HN 0.315 nan 8.290 nan 0.000 0.625 592 W N -0.387 120.957 121.300 0.073 0.000 3.129 592 W HA 0.783 5.448 4.660 0.008 0.000 0.333 592 W C -0.904 175.731 176.519 0.194 0.000 1.141 592 W CA -1.328 56.107 57.345 0.150 0.000 1.224 592 W CB 1.007 30.569 29.460 0.170 0.000 1.393 592 W HN -0.056 nan 8.180 nan 0.000 0.499 593 S N 3.313 119.125 115.700 0.186 0.000 2.549 593 S HA 0.707 5.184 4.470 0.012 0.000 0.280 593 S C -1.135 173.454 174.600 -0.018 0.000 1.109 593 S CA -0.844 57.337 58.200 -0.032 0.000 0.905 593 S CB 1.252 64.430 63.200 -0.036 0.000 1.081 593 S HN 0.483 nan 8.310 nan 0.000 0.477 594 I N 2.210 122.641 120.570 -0.232 0.000 2.476 594 I HA 0.314 4.492 4.170 0.012 0.000 0.281 594 I C -1.539 174.383 176.117 -0.326 0.000 1.040 594 I CA -0.340 60.877 61.300 -0.137 0.000 1.094 594 I CB 1.239 39.212 38.000 -0.044 0.000 1.219 594 I HN 0.576 nan 8.210 nan 0.000 0.450 595 W N 7.238 128.487 121.300 -0.085 0.000 2.332 595 W HA 0.538 5.204 4.660 0.010 0.000 0.306 595 W C 0.052 176.626 176.519 0.092 0.000 1.149 595 W CA -0.618 56.723 57.345 -0.006 0.000 1.271 595 W CB 1.346 30.856 29.460 0.083 0.000 1.243 595 W HN 0.205 nan 8.180 nan 0.000 0.459 596 V N 2.192 122.208 119.914 0.170 0.000 2.960 596 V HA 0.729 4.857 4.120 0.012 0.000 0.315 596 V C -2.655 173.481 176.094 0.069 0.000 1.087 596 V CA -3.679 58.638 62.300 0.028 0.000 0.982 596 V CB 1.727 33.073 31.823 -0.796 0.000 1.039 596 V HN 0.213 nan 8.190 nan 0.000 0.437 597 P HA 0.200 nan 4.420 nan 0.000 0.269 597 P C 0.971 178.287 177.300 0.028 0.000 1.209 597 P CA 0.212 63.093 63.100 -0.364 0.000 0.776 597 P CB 0.906 32.411 31.700 -0.324 0.000 0.876 598 V N -0.170 119.725 119.914 -0.032 0.000 2.591 598 V HA 0.007 4.135 4.120 0.012 0.000 0.249 598 V C 0.739 176.795 176.094 -0.063 0.000 1.053 598 V CA 1.293 63.553 62.300 -0.067 0.000 1.068 598 V CB -0.952 30.732 31.823 -0.232 0.000 0.689 598 V HN 0.361 nan 8.190 nan 0.000 0.462 599 E N 0.000 120.167 120.200 -0.054 0.000 2.725 599 E HA 0.000 4.357 4.350 0.012 0.000 0.291 599 E CA 0.000 56.378 56.400 -0.037 0.000 0.976 599 E CB 0.000 29.674 29.700 -0.043 0.000 0.812 599 E HN 0.000 nan 8.360 nan 0.000 0.440