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 1knr_1_A DATA FIRST_RESID 5 DATA SEQUENCE PEHSCDVLII GSGAAGLSLA LRLADQHQVI VLSKGPVTEG STFYAQGGIA DATA SEQUENCE AVFDETDSID SHVEDTLIAG AGICDRHAVE FVASNARSCV QWLIDQGVLF DATA SEQUENCE DTHIQPNGEE SYHLTREGGH SHRRILHAAD ATGREVETTL VSKALNHPNI DATA SEQUENCE RVLERTNAVD LIVSDKIGLP GTRRVVGAWV WNRNKETVET CHAKAVVLAT DATA SEQUENCE GGASKVYQYT TNPDISSGDG IAMAWRAGCR VANLEFNQFH PTALYHPQAR DATA SEQUENCE NFLLTEALRG EGAYLKRPDG TRFMPDFDER GELAPRDIVA RAIDHEMKRL DATA SEQUENCE GADCMFLDIS HKPADFIRQH FPMIYEKLLG LGIDLTQEPV PIVPAAHYTC DATA SEQUENCE GGVMVDDHGR TDVEGLYAIG EVSYTGLHGA NLMASNSLLE CLVYGWSAAE DATA SEQUENCE DITRRMPYAH DISTLPPWDE SRVENPDERV VIQHNWHELR LFMWDYVGIV DATA SEQUENCE RTTKRLERAL RRITMLQQEI DEYYAHFRVS NNLLELRNLV QVAELIVRCA DATA SEQUENCE MMRKESRGLH FTLDYPELLT HSGPSILSP 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.294 177.300 -0.010 0.000 1.155 5 P CA 0.000 63.093 63.100 -0.012 0.000 0.800 5 P CB 0.000 31.707 31.700 0.011 0.000 0.726 6 E N 0.127 120.384 120.200 0.095 0.000 2.012 6 E HA -0.128 4.222 4.350 -0.000 0.000 0.211 6 E C 0.091 176.553 176.600 -0.231 0.000 1.029 6 E CA 1.554 57.959 56.400 0.009 0.000 0.867 6 E CB -0.276 29.524 29.700 0.166 0.000 0.790 6 E HN 0.403 nan 8.360 nan 0.000 0.482 7 H N -1.429 117.761 119.070 0.201 0.000 2.856 7 H HA 0.378 4.934 4.556 -0.000 0.000 0.355 7 H C -0.999 174.499 175.328 0.284 0.000 1.079 7 H CA -0.248 55.898 56.048 0.165 0.000 1.240 7 H CB 1.899 31.709 29.762 0.079 0.000 1.701 7 H HN -0.036 nan 8.280 nan 0.000 0.527 8 S N 1.505 117.363 115.700 0.262 0.000 2.548 8 S HA 0.730 5.200 4.470 -0.000 0.000 0.286 8 S C -0.391 174.292 174.600 0.137 0.000 1.098 8 S CA -0.373 57.943 58.200 0.193 0.000 0.930 8 S CB 1.005 64.241 63.200 0.060 0.000 1.070 8 S HN 0.845 nan 8.310 nan 0.000 0.480 9 C N 1.140 120.509 119.300 0.116 0.000 3.293 9 C HA 0.642 5.102 4.460 -0.000 0.000 0.362 9 C C 0.595 175.633 174.990 0.079 0.000 1.539 9 C CA -0.631 58.441 59.018 0.089 0.000 1.201 9 C CB 0.258 28.048 27.740 0.083 0.000 1.770 9 C HN 0.704 nan 8.230 nan 0.000 0.440 10 D N 0.110 120.556 120.400 0.078 0.000 2.320 10 D HA 0.178 4.818 4.640 -0.000 0.000 0.228 10 D C 0.194 176.529 176.300 0.057 0.000 0.978 10 D CA 1.522 55.572 54.000 0.083 0.000 0.905 10 D CB 0.353 41.230 40.800 0.128 0.000 1.051 10 D HN 0.439 nan 8.370 nan 0.000 0.471 11 V N 1.872 121.806 119.914 0.033 0.000 2.487 11 V HA 0.279 4.399 4.120 -0.000 0.000 0.298 11 V C -0.671 175.425 176.094 0.004 0.000 1.028 11 V CA -0.853 61.443 62.300 -0.006 0.000 0.860 11 V CB 2.385 34.158 31.823 -0.082 0.000 0.991 11 V HN -0.007 nan 8.190 nan 0.000 0.427 12 L N 6.959 128.188 121.223 0.009 0.000 2.272 12 L HA 0.637 4.977 4.340 -0.000 0.000 0.289 12 L C -0.574 176.299 176.870 0.004 0.000 1.032 12 L CA 0.232 55.077 54.840 0.008 0.000 0.810 12 L CB 1.008 43.072 42.059 0.009 0.000 1.205 12 L HN 0.541 nan 8.230 nan 0.000 0.422 13 I N 6.690 127.260 120.570 0.001 0.000 2.354 13 I HA 0.324 4.494 4.170 -0.000 0.000 0.286 13 I C -0.338 175.787 176.117 0.013 0.000 1.007 13 I CA -0.383 60.921 61.300 0.006 0.000 1.167 13 I CB 1.361 39.361 38.000 -0.000 0.000 1.320 13 I HN 0.499 nan 8.210 nan 0.000 0.458 14 I N 6.599 127.183 120.570 0.024 0.000 2.278 14 I HA 0.452 4.622 4.170 -0.000 0.000 0.296 14 I C 0.617 176.755 176.117 0.035 0.000 1.121 14 I CA 0.025 61.340 61.300 0.026 0.000 1.267 14 I CB 0.221 38.240 38.000 0.031 0.000 1.447 14 I HN 0.832 nan 8.210 nan 0.000 0.509 15 G N 3.782 112.601 108.800 0.032 0.000 2.931 15 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.675 15 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.675 15 G C -0.373 174.554 174.900 0.046 0.000 1.339 15 G CA -0.484 44.642 45.100 0.043 0.000 0.866 15 G HN 0.607 nan 8.290 nan 0.000 0.616 16 S N 0.957 116.687 115.700 0.050 0.000 2.272 16 S HA 0.712 5.182 4.470 -0.000 0.000 0.207 16 S C 0.887 175.532 174.600 0.074 0.000 1.336 16 S CA 0.495 58.728 58.200 0.055 0.000 1.259 16 S CB 0.855 64.080 63.200 0.041 0.000 1.130 16 S HN 1.842 nan 8.310 nan 0.000 0.444 17 G N 0.965 109.818 108.800 0.089 0.000 2.857 17 G HA2 0.658 4.618 3.960 -0.000 0.000 0.217 17 G HA3 0.658 4.618 3.960 -0.000 0.000 0.217 17 G C 1.078 176.048 174.900 0.117 0.000 1.357 17 G CA -0.370 44.796 45.100 0.111 0.000 1.033 17 G HN 0.602 nan 8.290 nan 0.000 0.571 18 A N -0.611 122.288 122.820 0.132 0.000 1.927 18 A HA 0.024 4.344 4.320 -0.000 0.000 0.220 18 A C 2.702 180.362 177.584 0.126 0.000 1.185 18 A CA 3.117 55.239 52.037 0.141 0.000 0.639 18 A CB -1.048 18.044 19.000 0.153 0.000 0.820 18 A HN 1.342 nan 8.150 nan 0.000 0.451 19 A N -1.087 121.804 122.820 0.118 0.000 1.898 19 A HA 0.185 4.505 4.320 -0.000 0.000 0.216 19 A C 2.372 180.003 177.584 0.077 0.000 1.181 19 A CA 1.986 54.086 52.037 0.105 0.000 0.620 19 A CB -1.158 17.908 19.000 0.110 0.000 0.819 19 A HN 0.727 nan 8.150 nan 0.000 0.442 20 G N -0.855 107.990 108.800 0.074 0.000 2.437 20 G HA2 0.125 4.085 3.960 -0.000 0.000 0.212 20 G HA3 0.125 4.085 3.960 -0.000 0.000 0.212 20 G C 1.323 176.256 174.900 0.056 0.000 1.174 20 G CA 0.673 45.805 45.100 0.053 0.000 0.811 20 G HN 0.275 nan 8.290 nan 0.000 0.537 21 L N 2.081 123.351 121.223 0.078 0.000 2.017 21 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 21 L C 3.218 180.167 176.870 0.131 0.000 1.073 21 L CA 2.118 57.015 54.840 0.095 0.000 0.745 21 L CB -1.048 41.076 42.059 0.109 0.000 0.894 21 L HN 0.423 nan 8.230 nan 0.000 0.432 22 S N -0.771 115.015 115.700 0.143 0.000 2.402 22 S HA -0.163 4.307 4.470 -0.000 0.000 0.229 22 S C 2.023 176.638 174.600 0.024 0.000 1.021 22 S CA 0.955 59.254 58.200 0.166 0.000 0.974 22 S CB -0.631 62.632 63.200 0.104 0.000 0.800 22 S HN 0.277 nan 8.310 nan 0.000 0.484 23 L N 2.069 123.293 121.223 0.001 0.000 2.131 23 L HA 0.223 4.563 4.340 -0.000 0.000 0.210 23 L C 2.538 179.395 176.870 -0.021 0.000 1.092 23 L CA 1.501 56.316 54.840 -0.041 0.000 0.759 23 L CB -1.565 40.468 42.059 -0.044 0.000 0.903 23 L HN 0.377 nan 8.230 nan 0.000 0.435 24 A N -0.106 122.724 122.820 0.016 0.000 1.858 24 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 24 A C 2.240 179.823 177.584 -0.003 0.000 1.190 24 A CA 1.980 54.016 52.037 -0.001 0.000 0.617 24 A CB -0.901 18.107 19.000 0.013 0.000 0.827 24 A HN 0.486 nan 8.150 nan 0.000 0.443 25 L N -0.941 120.331 121.223 0.083 0.000 1.971 25 L HA -0.267 4.073 4.340 -0.000 0.000 0.215 25 L C 2.846 179.824 176.870 0.180 0.000 1.072 25 L CA 1.969 56.889 54.840 0.133 0.000 0.758 25 L CB -0.734 41.529 42.059 0.339 0.000 0.889 25 L HN 0.367 nan 8.230 nan 0.000 0.433 26 R N 0.039 120.684 120.500 0.241 0.000 2.133 26 R HA -0.180 4.160 4.340 -0.000 0.000 0.247 26 R C 2.098 178.466 176.300 0.114 0.000 1.151 26 R CA 1.307 57.521 56.100 0.190 0.000 0.971 26 R CB -0.409 29.913 30.300 0.038 0.000 0.866 26 R HN 0.405 nan 8.270 nan 0.000 0.447 27 L N -0.556 120.690 121.223 0.040 0.000 2.529 27 L HA 0.132 4.472 4.340 -0.000 0.000 0.223 27 L C 2.333 179.296 176.870 0.154 0.000 1.113 27 L CA -0.026 54.837 54.840 0.038 0.000 0.861 27 L CB -0.114 41.857 42.059 -0.147 0.000 1.012 27 L HN 0.182 nan 8.230 nan 0.000 0.461 28 A N 0.365 123.195 122.820 0.016 0.000 1.873 28 A HA -0.215 4.105 4.320 -0.000 0.000 0.215 28 A C 1.798 179.445 177.584 0.105 0.000 1.186 28 A CA 1.764 53.731 52.037 -0.116 0.000 0.616 28 A CB -0.419 18.122 19.000 -0.766 0.000 0.823 28 A HN 0.308 nan 8.150 nan 0.000 0.442 29 D N -0.523 119.993 120.400 0.194 0.000 2.239 29 D HA -0.167 4.473 4.640 -0.000 0.000 0.202 29 D C 1.512 177.877 176.300 0.108 0.000 0.993 29 D CA 1.533 55.667 54.000 0.223 0.000 0.874 29 D CB -0.160 40.746 40.800 0.177 0.000 0.922 29 D HN 0.684 nan 8.370 nan 0.000 0.464 30 Q N -1.244 118.588 119.800 0.054 0.000 2.127 30 Q HA 0.124 4.464 4.340 -0.000 0.000 0.222 30 Q C -0.291 175.406 176.000 -0.504 0.000 0.794 30 Q CA -0.043 55.634 55.803 -0.210 0.000 1.010 30 Q CB 1.282 29.809 28.738 -0.352 0.000 1.170 30 Q HN 0.323 nan 8.270 nan 0.000 0.479 31 H N -0.454 118.632 119.070 0.027 0.000 2.980 31 H HA 0.304 4.860 4.556 -0.000 0.000 0.367 31 H C -0.770 174.571 175.328 0.022 0.000 1.206 31 H CA -0.772 55.283 56.048 0.013 0.000 1.126 31 H CB 1.507 31.265 29.762 -0.006 0.000 1.838 31 H HN -0.065 nan 8.280 nan 0.000 0.552 32 Q N 1.791 121.676 119.800 0.143 0.000 2.303 32 Q HA 0.324 4.664 4.340 -0.000 0.000 0.257 32 Q C -0.592 175.459 176.000 0.085 0.000 0.941 32 Q CA -0.428 55.435 55.803 0.099 0.000 0.931 32 Q CB 2.430 31.214 28.738 0.077 0.000 1.215 32 Q HN 0.312 nan 8.270 nan 0.000 0.437 33 V N 5.307 125.260 119.914 0.065 0.000 2.588 33 V HA 0.526 4.646 4.120 -0.000 0.000 0.304 33 V C -0.920 175.195 176.094 0.035 0.000 1.042 33 V CA -0.702 61.621 62.300 0.038 0.000 0.877 33 V CB 1.726 33.554 31.823 0.009 0.000 0.996 33 V HN 0.686 nan 8.190 nan 0.000 0.425 34 I N 6.762 127.349 120.570 0.028 0.000 2.354 34 I HA 0.460 4.630 4.170 -0.000 0.000 0.292 34 I C -0.563 175.554 176.117 0.001 0.000 0.989 34 I CA -0.782 60.528 61.300 0.017 0.000 1.188 34 I CB 1.923 39.932 38.000 0.017 0.000 1.342 34 I HN 0.282 nan 8.210 nan 0.000 0.457 35 V N 7.555 127.469 119.914 -0.000 0.000 2.370 35 V HA 0.417 4.537 4.120 -0.000 0.000 0.283 35 V C 0.182 176.271 176.094 -0.009 0.000 1.023 35 V CA -0.477 61.824 62.300 0.001 0.000 0.857 35 V CB 1.625 33.454 31.823 0.011 0.000 0.985 35 V HN 0.487 nan 8.190 nan 0.000 0.443 36 L N 3.600 124.817 121.223 -0.010 0.000 2.375 36 L HA 0.755 5.095 4.340 -0.000 0.000 0.268 36 L C 0.196 177.066 176.870 -0.001 0.000 1.058 36 L CA -0.262 54.568 54.840 -0.017 0.000 0.803 36 L CB 1.828 43.875 42.059 -0.021 0.000 1.212 36 L HN 0.651 nan 8.230 nan 0.000 0.451 37 S N 0.085 115.781 115.700 -0.006 0.000 2.677 37 S HA 0.235 4.705 4.470 -0.000 0.000 0.283 37 S C 0.310 174.912 174.600 0.003 0.000 1.159 37 S CA -0.757 57.446 58.200 0.005 0.000 1.001 37 S CB 1.664 64.864 63.200 -0.000 0.000 1.032 37 S HN 0.716 nan 8.310 nan 0.000 0.487 38 K N 2.837 123.251 120.400 0.022 0.000 2.147 38 K HA 0.030 4.350 4.320 -0.000 0.000 0.205 38 K C 1.010 177.622 176.600 0.020 0.000 1.049 38 K CA 1.450 57.758 56.287 0.034 0.000 0.936 38 K CB -0.229 32.304 32.500 0.056 0.000 0.722 38 K HN 0.745 nan 8.250 nan 0.000 0.446 39 G N 0.082 108.890 108.800 0.012 0.000 3.262 39 G HA2 0.373 4.333 3.960 -0.000 0.000 0.229 39 G HA3 0.373 4.333 3.960 -0.000 0.000 0.229 39 G C -2.845 172.043 174.900 -0.020 0.000 1.280 39 G CA -1.035 44.064 45.100 -0.002 0.000 0.951 39 G HN -0.116 nan 8.290 nan 0.000 0.589 40 P HA 0.080 nan 4.420 nan 0.000 0.269 40 P C 1.182 178.455 177.300 -0.044 0.000 1.217 40 P CA -0.343 62.729 63.100 -0.047 0.000 0.783 40 P CB 1.064 32.724 31.700 -0.067 0.000 0.898 41 V N 1.883 121.772 119.914 -0.041 0.000 2.688 41 V HA -0.192 3.928 4.120 -0.000 0.000 0.256 41 V C 1.592 177.667 176.094 -0.032 0.000 1.084 41 V CA 2.890 65.175 62.300 -0.025 0.000 1.103 41 V CB -1.282 30.533 31.823 -0.014 0.000 0.688 41 V HN 0.811 nan 8.190 nan 0.000 0.480 42 T N -2.862 111.636 114.554 -0.095 0.000 3.105 42 T HA 0.189 4.539 4.350 -0.000 0.000 0.253 42 T C 0.456 175.041 174.700 -0.191 0.000 1.047 42 T CA 0.019 62.031 62.100 -0.146 0.000 0.944 42 T CB 0.104 68.777 68.868 -0.325 0.000 1.016 42 T HN 0.418 nan 8.240 nan 0.000 0.544 43 E N 0.868 121.014 120.200 -0.091 0.000 2.115 43 E HA 0.640 4.990 4.350 -0.000 0.000 0.282 43 E C 0.092 176.760 176.600 0.114 0.000 0.987 43 E CA -0.069 56.339 56.400 0.014 0.000 0.797 43 E CB 0.578 30.302 29.700 0.040 0.000 1.086 43 E HN 0.575 nan 8.360 nan 0.000 0.397 44 G N 1.506 110.440 108.800 0.224 0.000 2.441 44 G HA2 0.150 4.110 3.960 -0.000 0.000 0.294 44 G HA3 0.150 4.110 3.960 -0.000 0.000 0.294 44 G C 0.134 175.230 174.900 0.328 0.000 1.393 44 G CA -0.262 44.965 45.100 0.213 0.000 0.796 44 G HN 0.285 nan 8.290 nan 0.000 0.494 45 S N -0.617 115.239 115.700 0.260 0.000 2.428 45 S HA -0.046 4.424 4.470 -0.000 0.000 0.230 45 S C 2.465 177.246 174.600 0.301 0.000 1.014 45 S CA 1.877 60.260 58.200 0.306 0.000 0.957 45 S CB -0.176 63.137 63.200 0.188 0.000 0.784 45 S HN 0.656 nan 8.310 nan 0.000 0.499 46 T N 1.599 116.291 114.554 0.230 0.000 2.759 46 T HA -0.070 4.280 4.350 -0.000 0.000 0.269 46 T C 1.338 176.123 174.700 0.141 0.000 1.042 46 T CA 0.958 63.166 62.100 0.179 0.000 1.140 46 T CB -0.409 68.556 68.868 0.161 0.000 0.864 46 T HN 0.441 nan 8.240 nan 0.000 0.455 47 F N 0.704 120.623 119.950 -0.051 0.000 2.333 47 F HA -0.035 4.492 4.527 0.000 0.000 0.300 47 F C 1.005 176.585 175.800 -0.367 0.000 1.083 47 F CA 0.759 58.595 58.000 -0.274 0.000 1.395 47 F CB -0.199 38.489 39.000 -0.520 0.000 1.056 47 F HN 0.245 nan 8.300 nan 0.000 0.529 48 Y N -0.301 120.093 120.300 0.158 0.000 2.555 48 Y HA 0.488 5.038 4.550 -0.000 0.000 0.259 48 Y C 0.909 176.831 175.900 0.036 0.000 1.179 48 Y CA -0.292 57.864 58.100 0.093 0.000 1.230 48 Y CB -0.575 37.984 38.460 0.165 0.000 1.146 48 Y HN -0.026 nan 8.280 nan 0.000 0.526 49 A N 0.584 123.472 122.820 0.114 0.000 2.440 49 A HA 0.219 4.539 4.320 -0.000 0.000 0.251 49 A C 0.601 178.225 177.584 0.066 0.000 1.089 49 A CA -0.133 51.968 52.037 0.107 0.000 0.779 49 A CB 0.618 19.681 19.000 0.105 0.000 1.022 49 A HN 0.557 nan 8.150 nan 0.000 0.492 50 Q N 2.372 122.222 119.800 0.084 0.000 2.527 50 Q HA 0.103 4.443 4.340 -0.000 0.000 0.194 50 Q C 2.211 178.286 176.000 0.125 0.000 0.963 50 Q CA 0.550 56.407 55.803 0.090 0.000 0.861 50 Q CB -0.238 28.535 28.738 0.059 0.000 1.051 50 Q HN 0.906 nan 8.270 nan 0.000 0.605 51 G N 0.740 109.602 108.800 0.103 0.000 2.547 51 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.221 51 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.221 51 G C 0.657 175.583 174.900 0.043 0.000 1.140 51 G CA 1.105 46.246 45.100 0.068 0.000 0.760 51 G HN 0.604 nan 8.290 nan 0.000 0.583 52 G N -1.639 107.208 108.800 0.078 0.000 2.343 52 G HA2 0.170 4.130 3.960 -0.000 0.000 0.465 52 G HA3 0.170 4.130 3.960 -0.000 0.000 0.465 52 G C -1.026 173.895 174.900 0.034 0.000 1.282 52 G CA -0.502 44.647 45.100 0.081 0.000 0.996 52 G HN 0.516 nan 8.290 nan 0.000 0.521 53 I N 1.041 121.601 120.570 -0.018 0.000 2.404 53 I HA 0.610 4.780 4.170 -0.000 0.000 0.293 53 I C 0.865 176.941 176.117 -0.069 0.000 0.992 53 I CA -0.829 60.464 61.300 -0.012 0.000 1.149 53 I CB 1.775 39.784 38.000 0.015 0.000 1.315 53 I HN 0.931 nan 8.210 nan 0.000 0.446 54 A N 4.785 127.613 122.820 0.013 0.000 2.316 54 A HA 0.887 5.207 4.320 -0.000 0.000 0.284 54 A C -0.041 177.580 177.584 0.062 0.000 1.115 54 A CA 0.034 52.072 52.037 0.003 0.000 0.812 54 A CB 0.878 19.927 19.000 0.082 0.000 1.064 54 A HN 0.965 nan 8.150 nan 0.000 0.489 55 A N 0.625 123.455 122.820 0.017 0.000 2.506 55 A HA 0.699 5.019 4.320 -0.000 0.000 0.305 55 A C -1.561 176.079 177.584 0.094 0.000 1.166 55 A CA -0.300 51.826 52.037 0.149 0.000 0.638 55 A CB 0.566 19.742 19.000 0.293 0.000 1.336 55 A HN 1.438 nan 8.150 nan 0.000 0.493 56 V N 0.390 120.397 119.914 0.155 0.000 2.447 56 V HA 0.521 4.641 4.120 -0.000 0.000 0.292 56 V C -0.953 175.182 176.094 0.069 0.000 1.021 56 V CA 0.108 62.465 62.300 0.094 0.000 0.850 56 V CB 1.036 32.880 31.823 0.036 0.000 1.005 56 V HN 0.835 nan 8.190 nan 0.000 0.426 57 F N 0.816 120.742 119.950 -0.039 0.000 2.789 57 F HA 0.315 4.842 4.527 -0.000 0.000 0.320 57 F C 1.177 176.971 175.800 -0.011 0.000 1.079 57 F CA -0.265 57.726 58.000 -0.015 0.000 1.205 57 F CB 0.585 39.589 39.000 0.007 0.000 1.046 57 F HN 0.440 nan 8.300 nan 0.000 0.586 58 D N 1.202 121.679 120.400 0.128 0.000 2.304 58 D HA 0.031 4.671 4.640 -0.000 0.000 0.247 58 D C 0.792 177.088 176.300 -0.006 0.000 1.089 58 D CA 0.159 54.193 54.000 0.056 0.000 0.910 58 D CB 1.363 42.176 40.800 0.022 0.000 1.199 58 D HN 0.359 nan 8.370 nan 0.000 0.426 59 E N 1.131 121.322 120.200 -0.015 0.000 2.153 59 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 59 E C 1.573 178.129 176.600 -0.073 0.000 0.988 59 E CA 0.990 57.367 56.400 -0.039 0.000 0.811 59 E CB -0.022 29.660 29.700 -0.029 0.000 0.746 59 E HN 0.415 nan 8.360 nan 0.000 0.466 60 T N 0.695 115.193 114.554 -0.093 0.000 2.904 60 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 60 T C 0.733 175.218 174.700 -0.358 0.000 1.059 60 T CA 0.833 62.830 62.100 -0.172 0.000 1.137 60 T CB -0.139 68.645 68.868 -0.140 0.000 0.879 60 T HN 0.126 nan 8.240 nan 0.000 0.467 61 D N 1.157 121.385 120.400 -0.286 0.000 2.414 61 D HA 0.358 4.998 4.640 -0.000 0.000 0.251 61 D C -0.046 176.162 176.300 -0.154 0.000 1.252 61 D CA -0.085 53.730 54.000 -0.309 0.000 0.999 61 D CB 0.957 41.718 40.800 -0.065 0.000 1.093 61 D HN 0.311 nan 8.370 nan 0.000 0.515 62 S N -0.482 115.192 115.700 -0.043 0.000 2.579 62 S HA 0.355 4.825 4.470 -0.000 0.000 0.272 62 S C 1.026 175.661 174.600 0.057 0.000 1.141 62 S CA -0.754 57.444 58.200 -0.004 0.000 0.843 62 S CB 0.770 63.968 63.200 -0.003 0.000 1.122 62 S HN 0.358 nan 8.310 nan 0.000 0.468 63 I N 1.196 121.787 120.570 0.034 0.000 2.163 63 I HA -0.155 4.015 4.170 -0.000 0.000 0.243 63 I C 1.933 178.086 176.117 0.059 0.000 1.085 63 I CA 1.589 62.920 61.300 0.053 0.000 1.347 63 I CB -0.346 37.651 38.000 -0.005 0.000 1.044 63 I HN 0.734 nan 8.210 nan 0.000 0.408 64 D N -0.207 120.215 120.400 0.037 0.000 2.149 64 D HA -0.235 4.405 4.640 -0.000 0.000 0.194 64 D C 2.349 178.689 176.300 0.067 0.000 1.001 64 D CA 1.661 55.683 54.000 0.037 0.000 0.849 64 D CB -0.224 40.595 40.800 0.032 0.000 0.939 64 D HN 0.202 nan 8.370 nan 0.000 0.449 65 S N -1.473 114.292 115.700 0.108 0.000 2.387 65 S HA -0.176 4.294 4.470 -0.000 0.000 0.226 65 S C 1.895 176.588 174.600 0.156 0.000 1.026 65 S CA 1.138 59.426 58.200 0.146 0.000 0.972 65 S CB -0.274 63.087 63.200 0.269 0.000 0.814 65 S HN 0.470 nan 8.310 nan 0.000 0.477 66 H N -0.050 119.044 119.070 0.041 0.000 2.353 66 H HA -0.043 4.513 4.556 -0.000 0.000 0.300 66 H C 2.015 177.330 175.328 -0.022 0.000 1.090 66 H CA 1.473 57.525 56.048 0.007 0.000 1.327 66 H CB -0.024 29.753 29.762 0.026 0.000 1.383 66 H HN 0.281 nan 8.280 nan 0.000 0.508 67 V N 1.255 121.166 119.914 -0.005 0.000 2.219 67 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 67 V C 2.389 178.469 176.094 -0.022 0.000 1.053 67 V CA 2.397 64.658 62.300 -0.065 0.000 1.009 67 V CB -0.776 31.020 31.823 -0.045 0.000 0.636 67 V HN 0.539 nan 8.190 nan 0.000 0.445 68 E N -0.127 120.077 120.200 0.006 0.000 2.086 68 E HA -0.338 4.012 4.350 -0.000 0.000 0.200 68 E C 1.895 178.491 176.600 -0.006 0.000 1.012 68 E CA 2.035 58.438 56.400 0.005 0.000 0.812 68 E CB -0.220 29.490 29.700 0.017 0.000 0.743 68 E HN 0.630 nan 8.360 nan 0.000 0.453 69 D N -0.582 119.815 120.400 -0.005 0.000 2.116 69 D HA -0.162 4.478 4.640 -0.000 0.000 0.193 69 D C 1.962 178.235 176.300 -0.044 0.000 0.998 69 D CA 2.003 55.978 54.000 -0.041 0.000 0.836 69 D CB -0.531 40.222 40.800 -0.078 0.000 0.951 69 D HN 0.236 nan 8.370 nan 0.000 0.449 70 T N 0.619 115.157 114.554 -0.027 0.000 2.770 70 T HA -0.005 4.345 4.350 -0.000 0.000 0.263 70 T C 2.206 176.895 174.700 -0.018 0.000 1.039 70 T CA 0.426 62.512 62.100 -0.024 0.000 1.142 70 T CB -0.225 68.622 68.868 -0.035 0.000 0.868 70 T HN 0.115 nan 8.240 nan 0.000 0.435 71 L N 0.327 121.540 121.223 -0.018 0.000 2.042 71 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 71 L C 2.463 179.328 176.870 -0.009 0.000 1.076 71 L CA 1.343 56.177 54.840 -0.011 0.000 0.749 71 L CB -0.762 41.294 42.059 -0.006 0.000 0.893 71 L HN 0.240 nan 8.230 nan 0.000 0.432 72 I N 0.317 120.880 120.570 -0.011 0.000 2.142 72 I HA -0.268 3.902 4.170 -0.000 0.000 0.240 72 I C 2.753 178.864 176.117 -0.011 0.000 1.078 72 I CA 1.364 62.659 61.300 -0.009 0.000 1.343 72 I CB -0.428 37.565 38.000 -0.012 0.000 1.046 72 I HN 0.180 nan 8.210 nan 0.000 0.405 73 A N 0.352 123.161 122.820 -0.019 0.000 2.125 73 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 73 A C 2.191 179.768 177.584 -0.013 0.000 1.156 73 A CA 1.630 53.657 52.037 -0.017 0.000 0.671 73 A CB -1.088 17.894 19.000 -0.029 0.000 0.794 73 A HN 0.511 nan 8.150 nan 0.000 0.459 74 G N -2.521 106.270 108.800 -0.015 0.000 3.042 74 G HA2 0.392 4.352 3.960 -0.000 0.000 0.212 74 G HA3 0.392 4.352 3.960 -0.000 0.000 0.212 74 G C 0.830 175.699 174.900 -0.051 0.000 1.166 74 G CA 0.515 45.597 45.100 -0.030 0.000 0.767 74 G HN 1.527 nan 8.290 nan 0.000 0.546 75 A N -1.110 121.697 122.820 -0.022 0.000 2.872 75 A HA 0.220 4.540 4.320 -0.000 0.000 0.273 75 A C 1.908 179.488 177.584 -0.007 0.000 1.442 75 A CA 1.738 53.770 52.037 -0.009 0.000 0.801 75 A CB -1.564 17.435 19.000 -0.002 0.000 1.031 75 A HN 2.285 nan 8.150 nan 0.000 0.582 76 G N -1.996 106.801 108.800 -0.005 0.000 2.176 76 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.232 76 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.232 76 G C 0.700 175.607 174.900 0.013 0.000 0.986 76 G CA 0.655 45.761 45.100 0.009 0.000 0.643 76 G HN 2.264 nan 8.290 nan 0.000 0.522 77 I N -2.131 118.436 120.570 -0.005 0.000 4.160 77 I HA 0.407 4.577 4.170 -0.000 0.000 0.325 77 I C 1.067 177.198 176.117 0.024 0.000 1.455 77 I CA -0.744 60.567 61.300 0.018 0.000 1.142 77 I CB -0.368 37.650 38.000 0.029 0.000 1.262 77 I HN 0.038 nan 8.210 nan 0.000 0.483 78 C N 2.364 121.667 119.300 0.004 0.000 2.745 78 C HA -0.010 4.450 4.460 -0.000 0.000 0.402 78 C C 0.816 175.816 174.990 0.017 0.000 1.261 78 C CA 0.472 59.494 59.018 0.008 0.000 1.908 78 C CB -0.307 27.429 27.740 -0.007 0.000 2.707 78 C HN 0.493 nan 8.230 nan 0.000 0.672 79 D N 0.627 121.027 120.400 0.000 0.000 2.359 79 D HA 0.139 4.779 4.640 -0.000 0.000 0.230 79 D C 1.143 177.446 176.300 0.004 0.000 1.118 79 D CA -0.206 53.798 54.000 0.007 0.000 0.844 79 D CB 0.292 41.085 40.800 -0.011 0.000 1.059 79 D HN 0.468 nan 8.370 nan 0.000 0.493 80 R N 2.597 123.112 120.500 0.024 0.000 2.096 80 R HA -0.259 4.081 4.340 -0.000 0.000 0.240 80 R C 1.616 177.941 176.300 0.041 0.000 1.139 80 R CA 1.632 57.748 56.100 0.027 0.000 0.952 80 R CB -0.244 30.078 30.300 0.036 0.000 0.854 80 R HN 0.607 nan 8.270 nan 0.000 0.436 81 H N -0.174 118.887 119.070 -0.015 0.000 2.319 81 H HA -0.107 4.449 4.556 -0.000 0.000 0.297 81 H C 1.736 177.072 175.328 0.014 0.000 1.097 81 H CA 2.295 58.336 56.048 -0.011 0.000 1.285 81 H CB -0.249 29.476 29.762 -0.061 0.000 1.368 81 H HN 0.334 nan 8.280 nan 0.000 0.495 82 A N -0.189 122.598 122.820 -0.054 0.000 1.902 82 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 82 A C 2.753 180.371 177.584 0.056 0.000 1.181 82 A CA 1.794 53.791 52.037 -0.067 0.000 0.623 82 A CB -0.971 17.981 19.000 -0.080 0.000 0.818 82 A HN 0.345 nan 8.150 nan 0.000 0.443 83 V N -0.150 119.760 119.914 -0.007 0.000 2.358 83 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 83 V C 2.462 178.524 176.094 -0.052 0.000 1.047 83 V CA 2.311 64.591 62.300 -0.034 0.000 1.035 83 V CB -0.724 31.066 31.823 -0.055 0.000 0.658 83 V HN 0.635 nan 8.190 nan 0.000 0.452 84 E N -0.740 119.436 120.200 -0.041 0.000 2.015 84 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 84 E C 1.964 178.528 176.600 -0.061 0.000 0.991 84 E CA 1.482 57.846 56.400 -0.061 0.000 0.802 84 E CB -0.262 29.412 29.700 -0.044 0.000 0.759 84 E HN 0.505 nan 8.360 nan 0.000 0.447 85 F N 1.710 121.494 119.950 -0.278 0.000 2.070 85 F HA -0.383 4.144 4.527 0.000 0.000 0.298 85 F C 2.229 177.919 175.800 -0.183 0.000 1.189 85 F CA 1.795 59.615 58.000 -0.299 0.000 1.223 85 F CB -1.047 37.726 39.000 -0.380 0.000 0.939 85 F HN -0.158 nan 8.300 nan 0.000 0.531 86 V N 0.704 120.594 119.914 -0.041 0.000 2.250 86 V HA -0.440 3.680 4.120 -0.000 0.000 0.253 86 V C 2.722 178.713 176.094 -0.172 0.000 1.065 86 V CA 2.676 64.902 62.300 -0.123 0.000 1.039 86 V CB -1.645 30.254 31.823 0.127 0.000 0.647 86 V HN 0.719 nan 8.190 nan 0.000 0.446 87 A N 0.204 122.916 122.820 -0.179 0.000 1.917 87 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 87 A C 2.270 179.754 177.584 -0.167 0.000 1.182 87 A CA 2.385 54.260 52.037 -0.269 0.000 0.633 87 A CB -0.825 17.952 19.000 -0.373 0.000 0.819 87 A HN 0.813 nan 8.150 nan 0.000 0.448 88 S N -0.768 114.824 115.700 -0.181 0.000 2.727 88 S HA 0.041 4.511 4.470 -0.000 0.000 0.226 88 S C 0.779 175.227 174.600 -0.253 0.000 0.963 88 S CA 0.645 58.735 58.200 -0.183 0.000 0.950 88 S CB -0.353 62.748 63.200 -0.164 0.000 0.779 88 S HN 0.585 nan 8.310 nan 0.000 0.532 89 N N 0.026 118.553 118.700 -0.289 0.000 2.194 89 N HA 0.377 5.117 4.740 -0.000 0.000 0.231 89 N C 1.112 176.447 175.510 -0.293 0.000 1.247 89 N CA 0.572 53.391 53.050 -0.385 0.000 0.884 89 N CB 0.911 39.044 38.487 -0.590 0.000 1.146 89 N HN 0.436 nan 8.380 nan 0.000 0.516 90 A N 2.488 125.218 122.820 -0.150 0.000 2.010 90 A HA -0.138 4.182 4.320 -0.000 0.000 0.204 90 A C 1.936 179.500 177.584 -0.033 0.000 1.364 90 A CA 1.686 53.691 52.037 -0.053 0.000 0.622 90 A CB -0.870 18.164 19.000 0.058 0.000 0.983 90 A HN 0.391 nan 8.150 nan 0.000 0.491 91 R N -0.668 119.870 120.500 0.063 0.000 2.506 91 R HA -0.331 4.009 4.340 -0.000 0.000 0.216 91 R C 2.073 178.440 176.300 0.111 0.000 0.900 91 R CA 2.942 59.145 56.100 0.171 0.000 0.778 91 R CB -1.570 28.558 30.300 -0.287 0.000 0.885 91 R HN 0.424 nan 8.270 nan 0.000 0.408 92 S N -0.290 115.381 115.700 -0.048 0.000 2.426 92 S HA -0.219 4.251 4.470 -0.000 0.000 0.220 92 S C 2.146 176.740 174.600 -0.009 0.000 1.040 92 S CA 1.735 59.885 58.200 -0.085 0.000 1.094 92 S CB -0.624 62.426 63.200 -0.250 0.000 1.072 92 S HN 0.626 nan 8.310 nan 0.000 0.415 93 C N 0.983 120.206 119.300 -0.129 0.000 2.391 93 C HA -0.061 4.399 4.460 -0.000 0.000 0.276 93 C C 2.629 177.713 174.990 0.158 0.000 1.217 93 C CA 0.869 59.862 59.018 -0.042 0.000 1.766 93 C CB -1.562 26.105 27.740 -0.123 0.000 2.046 93 C HN 0.512 nan 8.230 nan 0.000 0.475 94 V N 0.329 120.328 119.914 0.142 0.000 2.379 94 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 94 V C 2.587 178.849 176.094 0.280 0.000 1.044 94 V CA 2.170 64.600 62.300 0.216 0.000 1.036 94 V CB -0.783 31.136 31.823 0.160 0.000 0.664 94 V HN 0.489 nan 8.190 nan 0.000 0.453 95 Q N -0.522 119.433 119.800 0.260 0.000 2.135 95 Q HA -0.278 4.062 4.340 -0.000 0.000 0.204 95 Q C 1.872 178.018 176.000 0.243 0.000 0.981 95 Q CA 2.412 58.364 55.803 0.249 0.000 0.856 95 Q CB -0.623 28.226 28.738 0.186 0.000 0.902 95 Q HN 0.751 nan 8.270 nan 0.000 0.425 96 W N -0.604 120.729 121.300 0.055 0.000 2.374 96 W HA -0.188 4.472 4.660 -0.000 0.000 0.288 96 W C 1.392 177.950 176.519 0.066 0.000 1.218 96 W CA 0.930 58.303 57.345 0.045 0.000 1.245 96 W CB -0.162 29.308 29.460 0.018 0.000 1.126 96 W HN 0.309 nan 8.180 nan 0.000 0.545 97 L N 0.874 122.368 121.223 0.451 0.000 2.027 97 L HA -0.146 4.194 4.340 -0.000 0.000 0.206 97 L C 2.312 179.191 176.870 0.014 0.000 1.074 97 L CA 1.881 56.878 54.840 0.262 0.000 0.745 97 L CB -1.260 41.014 42.059 0.359 0.000 0.898 97 L HN 0.065 nan 8.230 nan 0.000 0.433 98 I N -0.409 120.228 120.570 0.111 0.000 2.163 98 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 98 I C 1.774 177.871 176.117 -0.034 0.000 1.085 98 I CA 1.556 62.890 61.300 0.057 0.000 1.347 98 I CB -0.467 37.638 38.000 0.175 0.000 1.044 98 I HN 0.229 nan 8.210 nan 0.000 0.408 99 D N 0.257 120.621 120.400 -0.060 0.000 2.354 99 D HA -0.154 4.486 4.640 -0.000 0.000 0.216 99 D C 1.926 178.086 176.300 -0.234 0.000 0.970 99 D CA 0.773 54.697 54.000 -0.128 0.000 0.905 99 D CB -0.077 40.633 40.800 -0.150 0.000 0.903 99 D HN 0.353 nan 8.370 nan 0.000 0.508 100 Q N -1.201 118.413 119.800 -0.311 0.000 2.319 100 Q HA 0.261 4.601 4.340 -0.000 0.000 0.202 100 Q C 1.263 177.144 176.000 -0.199 0.000 0.896 100 Q CA 0.579 56.172 55.803 -0.350 0.000 0.942 100 Q CB 1.305 29.733 28.738 -0.517 0.000 1.083 100 Q HN 0.307 nan 8.270 nan 0.000 0.510 101 G N -0.091 108.618 108.800 -0.152 0.000 2.183 101 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.168 101 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.168 101 G C -0.069 174.745 174.900 -0.142 0.000 1.008 101 G CA -0.162 44.867 45.100 -0.119 0.000 0.677 101 G HN 0.132 nan 8.290 nan 0.000 0.498 102 V N 1.929 121.730 119.914 -0.188 0.000 2.498 102 V HA 0.517 4.637 4.120 -0.000 0.000 0.279 102 V C 0.800 176.656 176.094 -0.395 0.000 1.048 102 V CA -0.318 61.781 62.300 -0.335 0.000 0.967 102 V CB 1.604 33.142 31.823 -0.476 0.000 0.988 102 V HN 0.275 nan 8.190 nan 0.000 0.473 103 L N 6.038 127.029 121.223 -0.386 0.000 2.264 103 L HA 0.490 4.830 4.340 -0.000 0.000 0.287 103 L C -0.590 176.081 176.870 -0.333 0.000 1.039 103 L CA 0.041 54.729 54.840 -0.254 0.000 0.829 103 L CB 0.419 42.392 42.059 -0.144 0.000 1.211 103 L HN 0.485 nan 8.230 nan 0.000 0.427 104 F N 0.781 120.709 119.950 -0.038 0.000 2.399 104 F HA 0.231 4.758 4.527 -0.000 0.000 0.328 104 F C 0.807 176.610 175.800 0.006 0.000 1.084 104 F CA -0.908 57.033 58.000 -0.097 0.000 1.053 104 F CB 0.901 39.733 39.000 -0.280 0.000 1.209 104 F HN 0.381 nan 8.300 nan 0.000 0.502 105 D N 1.337 121.802 120.400 0.109 0.000 2.502 105 D HA -0.033 4.607 4.640 -0.000 0.000 0.249 105 D C 0.089 176.490 176.300 0.168 0.000 1.188 105 D CA 0.553 54.561 54.000 0.013 0.000 0.890 105 D CB 0.371 41.014 40.800 -0.261 0.000 1.140 105 D HN 0.332 nan 8.370 nan 0.000 0.505 106 T N 3.181 117.801 114.554 0.111 0.000 2.814 106 T HA 0.002 4.352 4.350 -0.000 0.000 0.297 106 T C 0.724 175.486 174.700 0.103 0.000 0.956 106 T CA -0.221 61.926 62.100 0.079 0.000 1.123 106 T CB 0.523 69.401 68.868 0.017 0.000 0.902 106 T HN 0.295 nan 8.240 nan 0.000 0.528 107 H N 3.271 122.384 119.070 0.071 0.000 2.339 107 H HA 0.383 4.939 4.556 0.000 0.000 0.228 107 H C 1.390 176.737 175.328 0.032 0.000 1.581 107 H CA 0.684 56.793 56.048 0.102 0.000 1.507 107 H CB 0.232 30.086 29.762 0.153 0.000 1.679 107 H HN 0.690 nan 8.280 nan 0.000 0.726 108 I N -3.216 117.482 120.570 0.214 0.000 4.592 108 I HA 0.140 4.310 4.170 -0.000 0.000 0.404 108 I C 0.261 176.375 176.117 -0.005 0.000 1.013 108 I CA 0.029 61.375 61.300 0.077 0.000 1.376 108 I CB 0.408 38.465 38.000 0.095 0.000 2.588 108 I HN 0.318 nan 8.210 nan 0.000 0.794 109 Q N 1.895 121.640 119.800 -0.092 0.000 2.052 109 Q HA 0.385 4.725 4.340 -0.000 0.000 0.250 109 Q C -2.405 173.488 176.000 -0.178 0.000 0.851 109 Q CA -1.015 54.699 55.803 -0.148 0.000 1.029 109 Q CB 0.798 29.427 28.738 -0.182 0.000 1.274 109 Q HN 0.223 nan 8.270 nan 0.000 0.411 110 P HA -0.028 nan 4.420 nan 0.000 0.274 110 P C 0.592 177.850 177.300 -0.070 0.000 1.248 110 P CA 0.174 63.220 63.100 -0.089 0.000 0.827 110 P CB 0.524 32.197 31.700 -0.044 0.000 0.972 111 N N -0.622 118.050 118.700 -0.046 0.000 2.573 111 N HA -0.068 4.672 4.740 -0.000 0.000 0.187 111 N C 1.440 176.933 175.510 -0.029 0.000 1.107 111 N CA 1.298 54.326 53.050 -0.036 0.000 0.918 111 N CB -0.266 38.205 38.487 -0.026 0.000 0.966 111 N HN 0.509 nan 8.380 nan 0.000 0.448 112 G N -0.407 108.376 108.800 -0.028 0.000 2.613 112 G HA2 0.043 4.003 3.960 -0.000 0.000 0.218 112 G HA3 0.043 4.003 3.960 -0.000 0.000 0.218 112 G C 0.368 175.254 174.900 -0.025 0.000 1.508 112 G CA 0.088 45.175 45.100 -0.022 0.000 0.788 112 G HN 0.082 nan 8.290 nan 0.000 0.603 113 E N 0.218 120.403 120.200 -0.025 0.000 2.393 113 E HA 0.278 4.628 4.350 -0.000 0.000 0.265 113 E C -1.008 175.576 176.600 -0.027 0.000 0.941 113 E CA -0.641 55.744 56.400 -0.024 0.000 0.801 113 E CB 2.138 31.826 29.700 -0.020 0.000 1.313 113 E HN 0.211 nan 8.360 nan 0.000 0.435 114 E N 0.536 120.720 120.200 -0.027 0.000 2.652 114 E HA 0.028 4.378 4.350 -0.000 0.000 0.255 114 E C -0.985 175.582 176.600 -0.055 0.000 0.952 114 E CA 0.653 57.034 56.400 -0.033 0.000 0.947 114 E CB 0.422 30.093 29.700 -0.048 0.000 0.912 114 E HN 0.271 nan 8.360 nan 0.000 0.489 115 S N 2.428 118.112 115.700 -0.027 0.000 2.697 115 S HA 0.320 4.790 4.470 -0.000 0.000 0.289 115 S C -1.445 173.142 174.600 -0.021 0.000 1.149 115 S CA -0.664 57.512 58.200 -0.040 0.000 0.850 115 S CB 0.673 63.903 63.200 0.049 0.000 1.151 115 S HN 0.445 nan 8.310 nan 0.000 0.491 116 Y N 2.143 122.477 120.300 0.057 0.000 2.393 116 Y HA 0.176 4.726 4.550 0.000 0.000 0.338 116 Y C 1.134 177.060 175.900 0.042 0.000 1.029 116 Y CA -0.122 57.981 58.100 0.005 0.000 1.239 116 Y CB 0.421 38.777 38.460 -0.174 0.000 1.170 116 Y HN 0.605 nan 8.280 nan 0.000 0.515 117 H N 5.177 124.336 119.070 0.149 0.000 2.815 117 H HA 0.263 4.819 4.556 -0.000 0.000 0.350 117 H C -1.181 174.196 175.328 0.081 0.000 1.080 117 H CA 0.246 56.323 56.048 0.048 0.000 1.433 117 H CB 0.566 30.208 29.762 -0.199 0.000 1.432 117 H HN 0.663 nan 8.280 nan 0.000 0.592 118 L N 4.057 124.863 121.223 -0.694 0.000 2.381 118 L HA 0.318 4.658 4.340 -0.000 0.000 0.268 118 L C 0.399 176.980 176.870 -0.482 0.000 0.997 118 L CA -0.793 53.811 54.840 -0.394 0.000 0.818 118 L CB 2.327 44.244 42.059 -0.237 0.000 1.310 118 L HN 0.609 nan 8.230 nan 0.000 0.416 119 T N 0.054 114.400 114.554 -0.347 0.000 2.876 119 T HA 0.722 5.072 4.350 -0.000 0.000 0.277 119 T C -0.380 174.172 174.700 -0.247 0.000 0.997 119 T CA -0.873 61.055 62.100 -0.287 0.000 0.966 119 T CB 1.655 70.301 68.868 -0.370 0.000 1.312 119 T HN 0.728 nan 8.240 nan 0.000 0.598 120 R N -0.581 119.797 120.500 -0.204 0.000 2.817 120 R HA 0.782 5.122 4.340 -0.000 0.000 0.268 120 R C -1.435 174.735 176.300 -0.216 0.000 1.027 120 R CA -0.950 55.004 56.100 -0.244 0.000 0.928 120 R CB 1.801 32.034 30.300 -0.112 0.000 1.228 120 R HN 0.732 nan 8.270 nan 0.000 0.469 121 E N -0.135 119.913 120.200 -0.252 0.000 2.442 121 E HA 0.336 4.686 4.350 -0.000 0.000 0.271 121 E C -0.647 175.987 176.600 0.058 0.000 1.002 121 E CA -1.279 55.069 56.400 -0.088 0.000 0.864 121 E CB 1.176 30.819 29.700 -0.095 0.000 1.573 121 E HN 0.741 nan 8.360 nan 0.000 0.456 122 G N -0.701 108.139 108.800 0.066 0.000 2.414 122 G HA2 0.309 4.269 3.960 -0.000 0.000 0.236 122 G HA3 0.309 4.269 3.960 -0.000 0.000 0.236 122 G C 0.893 175.868 174.900 0.125 0.000 1.293 122 G CA 0.543 45.684 45.100 0.068 0.000 0.869 122 G HN 0.818 nan 8.290 nan 0.000 0.556 123 G N 0.697 109.534 108.800 0.062 0.000 2.212 123 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.266 123 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.266 123 G C 0.498 175.378 174.900 -0.034 0.000 0.978 123 G CA 0.672 45.775 45.100 0.005 0.000 0.632 123 G HN 0.957 nan 8.290 nan 0.000 0.537 124 H N 0.203 119.253 119.070 -0.034 0.000 2.562 124 H HA 0.484 5.040 4.556 -0.000 0.000 0.352 124 H C 0.595 175.871 175.328 -0.086 0.000 1.125 124 H CA 0.572 56.590 56.048 -0.049 0.000 1.379 124 H CB 1.547 31.274 29.762 -0.058 0.000 1.464 124 H HN 0.157 nan 8.280 nan 0.000 0.563 125 S N 1.149 116.823 115.700 -0.043 0.000 2.559 125 S HA 0.106 4.576 4.470 -0.000 0.000 0.226 125 S C 0.192 174.505 174.600 -0.479 0.000 1.000 125 S CA -0.171 57.877 58.200 -0.253 0.000 0.948 125 S CB 0.461 63.467 63.200 -0.323 0.000 0.870 125 S HN 0.569 nan 8.310 nan 0.000 0.497 126 H N 0.429 119.529 119.070 0.049 0.000 3.038 126 H HA 0.454 5.010 4.556 -0.000 0.000 0.289 126 H C -0.689 174.644 175.328 0.007 0.000 1.510 126 H CA -0.853 55.210 56.048 0.025 0.000 1.227 126 H CB 0.784 30.559 29.762 0.021 0.000 1.880 126 H HN -0.071 nan 8.280 nan 0.000 0.594 127 R N 1.308 121.894 120.500 0.143 0.000 2.207 127 R HA 0.255 4.595 4.340 -0.000 0.000 0.334 127 R C 0.430 176.720 176.300 -0.017 0.000 1.013 127 R CA -0.142 55.966 56.100 0.014 0.000 0.858 127 R CB 0.415 30.702 30.300 -0.020 0.000 1.094 127 R HN 0.693 nan 8.270 nan 0.000 0.457 128 R N 3.399 123.847 120.500 -0.088 0.000 2.490 128 R HA 0.224 4.564 4.340 -0.000 0.000 0.410 128 R C -1.069 175.130 176.300 -0.168 0.000 0.876 128 R CA -0.355 55.693 56.100 -0.088 0.000 1.061 128 R CB 0.089 30.364 30.300 -0.042 0.000 1.553 128 R HN 0.380 nan 8.270 nan 0.000 0.593 129 I N 2.854 123.284 120.570 -0.233 0.000 2.437 129 I HA 0.291 4.461 4.170 -0.000 0.000 0.279 129 I C -0.077 175.889 176.117 -0.251 0.000 1.028 129 I CA -1.056 60.092 61.300 -0.253 0.000 1.142 129 I CB 1.719 39.543 38.000 -0.294 0.000 1.266 129 I HN 0.094 nan 8.210 nan 0.000 0.461 130 L N 7.007 128.012 121.223 -0.364 0.000 2.462 130 L HA 0.192 4.532 4.340 -0.000 0.000 0.272 130 L C 0.267 177.051 176.870 -0.144 0.000 1.166 130 L CA 0.524 55.076 54.840 -0.480 0.000 0.880 130 L CB -0.687 40.589 42.059 -1.305 0.000 1.142 130 L HN 0.754 nan 8.230 nan 0.000 0.473 131 H N 1.070 120.105 119.070 -0.059 0.000 2.960 131 H HA 0.835 5.391 4.556 -0.000 0.000 0.303 131 H C -0.968 174.492 175.328 0.219 0.000 1.412 131 H CA -1.219 54.912 56.048 0.139 0.000 1.227 131 H CB 1.878 31.669 29.762 0.047 0.000 1.912 131 H HN 0.546 nan 8.280 nan 0.000 0.583 132 A N 1.341 124.187 122.820 0.044 0.000 2.328 132 A HA 0.694 5.014 4.320 -0.000 0.000 0.318 132 A C 0.970 178.460 177.584 -0.157 0.000 1.347 132 A CA 0.041 52.000 52.037 -0.130 0.000 0.842 132 A CB -0.546 18.403 19.000 -0.085 0.000 1.148 132 A HN 1.502 nan 8.150 nan 0.000 0.499 133 A N 2.434 125.058 122.820 -0.327 0.000 5.476 133 A HA -0.263 4.057 4.320 -0.000 0.000 0.327 133 A C 0.872 178.514 177.584 0.096 0.000 1.778 133 A CA 1.782 53.713 52.037 -0.177 0.000 0.721 133 A CB -1.259 17.683 19.000 -0.097 0.000 1.388 133 A HN 1.590 nan 8.150 nan 0.000 0.397 134 D N -0.387 120.098 120.400 0.142 0.000 2.615 134 D HA 0.543 5.183 4.640 -0.000 0.000 0.236 134 D C 0.064 176.469 176.300 0.175 0.000 1.233 134 D CA 0.888 55.053 54.000 0.275 0.000 0.829 134 D CB -0.219 40.878 40.800 0.494 0.000 1.024 134 D HN 1.589 nan 8.370 nan 0.000 0.490 135 A N -0.262 122.616 122.820 0.096 0.000 2.897 135 A HA 0.300 4.620 4.320 -0.000 0.000 0.230 135 A C 1.324 178.892 177.584 -0.026 0.000 0.896 135 A CA -0.433 51.617 52.037 0.023 0.000 1.114 135 A CB -0.151 18.841 19.000 -0.014 0.000 1.230 135 A HN 0.051 nan 8.150 nan 0.000 0.481 136 T N -0.046 114.534 114.554 0.043 0.000 2.685 136 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 136 T C 2.134 176.817 174.700 -0.027 0.000 1.034 136 T CA 2.415 64.545 62.100 0.051 0.000 1.149 136 T CB -0.264 68.698 68.868 0.157 0.000 0.860 136 T HN 0.751 nan 8.240 nan 0.000 0.449 137 G N 1.210 109.984 108.800 -0.044 0.000 2.469 137 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.220 137 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.220 137 G C 1.524 176.274 174.900 -0.250 0.000 1.136 137 G CA 1.116 46.159 45.100 -0.095 0.000 0.759 137 G HN 0.487 nan 8.290 nan 0.000 0.562 138 R N -0.019 120.229 120.500 -0.420 0.000 2.091 138 R HA -0.083 4.257 4.340 -0.000 0.000 0.238 138 R C 2.396 178.536 176.300 -0.267 0.000 1.136 138 R CA 1.534 57.275 56.100 -0.598 0.000 0.959 138 R CB -0.219 29.779 30.300 -0.503 0.000 0.856 138 R HN 0.225 nan 8.270 nan 0.000 0.437 139 E N 0.018 120.103 120.200 -0.192 0.000 2.106 139 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 139 E C 1.949 178.470 176.600 -0.133 0.000 0.984 139 E CA 1.158 57.464 56.400 -0.158 0.000 0.806 139 E CB 0.083 29.664 29.700 -0.198 0.000 0.750 139 E HN 0.231 nan 8.360 nan 0.000 0.458 140 V N 0.692 120.543 119.914 -0.103 0.000 2.302 140 V HA -0.188 3.932 4.120 -0.000 0.000 0.243 140 V C 2.432 178.534 176.094 0.014 0.000 1.036 140 V CA 1.836 64.111 62.300 -0.042 0.000 1.020 140 V CB -0.479 31.359 31.823 0.024 0.000 0.657 140 V HN 0.163 nan 8.190 nan 0.000 0.453 141 E N 0.772 120.994 120.200 0.037 0.000 2.023 141 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 141 E C 2.255 178.921 176.600 0.109 0.000 1.003 141 E CA 2.361 58.831 56.400 0.116 0.000 0.809 141 E CB -0.827 29.016 29.700 0.238 0.000 0.755 141 E HN 0.480 nan 8.360 nan 0.000 0.449 142 T N -0.211 114.409 114.554 0.110 0.000 2.649 142 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 142 T C 1.797 176.521 174.700 0.040 0.000 1.036 142 T CA 2.131 64.286 62.100 0.092 0.000 1.157 142 T CB -0.688 68.219 68.868 0.065 0.000 0.861 142 T HN 0.307 nan 8.240 nan 0.000 0.445 143 T N 1.955 116.513 114.554 0.007 0.000 2.701 143 T HA 0.076 4.426 4.350 -0.000 0.000 0.263 143 T C 2.008 176.715 174.700 0.012 0.000 1.040 143 T CA 0.898 62.990 62.100 -0.013 0.000 1.147 143 T CB -0.456 68.379 68.868 -0.054 0.000 0.865 143 T HN 0.258 nan 8.240 nan 0.000 0.426 144 L N 0.864 122.111 121.223 0.040 0.000 2.079 144 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 144 L C 2.620 179.531 176.870 0.067 0.000 1.081 144 L CA 0.891 55.776 54.840 0.074 0.000 0.752 144 L CB -0.690 41.440 42.059 0.118 0.000 0.896 144 L HN 0.154 nan 8.230 nan 0.000 0.433 145 V N -1.488 118.463 119.914 0.061 0.000 2.379 145 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 145 V C 2.629 178.749 176.094 0.043 0.000 1.044 145 V CA 1.870 64.202 62.300 0.054 0.000 1.036 145 V CB -0.048 31.805 31.823 0.050 0.000 0.664 145 V HN 0.383 nan 8.190 nan 0.000 0.453 146 S N -0.676 115.045 115.700 0.034 0.000 2.370 146 S HA -0.219 4.251 4.470 -0.000 0.000 0.226 146 S C 2.077 176.696 174.600 0.031 0.000 1.033 146 S CA 1.587 59.802 58.200 0.025 0.000 1.011 146 S CB -0.171 63.036 63.200 0.012 0.000 0.852 146 S HN 0.558 nan 8.310 nan 0.000 0.457 147 K N 0.854 121.273 120.400 0.032 0.000 2.057 147 K HA 0.021 4.341 4.320 -0.000 0.000 0.206 147 K C 2.365 179.016 176.600 0.086 0.000 1.050 147 K CA 1.112 57.428 56.287 0.048 0.000 0.935 147 K CB -0.433 32.083 32.500 0.027 0.000 0.715 147 K HN 0.405 nan 8.250 nan 0.000 0.439 148 A N 1.657 124.523 122.820 0.076 0.000 1.972 148 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 148 A C 2.136 179.773 177.584 0.088 0.000 1.169 148 A CA 1.189 53.273 52.037 0.080 0.000 0.635 148 A CB -0.567 18.468 19.000 0.059 0.000 0.810 148 A HN 0.163 nan 8.150 nan 0.000 0.446 149 L N -0.402 120.861 121.223 0.066 0.000 2.217 149 L HA -0.057 4.283 4.340 -0.000 0.000 0.211 149 L C 0.906 177.815 176.870 0.065 0.000 1.107 149 L CA 0.511 55.385 54.840 0.057 0.000 0.783 149 L CB -0.325 41.755 42.059 0.035 0.000 0.919 149 L HN 0.318 nan 8.230 nan 0.000 0.442 150 N N -0.832 117.910 118.700 0.071 0.000 2.389 150 N HA -0.002 4.738 4.740 -0.000 0.000 0.237 150 N C -0.290 175.264 175.510 0.074 0.000 1.148 150 N CA 0.278 53.359 53.050 0.052 0.000 0.854 150 N CB -0.059 38.445 38.487 0.028 0.000 1.115 150 N HN 0.215 nan 8.380 nan 0.000 0.492 151 H N 0.381 119.464 119.070 0.021 0.000 2.646 151 H HA 0.250 4.806 4.556 -0.000 0.000 0.328 151 H C -1.779 173.566 175.328 0.029 0.000 0.998 151 H CA -1.675 54.389 56.048 0.027 0.000 1.225 151 H CB 2.328 32.113 29.762 0.039 0.000 1.457 151 H HN -0.114 nan 8.280 nan 0.000 0.505 152 P HA -0.149 nan 4.420 nan 0.000 0.216 152 P C 0.633 178.041 177.300 0.181 0.000 1.153 152 P CA 1.185 64.316 63.100 0.051 0.000 0.858 152 P CB 0.482 32.150 31.700 -0.054 0.000 0.789 153 N N -0.978 117.959 118.700 0.395 0.000 2.314 153 N HA 0.087 4.827 4.740 -0.000 0.000 0.200 153 N C 0.300 175.904 175.510 0.156 0.000 1.135 153 N CA 0.351 53.549 53.050 0.247 0.000 0.835 153 N CB 0.234 38.852 38.487 0.220 0.000 0.989 153 N HN 0.275 nan 8.380 nan 0.000 0.478 154 I N 1.294 121.962 120.570 0.162 0.000 2.378 154 I HA 0.252 4.422 4.170 -0.000 0.000 0.291 154 I C -0.125 176.038 176.117 0.076 0.000 0.992 154 I CA -0.675 60.665 61.300 0.067 0.000 1.154 154 I CB 1.393 39.406 38.000 0.022 0.000 1.315 154 I HN -0.318 nan 8.210 nan 0.000 0.448 155 R N 5.695 126.229 120.500 0.057 0.000 2.246 155 R HA 0.525 4.865 4.340 -0.000 0.000 0.332 155 R C -1.088 175.229 176.300 0.028 0.000 0.974 155 R CA -0.700 55.430 56.100 0.050 0.000 0.837 155 R CB 1.722 32.058 30.300 0.060 0.000 1.145 155 R HN 0.308 nan 8.270 nan 0.000 0.467 156 V N 5.658 125.586 119.914 0.023 0.000 2.383 156 V HA 0.256 4.376 4.120 -0.000 0.000 0.275 156 V C 0.172 176.260 176.094 -0.009 0.000 1.036 156 V CA -0.557 61.747 62.300 0.007 0.000 0.889 156 V CB 1.212 33.042 31.823 0.011 0.000 0.985 156 V HN 0.603 nan 8.190 nan 0.000 0.459 157 L N 5.230 126.434 121.223 -0.031 0.000 2.297 157 L HA 0.485 4.825 4.340 -0.000 0.000 0.277 157 L C 0.616 177.456 176.870 -0.051 0.000 1.040 157 L CA -0.294 54.514 54.840 -0.053 0.000 0.867 157 L CB 0.734 42.731 42.059 -0.102 0.000 1.244 157 L HN 0.645 nan 8.230 nan 0.000 0.433 158 E N 2.736 122.909 120.200 -0.044 0.000 2.451 158 E HA 0.116 4.466 4.350 -0.000 0.000 0.256 158 E C 0.018 176.579 176.600 -0.065 0.000 1.294 158 E CA -0.533 55.840 56.400 -0.045 0.000 1.005 158 E CB 0.325 30.000 29.700 -0.042 0.000 0.990 158 E HN 0.371 nan 8.360 nan 0.000 0.505 159 R N -0.051 120.412 120.500 -0.062 0.000 2.828 159 R HA -0.178 4.162 4.340 -0.000 0.000 0.233 159 R C -0.855 175.372 176.300 -0.121 0.000 0.821 159 R CA 0.459 56.507 56.100 -0.086 0.000 0.563 159 R CB -2.031 28.200 30.300 -0.115 0.000 1.117 159 R HN 0.290 nan 8.270 nan 0.000 0.508 160 T N 0.613 115.121 114.554 -0.077 0.000 3.011 160 T HA 0.209 4.559 4.350 -0.000 0.000 0.303 160 T C -0.756 173.939 174.700 -0.008 0.000 0.997 160 T CA -0.822 61.228 62.100 -0.082 0.000 1.007 160 T CB 1.663 70.476 68.868 -0.093 0.000 1.017 160 T HN 0.214 nan 8.240 nan 0.000 0.443 161 N N 2.168 120.904 118.700 0.060 0.000 2.424 161 N HA 0.596 5.336 4.740 -0.000 0.000 0.271 161 N C -0.325 175.247 175.510 0.102 0.000 0.985 161 N CA -0.487 52.638 53.050 0.126 0.000 0.921 161 N CB 1.513 40.169 38.487 0.280 0.000 1.149 161 N HN 0.788 nan 8.380 nan 0.000 0.492 162 A N 2.586 125.440 122.820 0.058 0.000 2.351 162 A HA 0.387 4.707 4.320 -0.000 0.000 0.257 162 A C 0.863 178.460 177.584 0.021 0.000 1.087 162 A CA -0.370 51.691 52.037 0.039 0.000 0.798 162 A CB 0.678 19.699 19.000 0.035 0.000 1.033 162 A HN 0.531 nan 8.150 nan 0.000 0.488 163 V N 0.569 120.476 119.914 -0.011 0.000 3.359 163 V HA 0.233 4.353 4.120 -0.000 0.000 0.245 163 V C -0.159 175.941 176.094 0.009 0.000 1.247 163 V CA 0.989 63.231 62.300 -0.097 0.000 1.145 163 V CB 0.168 31.756 31.823 -0.392 0.000 0.906 163 V HN 0.918 nan 8.190 nan 0.000 0.464 164 D N -1.381 119.093 120.400 0.123 0.000 2.766 164 D HA 0.340 4.980 4.640 -0.000 0.000 0.244 164 D C -1.183 175.262 176.300 0.242 0.000 1.198 164 D CA -0.413 53.727 54.000 0.233 0.000 0.739 164 D CB 1.674 42.702 40.800 0.380 0.000 1.379 164 D HN -0.056 nan 8.370 nan 0.000 0.437 165 L N 1.134 122.450 121.223 0.155 0.000 2.417 165 L HA 0.469 4.809 4.340 -0.000 0.000 0.268 165 L C 0.421 177.292 176.870 0.003 0.000 1.158 165 L CA -0.506 54.359 54.840 0.041 0.000 0.819 165 L CB 0.509 42.589 42.059 0.035 0.000 1.112 165 L HN 0.241 nan 8.230 nan 0.000 0.458 166 I N 2.856 123.288 120.570 -0.230 0.000 2.304 166 I HA 0.255 4.425 4.170 -0.000 0.000 0.291 166 I C -0.481 175.548 176.117 -0.146 0.000 1.018 166 I CA -0.529 60.559 61.300 -0.354 0.000 1.260 166 I CB 1.373 38.973 38.000 -0.667 0.000 1.390 166 I HN 0.217 nan 8.210 nan 0.000 0.475 167 V N 5.701 125.589 119.914 -0.042 0.000 2.384 167 V HA 0.095 4.215 4.120 -0.000 0.000 0.287 167 V C 1.121 177.204 176.094 -0.018 0.000 1.020 167 V CA -0.233 62.052 62.300 -0.024 0.000 0.850 167 V CB 1.632 33.458 31.823 0.005 0.000 0.987 167 V HN 1.004 nan 8.190 nan 0.000 0.436 168 S N 3.732 119.409 115.700 -0.039 0.000 2.389 168 S HA -0.296 4.174 4.470 -0.000 0.000 0.229 168 S C 1.428 176.021 174.600 -0.010 0.000 1.048 168 S CA 2.080 60.259 58.200 -0.034 0.000 1.117 168 S CB -0.567 62.598 63.200 -0.058 0.000 1.020 168 S HN 0.937 nan 8.310 nan 0.000 0.430 169 D N 1.052 121.444 120.400 -0.013 0.000 2.392 169 D HA -0.040 4.600 4.640 -0.000 0.000 0.228 169 D C 1.377 177.685 176.300 0.013 0.000 1.003 169 D CA 0.649 54.647 54.000 -0.004 0.000 0.917 169 D CB -0.306 40.486 40.800 -0.013 0.000 0.890 169 D HN 0.562 nan 8.370 nan 0.000 0.532 170 K N -0.015 120.404 120.400 0.031 0.000 2.352 170 K HA 0.186 4.506 4.320 -0.000 0.000 0.194 170 K C 1.238 177.888 176.600 0.083 0.000 1.038 170 K CA 0.170 56.492 56.287 0.059 0.000 1.023 170 K CB 0.547 33.103 32.500 0.093 0.000 0.840 170 K HN 0.307 nan 8.250 nan 0.000 0.519 171 I N -2.917 117.698 120.570 0.076 0.000 3.399 171 I HA 0.401 4.571 4.170 -0.000 0.000 0.345 171 I C 0.461 176.612 176.117 0.057 0.000 1.512 171 I CA -0.548 60.808 61.300 0.093 0.000 1.047 171 I CB 0.439 38.513 38.000 0.123 0.000 1.552 171 I HN 0.043 nan 8.210 nan 0.000 0.494 172 G N 1.825 110.647 108.800 0.038 0.000 2.269 172 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.277 172 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.277 172 G C 0.169 175.079 174.900 0.018 0.000 1.008 172 G CA 0.442 45.556 45.100 0.025 0.000 0.774 172 G HN 0.551 nan 8.290 nan 0.000 0.511 173 L N 1.297 122.528 121.223 0.013 0.000 2.439 173 L HA 0.451 4.791 4.340 -0.000 0.000 0.269 173 L C -1.129 175.737 176.870 -0.007 0.000 1.179 173 L CA -1.525 53.315 54.840 -0.000 0.000 0.828 173 L CB 0.921 42.970 42.059 -0.016 0.000 1.106 173 L HN 0.078 nan 8.230 nan 0.000 0.467 174 P HA 0.624 nan 4.420 nan 0.000 0.296 174 P C -0.582 176.708 177.300 -0.017 0.000 1.310 174 P CA -0.199 62.896 63.100 -0.007 0.000 0.900 174 P CB 2.163 33.864 31.700 0.001 0.000 1.111 175 G N 0.689 109.480 108.800 -0.014 0.000 2.331 175 G HA2 0.190 4.150 3.960 -0.000 0.000 0.402 175 G HA3 0.190 4.150 3.960 -0.000 0.000 0.402 175 G C -0.623 174.264 174.900 -0.021 0.000 1.275 175 G CA -0.237 44.852 45.100 -0.018 0.000 1.003 175 G HN 0.769 nan 8.290 nan 0.000 0.500 176 T N -1.537 113.004 114.554 -0.021 0.000 2.874 176 T HA 0.618 4.968 4.350 -0.000 0.000 0.281 176 T C 0.770 175.449 174.700 -0.035 0.000 0.994 176 T CA -0.006 62.081 62.100 -0.022 0.000 1.015 176 T CB 1.489 70.349 68.868 -0.014 0.000 1.028 176 T HN 0.859 nan 8.240 nan 0.000 0.523 177 R N 1.506 121.986 120.500 -0.033 0.000 2.502 177 R HA 0.136 4.476 4.340 -0.000 0.000 0.292 177 R C 0.136 176.410 176.300 -0.044 0.000 0.998 177 R CA -0.020 56.057 56.100 -0.038 0.000 1.056 177 R CB 0.152 30.429 30.300 -0.038 0.000 0.939 177 R HN 0.921 nan 8.270 nan 0.000 0.411 178 R N 1.679 122.148 120.500 -0.052 0.000 2.594 178 R HA 0.264 4.604 4.340 -0.000 0.000 0.265 178 R C -1.700 174.567 176.300 -0.055 0.000 1.070 178 R CA -0.982 55.085 56.100 -0.055 0.000 0.909 178 R CB 1.139 31.393 30.300 -0.077 0.000 1.243 178 R HN 0.261 nan 8.270 nan 0.000 0.455 179 V N 2.882 122.772 119.914 -0.039 0.000 2.583 179 V HA 0.138 4.258 4.120 -0.000 0.000 0.287 179 V C 0.916 176.982 176.094 -0.046 0.000 1.051 179 V CA 0.152 62.428 62.300 -0.041 0.000 1.010 179 V CB 1.560 33.371 31.823 -0.020 0.000 0.988 179 V HN 0.694 nan 8.190 nan 0.000 0.478 180 V N 2.184 122.054 119.914 -0.074 0.000 3.159 180 V HA 0.867 4.987 4.120 -0.000 0.000 0.333 180 V C 0.355 176.401 176.094 -0.080 0.000 1.424 180 V CA 0.650 62.915 62.300 -0.059 0.000 1.125 180 V CB -0.109 31.680 31.823 -0.057 0.000 1.075 180 V HN 1.218 nan 8.190 nan 0.000 0.482 181 G N -0.634 108.090 108.800 -0.127 0.000 2.356 181 G HA2 0.669 4.629 3.960 -0.000 0.000 0.288 181 G HA3 0.669 4.629 3.960 -0.000 0.000 0.288 181 G C -1.057 173.694 174.900 -0.250 0.000 1.302 181 G CA 0.179 45.176 45.100 -0.172 0.000 0.887 181 G HN 1.568 nan 8.290 nan 0.000 0.521 182 A N -1.271 121.382 122.820 -0.279 0.000 2.594 182 A HA 0.721 5.041 4.320 -0.000 0.000 0.295 182 A C -1.641 175.811 177.584 -0.219 0.000 1.071 182 A CA -0.516 51.370 52.037 -0.251 0.000 0.685 182 A CB 1.198 20.154 19.000 -0.073 0.000 1.285 182 A HN 1.017 nan 8.150 nan 0.000 0.405 183 W N 1.585 122.872 121.300 -0.022 0.000 2.351 183 W HA 0.533 5.193 4.660 0.000 0.000 0.311 183 W C -0.892 175.552 176.519 -0.125 0.000 1.168 183 W CA -0.395 56.916 57.345 -0.057 0.000 1.200 183 W CB 1.715 31.137 29.460 -0.063 0.000 1.221 183 W HN 0.424 nan 8.180 nan 0.000 0.519 184 V N 4.236 124.229 119.914 0.132 0.000 2.407 184 V HA 0.084 4.204 4.120 -0.000 0.000 0.291 184 V C -0.482 175.662 176.094 0.082 0.000 1.018 184 V CA -1.052 61.283 62.300 0.058 0.000 0.842 184 V CB 1.262 33.091 31.823 0.010 0.000 0.996 184 V HN 0.445 nan 8.190 nan 0.000 0.426 185 W N 6.115 127.333 121.300 -0.137 0.000 2.712 185 W HA 0.064 4.724 4.660 -0.000 0.000 0.345 185 W C 0.812 177.292 176.519 -0.064 0.000 1.424 185 W CA -0.279 56.996 57.345 -0.117 0.000 1.375 185 W CB 0.010 29.395 29.460 -0.124 0.000 1.483 185 W HN 0.662 nan 8.180 nan 0.000 0.561 186 N N 5.864 124.418 118.700 -0.243 0.000 2.400 186 N HA -0.007 4.733 4.740 -0.000 0.000 0.267 186 N C 1.370 176.431 175.510 -0.748 0.000 1.208 186 N CA 0.332 53.171 53.050 -0.352 0.000 0.951 186 N CB 0.307 38.684 38.487 -0.183 0.000 1.227 186 N HN 0.556 nan 8.380 nan 0.000 0.488 187 R N 2.864 122.862 120.500 -0.837 0.000 2.083 187 R HA -0.122 4.218 4.340 -0.000 0.000 0.237 187 R C 0.872 176.792 176.300 -0.634 0.000 1.137 187 R CA 1.301 56.713 56.100 -1.147 0.000 0.951 187 R CB -0.124 29.734 30.300 -0.738 0.000 0.851 187 R HN 0.553 nan 8.270 nan 0.000 0.434 188 N N 0.702 119.180 118.700 -0.369 0.000 2.364 188 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 188 N C 0.722 176.128 175.510 -0.173 0.000 1.022 188 N CA 1.235 54.154 53.050 -0.219 0.000 0.883 188 N CB 0.085 38.485 38.487 -0.146 0.000 0.965 188 N HN 0.263 nan 8.380 nan 0.000 0.438 189 K N 0.208 120.490 120.400 -0.196 0.000 2.469 189 K HA 0.165 4.485 4.320 -0.000 0.000 0.204 189 K C -0.542 176.000 176.600 -0.097 0.000 1.047 189 K CA -0.117 56.104 56.287 -0.110 0.000 1.072 189 K CB 0.799 33.259 32.500 -0.067 0.000 0.863 189 K HN 0.043 nan 8.250 nan 0.000 0.530 190 E N 1.373 121.456 120.200 -0.195 0.000 2.325 190 E HA -0.203 4.147 4.350 -0.000 0.000 0.232 190 E C -0.778 175.896 176.600 0.123 0.000 1.276 190 E CA 0.862 57.237 56.400 -0.041 0.000 0.717 190 E CB -1.405 28.364 29.700 0.116 0.000 1.192 190 E HN 0.337 nan 8.360 nan 0.000 0.380 191 T N -1.936 112.647 114.554 0.049 0.000 2.924 191 T HA 0.538 4.888 4.350 -0.000 0.000 0.291 191 T C 0.091 174.902 174.700 0.185 0.000 1.045 191 T CA -0.919 61.273 62.100 0.153 0.000 1.015 191 T CB 2.162 71.094 68.868 0.108 0.000 1.103 191 T HN -0.045 nan 8.240 nan 0.000 0.496 192 V N 2.255 122.297 119.914 0.213 0.000 2.353 192 V HA 0.268 4.388 4.120 -0.000 0.000 0.264 192 V C 0.369 176.573 176.094 0.184 0.000 1.049 192 V CA -0.509 61.873 62.300 0.137 0.000 0.896 192 V CB 0.028 31.790 31.823 -0.103 0.000 1.025 192 V HN 0.812 nan 8.190 nan 0.000 0.475 193 E N 2.344 122.643 120.200 0.165 0.000 2.318 193 E HA 0.417 4.767 4.350 -0.000 0.000 0.265 193 E C -0.213 176.539 176.600 0.252 0.000 1.069 193 E CA -0.476 56.049 56.400 0.208 0.000 0.893 193 E CB 1.118 30.940 29.700 0.203 0.000 1.076 193 E HN 0.592 nan 8.360 nan 0.000 0.414 194 T N 1.087 115.780 114.554 0.233 0.000 2.799 194 T HA 0.262 4.612 4.350 -0.000 0.000 0.286 194 T C -0.972 173.688 174.700 -0.066 0.000 0.973 194 T CA -0.397 61.763 62.100 0.099 0.000 1.035 194 T CB 0.500 69.418 68.868 0.083 0.000 0.932 194 T HN 0.434 nan 8.240 nan 0.000 0.469 195 C N 6.595 125.770 119.300 -0.208 0.000 2.364 195 C HA 0.497 4.957 4.460 -0.000 0.000 0.324 195 C C -0.252 174.580 174.990 -0.262 0.000 1.234 195 C CA -0.734 58.200 59.018 -0.140 0.000 1.417 195 C CB -0.629 27.081 27.740 -0.049 0.000 2.101 195 C HN 0.934 nan 8.230 nan 0.000 0.466 196 H N 3.692 122.774 119.070 0.020 0.000 2.472 196 H HA 0.776 5.332 4.556 -0.000 0.000 0.335 196 H C 0.171 175.502 175.328 0.005 0.000 1.136 196 H CA -0.077 55.965 56.048 -0.009 0.000 1.264 196 H CB 1.858 31.624 29.762 0.007 0.000 1.486 196 H HN 0.940 nan 8.280 nan 0.000 0.517 197 A N 1.319 124.209 122.820 0.118 0.000 2.566 197 A HA 0.288 4.608 4.320 -0.000 0.000 0.290 197 A C -0.080 177.548 177.584 0.073 0.000 1.071 197 A CA -0.820 51.270 52.037 0.089 0.000 0.658 197 A CB 1.243 20.279 19.000 0.060 0.000 1.285 197 A HN 0.665 nan 8.150 nan 0.000 0.427 198 K N -0.256 120.191 120.400 0.077 0.000 2.379 198 K HA 0.491 4.811 4.320 -0.000 0.000 0.194 198 K C 0.298 176.955 176.600 0.094 0.000 1.031 198 K CA 1.213 57.554 56.287 0.090 0.000 1.037 198 K CB 0.712 33.269 32.500 0.095 0.000 0.824 198 K HN 0.959 nan 8.250 nan 0.000 0.516 199 A N 0.669 123.537 122.820 0.079 0.000 2.513 199 A HA 0.501 4.821 4.320 -0.000 0.000 0.296 199 A C -1.314 176.317 177.584 0.079 0.000 1.052 199 A CA -0.679 51.421 52.037 0.104 0.000 0.714 199 A CB 1.452 20.505 19.000 0.089 0.000 1.279 199 A HN -0.088 nan 8.150 nan 0.000 0.397 200 V N 2.147 122.126 119.914 0.107 0.000 2.555 200 V HA 0.606 4.726 4.120 -0.000 0.000 0.302 200 V C -0.418 175.755 176.094 0.132 0.000 1.038 200 V CA -0.595 61.753 62.300 0.080 0.000 0.887 200 V CB 1.792 33.643 31.823 0.047 0.000 0.991 200 V HN 0.712 nan 8.190 nan 0.000 0.434 201 V N 5.974 125.941 119.914 0.089 0.000 2.378 201 V HA 0.429 4.549 4.120 -0.000 0.000 0.288 201 V C -0.154 175.989 176.094 0.081 0.000 1.016 201 V CA -0.510 61.855 62.300 0.109 0.000 0.840 201 V CB 1.602 33.446 31.823 0.034 0.000 0.994 201 V HN 0.643 nan 8.190 nan 0.000 0.431 202 L N 4.335 125.614 121.223 0.094 0.000 2.319 202 L HA 0.630 4.970 4.340 -0.000 0.000 0.280 202 L C 0.655 177.567 176.870 0.069 0.000 1.099 202 L CA 0.079 54.962 54.840 0.072 0.000 0.828 202 L CB 1.170 43.271 42.059 0.071 0.000 1.150 202 L HN 0.790 nan 8.230 nan 0.000 0.442 203 A N 1.050 123.905 122.820 0.059 0.000 3.292 203 A HA 0.252 4.572 4.320 -0.000 0.000 0.231 203 A C 0.768 178.387 177.584 0.058 0.000 0.952 203 A CA -0.218 51.856 52.037 0.062 0.000 1.044 203 A CB -0.100 18.937 19.000 0.061 0.000 1.236 203 A HN 0.741 nan 8.150 nan 0.000 0.525 204 T N -2.953 111.632 114.554 0.052 0.000 3.100 204 T HA 0.460 4.810 4.350 -0.000 0.000 0.253 204 T C 1.272 176.001 174.700 0.047 0.000 1.118 204 T CA 0.986 63.116 62.100 0.050 0.000 1.058 204 T CB -0.015 68.880 68.868 0.045 0.000 0.953 204 T HN 2.121 nan 8.240 nan 0.000 0.515 205 G N 0.015 108.840 108.800 0.041 0.000 2.548 205 G HA2 0.293 4.253 3.960 -0.000 0.000 0.208 205 G HA3 0.293 4.253 3.960 -0.000 0.000 0.208 205 G C -0.027 174.864 174.900 -0.015 0.000 1.308 205 G CA -0.479 44.639 45.100 0.029 0.000 0.924 205 G HN 0.872 nan 8.290 nan 0.000 0.540 206 G N -1.997 106.778 108.800 -0.043 0.000 2.828 206 G HA2 0.781 4.741 3.960 -0.000 0.000 0.244 206 G HA3 0.781 4.741 3.960 -0.000 0.000 0.244 206 G C 0.519 175.393 174.900 -0.044 0.000 1.365 206 G CA 0.762 45.808 45.100 -0.090 0.000 1.041 206 G HN 2.071 nan 8.290 nan 0.000 0.560 207 A N -0.810 121.980 122.820 -0.051 0.000 2.616 207 A HA 0.525 4.845 4.320 -0.000 0.000 0.294 207 A C 1.569 179.160 177.584 0.012 0.000 1.091 207 A CA 0.482 52.505 52.037 -0.022 0.000 0.971 207 A CB 0.200 19.176 19.000 -0.041 0.000 1.222 207 A HN 0.388 nan 8.150 nan 0.000 0.521 208 S N 0.263 115.981 115.700 0.031 0.000 2.442 208 S HA -0.118 4.352 4.470 -0.000 0.000 0.236 208 S C 1.906 176.596 174.600 0.150 0.000 1.007 208 S CA 1.574 59.842 58.200 0.113 0.000 0.965 208 S CB -0.093 63.153 63.200 0.077 0.000 0.773 208 S HN 0.566 nan 8.310 nan 0.000 0.504 209 K N 1.969 122.404 120.400 0.058 0.000 2.555 209 K HA 0.014 4.334 4.320 -0.000 0.000 0.193 209 K C 1.382 177.912 176.600 -0.117 0.000 1.032 209 K CA 0.396 56.686 56.287 0.005 0.000 1.004 209 K CB -0.414 32.102 32.500 0.026 0.000 0.804 209 K HN 0.357 nan 8.250 nan 0.000 0.496 210 V N -1.582 118.255 119.914 -0.128 0.000 3.305 210 V HA 0.022 4.142 4.120 -0.000 0.000 0.269 210 V C 0.319 176.175 176.094 -0.397 0.000 1.157 210 V CA 0.295 62.404 62.300 -0.319 0.000 1.157 210 V CB -1.331 30.253 31.823 -0.398 0.000 0.772 210 V HN -0.002 nan 8.190 nan 0.000 0.498 211 Y N 0.177 120.423 120.300 -0.090 0.000 2.361 211 Y HA 0.397 4.947 4.550 0.000 0.000 0.332 211 Y C 1.608 177.418 175.900 -0.151 0.000 1.101 211 Y CA -0.435 57.684 58.100 0.031 0.000 1.137 211 Y CB 1.521 40.179 38.460 0.330 0.000 1.207 211 Y HN -0.111 nan 8.280 nan 0.000 0.463 212 Q N 1.428 121.150 119.800 -0.131 0.000 2.112 212 Q HA -0.182 4.157 4.340 -0.000 0.000 0.206 212 Q C -0.767 174.797 176.000 -0.726 0.000 0.987 212 Q CA 1.595 57.047 55.803 -0.586 0.000 0.858 212 Q CB 0.069 28.258 28.738 -0.915 0.000 0.905 212 Q HN 0.640 nan 8.270 nan 0.000 0.420 213 Y N -0.750 119.361 120.300 -0.315 0.000 2.335 213 Y HA 0.477 5.027 4.550 -0.000 0.000 0.338 213 Y C 0.015 175.914 175.900 -0.002 0.000 0.977 213 Y CA -0.602 57.338 58.100 -0.267 0.000 1.114 213 Y CB 2.055 40.169 38.460 -0.578 0.000 1.182 213 Y HN -0.222 nan 8.280 nan 0.000 0.463 214 T N -0.789 113.875 114.554 0.184 0.000 2.853 214 T HA 0.269 4.619 4.350 -0.000 0.000 0.311 214 T C 0.614 175.397 174.700 0.137 0.000 1.307 214 T CA -0.145 62.067 62.100 0.186 0.000 1.019 214 T CB 1.124 70.084 68.868 0.154 0.000 1.264 214 T HN 0.679 nan 8.240 nan 0.000 0.497 215 T N 0.269 114.912 114.554 0.148 0.000 3.113 215 T HA 0.237 4.587 4.350 -0.000 0.000 0.256 215 T C 0.695 175.432 174.700 0.061 0.000 1.131 215 T CA 0.109 62.261 62.100 0.086 0.000 1.074 215 T CB -0.503 68.453 68.868 0.146 0.000 0.944 215 T HN 0.526 nan 8.240 nan 0.000 0.516 216 N N 2.375 121.121 118.700 0.076 0.000 2.463 216 N HA 0.334 5.074 4.740 -0.000 0.000 0.270 216 N C -2.737 172.770 175.510 -0.005 0.000 1.205 216 N CA -1.723 51.355 53.050 0.047 0.000 0.974 216 N CB 1.090 39.616 38.487 0.065 0.000 1.197 216 N HN 0.120 nan 8.380 nan 0.000 0.504 217 P HA 0.099 nan 4.420 nan 0.000 0.274 217 P C -0.359 176.967 177.300 0.045 0.000 1.260 217 P CA -0.148 62.926 63.100 -0.044 0.000 0.793 217 P CB 0.504 32.223 31.700 0.032 0.000 1.048 218 D N -0.408 120.028 120.400 0.061 0.000 2.352 218 D HA 0.030 4.670 4.640 -0.000 0.000 0.232 218 D C 1.335 177.700 176.300 0.109 0.000 1.055 218 D CA 0.623 54.686 54.000 0.105 0.000 0.891 218 D CB -0.417 40.437 40.800 0.090 0.000 0.897 218 D HN 0.285 nan 8.370 nan 0.000 0.529 219 I N -0.196 120.430 120.570 0.093 0.000 3.228 219 I HA -0.066 4.104 4.170 -0.000 0.000 0.279 219 I C 0.775 176.942 176.117 0.084 0.000 1.221 219 I CA 0.289 61.642 61.300 0.088 0.000 1.458 219 I CB 0.315 38.369 38.000 0.090 0.000 1.105 219 I HN -0.261 nan 8.210 nan 0.000 0.445 220 S N 1.317 117.065 115.700 0.081 0.000 4.117 220 S HA 0.002 4.472 4.470 -0.000 0.000 0.191 220 S C 1.311 175.942 174.600 0.053 0.000 1.308 220 S CA 0.104 58.339 58.200 0.060 0.000 0.906 220 S CB -0.492 62.739 63.200 0.051 0.000 1.565 220 S HN 0.435 nan 8.310 nan 0.000 0.439 221 S N 0.453 116.188 115.700 0.059 0.000 2.577 221 S HA 0.354 4.824 4.470 -0.000 0.000 0.219 221 S C 1.341 175.954 174.600 0.021 0.000 0.962 221 S CA -0.028 58.202 58.200 0.051 0.000 0.921 221 S CB 0.031 63.284 63.200 0.088 0.000 0.789 221 S HN 0.845 nan 8.310 nan 0.000 0.497 222 G N 2.090 110.898 108.800 0.014 0.000 2.221 222 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.265 222 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.265 222 G C 0.303 175.213 174.900 0.016 0.000 1.041 222 G CA 0.358 45.459 45.100 0.002 0.000 0.807 222 G HN 0.514 nan 8.290 nan 0.000 0.502 223 D N 0.185 120.604 120.400 0.031 0.000 2.144 223 D HA -0.071 4.569 4.640 -0.000 0.000 0.199 223 D C 2.460 178.789 176.300 0.049 0.000 0.984 223 D CA 1.575 55.600 54.000 0.041 0.000 0.834 223 D CB -0.731 40.097 40.800 0.046 0.000 0.955 223 D HN 0.564 nan 8.370 nan 0.000 0.465 224 G N 1.297 110.124 108.800 0.045 0.000 2.446 224 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 224 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 224 G C 1.772 176.711 174.900 0.064 0.000 1.168 224 G CA 0.457 45.590 45.100 0.054 0.000 0.771 224 G HN 0.267 nan 8.290 nan 0.000 0.551 225 I N 1.333 121.933 120.570 0.050 0.000 2.179 225 I HA -0.178 3.992 4.170 -0.000 0.000 0.242 225 I C 3.343 179.514 176.117 0.090 0.000 1.088 225 I CA 1.066 62.400 61.300 0.056 0.000 1.357 225 I CB -0.528 37.476 38.000 0.007 0.000 1.051 225 I HN 0.265 nan 8.210 nan 0.000 0.409 226 A N 1.053 123.912 122.820 0.064 0.000 1.883 226 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 226 A C 2.402 180.090 177.584 0.174 0.000 1.186 226 A CA 1.738 53.833 52.037 0.097 0.000 0.624 226 A CB -0.652 18.385 19.000 0.062 0.000 0.822 226 A HN 0.312 nan 8.150 nan 0.000 0.444 227 M N -0.616 119.062 119.600 0.130 0.000 2.082 227 M HA -0.240 4.240 4.480 -0.000 0.000 0.258 227 M C 2.608 178.996 176.300 0.148 0.000 1.071 227 M CA 1.784 57.163 55.300 0.133 0.000 1.103 227 M CB -0.595 32.066 32.600 0.101 0.000 1.307 227 M HN 0.503 nan 8.290 nan 0.000 0.409 228 A N 0.062 122.966 122.820 0.140 0.000 1.892 228 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 228 A C 2.030 179.729 177.584 0.191 0.000 1.188 228 A CA 1.697 53.816 52.037 0.137 0.000 0.631 228 A CB -1.511 17.567 19.000 0.129 0.000 0.822 228 A HN 0.853 nan 8.150 nan 0.000 0.447 229 W N 0.585 121.897 121.300 0.019 0.000 2.335 229 W HA -0.212 4.448 4.660 -0.000 0.000 0.311 229 W C 2.258 178.791 176.519 0.022 0.000 1.213 229 W CA 1.815 59.168 57.345 0.014 0.000 1.274 229 W CB -0.290 29.177 29.460 0.011 0.000 1.148 229 W HN 0.311 nan 8.180 nan 0.000 0.498 230 R N 0.189 120.841 120.500 0.253 0.000 2.159 230 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 230 R C 2.171 178.467 176.300 -0.007 0.000 1.131 230 R CA 1.469 57.629 56.100 0.099 0.000 0.982 230 R CB -0.534 29.873 30.300 0.178 0.000 0.868 230 R HN 0.138 nan 8.270 nan 0.000 0.453 231 A N -0.770 122.058 122.820 0.014 0.000 2.275 231 A HA 0.281 4.601 4.320 -0.000 0.000 0.212 231 A C 1.251 178.792 177.584 -0.073 0.000 1.201 231 A CA 0.699 52.731 52.037 -0.008 0.000 0.843 231 A CB 0.309 19.324 19.000 0.025 0.000 0.873 231 A HN 0.425 nan 8.150 nan 0.000 0.492 232 G N -2.046 106.655 108.800 -0.166 0.000 2.184 232 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.206 232 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.206 232 G C 0.209 175.002 174.900 -0.178 0.000 0.995 232 G CA -0.159 44.810 45.100 -0.218 0.000 0.651 232 G HN 0.519 nan 8.290 nan 0.000 0.511 233 C N 2.098 121.349 119.300 -0.081 0.000 2.637 233 C HA 0.530 4.990 4.460 -0.000 0.000 0.418 233 C C 1.523 176.539 174.990 0.043 0.000 1.319 233 C CA -0.404 58.612 59.018 -0.002 0.000 1.949 233 C CB -0.095 27.686 27.740 0.068 0.000 2.639 233 C HN 0.530 nan 8.230 nan 0.000 0.594 234 R N 1.172 121.701 120.500 0.047 0.000 2.734 234 R HA 0.453 4.793 4.340 -0.000 0.000 0.266 234 R C -0.045 176.363 176.300 0.179 0.000 1.044 234 R CA 0.087 56.256 56.100 0.115 0.000 1.128 234 R CB 0.499 30.836 30.300 0.061 0.000 1.010 234 R HN 0.741 nan 8.270 nan 0.000 0.461 235 V N -1.860 118.174 119.914 0.200 0.000 3.160 235 V HA 0.976 5.096 4.120 -0.000 0.000 0.310 235 V C -0.971 175.104 176.094 -0.032 0.000 1.181 235 V CA -1.025 61.333 62.300 0.096 0.000 1.047 235 V CB 1.957 33.823 31.823 0.073 0.000 1.068 235 V HN 0.896 nan 8.190 nan 0.000 0.441 236 A N 0.405 123.140 122.820 -0.142 0.000 2.594 236 A HA 0.805 5.125 4.320 -0.000 0.000 0.295 236 A C -0.128 177.274 177.584 -0.303 0.000 1.071 236 A CA -0.190 51.656 52.037 -0.319 0.000 0.685 236 A CB 1.279 19.884 19.000 -0.658 0.000 1.285 236 A HN 1.667 nan 8.150 nan 0.000 0.405 237 N N -0.850 117.709 118.700 -0.235 0.000 2.747 237 N HA -0.135 4.605 4.740 -0.000 0.000 0.249 237 N C 0.149 175.623 175.510 -0.060 0.000 1.107 237 N CA 1.150 54.174 53.050 -0.043 0.000 0.707 237 N CB -1.445 37.151 38.487 0.183 0.000 1.054 237 N HN 0.626 nan 8.380 nan 0.000 0.555 238 L N 0.462 121.592 121.223 -0.156 0.000 2.660 238 L HA -0.001 4.339 4.340 -0.000 0.000 0.238 238 L C 1.914 178.689 176.870 -0.158 0.000 1.161 238 L CA 0.391 55.162 54.840 -0.115 0.000 0.937 238 L CB -0.052 41.934 42.059 -0.123 0.000 1.122 238 L HN 0.253 nan 8.230 nan 0.000 0.435 239 E N -0.547 119.443 120.200 -0.349 0.000 2.474 239 E HA -0.039 4.311 4.350 -0.000 0.000 0.195 239 E C 0.036 176.490 176.600 -0.243 0.000 1.039 239 E CA -0.049 56.128 56.400 -0.372 0.000 0.881 239 E CB 0.148 29.420 29.700 -0.713 0.000 0.970 239 E HN 0.253 nan 8.360 nan 0.000 0.486 240 F N 2.389 122.356 119.950 0.029 0.000 2.509 240 F HA 0.361 4.888 4.527 0.000 0.000 0.344 240 F C -0.393 175.431 175.800 0.041 0.000 1.197 240 F CA -0.931 57.110 58.000 0.069 0.000 1.294 240 F CB -0.149 38.900 39.000 0.081 0.000 1.643 240 F HN -0.177 nan 8.300 nan 0.000 0.596 241 N N 1.366 120.146 118.700 0.132 0.000 2.408 241 N HA 0.260 5.000 4.740 -0.000 0.000 0.280 241 N C -0.722 174.616 175.510 -0.288 0.000 1.002 241 N CA -0.734 52.276 53.050 -0.067 0.000 0.907 241 N CB 1.292 39.706 38.487 -0.121 0.000 1.161 241 N HN 0.422 nan 8.380 nan 0.000 0.488 242 Q N 2.487 122.177 119.800 -0.183 0.000 2.274 242 Q HA 0.306 4.646 4.340 -0.000 0.000 0.256 242 Q C -1.288 174.549 176.000 -0.271 0.000 0.927 242 Q CA -0.447 55.282 55.803 -0.124 0.000 0.939 242 Q CB 0.526 29.317 28.738 0.088 0.000 1.201 242 Q HN 0.476 nan 8.270 nan 0.000 0.426 243 F N 3.512 123.506 119.950 0.073 0.000 2.350 243 F HA 0.193 4.720 4.527 -0.000 0.000 0.365 243 F C 0.650 176.511 175.800 0.101 0.000 1.122 243 F CA -0.727 57.329 58.000 0.093 0.000 1.139 243 F CB 0.538 39.550 39.000 0.019 0.000 1.220 243 F HN 0.537 nan 8.300 nan 0.000 0.499 244 H N 6.125 125.296 119.070 0.168 0.000 3.001 244 H HA 0.016 4.572 4.556 -0.000 0.000 0.334 244 H C -1.592 173.759 175.328 0.039 0.000 1.034 244 H CA -0.924 55.119 56.048 -0.008 0.000 1.420 244 H CB 1.676 31.291 29.762 -0.244 0.000 1.405 244 H HN 0.329 nan 8.280 nan 0.000 0.593 245 P HA -0.032 nan 4.420 nan 0.000 0.230 245 P C 0.260 177.654 177.300 0.156 0.000 1.168 245 P CA 0.647 63.806 63.100 0.098 0.000 0.793 245 P CB 0.301 32.009 31.700 0.013 0.000 0.851 246 T N -2.101 112.631 114.554 0.296 0.000 3.253 246 T HA 0.750 5.100 4.350 -0.000 0.000 0.391 246 T C -0.182 174.528 174.700 0.016 0.000 1.527 246 T CA -0.782 61.398 62.100 0.133 0.000 1.268 246 T CB 0.243 69.172 68.868 0.101 0.000 1.126 246 T HN 0.066 nan 8.240 nan 0.000 0.620 247 A N 3.464 126.291 122.820 0.012 0.000 2.330 247 A HA 0.825 5.145 4.320 -0.000 0.000 0.329 247 A C -0.255 177.351 177.584 0.036 0.000 1.135 247 A CA -1.015 51.005 52.037 -0.028 0.000 0.817 247 A CB 1.011 20.006 19.000 -0.008 0.000 1.269 247 A HN 0.820 nan 8.150 nan 0.000 0.469 248 L N 0.835 122.106 121.223 0.080 0.000 2.380 248 L HA 0.341 4.681 4.340 -0.000 0.000 0.273 248 L C -0.704 176.261 176.870 0.158 0.000 1.138 248 L CA 0.247 55.165 54.840 0.130 0.000 0.832 248 L CB 0.333 42.504 42.059 0.187 0.000 1.124 248 L HN 0.584 nan 8.230 nan 0.000 0.454 249 Y N 5.366 125.665 120.300 -0.003 0.000 2.854 249 Y HA 0.426 4.976 4.550 -0.000 0.000 0.330 249 Y C -1.116 174.810 175.900 0.044 0.000 1.037 249 Y CA -0.439 57.641 58.100 -0.033 0.000 1.263 249 Y CB -0.124 38.261 38.460 -0.125 0.000 1.120 249 Y HN 0.824 nan 8.280 nan 0.000 0.532 250 H N 5.390 124.312 119.070 -0.246 0.000 2.947 250 H HA 0.356 4.912 4.556 -0.000 0.000 0.354 250 H C -2.281 172.901 175.328 -0.243 0.000 1.085 250 H CA -2.370 53.533 56.048 -0.242 0.000 1.253 250 H CB 2.477 32.182 29.762 -0.095 0.000 1.757 250 H HN 0.259 nan 8.280 nan 0.000 0.523 251 P HA -0.137 nan 4.420 nan 0.000 0.222 251 P C 0.264 177.629 177.300 0.108 0.000 1.142 251 P CA 1.291 64.330 63.100 -0.101 0.000 0.788 251 P CB 0.253 31.840 31.700 -0.188 0.000 0.767 252 Q N -1.836 118.223 119.800 0.431 0.000 2.194 252 Q HA 0.330 4.670 4.340 -0.000 0.000 0.214 252 Q C 0.402 176.388 176.000 -0.024 0.000 0.838 252 Q CA -0.289 55.597 55.803 0.139 0.000 0.972 252 Q CB 0.585 29.383 28.738 0.100 0.000 1.131 252 Q HN 0.045 nan 8.270 nan 0.000 0.498 253 A N 0.969 123.792 122.820 0.004 0.000 3.016 253 A HA 0.267 4.587 4.320 -0.000 0.000 0.303 253 A C 0.544 178.160 177.584 0.053 0.000 1.507 253 A CA -0.445 51.582 52.037 -0.017 0.000 1.196 253 A CB -0.036 18.985 19.000 0.035 0.000 1.169 253 A HN 0.278 nan 8.150 nan 0.000 0.544 254 R N 1.271 121.794 120.500 0.038 0.000 2.196 254 R HA -0.208 4.132 4.340 -0.000 0.000 0.244 254 R C -0.186 176.165 176.300 0.084 0.000 1.121 254 R CA 2.163 58.297 56.100 0.056 0.000 0.930 254 R CB -0.270 30.056 30.300 0.043 0.000 0.890 254 R HN 0.741 nan 8.270 nan 0.000 0.435 255 N N -1.080 117.686 118.700 0.111 0.000 2.549 255 N HA 0.222 4.962 4.740 -0.000 0.000 0.290 255 N C -1.755 173.866 175.510 0.185 0.000 1.122 255 N CA -0.375 52.745 53.050 0.117 0.000 0.885 255 N CB 1.597 40.130 38.487 0.077 0.000 1.455 255 N HN -0.002 nan 8.380 nan 0.000 0.521 256 F N 1.569 121.507 119.950 -0.020 0.000 2.557 256 F HA 0.484 5.011 4.527 -0.000 0.000 0.316 256 F C -1.133 174.630 175.800 -0.063 0.000 1.141 256 F CA -0.959 57.019 58.000 -0.037 0.000 0.922 256 F CB 1.478 40.456 39.000 -0.036 0.000 1.194 256 F HN 0.379 nan 8.300 nan 0.000 0.443 257 L N 6.306 127.051 121.223 -0.797 0.000 2.325 257 L HA 0.679 5.019 4.340 -0.000 0.000 0.279 257 L C -1.588 174.929 176.870 -0.588 0.000 1.054 257 L CA -0.281 54.176 54.840 -0.639 0.000 0.804 257 L CB 1.183 42.825 42.059 -0.695 0.000 1.200 257 L HN 0.557 nan 8.230 nan 0.000 0.436 258 L N 4.660 125.697 121.223 -0.310 0.000 2.316 258 L HA 0.374 4.714 4.340 -0.000 0.000 0.280 258 L C 0.482 177.257 176.870 -0.158 0.000 1.006 258 L CA -0.557 54.187 54.840 -0.160 0.000 0.836 258 L CB 1.385 43.412 42.059 -0.053 0.000 1.221 258 L HN 0.645 nan 8.230 nan 0.000 0.418 259 T N 0.682 115.150 114.554 -0.143 0.000 2.906 259 T HA -0.111 4.239 4.350 -0.000 0.000 0.329 259 T C 1.213 175.916 174.700 0.005 0.000 1.091 259 T CA 0.456 62.526 62.100 -0.050 0.000 1.127 259 T CB 0.550 69.413 68.868 -0.007 0.000 1.035 259 T HN 0.786 nan 8.240 nan 0.000 0.547 260 E N 1.581 121.826 120.200 0.075 0.000 2.347 260 E HA -0.027 4.323 4.350 -0.000 0.000 0.196 260 E C 2.151 178.752 176.600 0.001 0.000 1.008 260 E CA 0.643 57.062 56.400 0.031 0.000 0.852 260 E CB -0.202 29.490 29.700 -0.013 0.000 0.783 260 E HN 0.740 nan 8.360 nan 0.000 0.505 261 A N 0.523 123.349 122.820 0.011 0.000 2.070 261 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 261 A C 1.989 179.621 177.584 0.079 0.000 1.159 261 A CA 0.758 52.828 52.037 0.054 0.000 0.656 261 A CB -0.407 18.664 19.000 0.118 0.000 0.800 261 A HN 0.228 nan 8.150 nan 0.000 0.453 262 L N -0.959 120.183 121.223 -0.136 0.000 2.012 262 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 262 L C 2.781 179.644 176.870 -0.012 0.000 1.073 262 L CA 1.764 56.459 54.840 -0.242 0.000 0.748 262 L CB -0.390 41.459 42.059 -0.350 0.000 0.891 262 L HN 0.335 nan 8.230 nan 0.000 0.431 263 R N -0.492 120.013 120.500 0.009 0.000 2.189 263 R HA -0.054 4.286 4.340 -0.000 0.000 0.218 263 R C 2.215 178.561 176.300 0.077 0.000 1.074 263 R CA 0.858 56.992 56.100 0.057 0.000 0.991 263 R CB -0.498 29.830 30.300 0.046 0.000 0.883 263 R HN 0.428 nan 8.270 nan 0.000 0.457 264 G N 0.473 109.311 108.800 0.063 0.000 2.534 264 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 264 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 264 G C 1.079 176.041 174.900 0.103 0.000 1.128 264 G CA 0.299 45.431 45.100 0.053 0.000 0.784 264 G HN 0.143 nan 8.290 nan 0.000 0.542 265 E N -0.404 119.900 120.200 0.173 0.000 2.624 265 E HA 0.274 4.624 4.350 -0.000 0.000 0.210 265 E C 1.407 178.161 176.600 0.256 0.000 0.997 265 E CA 0.396 56.954 56.400 0.263 0.000 0.999 265 E CB 0.701 30.646 29.700 0.409 0.000 1.040 265 E HN 0.369 nan 8.360 nan 0.000 0.469 266 G N 0.794 109.706 108.800 0.188 0.000 2.255 266 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.196 266 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.196 266 G C 0.672 175.650 174.900 0.130 0.000 0.998 266 G CA -0.139 45.079 45.100 0.197 0.000 0.656 266 G HN 0.452 nan 8.290 nan 0.000 0.490 267 A N -0.065 122.802 122.820 0.079 0.000 2.547 267 A HA 0.511 4.831 4.320 -0.000 0.000 0.233 267 A C -0.005 177.681 177.584 0.171 0.000 1.067 267 A CA 0.685 52.740 52.037 0.030 0.000 0.763 267 A CB 0.082 19.092 19.000 0.017 0.000 1.007 267 A HN 0.833 nan 8.150 nan 0.000 0.506 268 Y N -0.683 119.740 120.300 0.205 0.000 2.549 268 Y HA 0.600 5.150 4.550 -0.000 0.000 0.339 268 Y C 0.061 176.020 175.900 0.098 0.000 1.053 268 Y CA -1.358 56.807 58.100 0.108 0.000 1.105 268 Y CB 1.536 40.055 38.460 0.098 0.000 1.258 268 Y HN 0.487 nan 8.280 nan 0.000 0.478 269 L N 2.931 124.274 121.223 0.200 0.000 2.319 269 L HA 0.489 4.829 4.340 -0.000 0.000 0.281 269 L C -0.549 176.462 176.870 0.234 0.000 1.005 269 L CA -0.558 54.389 54.840 0.180 0.000 0.828 269 L CB 1.269 43.331 42.059 0.005 0.000 1.227 269 L HN 0.525 nan 8.230 nan 0.000 0.415 270 K N 3.041 123.746 120.400 0.509 0.000 2.208 270 K HA 0.596 4.916 4.320 -0.000 0.000 0.247 270 K C -0.535 176.431 176.600 0.609 0.000 0.953 270 K CA -0.943 55.665 56.287 0.535 0.000 0.837 270 K CB 2.343 35.054 32.500 0.351 0.000 1.131 270 K HN 0.439 nan 8.250 nan 0.000 0.431 271 R N 1.220 121.981 120.500 0.435 0.000 2.577 271 R HA 0.099 4.439 4.340 -0.000 0.000 0.269 271 R C -1.619 174.822 176.300 0.236 0.000 1.084 271 R CA -1.692 54.527 56.100 0.199 0.000 1.163 271 R CB 0.179 30.554 30.300 0.126 0.000 1.100 271 R HN 0.343 nan 8.270 nan 0.000 0.547 272 P HA -0.189 nan 4.420 nan 0.000 0.218 272 P C 0.248 177.543 177.300 -0.007 0.000 1.146 272 P CA 1.352 64.597 63.100 0.241 0.000 0.813 272 P CB 0.028 31.869 31.700 0.236 0.000 0.778 273 D N -1.862 118.558 120.400 0.033 0.000 2.336 273 D HA 0.075 4.715 4.640 -0.000 0.000 0.229 273 D C 1.480 177.786 176.300 0.009 0.000 1.061 273 D CA 0.654 54.658 54.000 0.007 0.000 0.875 273 D CB -0.705 40.109 40.800 0.025 0.000 0.904 273 D HN 0.261 nan 8.370 nan 0.000 0.525 274 G N -0.169 108.645 108.800 0.024 0.000 2.308 274 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.221 274 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.221 274 G C 0.593 175.544 174.900 0.085 0.000 1.032 274 G CA 0.224 45.348 45.100 0.040 0.000 0.623 274 G HN 0.709 nan 8.290 nan 0.000 0.506 275 T N 0.417 115.028 114.554 0.096 0.000 2.903 275 T HA 0.516 4.866 4.350 -0.000 0.000 0.314 275 T C 0.345 175.152 174.700 0.178 0.000 1.078 275 T CA -0.009 62.155 62.100 0.107 0.000 1.114 275 T CB 1.253 70.183 68.868 0.103 0.000 0.987 275 T HN 0.454 nan 8.240 nan 0.000 0.548 276 R N 1.748 122.302 120.500 0.089 0.000 2.198 276 R HA 0.282 4.622 4.340 -0.000 0.000 0.339 276 R C 0.554 176.878 176.300 0.040 0.000 1.020 276 R CA -0.403 55.711 56.100 0.024 0.000 0.864 276 R CB 0.528 30.744 30.300 -0.140 0.000 1.105 276 R HN 0.870 nan 8.270 nan 0.000 0.463 277 F N 0.248 120.254 119.950 0.093 0.000 2.569 277 F HA 0.045 4.572 4.527 0.000 0.000 0.295 277 F C 1.687 177.619 175.800 0.221 0.000 1.115 277 F CA -0.188 57.902 58.000 0.150 0.000 1.450 277 F CB -0.162 38.975 39.000 0.228 0.000 1.107 277 F HN 0.220 nan 8.300 nan 0.000 0.563 278 M N 1.715 121.021 119.600 -0.490 0.000 2.108 278 M HA -0.126 4.354 4.480 -0.000 0.000 0.257 278 M C -0.568 175.767 176.300 0.058 0.000 1.071 278 M CA 1.593 56.817 55.300 -0.126 0.000 1.093 278 M CB -2.611 29.856 32.600 -0.222 0.000 1.345 278 M HN 0.060 nan 8.290 nan 0.000 0.403 279 P HA -0.140 nan 4.420 nan 0.000 0.220 279 P C 0.549 177.814 177.300 -0.059 0.000 1.144 279 P CA 1.228 64.304 63.100 -0.040 0.000 0.800 279 P CB -0.138 31.523 31.700 -0.064 0.000 0.772 280 D N -2.997 117.345 120.400 -0.097 0.000 2.349 280 D HA 0.093 4.733 4.640 -0.000 0.000 0.224 280 D C 1.001 176.934 176.300 -0.613 0.000 1.029 280 D CA 0.572 54.361 54.000 -0.351 0.000 0.879 280 D CB -0.106 40.440 40.800 -0.423 0.000 0.906 280 D HN 0.249 nan 8.370 nan 0.000 0.528 281 F N -0.621 119.310 119.950 -0.031 0.000 2.421 281 F HA 0.181 4.708 4.527 -0.000 0.000 0.270 281 F C 0.613 176.390 175.800 -0.038 0.000 0.894 281 F CA -0.364 57.611 58.000 -0.041 0.000 1.128 281 F CB 1.386 40.368 39.000 -0.031 0.000 1.011 281 F HN -0.300 nan 8.300 nan 0.000 0.788 282 D N 0.282 120.774 120.400 0.153 0.000 2.890 282 D HA 0.130 4.770 4.640 -0.000 0.000 0.233 282 D C -0.018 176.298 176.300 0.026 0.000 1.306 282 D CA 0.023 54.067 54.000 0.074 0.000 0.929 282 D CB 1.857 42.699 40.800 0.070 0.000 1.512 282 D HN 0.276 nan 8.370 nan 0.000 0.568 283 E N 2.250 122.455 120.200 0.009 0.000 2.333 283 E HA -0.185 4.165 4.350 -0.000 0.000 0.200 283 E C 1.346 177.940 176.600 -0.011 0.000 1.010 283 E CA 1.129 57.524 56.400 -0.008 0.000 0.841 283 E CB -0.055 29.640 29.700 -0.009 0.000 0.757 283 E HN 0.313 nan 8.360 nan 0.000 0.508 284 R N 0.700 121.198 120.500 -0.004 0.000 2.280 284 R HA 0.080 4.420 4.340 -0.000 0.000 0.207 284 R C 1.396 177.686 176.300 -0.016 0.000 1.043 284 R CA 0.411 56.507 56.100 -0.008 0.000 1.006 284 R CB -0.465 29.833 30.300 -0.003 0.000 0.885 284 R HN 0.329 nan 8.270 nan 0.000 0.467 285 G N 1.580 110.365 108.800 -0.025 0.000 2.614 285 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.303 285 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.303 285 G C 0.603 175.470 174.900 -0.055 0.000 1.270 285 G CA 0.742 45.812 45.100 -0.051 0.000 0.988 285 G HN 0.341 nan 8.290 nan 0.000 0.551 286 E N -0.631 119.537 120.200 -0.053 0.000 2.233 286 E HA -0.052 4.298 4.350 -0.000 0.000 0.199 286 E C 2.153 178.748 176.600 -0.009 0.000 1.004 286 E CA 1.205 57.588 56.400 -0.029 0.000 0.819 286 E CB -0.114 29.609 29.700 0.039 0.000 0.738 286 E HN 0.250 nan 8.360 nan 0.000 0.478 287 L N -0.469 120.753 121.223 -0.001 0.000 2.791 287 L HA 0.361 4.701 4.340 -0.000 0.000 0.239 287 L C 0.271 177.142 176.870 0.001 0.000 1.203 287 L CA -0.322 54.522 54.840 0.007 0.000 1.002 287 L CB -0.826 41.245 42.059 0.020 0.000 1.295 287 L HN -0.063 nan 8.230 nan 0.000 0.504 288 A N 0.103 122.917 122.820 -0.011 0.000 2.327 288 A HA 0.542 4.862 4.320 -0.000 0.000 0.255 288 A C -2.106 175.469 177.584 -0.015 0.000 1.099 288 A CA -0.803 51.228 52.037 -0.009 0.000 0.801 288 A CB -0.486 18.509 19.000 -0.009 0.000 1.062 288 A HN 0.121 nan 8.150 nan 0.000 0.496 289 P HA 0.148 nan 4.420 nan 0.000 0.269 289 P C 0.433 177.716 177.300 -0.029 0.000 1.215 289 P CA -0.107 62.983 63.100 -0.017 0.000 0.780 289 P CB 0.431 32.127 31.700 -0.006 0.000 0.898 290 R N 1.762 122.235 120.500 -0.045 0.000 2.105 290 R HA -0.166 4.174 4.340 -0.000 0.000 0.239 290 R C 1.666 177.959 176.300 -0.011 0.000 1.135 290 R CA 1.911 57.978 56.100 -0.054 0.000 0.967 290 R CB -0.634 29.613 30.300 -0.090 0.000 0.861 290 R HN 0.650 nan 8.270 nan 0.000 0.442 291 D N 0.584 120.996 120.400 0.020 0.000 2.182 291 D HA -0.200 4.440 4.640 -0.000 0.000 0.201 291 D C 1.766 178.058 176.300 -0.012 0.000 0.986 291 D CA 1.220 55.250 54.000 0.050 0.000 0.847 291 D CB -0.282 40.572 40.800 0.091 0.000 0.942 291 D HN 0.306 nan 8.370 nan 0.000 0.467 292 I N 0.135 120.690 120.570 -0.026 0.000 2.277 292 I HA -0.186 3.984 4.170 -0.000 0.000 0.243 292 I C 2.635 178.679 176.117 -0.122 0.000 1.094 292 I CA 0.366 61.628 61.300 -0.063 0.000 1.393 292 I CB 0.128 38.116 38.000 -0.021 0.000 1.078 292 I HN -0.134 nan 8.210 nan 0.000 0.417 293 V N 0.936 120.798 119.914 -0.087 0.000 2.343 293 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 293 V C 2.615 178.650 176.094 -0.099 0.000 1.051 293 V CA 2.105 64.350 62.300 -0.091 0.000 1.036 293 V CB -0.878 30.912 31.823 -0.054 0.000 0.654 293 V HN 0.506 nan 8.190 nan 0.000 0.451 294 A N -0.683 122.093 122.820 -0.074 0.000 1.930 294 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 294 A C 2.369 179.859 177.584 -0.157 0.000 1.175 294 A CA 1.632 53.630 52.037 -0.066 0.000 0.627 294 A CB -0.497 18.508 19.000 0.009 0.000 0.815 294 A HN 0.474 nan 8.150 nan 0.000 0.443 295 R N -0.709 119.664 120.500 -0.212 0.000 2.096 295 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 295 R C 2.432 178.511 176.300 -0.369 0.000 1.127 295 R CA 1.112 57.019 56.100 -0.321 0.000 0.968 295 R CB -0.337 29.710 30.300 -0.420 0.000 0.861 295 R HN 0.525 nan 8.270 nan 0.000 0.440 296 A N 0.923 123.464 122.820 -0.466 0.000 1.898 296 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 296 A C 2.045 179.402 177.584 -0.378 0.000 1.181 296 A CA 1.110 52.651 52.037 -0.827 0.000 0.620 296 A CB -0.366 18.022 19.000 -1.020 0.000 0.819 296 A HN 0.203 nan 8.150 nan 0.000 0.442 297 I N -0.399 120.069 120.570 -0.170 0.000 2.546 297 I HA -0.187 3.983 4.170 -0.000 0.000 0.255 297 I C 2.138 178.148 176.117 -0.179 0.000 1.163 297 I CA 1.732 62.945 61.300 -0.144 0.000 1.457 297 I CB -0.367 37.602 38.000 -0.051 0.000 1.092 297 I HN 0.436 nan 8.210 nan 0.000 0.434 298 D N 0.236 120.532 120.400 -0.172 0.000 2.149 298 D HA -0.256 4.384 4.640 -0.000 0.000 0.201 298 D C 2.134 178.358 176.300 -0.126 0.000 0.972 298 D CA 1.277 55.180 54.000 -0.162 0.000 0.835 298 D CB 0.064 40.740 40.800 -0.207 0.000 0.966 298 D HN 0.333 nan 8.370 nan 0.000 0.476 299 H N 0.198 119.142 119.070 -0.210 0.000 2.290 299 H HA -0.059 4.497 4.556 -0.000 0.000 0.298 299 H C 1.710 176.996 175.328 -0.070 0.000 1.087 299 H CA 1.940 57.920 56.048 -0.114 0.000 1.291 299 H CB 0.137 29.857 29.762 -0.069 0.000 1.369 299 H HN 0.056 nan 8.280 nan 0.000 0.492 300 E N -0.084 120.142 120.200 0.043 0.000 2.338 300 E HA -0.140 4.210 4.350 -0.000 0.000 0.197 300 E C 2.175 178.691 176.600 -0.141 0.000 1.007 300 E CA 0.821 57.198 56.400 -0.039 0.000 0.849 300 E CB -0.078 29.501 29.700 -0.201 0.000 0.774 300 E HN 0.652 nan 8.360 nan 0.000 0.506 301 M N 0.050 119.550 119.600 -0.167 0.000 2.160 301 M HA -0.087 4.393 4.480 -0.000 0.000 0.264 301 M C 2.186 178.402 176.300 -0.139 0.000 1.073 301 M CA 1.222 56.422 55.300 -0.168 0.000 1.142 301 M CB -0.083 32.408 32.600 -0.182 0.000 1.358 301 M HN -0.099 nan 8.290 nan 0.000 0.422 302 K N -0.099 120.211 120.400 -0.150 0.000 2.026 302 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 302 K C 2.134 178.647 176.600 -0.145 0.000 1.048 302 K CA 1.346 57.546 56.287 -0.144 0.000 0.929 302 K CB -0.192 32.205 32.500 -0.172 0.000 0.713 302 K HN 0.194 nan 8.250 nan 0.000 0.439 303 R N 0.893 121.283 120.500 -0.185 0.000 2.070 303 R HA -0.086 4.254 4.340 -0.000 0.000 0.233 303 R C 1.858 178.112 176.300 -0.076 0.000 1.137 303 R CA 1.379 57.394 56.100 -0.141 0.000 0.945 303 R CB -0.120 30.108 30.300 -0.120 0.000 0.845 303 R HN 0.124 nan 8.270 nan 0.000 0.430 304 L N -0.236 120.947 121.223 -0.066 0.000 2.591 304 L HA 0.247 4.587 4.340 -0.000 0.000 0.228 304 L C 0.913 177.754 176.870 -0.047 0.000 1.133 304 L CA 0.331 55.145 54.840 -0.044 0.000 0.880 304 L CB 0.356 42.392 42.059 -0.038 0.000 1.033 304 L HN 0.516 nan 8.230 nan 0.000 0.450 305 G N 1.033 109.796 108.800 -0.062 0.000 2.295 305 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.287 305 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.287 305 G C 0.195 175.059 174.900 -0.061 0.000 1.055 305 G CA 0.237 45.304 45.100 -0.056 0.000 0.922 305 G HN 0.510 nan 8.290 nan 0.000 0.503 306 A N -0.604 122.163 122.820 -0.088 0.000 2.312 306 A HA 0.702 5.022 4.320 -0.000 0.000 0.326 306 A C 1.051 178.530 177.584 -0.175 0.000 1.172 306 A CA 0.244 52.220 52.037 -0.101 0.000 0.821 306 A CB 0.771 19.714 19.000 -0.095 0.000 1.166 306 A HN 0.110 nan 8.150 nan 0.000 0.493 307 D N -0.003 120.277 120.400 -0.199 0.000 2.178 307 D HA -0.025 4.615 4.640 -0.000 0.000 0.201 307 D C 0.936 176.851 176.300 -0.642 0.000 0.980 307 D CA 2.056 55.821 54.000 -0.391 0.000 0.842 307 D CB -0.251 40.357 40.800 -0.320 0.000 0.948 307 D HN 0.787 nan 8.370 nan 0.000 0.472 308 C N -3.101 115.905 119.300 -0.490 0.000 3.276 308 C HA 0.742 5.202 4.460 -0.000 0.000 0.370 308 C C -0.701 173.999 174.990 -0.484 0.000 1.624 308 C CA -1.052 57.622 59.018 -0.573 0.000 1.179 308 C CB 1.394 28.679 27.740 -0.757 0.000 1.909 308 C HN -0.055 nan 8.230 nan 0.000 0.434 309 M N -0.121 119.147 119.600 -0.553 0.000 2.812 309 M HA 0.721 5.201 4.480 -0.000 0.000 0.285 309 M C -1.558 174.379 176.300 -0.606 0.000 1.216 309 M CA -0.102 54.972 55.300 -0.376 0.000 0.749 309 M CB 1.515 33.984 32.600 -0.218 0.000 1.756 309 M HN 0.794 nan 8.290 nan 0.000 0.439 310 F N 0.515 120.535 119.950 0.117 0.000 2.599 310 F HA 0.689 5.216 4.527 -0.000 0.000 0.311 310 F C -0.863 175.040 175.800 0.171 0.000 1.076 310 F CA -0.837 57.243 58.000 0.133 0.000 0.937 310 F CB 1.811 40.884 39.000 0.122 0.000 1.282 310 F HN 0.285 nan 8.300 nan 0.000 0.460 311 L N 2.455 123.861 121.223 0.306 0.000 2.356 311 L HA 0.633 4.973 4.340 -0.000 0.000 0.277 311 L C -1.595 175.394 176.870 0.198 0.000 0.996 311 L CA -0.086 54.883 54.840 0.215 0.000 0.822 311 L CB 1.404 43.538 42.059 0.126 0.000 1.256 311 L HN 0.531 nan 8.230 nan 0.000 0.413 312 D N 4.291 124.800 120.400 0.181 0.000 2.686 312 D HA 0.410 5.050 4.640 -0.000 0.000 0.249 312 D C -0.391 175.913 176.300 0.007 0.000 1.260 312 D CA -0.258 53.820 54.000 0.131 0.000 0.910 312 D CB 1.410 42.337 40.800 0.213 0.000 1.323 312 D HN 0.365 nan 8.370 nan 0.000 0.561 313 I N 1.383 121.884 120.570 -0.114 0.000 3.762 313 I HA 0.265 4.435 4.170 -0.000 0.000 0.333 313 I C 1.643 177.457 176.117 -0.505 0.000 1.566 313 I CA -0.462 60.605 61.300 -0.388 0.000 1.129 313 I CB -0.361 37.534 38.000 -0.176 0.000 1.218 313 I HN 0.077 nan 8.210 nan 0.000 0.456 314 S N 1.630 117.159 115.700 -0.284 0.000 2.370 314 S HA -0.222 4.248 4.470 -0.000 0.000 0.226 314 S C 1.750 176.243 174.600 -0.178 0.000 1.033 314 S CA 2.067 60.183 58.200 -0.140 0.000 1.011 314 S CB -0.614 62.590 63.200 0.006 0.000 0.852 314 S HN 0.850 nan 8.310 nan 0.000 0.457 315 H N 0.509 119.552 119.070 -0.044 0.000 2.568 315 H HA 0.216 4.772 4.556 -0.000 0.000 0.285 315 H C 0.420 175.729 175.328 -0.031 0.000 1.048 315 H CA 0.554 56.592 56.048 -0.018 0.000 1.197 315 H CB -0.311 29.446 29.762 -0.009 0.000 1.343 315 H HN 0.138 nan 8.280 nan 0.000 0.614 316 K N 0.906 121.114 120.400 -0.319 0.000 2.221 316 K HA 0.298 4.618 4.320 -0.000 0.000 0.243 316 K C -2.738 173.829 176.600 -0.056 0.000 0.968 316 K CA -2.351 53.835 56.287 -0.169 0.000 0.846 316 K CB 1.251 33.632 32.500 -0.197 0.000 1.141 316 K HN -0.015 nan 8.250 nan 0.000 0.434 317 P HA -0.042 nan 4.420 nan 0.000 0.260 317 P C 0.108 177.436 177.300 0.046 0.000 1.207 317 P CA 0.324 63.432 63.100 0.012 0.000 0.780 317 P CB 0.474 32.179 31.700 0.009 0.000 0.789 318 A N 3.799 126.624 122.820 0.008 0.000 2.023 318 A HA -0.298 4.022 4.320 -0.000 0.000 0.223 318 A C 1.750 179.301 177.584 -0.055 0.000 1.180 318 A CA 2.304 54.326 52.037 -0.026 0.000 0.659 318 A CB -1.079 17.903 19.000 -0.030 0.000 0.817 318 A HN 0.439 nan 8.150 nan 0.000 0.466 319 D N -2.198 118.193 120.400 -0.014 0.000 2.162 319 D HA 0.018 4.658 4.640 -0.000 0.000 0.203 319 D C 1.484 177.759 176.300 -0.040 0.000 0.967 319 D CA 0.808 54.783 54.000 -0.041 0.000 0.840 319 D CB -0.199 40.590 40.800 -0.018 0.000 0.972 319 D HN 0.427 nan 8.370 nan 0.000 0.482 320 F N 1.288 121.160 119.950 -0.129 0.000 2.031 320 F HA -0.135 4.392 4.527 -0.000 0.000 0.295 320 F C 2.013 177.725 175.800 -0.147 0.000 1.133 320 F CA 1.253 59.173 58.000 -0.134 0.000 1.188 320 F CB -0.538 38.456 39.000 -0.010 0.000 0.974 320 F HN -0.092 nan 8.300 nan 0.000 0.473 321 I N 0.794 121.429 120.570 0.109 0.000 2.091 321 I HA -0.398 3.772 4.170 -0.000 0.000 0.240 321 I C 2.647 178.693 176.117 -0.118 0.000 1.046 321 I CA 2.123 63.460 61.300 0.063 0.000 1.306 321 I CB -0.719 37.329 38.000 0.080 0.000 1.018 321 I HN 0.222 nan 8.210 nan 0.000 0.404 322 R N 1.071 121.419 120.500 -0.254 0.000 2.280 322 R HA -0.113 4.227 4.340 -0.000 0.000 0.207 322 R C 1.637 177.765 176.300 -0.288 0.000 1.043 322 R CA 1.139 57.021 56.100 -0.363 0.000 1.006 322 R CB -0.227 29.743 30.300 -0.551 0.000 0.885 322 R HN 0.497 nan 8.270 nan 0.000 0.467 323 Q N -0.192 119.380 119.800 -0.380 0.000 2.204 323 Q HA -0.004 4.336 4.340 -0.000 0.000 0.198 323 Q C 1.561 177.212 176.000 -0.582 0.000 0.946 323 Q CA 0.833 56.358 55.803 -0.464 0.000 0.859 323 Q CB -0.027 28.384 28.738 -0.545 0.000 0.946 323 Q HN 0.559 nan 8.270 nan 0.000 0.474 324 H N -1.345 117.354 119.070 -0.619 0.000 2.512 324 H HA 0.086 4.642 4.556 -0.000 0.000 0.279 324 H C 0.185 174.906 175.328 -1.010 0.000 0.999 324 H CA 0.501 55.984 56.048 -0.942 0.000 1.283 324 H CB 0.177 29.095 29.762 -1.407 0.000 1.421 324 H HN 0.112 nan 8.280 nan 0.000 0.554 325 F N 0.043 119.977 119.950 -0.026 0.000 2.623 325 F HA 0.244 4.771 4.527 0.000 0.000 0.361 325 F C -1.729 174.107 175.800 0.060 0.000 1.469 325 F CA -1.776 56.246 58.000 0.035 0.000 1.126 325 F CB 1.378 40.410 39.000 0.053 0.000 1.221 325 F HN -0.047 nan 8.300 nan 0.000 0.536 326 P HA -0.278 nan 4.420 nan 0.000 0.213 326 P C 2.126 179.542 177.300 0.193 0.000 1.170 326 P CA 1.580 64.749 63.100 0.116 0.000 0.902 326 P CB 0.190 31.908 31.700 0.030 0.000 0.789 327 M N -1.147 118.554 119.600 0.169 0.000 2.086 327 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 327 M C 2.120 178.535 176.300 0.191 0.000 1.067 327 M CA 1.847 57.242 55.300 0.159 0.000 1.116 327 M CB -1.125 31.567 32.600 0.153 0.000 1.348 327 M HN -0.171 nan 8.290 nan 0.000 0.407 328 I N -0.252 120.473 120.570 0.258 0.000 2.226 328 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 328 I C 2.370 178.603 176.117 0.193 0.000 1.100 328 I CA 1.277 62.725 61.300 0.248 0.000 1.374 328 I CB -0.689 37.458 38.000 0.244 0.000 1.057 328 I HN 0.305 nan 8.210 nan 0.000 0.413 329 Y N 1.565 121.924 120.300 0.098 0.000 2.070 329 Y HA -0.350 4.200 4.550 0.000 0.000 0.280 329 Y C 2.604 178.516 175.900 0.020 0.000 1.148 329 Y CA 2.286 60.421 58.100 0.059 0.000 1.125 329 Y CB -0.581 37.919 38.460 0.067 0.000 0.975 329 Y HN 0.280 nan 8.280 nan 0.000 0.492 330 E N 0.338 120.540 120.200 0.002 0.000 2.070 330 E HA -0.346 4.004 4.350 -0.000 0.000 0.197 330 E C 2.222 178.721 176.600 -0.167 0.000 1.004 330 E CA 1.993 58.314 56.400 -0.131 0.000 0.805 330 E CB -0.350 29.349 29.700 -0.002 0.000 0.744 330 E HN 0.541 nan 8.360 nan 0.000 0.451 331 K N 0.131 120.457 120.400 -0.123 0.000 2.288 331 K HA -0.052 4.268 4.320 -0.000 0.000 0.201 331 K C 2.025 178.480 176.600 -0.241 0.000 1.048 331 K CA 0.660 56.821 56.287 -0.211 0.000 0.956 331 K CB 0.050 32.362 32.500 -0.313 0.000 0.746 331 K HN 0.206 nan 8.250 nan 0.000 0.461 332 L N 0.461 121.574 121.223 -0.183 0.000 2.270 332 L HA -0.037 4.303 4.340 -0.000 0.000 0.210 332 L C 1.996 178.760 176.870 -0.176 0.000 1.104 332 L CA -0.119 54.627 54.840 -0.157 0.000 0.804 332 L CB -0.189 41.837 42.059 -0.054 0.000 0.937 332 L HN 0.184 nan 8.230 nan 0.000 0.450 333 L N 0.408 121.477 121.223 -0.256 0.000 2.083 333 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 333 L C 2.355 179.117 176.870 -0.180 0.000 1.083 333 L CA 1.862 56.541 54.840 -0.269 0.000 0.752 333 L CB -1.337 40.455 42.059 -0.446 0.000 0.899 333 L HN 0.177 nan 8.230 nan 0.000 0.433 334 G N -1.575 107.117 108.800 -0.180 0.000 2.679 334 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.212 334 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.212 334 G C 1.275 176.095 174.900 -0.134 0.000 1.137 334 G CA 0.310 45.325 45.100 -0.141 0.000 0.787 334 G HN 0.429 nan 8.290 nan 0.000 0.534 335 L N -0.335 120.793 121.223 -0.158 0.000 2.808 335 L HA 0.351 4.691 4.340 -0.000 0.000 0.246 335 L C 1.501 178.349 176.870 -0.037 0.000 1.153 335 L CA 0.160 54.909 54.840 -0.151 0.000 0.956 335 L CB 0.279 42.115 42.059 -0.373 0.000 1.270 335 L HN 0.190 nan 8.230 nan 0.000 0.528 336 G N 1.792 110.561 108.800 -0.051 0.000 2.289 336 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.280 336 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.280 336 G C -0.245 174.660 174.900 0.009 0.000 1.089 336 G CA -0.082 45.008 45.100 -0.017 0.000 0.939 336 G HN 0.300 nan 8.290 nan 0.000 0.499 337 I N -0.242 120.320 120.570 -0.014 0.000 2.533 337 I HA 0.343 4.513 4.170 -0.000 0.000 0.290 337 I C -1.086 175.032 176.117 0.001 0.000 1.056 337 I CA -0.899 60.415 61.300 0.024 0.000 1.057 337 I CB 2.177 40.208 38.000 0.051 0.000 1.240 337 I HN 0.012 nan 8.210 nan 0.000 0.423 338 D N 5.224 125.653 120.400 0.048 0.000 2.454 338 D HA 0.209 4.849 4.640 -0.000 0.000 0.225 338 D C 0.571 176.966 176.300 0.157 0.000 1.081 338 D CA -0.407 53.651 54.000 0.098 0.000 0.864 338 D CB 1.537 42.403 40.800 0.110 0.000 1.040 338 D HN 0.406 nan 8.370 nan 0.000 0.517 339 L N 3.243 124.598 121.223 0.220 0.000 2.261 339 L HA -0.081 4.259 4.340 -0.000 0.000 0.216 339 L C 1.819 178.780 176.870 0.151 0.000 1.114 339 L CA 1.597 56.548 54.840 0.185 0.000 0.777 339 L CB -0.239 41.950 42.059 0.218 0.000 0.910 339 L HN 0.368 nan 8.230 nan 0.000 0.440 340 T N -1.625 113.048 114.554 0.199 0.000 3.023 340 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 340 T C 1.532 176.280 174.700 0.080 0.000 1.093 340 T CA 1.231 63.397 62.100 0.111 0.000 1.129 340 T CB 0.112 69.064 68.868 0.139 0.000 0.899 340 T HN 0.364 nan 8.240 nan 0.000 0.491 341 Q N -0.339 119.517 119.800 0.093 0.000 2.143 341 Q HA 0.225 4.565 4.340 -0.000 0.000 0.242 341 Q C -0.160 175.877 176.000 0.061 0.000 0.790 341 Q CA -0.044 55.799 55.803 0.067 0.000 0.954 341 Q CB 1.166 29.943 28.738 0.066 0.000 1.155 341 Q HN 0.621 nan 8.270 nan 0.000 0.474 342 E N -0.676 119.567 120.200 0.073 0.000 2.429 342 E HA 0.516 4.866 4.350 -0.000 0.000 0.276 342 E C -2.758 173.900 176.600 0.097 0.000 0.953 342 E CA -2.464 53.978 56.400 0.070 0.000 0.787 342 E CB 1.882 31.623 29.700 0.067 0.000 1.307 342 E HN -0.224 nan 8.360 nan 0.000 0.458 343 P HA 0.047 nan 4.420 nan 0.000 0.271 343 P C -0.334 177.144 177.300 0.298 0.000 1.216 343 P CA -0.292 62.917 63.100 0.180 0.000 0.776 343 P CB 0.855 32.597 31.700 0.070 0.000 0.881 344 V N 4.397 124.511 119.914 0.333 0.000 2.435 344 V HA 0.335 4.455 4.120 -0.000 0.000 0.290 344 V C -2.043 174.217 176.094 0.276 0.000 1.030 344 V CA -2.437 60.038 62.300 0.290 0.000 0.881 344 V CB 1.310 33.237 31.823 0.174 0.000 0.983 344 V HN 0.525 nan 8.190 nan 0.000 0.445 345 P HA 0.414 nan 4.420 nan 0.000 0.276 345 P C -0.900 176.339 177.300 -0.101 0.000 1.243 345 P CA -0.019 62.943 63.100 -0.232 0.000 0.768 345 P CB 1.040 32.716 31.700 -0.041 0.000 0.856 346 I N 2.034 122.471 120.570 -0.222 0.000 2.785 346 I HA 0.799 4.969 4.170 -0.000 0.000 0.302 346 I C -0.459 175.572 176.117 -0.144 0.000 1.069 346 I CA -1.305 59.943 61.300 -0.087 0.000 1.045 346 I CB 2.295 40.283 38.000 -0.020 0.000 1.236 346 I HN 0.222 nan 8.210 nan 0.000 0.429 347 V N 0.404 120.279 119.914 -0.065 0.000 3.159 347 V HA 0.805 4.925 4.120 -0.000 0.000 0.308 347 V C -2.960 173.141 176.094 0.011 0.000 1.190 347 V CA -2.248 59.998 62.300 -0.090 0.000 1.037 347 V CB 1.632 33.376 31.823 -0.133 0.000 1.060 347 V HN 0.713 nan 8.190 nan 0.000 0.437 348 P HA 0.706 nan 4.420 nan 0.000 0.278 348 P C -0.780 176.694 177.300 0.291 0.000 1.238 348 P CA 0.039 63.234 63.100 0.158 0.000 0.794 348 P CB 1.300 33.063 31.700 0.105 0.000 0.955 349 A N 1.867 124.914 122.820 0.378 0.000 2.587 349 A HA 0.732 5.052 4.320 -0.000 0.000 0.293 349 A C -0.919 176.977 177.584 0.520 0.000 1.087 349 A CA -0.820 51.498 52.037 0.468 0.000 0.692 349 A CB 1.120 20.272 19.000 0.253 0.000 1.291 349 A HN 0.485 nan 8.150 nan 0.000 0.407 350 A N 0.037 123.166 122.820 0.514 0.000 2.524 350 A HA 0.439 4.759 4.320 -0.000 0.000 0.250 350 A C 0.436 178.137 177.584 0.195 0.000 1.078 350 A CA 0.980 53.106 52.037 0.149 0.000 0.761 350 A CB -0.322 18.721 19.000 0.073 0.000 1.012 350 A HN 1.341 nan 8.150 nan 0.000 0.500 351 H N 1.274 120.353 119.070 0.016 0.000 2.258 351 H HA 0.329 4.885 4.556 -0.000 0.000 0.250 351 H C -0.900 174.523 175.328 0.159 0.000 0.908 351 H CA 0.825 56.942 56.048 0.114 0.000 1.096 351 H CB 0.313 30.199 29.762 0.206 0.000 1.422 351 H HN 0.664 nan 8.280 nan 0.000 0.469 352 Y N 0.413 120.622 120.300 -0.151 0.000 2.524 352 Y HA 0.448 4.998 4.550 0.000 0.000 0.347 352 Y C -1.039 174.805 175.900 -0.092 0.000 1.005 352 Y CA -1.014 56.973 58.100 -0.188 0.000 1.025 352 Y CB 1.992 40.343 38.460 -0.182 0.000 1.275 352 Y HN 0.004 nan 8.280 nan 0.000 0.460 353 T N 4.699 118.918 114.554 -0.559 0.000 2.832 353 T HA 0.184 4.534 4.350 -0.000 0.000 0.313 353 T C 0.604 175.091 174.700 -0.354 0.000 1.035 353 T CA -0.353 61.553 62.100 -0.324 0.000 0.950 353 T CB -0.111 68.596 68.868 -0.268 0.000 0.984 353 T HN 0.858 nan 8.240 nan 0.000 0.486 354 C N 2.882 122.202 119.300 0.033 0.000 2.432 354 C HA 0.173 4.633 4.460 -0.000 0.000 0.282 354 C C 2.057 177.227 174.990 0.299 0.000 1.388 354 C CA -0.081 59.089 59.018 0.254 0.000 1.777 354 C CB -1.188 26.744 27.740 0.320 0.000 1.882 354 C HN 0.981 nan 8.230 nan 0.000 0.520 355 G N -0.997 107.921 108.800 0.197 0.000 2.641 355 G HA2 0.635 4.595 3.960 -0.000 0.000 0.239 355 G HA3 0.635 4.595 3.960 -0.000 0.000 0.239 355 G C 0.039 175.019 174.900 0.134 0.000 1.402 355 G CA 0.438 45.660 45.100 0.202 0.000 1.046 355 G HN 0.880 nan 8.290 nan 0.000 0.565 356 G N -2.676 106.178 108.800 0.090 0.000 2.278 356 G HA2 0.296 4.256 3.960 -0.000 0.000 0.265 356 G HA3 0.296 4.256 3.960 -0.000 0.000 0.265 356 G C -1.015 173.947 174.900 0.103 0.000 1.329 356 G CA -0.130 45.011 45.100 0.069 0.000 1.017 356 G HN 1.194 nan 8.290 nan 0.000 0.472 357 V N 2.404 122.379 119.914 0.101 0.000 2.521 357 V HA 0.355 4.475 4.120 -0.000 0.000 0.286 357 V C 1.340 177.519 176.094 0.141 0.000 1.034 357 V CA 0.171 62.539 62.300 0.113 0.000 1.045 357 V CB 0.783 32.659 31.823 0.088 0.000 0.974 357 V HN 0.596 nan 8.190 nan 0.000 0.480 358 M N 4.730 124.427 119.600 0.162 0.000 2.248 358 M HA 0.431 4.911 4.480 -0.000 0.000 0.337 358 M C -0.442 175.912 176.300 0.090 0.000 1.121 358 M CA 0.413 55.844 55.300 0.218 0.000 1.155 358 M CB 0.909 33.628 32.600 0.198 0.000 1.514 358 M HN 0.460 nan 8.290 nan 0.000 0.452 359 V N 1.154 121.088 119.914 0.033 0.000 3.167 359 V HA 0.200 4.320 4.120 -0.000 0.000 0.293 359 V C -1.143 174.923 176.094 -0.047 0.000 1.379 359 V CA -0.834 61.456 62.300 -0.018 0.000 1.019 359 V CB 2.672 34.468 31.823 -0.044 0.000 1.115 359 V HN 1.036 nan 8.190 nan 0.000 0.442 360 D N 1.319 121.703 120.400 -0.026 0.000 2.539 360 D HA 0.247 4.887 4.640 -0.000 0.000 0.280 360 D C 0.707 176.991 176.300 -0.026 0.000 1.208 360 D CA -0.216 53.756 54.000 -0.048 0.000 1.088 360 D CB 0.373 41.149 40.800 -0.041 0.000 1.149 360 D HN 0.371 nan 8.370 nan 0.000 0.596 361 D N -1.592 118.712 120.400 -0.159 0.000 2.228 361 D HA -0.159 4.481 4.640 -0.000 0.000 0.203 361 D C 1.215 177.399 176.300 -0.194 0.000 0.988 361 D CA 1.214 55.020 54.000 -0.325 0.000 0.864 361 D CB -0.110 40.317 40.800 -0.621 0.000 0.928 361 D HN 0.430 nan 8.370 nan 0.000 0.469 362 H N -1.825 117.302 119.070 0.095 0.000 2.586 362 H HA 0.352 4.908 4.556 -0.000 0.000 0.273 362 H C 1.478 176.975 175.328 0.282 0.000 0.997 362 H CA 0.771 56.901 56.048 0.137 0.000 1.177 362 H CB 1.039 30.873 29.762 0.120 0.000 1.471 362 H HN 0.178 nan 8.280 nan 0.000 0.538 363 G N 1.573 110.579 108.800 0.344 0.000 2.159 363 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.227 363 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.227 363 G C 0.276 175.281 174.900 0.176 0.000 0.986 363 G CA -0.490 44.800 45.100 0.317 0.000 0.651 363 G HN 0.271 nan 8.290 nan 0.000 0.523 364 R N 1.710 122.220 120.500 0.018 0.000 2.316 364 R HA 0.421 4.761 4.340 -0.000 0.000 0.314 364 R C 1.447 177.658 176.300 -0.147 0.000 1.069 364 R CA 0.666 56.605 56.100 -0.269 0.000 0.959 364 R CB 0.544 30.732 30.300 -0.187 0.000 0.987 364 R HN 0.488 nan 8.270 nan 0.000 0.446 365 T N -1.356 113.099 114.554 -0.165 0.000 2.833 365 T HA 0.052 4.402 4.350 -0.000 0.000 0.312 365 T C 0.921 175.579 174.700 -0.071 0.000 1.085 365 T CA -0.526 61.531 62.100 -0.073 0.000 0.955 365 T CB 0.576 69.416 68.868 -0.047 0.000 1.353 365 T HN 0.379 nan 8.240 nan 0.000 0.544 366 D N -0.375 120.002 120.400 -0.040 0.000 2.312 366 D HA 0.101 4.741 4.640 -0.000 0.000 0.211 366 D C 0.254 176.521 176.300 -0.055 0.000 0.964 366 D CA 0.505 54.480 54.000 -0.041 0.000 0.877 366 D CB -0.068 40.715 40.800 -0.030 0.000 0.924 366 D HN 0.267 nan 8.370 nan 0.000 0.515 367 V N 2.374 122.250 119.914 -0.063 0.000 2.384 367 V HA 0.079 4.199 4.120 -0.000 0.000 0.287 367 V C 0.386 176.434 176.094 -0.077 0.000 1.020 367 V CA -0.926 61.338 62.300 -0.060 0.000 0.850 367 V CB 2.087 33.883 31.823 -0.045 0.000 0.987 367 V HN -0.096 nan 8.190 nan 0.000 0.436 368 E N 2.894 123.056 120.200 -0.062 0.000 2.502 368 E HA 0.145 4.495 4.350 -0.000 0.000 0.261 368 E C 1.359 177.931 176.600 -0.046 0.000 0.974 368 E CA 1.233 57.598 56.400 -0.058 0.000 0.936 368 E CB 0.710 30.395 29.700 -0.025 0.000 0.926 368 E HN 1.085 nan 8.360 nan 0.000 0.459 369 G N 1.983 110.758 108.800 -0.042 0.000 2.267 369 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.257 369 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.257 369 G C 0.024 174.950 174.900 0.044 0.000 0.998 369 G CA 0.390 45.508 45.100 0.031 0.000 0.620 369 G HN 0.393 nan 8.290 nan 0.000 0.529 370 L N 1.101 122.293 121.223 -0.051 0.000 2.282 370 L HA 0.817 5.157 4.340 -0.000 0.000 0.288 370 L C -0.270 176.523 176.870 -0.128 0.000 1.033 370 L CA -1.584 53.248 54.840 -0.013 0.000 0.807 370 L CB 0.672 42.723 42.059 -0.013 0.000 1.209 370 L HN 0.155 nan 8.230 nan 0.000 0.423 371 Y N 3.044 123.354 120.300 0.018 0.000 2.602 371 Y HA 0.835 5.385 4.550 -0.000 0.000 0.330 371 Y C 0.056 175.972 175.900 0.027 0.000 1.114 371 Y CA -0.611 57.504 58.100 0.025 0.000 1.182 371 Y CB 2.055 40.529 38.460 0.024 0.000 1.305 371 Y HN 0.640 nan 8.280 nan 0.000 0.502 372 A N 2.344 125.277 122.820 0.187 0.000 2.456 372 A HA 0.746 5.066 4.320 -0.000 0.000 0.288 372 A C -1.329 176.308 177.584 0.089 0.000 1.042 372 A CA -0.504 51.600 52.037 0.112 0.000 0.738 372 A CB 0.527 19.568 19.000 0.068 0.000 1.266 372 A HN 0.707 nan 8.150 nan 0.000 0.407 373 I N -0.411 120.210 120.570 0.085 0.000 3.074 373 I HA 0.969 5.139 4.170 -0.000 0.000 0.310 373 I C 0.438 176.596 176.117 0.068 0.000 1.153 373 I CA -0.315 61.026 61.300 0.070 0.000 0.993 373 I CB 2.108 40.197 38.000 0.147 0.000 1.237 373 I HN 1.981 nan 8.210 nan 0.000 0.443 374 G N 2.829 111.675 108.800 0.077 0.000 2.568 374 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.222 374 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.222 374 G C 0.225 175.173 174.900 0.080 0.000 1.321 374 G CA 0.531 45.696 45.100 0.108 0.000 0.893 374 G HN 1.165 nan 8.290 nan 0.000 0.569 375 E N -0.865 119.376 120.200 0.068 0.000 2.208 375 E HA 0.046 4.396 4.350 -0.000 0.000 0.193 375 E C 2.485 179.040 176.600 -0.074 0.000 0.988 375 E CA 1.545 57.922 56.400 -0.038 0.000 0.828 375 E CB -0.062 29.559 29.700 -0.131 0.000 0.763 375 E HN 0.812 nan 8.360 nan 0.000 0.478 376 V N 0.866 120.769 119.914 -0.019 0.000 2.867 376 V HA -0.127 3.993 4.120 -0.000 0.000 0.260 376 V C 0.993 177.097 176.094 0.017 0.000 1.099 376 V CA 1.353 63.651 62.300 -0.004 0.000 1.122 376 V CB -0.244 31.594 31.823 0.024 0.000 0.708 376 V HN 0.422 nan 8.190 nan 0.000 0.490 377 S N -1.172 114.537 115.700 0.015 0.000 2.745 377 S HA 0.478 4.948 4.470 -0.000 0.000 0.292 377 S C -0.830 173.812 174.600 0.071 0.000 1.133 377 S CA -0.549 57.664 58.200 0.021 0.000 0.998 377 S CB 1.582 64.740 63.200 -0.071 0.000 1.087 377 S HN 0.419 nan 8.310 nan 0.000 0.551 378 Y N 0.755 121.024 120.300 -0.051 0.000 2.332 378 Y HA 0.472 5.022 4.550 0.000 0.000 0.326 378 Y C 0.711 176.553 175.900 -0.095 0.000 0.978 378 Y CA -0.167 57.912 58.100 -0.036 0.000 1.205 378 Y CB 1.659 40.124 38.460 0.008 0.000 1.131 378 Y HN 0.933 nan 8.280 nan 0.000 0.462 379 T N 0.297 114.304 114.554 -0.911 0.000 2.978 379 T HA 0.399 4.749 4.350 -0.000 0.000 0.248 379 T C 1.300 175.509 174.700 -0.818 0.000 1.018 379 T CA 0.512 62.157 62.100 -0.758 0.000 1.026 379 T CB 0.296 68.791 68.868 -0.622 0.000 1.032 379 T HN 1.435 nan 8.240 nan 0.000 0.485 380 G N 1.079 109.258 108.800 -1.035 0.000 2.231 380 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.206 380 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.206 380 G C 0.618 175.358 174.900 -0.268 0.000 0.996 380 G CA 0.207 44.995 45.100 -0.520 0.000 0.645 380 G HN 0.534 nan 8.290 nan 0.000 0.498 381 L N 0.940 121.954 121.223 -0.349 0.000 2.187 381 L HA 0.114 4.454 4.340 -0.000 0.000 0.213 381 L C 1.939 178.672 176.870 -0.228 0.000 1.100 381 L CA 2.696 57.355 54.840 -0.303 0.000 0.765 381 L CB -0.359 41.429 42.059 -0.452 0.000 0.904 381 L HN 0.470 nan 8.230 nan 0.000 0.437 382 H N -1.536 117.540 119.070 0.011 0.000 2.893 382 H HA 0.404 4.960 4.556 -0.000 0.000 0.270 382 H C 1.550 176.868 175.328 -0.017 0.000 1.095 382 H CA 0.281 56.345 56.048 0.026 0.000 1.186 382 H CB -0.132 29.691 29.762 0.101 0.000 1.562 382 H HN 0.330 nan 8.280 nan 0.000 0.536 383 G N 1.720 110.570 108.800 0.083 0.000 2.698 383 G HA2 -0.417 3.542 3.960 -0.000 0.000 0.337 383 G HA3 -0.417 3.542 3.960 -0.000 0.000 0.337 383 G C 1.196 175.926 174.900 -0.284 0.000 1.286 383 G CA 1.549 46.629 45.100 -0.034 0.000 1.000 383 G HN 0.568 nan 8.290 nan 0.000 0.547 384 A N 0.222 122.758 122.820 -0.474 0.000 2.379 384 A HA 0.570 4.890 4.320 -0.000 0.000 0.236 384 A C 0.663 178.015 177.584 -0.386 0.000 1.272 384 A CA 1.457 52.894 52.037 -0.999 0.000 0.886 384 A CB -0.348 18.178 19.000 -0.790 0.000 0.962 384 A HN 1.828 nan 8.150 nan 0.000 0.504 385 N N -1.198 117.422 118.700 -0.133 0.000 4.251 385 N HA 0.220 4.960 4.740 -0.000 0.000 0.189 385 N C -1.287 174.223 175.510 -0.000 0.000 1.037 385 N CA -0.508 52.530 53.050 -0.020 0.000 1.139 385 N CB 0.422 38.904 38.487 -0.009 0.000 1.614 385 N HN 0.169 nan 8.380 nan 0.000 0.802 386 L N 2.934 124.134 121.223 -0.038 0.000 2.371 386 L HA 0.623 4.963 4.340 -0.000 0.000 0.272 386 L C -0.236 176.579 176.870 -0.091 0.000 1.124 386 L CA -0.208 54.547 54.840 -0.141 0.000 0.816 386 L CB 0.743 42.514 42.059 -0.480 0.000 1.129 386 L HN 0.756 nan 8.230 nan 0.000 0.448 387 M N 5.048 124.628 119.600 -0.033 0.000 2.157 387 M HA 0.501 4.981 4.480 -0.000 0.000 0.354 387 M C 0.208 176.534 176.300 0.044 0.000 1.170 387 M CA -0.612 54.686 55.300 -0.004 0.000 1.060 387 M CB 1.254 33.833 32.600 -0.036 0.000 1.615 387 M HN 0.952 nan 8.290 nan 0.000 0.460 388 A N 3.948 126.813 122.820 0.075 0.000 2.608 388 A HA 0.097 4.417 4.320 -0.000 0.000 0.239 388 A C 0.966 178.646 177.584 0.159 0.000 1.018 388 A CA 1.201 53.288 52.037 0.083 0.000 0.766 388 A CB -0.450 18.582 19.000 0.053 0.000 0.928 388 A HN 1.269 nan 8.150 nan 0.000 0.512 389 S N 1.189 116.931 115.700 0.070 0.000 3.228 389 S HA -0.172 4.298 4.470 -0.000 0.000 0.282 389 S C 0.882 175.566 174.600 0.139 0.000 1.286 389 S CA 1.184 59.433 58.200 0.082 0.000 1.066 389 S CB -1.573 61.644 63.200 0.029 0.000 1.277 389 S HN 0.905 nan 8.310 nan 0.000 0.661 390 N N 0.965 119.750 118.700 0.143 0.000 2.412 390 N HA 0.119 4.859 4.740 -0.000 0.000 0.184 390 N C 1.665 177.299 175.510 0.208 0.000 1.101 390 N CA 1.024 54.200 53.050 0.210 0.000 0.881 390 N CB -0.106 38.531 38.487 0.250 0.000 0.969 390 N HN 0.768 nan 8.380 nan 0.000 0.459 391 S N 0.073 115.812 115.700 0.063 0.000 2.356 391 S HA 0.071 4.541 4.470 -0.000 0.000 0.219 391 S C 2.011 176.729 174.600 0.196 0.000 1.036 391 S CA 0.290 58.535 58.200 0.076 0.000 0.965 391 S CB -0.550 62.489 63.200 -0.269 0.000 0.864 391 S HN 0.135 nan 8.310 nan 0.000 0.471 392 L N 0.789 122.104 121.223 0.153 0.000 2.079 392 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 392 L C 2.602 179.581 176.870 0.182 0.000 1.081 392 L CA 1.001 55.943 54.840 0.170 0.000 0.752 392 L CB -0.567 41.582 42.059 0.150 0.000 0.896 392 L HN 0.303 nan 8.230 nan 0.000 0.433 393 L N 0.128 121.458 121.223 0.178 0.000 2.012 393 L HA -0.276 4.064 4.340 -0.000 0.000 0.210 393 L C 2.422 179.415 176.870 0.205 0.000 1.073 393 L CA 1.942 56.888 54.840 0.176 0.000 0.748 393 L CB -0.585 41.583 42.059 0.183 0.000 0.891 393 L HN 0.255 nan 8.230 nan 0.000 0.431 394 E N -1.140 119.219 120.200 0.265 0.000 2.118 394 E HA -0.269 4.081 4.350 -0.000 0.000 0.195 394 E C 2.209 179.038 176.600 0.383 0.000 0.992 394 E CA 1.751 58.368 56.400 0.362 0.000 0.804 394 E CB -0.178 29.726 29.700 0.340 0.000 0.741 394 E HN 0.722 nan 8.360 nan 0.000 0.458 395 C N 0.275 119.739 119.300 0.273 0.000 2.413 395 C HA -0.146 4.314 4.460 -0.000 0.000 0.276 395 C C 2.596 177.698 174.990 0.187 0.000 1.236 395 C CA 0.600 59.752 59.018 0.223 0.000 1.735 395 C CB -1.050 26.802 27.740 0.187 0.000 2.031 395 C HN 0.450 nan 8.230 nan 0.000 0.474 396 L N 0.361 121.676 121.223 0.153 0.000 2.027 396 L HA -0.114 4.226 4.340 -0.000 0.000 0.206 396 L C 2.578 179.485 176.870 0.060 0.000 1.074 396 L CA 1.222 56.106 54.840 0.073 0.000 0.745 396 L CB -0.968 41.135 42.059 0.073 0.000 0.898 396 L HN 0.174 nan 8.230 nan 0.000 0.433 397 V N -1.185 118.783 119.914 0.089 0.000 2.407 397 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 397 V C 2.125 178.240 176.094 0.034 0.000 1.055 397 V CA 1.813 64.135 62.300 0.036 0.000 1.049 397 V CB -0.707 31.055 31.823 -0.102 0.000 0.662 397 V HN 0.334 nan 8.190 nan 0.000 0.455 398 Y N 0.818 121.217 120.300 0.164 0.000 2.420 398 Y HA 0.149 4.699 4.550 0.000 0.000 0.292 398 Y C 2.463 178.402 175.900 0.066 0.000 1.119 398 Y CA 0.885 59.066 58.100 0.134 0.000 1.229 398 Y CB -0.694 37.837 38.460 0.119 0.000 1.026 398 Y HN 0.248 nan 8.280 nan 0.000 0.554 399 G N -0.175 108.711 108.800 0.144 0.000 2.421 399 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.216 399 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.216 399 G C 1.402 176.287 174.900 -0.025 0.000 1.171 399 G CA 0.891 46.005 45.100 0.024 0.000 0.775 399 G HN 0.539 nan 8.290 nan 0.000 0.543 400 W N 2.213 123.387 121.300 -0.210 0.000 2.289 400 W HA -0.234 4.426 4.660 0.000 0.000 0.328 400 W C 3.021 179.477 176.519 -0.106 0.000 1.241 400 W CA 2.982 60.188 57.345 -0.232 0.000 1.221 400 W CB -0.993 28.309 29.460 -0.263 0.000 1.175 400 W HN 0.255 nan 8.180 nan 0.000 0.457 401 S N 0.643 116.068 115.700 -0.458 0.000 2.419 401 S HA -0.182 4.288 4.470 -0.000 0.000 0.235 401 S C 1.932 176.399 174.600 -0.222 0.000 1.019 401 S CA 2.212 60.014 58.200 -0.663 0.000 0.982 401 S CB -0.931 62.021 63.200 -0.413 0.000 0.789 401 S HN 0.484 nan 8.310 nan 0.000 0.490 402 A N 1.573 124.332 122.820 -0.103 0.000 1.897 402 A HA 0.429 4.749 4.320 -0.000 0.000 0.215 402 A C 2.583 180.017 177.584 -0.249 0.000 1.181 402 A CA 1.467 53.440 52.037 -0.106 0.000 0.620 402 A CB -1.490 17.459 19.000 -0.084 0.000 0.821 402 A HN 0.948 nan 8.150 nan 0.000 0.443 403 A N -0.013 122.672 122.820 -0.225 0.000 1.940 403 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 403 A C 1.886 179.349 177.584 -0.202 0.000 1.176 403 A CA 1.767 53.677 52.037 -0.213 0.000 0.631 403 A CB -0.389 18.533 19.000 -0.130 0.000 0.814 403 A HN 0.509 nan 8.150 nan 0.000 0.446 404 E N -0.438 119.609 120.200 -0.254 0.000 2.158 404 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 404 E C 1.509 177.993 176.600 -0.193 0.000 0.982 404 E CA 1.296 57.574 56.400 -0.204 0.000 0.823 404 E CB -0.296 29.233 29.700 -0.284 0.000 0.766 404 E HN 0.779 nan 8.360 nan 0.000 0.468 405 D N 0.616 120.864 120.400 -0.255 0.000 2.162 405 D HA -0.032 4.608 4.640 -0.000 0.000 0.203 405 D C 1.955 178.162 176.300 -0.155 0.000 0.967 405 D CA 0.537 54.343 54.000 -0.323 0.000 0.840 405 D CB 0.091 40.624 40.800 -0.445 0.000 0.972 405 D HN 0.048 nan 8.370 nan 0.000 0.482 406 I N 0.008 120.465 120.570 -0.189 0.000 2.086 406 I HA -0.244 3.926 4.170 -0.000 0.000 0.233 406 I C 2.244 178.291 176.117 -0.117 0.000 1.060 406 I CA 1.292 62.478 61.300 -0.189 0.000 1.326 406 I CB -0.761 37.010 38.000 -0.382 0.000 1.067 406 I HN 0.010 nan 8.210 nan 0.000 0.398 407 T N 0.842 115.315 114.554 -0.135 0.000 2.731 407 T HA -0.331 4.019 4.350 -0.000 0.000 0.259 407 T C 1.885 176.622 174.700 0.062 0.000 1.054 407 T CA 1.950 64.085 62.100 0.057 0.000 1.158 407 T CB -0.467 68.453 68.868 0.087 0.000 0.847 407 T HN 0.320 nan 8.240 nan 0.000 0.470 408 R N 0.253 120.762 120.500 0.015 0.000 2.090 408 R HA 0.055 4.395 4.340 -0.000 0.000 0.228 408 R C 2.750 179.110 176.300 0.100 0.000 1.110 408 R CA 1.045 57.176 56.100 0.052 0.000 0.973 408 R CB -0.174 30.141 30.300 0.024 0.000 0.869 408 R HN 0.444 nan 8.270 nan 0.000 0.440 409 R N -0.050 120.496 120.500 0.077 0.000 2.093 409 R HA 0.017 4.357 4.340 -0.000 0.000 0.224 409 R C 2.157 178.525 176.300 0.114 0.000 1.101 409 R CA 0.821 56.998 56.100 0.128 0.000 0.979 409 R CB -0.347 30.015 30.300 0.104 0.000 0.877 409 R HN 0.036 nan 8.270 nan 0.000 0.441 410 M N 1.845 121.492 119.600 0.078 0.000 2.147 410 M HA -0.149 4.331 4.480 -0.000 0.000 0.253 410 M C -1.045 175.254 176.300 -0.002 0.000 1.075 410 M CA 1.881 57.227 55.300 0.077 0.000 1.085 410 M CB -1.096 31.615 32.600 0.184 0.000 1.305 410 M HN -0.105 nan 8.290 nan 0.000 0.409 411 P HA -0.161 nan 4.420 nan 0.000 0.217 411 P C 0.327 177.414 177.300 -0.355 0.000 1.148 411 P CA 1.539 64.444 63.100 -0.325 0.000 0.828 411 P CB -0.302 31.021 31.700 -0.628 0.000 0.783 412 Y N -1.501 118.791 120.300 -0.014 0.000 2.683 412 Y HA 0.464 5.014 4.550 -0.000 0.000 0.297 412 Y C 1.014 176.856 175.900 -0.097 0.000 1.147 412 Y CA -0.945 57.124 58.100 -0.052 0.000 1.274 412 Y CB -0.615 37.813 38.460 -0.053 0.000 1.143 412 Y HN -0.148 nan 8.280 nan 0.000 0.527 413 A N 0.346 123.183 122.820 0.027 0.000 2.388 413 A HA 0.227 4.547 4.320 -0.000 0.000 0.257 413 A C 0.008 177.585 177.584 -0.011 0.000 1.095 413 A CA -0.501 51.549 52.037 0.021 0.000 0.791 413 A CB 0.090 19.136 19.000 0.078 0.000 1.029 413 A HN 0.427 nan 8.150 nan 0.000 0.489 414 H N 1.620 120.721 119.070 0.052 0.000 2.929 414 H HA 0.002 4.558 4.556 -0.000 0.000 0.358 414 H C -0.303 175.043 175.328 0.030 0.000 1.111 414 H CA 0.570 56.641 56.048 0.039 0.000 1.409 414 H CB 0.522 30.304 29.762 0.034 0.000 1.373 414 H HN 0.681 nan 8.280 nan 0.000 0.610 415 D N 2.568 123.057 120.400 0.149 0.000 2.341 415 D HA 0.056 4.696 4.640 -0.000 0.000 0.245 415 D C 0.555 176.897 176.300 0.070 0.000 1.106 415 D CA -0.525 53.525 54.000 0.083 0.000 0.905 415 D CB 1.202 42.029 40.800 0.046 0.000 1.202 415 D HN 0.263 nan 8.370 nan 0.000 0.426 416 I N 0.791 121.384 120.570 0.039 0.000 2.593 416 I HA -0.049 4.121 4.170 -0.000 0.000 0.304 416 I C 1.240 177.343 176.117 -0.023 0.000 1.176 416 I CA -0.549 60.760 61.300 0.015 0.000 1.533 416 I CB -1.688 36.305 38.000 -0.011 0.000 1.492 416 I HN 0.144 nan 8.210 nan 0.000 0.704 417 S N 3.355 119.063 115.700 0.014 0.000 2.608 417 S HA 0.560 5.030 4.470 -0.000 0.000 0.261 417 S C 0.525 175.141 174.600 0.026 0.000 1.314 417 S CA -0.509 57.700 58.200 0.015 0.000 0.992 417 S CB 0.469 63.688 63.200 0.032 0.000 0.935 417 S HN 0.717 nan 8.310 nan 0.000 0.564 418 T N -0.457 114.122 114.554 0.042 0.000 2.922 418 T HA 0.673 5.023 4.350 -0.000 0.000 0.285 418 T C -0.284 174.511 174.700 0.159 0.000 1.005 418 T CA -0.941 61.224 62.100 0.108 0.000 1.061 418 T CB 0.134 69.043 68.868 0.068 0.000 1.007 418 T HN 0.589 nan 8.240 nan 0.000 0.502 419 L N 1.451 122.811 121.223 0.227 0.000 2.388 419 L HA 0.529 4.869 4.340 -0.000 0.000 0.264 419 L C -2.479 174.503 176.870 0.186 0.000 0.998 419 L CA -2.611 52.318 54.840 0.149 0.000 0.817 419 L CB 2.151 44.226 42.059 0.026 0.000 1.338 419 L HN 0.491 nan 8.230 nan 0.000 0.414 420 P HA 0.183 nan 4.420 nan 0.000 0.268 420 P C -2.524 175.038 177.300 0.436 0.000 1.205 420 P CA -0.842 62.422 63.100 0.273 0.000 0.771 420 P CB -0.167 31.702 31.700 0.282 0.000 0.858 421 P HA 0.045 nan 4.420 nan 0.000 0.276 421 P C -0.523 176.929 177.300 0.253 0.000 1.252 421 P CA -0.578 62.747 63.100 0.375 0.000 0.802 421 P CB 0.854 32.684 31.700 0.218 0.000 1.035 422 W N 2.058 123.313 121.300 -0.076 0.000 2.216 422 W HA 0.051 4.711 4.660 0.000 0.000 0.326 422 W C -0.035 176.361 176.519 -0.205 0.000 1.319 422 W CA 0.278 57.347 57.345 -0.460 0.000 1.213 422 W CB 0.504 29.684 29.460 -0.468 0.000 1.171 422 W HN 0.400 nan 8.180 nan 0.000 0.557 423 D N 5.117 125.013 120.400 -0.839 0.000 3.032 423 D HA -0.104 4.536 4.640 -0.000 0.000 0.241 423 D C 0.447 176.537 176.300 -0.350 0.000 1.196 423 D CA 0.302 54.004 54.000 -0.496 0.000 0.927 423 D CB 0.096 40.603 40.800 -0.489 0.000 1.129 423 D HN 0.321 nan 8.370 nan 0.000 0.458 424 E N -0.110 120.071 120.200 -0.031 0.000 3.624 424 E HA -0.175 4.175 4.350 -0.000 0.000 0.247 424 E C -0.108 176.530 176.600 0.063 0.000 0.869 424 E CA 0.254 56.774 56.400 0.200 0.000 0.946 424 E CB -0.836 28.982 29.700 0.197 0.000 0.880 424 E HN 0.273 nan 8.360 nan 0.000 0.578 425 S N 2.932 118.688 115.700 0.093 0.000 2.632 425 S HA 0.515 4.985 4.470 -0.000 0.000 0.267 425 S C 0.804 175.451 174.600 0.078 0.000 1.276 425 S CA -0.191 58.049 58.200 0.067 0.000 0.998 425 S CB 0.628 63.902 63.200 0.123 0.000 0.953 425 S HN 0.562 nan 8.310 nan 0.000 0.547 426 R N 0.391 120.919 120.500 0.046 0.000 2.504 426 R HA 0.287 4.627 4.340 -0.000 0.000 0.396 426 R C -1.118 175.163 176.300 -0.031 0.000 0.896 426 R CA -0.005 56.104 56.100 0.016 0.000 1.152 426 R CB 0.465 30.774 30.300 0.014 0.000 1.681 426 R HN 0.506 nan 8.270 nan 0.000 0.537 427 V N 1.551 121.444 119.914 -0.036 0.000 2.637 427 V HA 0.129 4.249 4.120 -0.000 0.000 0.296 427 V C 0.297 176.206 176.094 -0.308 0.000 1.046 427 V CA 0.509 62.745 62.300 -0.107 0.000 1.066 427 V CB 1.401 33.221 31.823 -0.004 0.000 0.968 427 V HN 0.193 nan 8.190 nan 0.000 0.483 428 E N 3.441 123.483 120.200 -0.264 0.000 2.227 428 E HA 0.478 4.828 4.350 -0.000 0.000 0.268 428 E C -0.635 175.792 176.600 -0.287 0.000 0.907 428 E CA -0.662 55.541 56.400 -0.328 0.000 0.786 428 E CB 1.566 31.155 29.700 -0.186 0.000 1.191 428 E HN 0.593 nan 8.360 nan 0.000 0.411 429 N N 3.348 121.872 118.700 -0.292 0.000 3.151 429 N HA 0.126 4.866 4.740 -0.000 0.000 0.219 429 N C -2.527 172.964 175.510 -0.033 0.000 1.434 429 N CA -1.203 51.780 53.050 -0.111 0.000 0.767 429 N CB 1.130 39.609 38.487 -0.014 0.000 1.564 429 N HN 0.153 nan 8.380 nan 0.000 0.612 430 P HA -0.151 nan 4.420 nan 0.000 0.218 430 P C 0.741 178.046 177.300 0.009 0.000 1.152 430 P CA 1.398 64.487 63.100 -0.019 0.000 0.857 430 P CB 0.548 32.238 31.700 -0.016 0.000 0.787 431 D N -1.167 119.253 120.400 0.033 0.000 2.106 431 D HA -0.127 4.513 4.640 -0.000 0.000 0.203 431 D C 1.925 178.272 176.300 0.078 0.000 0.977 431 D CA 0.767 54.795 54.000 0.047 0.000 0.844 431 D CB -0.363 40.465 40.800 0.047 0.000 1.002 431 D HN -0.082 nan 8.370 nan 0.000 0.461 432 E N 0.386 120.666 120.200 0.132 0.000 2.208 432 E HA -0.236 4.114 4.350 -0.000 0.000 0.202 432 E C 2.168 178.871 176.600 0.172 0.000 1.014 432 E CA 0.845 57.374 56.400 0.215 0.000 0.819 432 E CB -0.173 29.788 29.700 0.436 0.000 0.735 432 E HN 0.394 nan 8.360 nan 0.000 0.469 433 R N 0.049 120.619 120.500 0.118 0.000 2.189 433 R HA -0.012 4.328 4.340 -0.000 0.000 0.218 433 R C 2.362 178.635 176.300 -0.045 0.000 1.074 433 R CA 0.399 56.518 56.100 0.030 0.000 0.991 433 R CB 0.070 30.364 30.300 -0.010 0.000 0.883 433 R HN 0.020 nan 8.270 nan 0.000 0.457 434 V N 0.295 120.188 119.914 -0.035 0.000 2.453 434 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 434 V C 2.218 178.215 176.094 -0.161 0.000 1.048 434 V CA 1.320 63.553 62.300 -0.111 0.000 1.049 434 V CB -0.037 31.739 31.823 -0.078 0.000 0.672 434 V HN 0.082 nan 8.190 nan 0.000 0.457 435 V N -0.219 119.695 119.914 -0.000 0.000 2.490 435 V HA -0.255 3.865 4.120 -0.000 0.000 0.250 435 V C 2.193 178.349 176.094 0.102 0.000 1.061 435 V CA 1.893 64.272 62.300 0.132 0.000 1.064 435 V CB -0.606 31.330 31.823 0.189 0.000 0.670 435 V HN 0.440 nan 8.190 nan 0.000 0.461 436 I N -0.134 120.425 120.570 -0.020 0.000 2.264 436 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 436 I C 2.637 178.745 176.117 -0.016 0.000 1.111 436 I CA 1.646 62.887 61.300 -0.099 0.000 1.382 436 I CB -0.125 37.689 38.000 -0.311 0.000 1.060 436 I HN 0.319 nan 8.210 nan 0.000 0.418 437 Q N -0.264 119.488 119.800 -0.080 0.000 2.167 437 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 437 Q C 2.096 178.165 176.000 0.114 0.000 0.970 437 Q CA 1.583 57.338 55.803 -0.080 0.000 0.855 437 Q CB -0.113 28.523 28.738 -0.171 0.000 0.911 437 Q HN 0.506 nan 8.270 nan 0.000 0.438 438 H N -0.331 118.855 119.070 0.193 0.000 2.387 438 H HA -0.016 4.540 4.556 -0.000 0.000 0.299 438 H C 1.561 177.026 175.328 0.228 0.000 1.090 438 H CA 1.431 57.622 56.048 0.237 0.000 1.332 438 H CB -0.023 29.828 29.762 0.149 0.000 1.386 438 H HN 0.311 nan 8.280 nan 0.000 0.516 439 N N 0.063 118.949 118.700 0.309 0.000 2.188 439 N HA -0.137 4.603 4.740 -0.000 0.000 0.184 439 N C 1.814 177.434 175.510 0.183 0.000 1.018 439 N CA 0.548 53.740 53.050 0.237 0.000 0.858 439 N CB -0.527 38.102 38.487 0.237 0.000 0.989 439 N HN 0.378 nan 8.380 nan 0.000 0.426 440 W N 1.897 123.175 121.300 -0.035 0.000 2.333 440 W HA -0.156 4.504 4.660 -0.000 0.000 0.316 440 W C 2.320 178.751 176.519 -0.148 0.000 1.215 440 W CA 1.591 58.847 57.345 -0.149 0.000 1.278 440 W CB -0.503 28.799 29.460 -0.263 0.000 1.154 440 W HN 0.233 nan 8.180 nan 0.000 0.486 441 H N -0.519 118.671 119.070 0.199 0.000 2.389 441 H HA -0.117 4.439 4.556 -0.000 0.000 0.299 441 H C 2.036 177.319 175.328 -0.075 0.000 1.081 441 H CA 1.821 57.895 56.048 0.043 0.000 1.345 441 H CB -0.601 29.259 29.762 0.164 0.000 1.393 441 H HN 0.387 nan 8.280 nan 0.000 0.520 442 E N 0.573 120.847 120.200 0.122 0.000 2.051 442 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 442 E C 2.242 178.704 176.600 -0.230 0.000 0.991 442 E CA 0.659 57.088 56.400 0.048 0.000 0.799 442 E CB 0.017 29.808 29.700 0.152 0.000 0.748 442 E HN 0.145 nan 8.360 nan 0.000 0.449 443 L N 1.419 122.433 121.223 -0.348 0.000 1.989 443 L HA -0.196 4.144 4.340 -0.000 0.000 0.211 443 L C 2.331 178.700 176.870 -0.835 0.000 1.071 443 L CA 1.815 56.199 54.840 -0.760 0.000 0.749 443 L CB -0.270 41.510 42.059 -0.467 0.000 0.890 443 L HN 0.005 nan 8.230 nan 0.000 0.431 444 R N -0.981 119.171 120.500 -0.580 0.000 2.152 444 R HA -0.138 4.202 4.340 -0.000 0.000 0.232 444 R C 2.022 178.118 176.300 -0.340 0.000 1.117 444 R CA 1.347 57.145 56.100 -0.503 0.000 0.981 444 R CB -0.631 29.311 30.300 -0.595 0.000 0.870 444 R HN 0.362 nan 8.270 nan 0.000 0.451 445 L N 0.978 122.020 121.223 -0.302 0.000 2.049 445 L HA -0.059 4.281 4.340 -0.000 0.000 0.203 445 L C 1.954 178.790 176.870 -0.057 0.000 1.074 445 L CA 1.528 56.281 54.840 -0.145 0.000 0.749 445 L CB -0.878 41.137 42.059 -0.074 0.000 0.907 445 L HN 0.151 nan 8.230 nan 0.000 0.439 446 F N -1.471 118.450 119.950 -0.048 0.000 2.407 446 F HA -0.008 4.519 4.527 -0.000 0.000 0.299 446 F C 1.963 177.726 175.800 -0.062 0.000 1.097 446 F CA 0.750 58.674 58.000 -0.126 0.000 1.422 446 F CB -1.343 37.661 39.000 0.007 0.000 1.067 446 F HN 0.011 nan 8.300 nan 0.000 0.539 447 M N 0.228 119.779 119.600 -0.081 0.000 2.117 447 M HA -0.213 4.267 4.480 -0.000 0.000 0.262 447 M C 2.228 178.670 176.300 0.236 0.000 1.065 447 M CA 1.300 56.612 55.300 0.020 0.000 1.114 447 M CB -1.717 30.656 32.600 -0.378 0.000 1.361 447 M HN 0.661 nan 8.290 nan 0.000 0.408 448 W N 1.414 122.755 121.300 0.069 0.000 2.363 448 W HA -0.234 4.426 4.660 -0.000 0.000 0.296 448 W C 1.058 177.629 176.519 0.086 0.000 1.212 448 W CA 1.449 58.908 57.345 0.190 0.000 1.260 448 W CB -0.121 29.372 29.460 0.055 0.000 1.131 448 W HN 0.252 nan 8.180 nan 0.000 0.530 449 D N -1.223 119.217 120.400 0.065 0.000 2.240 449 D HA -0.077 4.563 4.640 -0.000 0.000 0.206 449 D C 1.203 177.415 176.300 -0.146 0.000 0.963 449 D CA 1.124 55.017 54.000 -0.178 0.000 0.863 449 D CB -0.332 40.194 40.800 -0.456 0.000 0.973 449 D HN 0.203 nan 8.370 nan 0.000 0.501 450 Y N -0.329 120.074 120.300 0.172 0.000 2.467 450 Y HA 0.227 4.777 4.550 -0.000 0.000 0.250 450 Y C 0.877 176.854 175.900 0.129 0.000 1.155 450 Y CA -0.226 57.950 58.100 0.127 0.000 1.249 450 Y CB 0.766 39.296 38.460 0.117 0.000 1.146 450 Y HN -0.260 nan 8.280 nan 0.000 0.524 451 V N -0.989 119.091 119.914 0.277 0.000 2.793 451 V HA 0.521 4.641 4.120 -0.000 0.000 0.361 451 V C 0.756 177.046 176.094 0.327 0.000 1.298 451 V CA -0.207 62.259 62.300 0.276 0.000 1.343 451 V CB 0.060 32.037 31.823 0.256 0.000 1.410 451 V HN 0.224 nan 8.190 nan 0.000 0.656 452 G N -0.045 108.801 108.800 0.078 0.000 2.736 452 G HA2 0.574 4.534 3.960 -0.000 0.000 0.229 452 G HA3 0.574 4.534 3.960 -0.000 0.000 0.229 452 G C 0.904 175.591 174.900 -0.356 0.000 1.380 452 G CA -0.564 44.371 45.100 -0.273 0.000 1.040 452 G HN 0.164 nan 8.290 nan 0.000 0.568 453 I N -0.689 119.367 120.570 -0.855 0.000 2.151 453 I HA -0.123 4.047 4.170 -0.000 0.000 0.243 453 I C 0.505 176.477 176.117 -0.241 0.000 1.080 453 I CA 0.993 61.926 61.300 -0.613 0.000 1.339 453 I CB -0.370 37.180 38.000 -0.750 0.000 1.039 453 I HN -0.132 nan 8.210 nan 0.000 0.409 454 V N 1.344 121.145 119.914 -0.188 0.000 2.513 454 V HA 0.431 4.551 4.120 -0.000 0.000 0.299 454 V C -0.069 176.056 176.094 0.051 0.000 1.035 454 V CA -0.687 61.621 62.300 0.014 0.000 0.889 454 V CB 1.748 33.575 31.823 0.007 0.000 0.988 454 V HN 0.173 nan 8.190 nan 0.000 0.440 455 R N 1.558 122.122 120.500 0.107 0.000 2.912 455 R HA 0.877 5.217 4.340 -0.000 0.000 0.262 455 R C -0.724 175.607 176.300 0.053 0.000 1.057 455 R CA -0.647 55.495 56.100 0.070 0.000 0.981 455 R CB 2.489 32.824 30.300 0.058 0.000 1.201 455 R HN 0.890 nan 8.270 nan 0.000 0.484 456 T N -3.042 111.549 114.554 0.061 0.000 2.894 456 T HA 0.184 4.534 4.350 -0.000 0.000 0.309 456 T C 0.737 175.467 174.700 0.050 0.000 1.208 456 T CA -0.750 61.374 62.100 0.040 0.000 1.016 456 T CB 1.776 70.656 68.868 0.021 0.000 1.192 456 T HN 0.403 nan 8.240 nan 0.000 0.491 457 T N 1.361 115.947 114.554 0.054 0.000 2.624 457 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 457 T C 1.742 176.446 174.700 0.006 0.000 1.041 457 T CA 1.875 64.013 62.100 0.062 0.000 1.159 457 T CB -0.387 68.519 68.868 0.063 0.000 0.863 457 T HN 0.679 nan 8.240 nan 0.000 0.434 458 K N 0.332 120.719 120.400 -0.022 0.000 2.147 458 K HA 0.006 4.326 4.320 -0.000 0.000 0.205 458 K C 2.620 179.146 176.600 -0.122 0.000 1.049 458 K CA 0.895 57.142 56.287 -0.067 0.000 0.936 458 K CB -0.091 32.370 32.500 -0.065 0.000 0.722 458 K HN 0.226 nan 8.250 nan 0.000 0.446 459 R N 0.629 121.082 120.500 -0.078 0.000 2.090 459 R HA -0.000 4.340 4.340 -0.000 0.000 0.228 459 R C 2.257 178.475 176.300 -0.137 0.000 1.110 459 R CA 0.841 56.858 56.100 -0.140 0.000 0.973 459 R CB -0.236 30.130 30.300 0.109 0.000 0.869 459 R HN 0.121 nan 8.270 nan 0.000 0.440 460 L N 0.710 121.922 121.223 -0.018 0.000 2.079 460 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 460 L C 2.053 178.880 176.870 -0.071 0.000 1.081 460 L CA 1.493 56.335 54.840 0.003 0.000 0.752 460 L CB -0.399 41.685 42.059 0.043 0.000 0.896 460 L HN 0.258 nan 8.230 nan 0.000 0.433 461 E N -0.178 119.957 120.200 -0.108 0.000 2.072 461 E HA -0.203 4.147 4.350 -0.000 0.000 0.191 461 E C 2.342 178.819 176.600 -0.205 0.000 0.985 461 E CA 0.838 57.163 56.400 -0.127 0.000 0.801 461 E CB -0.051 29.582 29.700 -0.111 0.000 0.750 461 E HN 0.391 nan 8.360 nan 0.000 0.452 462 R N 0.463 120.761 120.500 -0.336 0.000 2.091 462 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 462 R C 2.349 178.391 176.300 -0.431 0.000 1.136 462 R CA 1.234 57.036 56.100 -0.498 0.000 0.959 462 R CB -0.270 29.451 30.300 -0.964 0.000 0.856 462 R HN 0.123 nan 8.270 nan 0.000 0.437 463 A N 0.919 123.575 122.820 -0.274 0.000 1.873 463 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 463 A C 2.032 179.525 177.584 -0.150 0.000 1.186 463 A CA 0.999 52.953 52.037 -0.138 0.000 0.616 463 A CB -0.508 18.586 19.000 0.157 0.000 0.823 463 A HN 0.224 nan 8.150 nan 0.000 0.442 464 L N -0.142 121.021 121.223 -0.100 0.000 2.012 464 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 464 L C 2.467 179.276 176.870 -0.102 0.000 1.073 464 L CA 2.364 57.162 54.840 -0.070 0.000 0.748 464 L CB -0.687 41.334 42.059 -0.064 0.000 0.891 464 L HN 0.453 nan 8.230 nan 0.000 0.431 465 R N -0.844 119.568 120.500 -0.148 0.000 2.096 465 R HA -0.195 4.145 4.340 -0.000 0.000 0.240 465 R C 2.412 178.618 176.300 -0.157 0.000 1.139 465 R CA 2.010 58.026 56.100 -0.140 0.000 0.952 465 R CB -0.144 30.062 30.300 -0.157 0.000 0.854 465 R HN 0.361 nan 8.270 nan 0.000 0.436 466 R N -0.199 120.125 120.500 -0.293 0.000 2.092 466 R HA -0.060 4.280 4.340 -0.000 0.000 0.231 466 R C 2.310 178.579 176.300 -0.051 0.000 1.119 466 R CA 1.349 57.281 56.100 -0.281 0.000 0.970 466 R CB -0.357 29.495 30.300 -0.746 0.000 0.864 466 R HN 0.230 nan 8.270 nan 0.000 0.440 467 I N 0.535 121.105 120.570 0.001 0.000 2.091 467 I HA -0.356 3.814 4.170 -0.000 0.000 0.239 467 I C 2.105 178.251 176.117 0.049 0.000 1.061 467 I CA 1.809 63.180 61.300 0.118 0.000 1.317 467 I CB -0.509 37.552 38.000 0.101 0.000 1.031 467 I HN 0.190 nan 8.210 nan 0.000 0.401 468 T N 0.660 115.215 114.554 0.002 0.000 2.720 468 T HA -0.295 4.055 4.350 -0.000 0.000 0.268 468 T C 1.803 176.499 174.700 -0.007 0.000 1.037 468 T CA 1.937 64.032 62.100 -0.008 0.000 1.144 468 T CB -0.370 68.483 68.868 -0.025 0.000 0.864 468 T HN 0.397 nan 8.240 nan 0.000 0.444 469 M N 0.764 120.360 119.600 -0.006 0.000 2.065 469 M HA -0.074 4.406 4.480 -0.000 0.000 0.259 469 M C 2.095 178.410 176.300 0.026 0.000 1.071 469 M CA 1.721 57.023 55.300 0.003 0.000 1.109 469 M CB -0.413 32.193 32.600 0.010 0.000 1.313 469 M HN 0.175 nan 8.290 nan 0.000 0.408 470 L N 0.150 121.415 121.223 0.069 0.000 2.021 470 L HA -0.314 4.026 4.340 -0.000 0.000 0.215 470 L C 2.626 179.522 176.870 0.043 0.000 1.074 470 L CA 1.980 56.872 54.840 0.087 0.000 0.760 470 L CB -0.922 41.222 42.059 0.141 0.000 0.889 470 L HN 0.511 nan 8.230 nan 0.000 0.433 471 Q N -0.619 119.198 119.800 0.028 0.000 1.993 471 Q HA -0.282 4.058 4.340 -0.000 0.000 0.202 471 Q C 2.225 178.201 176.000 -0.041 0.000 0.984 471 Q CA 1.685 57.490 55.803 0.005 0.000 0.837 471 Q CB -0.298 28.446 28.738 0.009 0.000 0.902 471 Q HN 0.521 nan 8.270 nan 0.000 0.423 472 Q N 0.775 120.544 119.800 -0.052 0.000 2.077 472 Q HA -0.220 4.120 4.340 -0.000 0.000 0.206 472 Q C 2.090 177.993 176.000 -0.162 0.000 0.989 472 Q CA 1.487 57.232 55.803 -0.097 0.000 0.853 472 Q CB -0.046 28.641 28.738 -0.085 0.000 0.907 472 Q HN 0.374 nan 8.270 nan 0.000 0.418 473 E N 0.194 120.318 120.200 -0.125 0.000 2.097 473 E HA -0.219 4.131 4.350 -0.000 0.000 0.196 473 E C 1.985 178.412 176.600 -0.289 0.000 1.000 473 E CA 1.027 57.323 56.400 -0.174 0.000 0.804 473 E CB -0.135 29.564 29.700 -0.000 0.000 0.740 473 E HN 0.423 nan 8.360 nan 0.000 0.454 474 I N 1.119 121.578 120.570 -0.186 0.000 2.252 474 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 474 I C 1.887 177.855 176.117 -0.248 0.000 1.102 474 I CA 0.922 62.103 61.300 -0.199 0.000 1.385 474 I CB -0.166 37.859 38.000 0.043 0.000 1.064 474 I HN 0.007 nan 8.210 nan 0.000 0.414 475 D N 0.599 120.883 120.400 -0.194 0.000 2.104 475 D HA -0.253 4.387 4.640 -0.000 0.000 0.194 475 D C 1.978 178.114 176.300 -0.273 0.000 0.994 475 D CA 1.486 55.377 54.000 -0.183 0.000 0.830 475 D CB -0.152 40.555 40.800 -0.155 0.000 0.959 475 D HN 0.403 nan 8.370 nan 0.000 0.452 476 E N -0.848 119.126 120.200 -0.376 0.000 2.028 476 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 476 E C 1.731 178.033 176.600 -0.497 0.000 0.988 476 E CA 1.048 57.166 56.400 -0.471 0.000 0.799 476 E CB -0.177 29.138 29.700 -0.641 0.000 0.755 476 E HN 0.304 nan 8.360 nan 0.000 0.447 477 Y N -1.277 118.749 120.300 -0.456 0.000 2.420 477 Y HA 0.021 4.571 4.550 -0.000 0.000 0.292 477 Y C 1.463 177.058 175.900 -0.508 0.000 1.119 477 Y CA 0.865 58.657 58.100 -0.514 0.000 1.229 477 Y CB -0.120 37.850 38.460 -0.817 0.000 1.026 477 Y HN 0.201 nan 8.280 nan 0.000 0.554 478 Y N -2.252 117.872 120.300 -0.294 0.000 2.522 478 Y HA 0.272 4.822 4.550 -0.000 0.000 0.277 478 Y C 2.457 178.217 175.900 -0.233 0.000 1.104 478 Y CA -0.030 57.768 58.100 -0.503 0.000 1.260 478 Y CB -0.437 37.765 38.460 -0.430 0.000 1.151 478 Y HN -0.037 nan 8.280 nan 0.000 0.539 479 A N 1.096 123.854 122.820 -0.103 0.000 1.968 479 A HA -0.334 3.986 4.320 -0.000 0.000 0.227 479 A C 1.429 178.998 177.584 -0.025 0.000 1.381 479 A CA 2.635 54.594 52.037 -0.131 0.000 0.697 479 A CB -1.168 17.651 19.000 -0.301 0.000 0.836 479 A HN 0.562 nan 8.150 nan 0.000 0.497 480 H N -2.527 116.642 119.070 0.165 0.000 2.533 480 H HA 0.220 4.776 4.556 -0.000 0.000 0.271 480 H C -0.444 175.084 175.328 0.334 0.000 1.000 480 H CA -0.473 55.695 56.048 0.200 0.000 1.149 480 H CB -0.338 29.528 29.762 0.173 0.000 1.375 480 H HN 0.390 nan 8.280 nan 0.000 0.582 481 F N 2.281 122.324 119.950 0.154 0.000 2.467 481 F HA 0.104 4.631 4.527 -0.000 0.000 0.362 481 F C 1.443 177.270 175.800 0.045 0.000 1.090 481 F CA -1.051 57.004 58.000 0.092 0.000 1.202 481 F CB 0.334 39.358 39.000 0.040 0.000 1.113 481 F HN 0.030 nan 8.300 nan 0.000 0.541 482 R N 3.392 123.945 120.500 0.088 0.000 2.584 482 R HA 0.022 4.362 4.340 -0.000 0.000 0.315 482 R C -0.772 175.516 176.300 -0.021 0.000 0.863 482 R CA -0.272 55.844 56.100 0.026 0.000 1.139 482 R CB -0.138 30.138 30.300 -0.039 0.000 0.880 482 R HN 0.428 nan 8.270 nan 0.000 0.413 483 V N 4.577 124.445 119.914 -0.078 0.000 3.061 483 V HA 0.084 4.204 4.120 -0.000 0.000 0.306 483 V C 0.458 176.219 176.094 -0.554 0.000 1.118 483 V CA 1.342 63.450 62.300 -0.319 0.000 1.231 483 V CB 1.010 32.542 31.823 -0.485 0.000 0.956 483 V HN 1.108 nan 8.190 nan 0.000 0.499 484 S N 1.935 117.185 115.700 -0.750 0.000 2.611 484 S HA 0.310 4.780 4.470 -0.000 0.000 0.270 484 S C 0.136 174.309 174.600 -0.712 0.000 1.131 484 S CA -0.538 57.119 58.200 -0.905 0.000 0.826 484 S CB 1.123 64.118 63.200 -0.341 0.000 1.095 484 S HN 0.449 nan 8.310 nan 0.000 0.461 485 N N 1.696 120.107 118.700 -0.481 0.000 2.021 485 N HA -0.126 4.614 4.740 -0.000 0.000 0.198 485 N C 1.429 176.837 175.510 -0.170 0.000 1.041 485 N CA 2.271 55.227 53.050 -0.157 0.000 0.862 485 N CB -0.781 37.752 38.487 0.077 0.000 1.048 485 N HN 0.647 nan 8.380 nan 0.000 0.427 486 N N 0.144 118.733 118.700 -0.186 0.000 2.091 486 N HA -0.163 4.577 4.740 -0.000 0.000 0.193 486 N C 1.578 176.981 175.510 -0.178 0.000 1.021 486 N CA 0.678 53.594 53.050 -0.224 0.000 0.862 486 N CB -0.516 37.822 38.487 -0.249 0.000 1.018 486 N HN 0.245 nan 8.380 nan 0.000 0.429 487 L N 0.284 121.392 121.223 -0.192 0.000 2.179 487 L HA 0.118 4.458 4.340 -0.000 0.000 0.208 487 L C 1.851 178.652 176.870 -0.116 0.000 1.096 487 L CA 0.990 55.730 54.840 -0.168 0.000 0.779 487 L CB -0.218 41.736 42.059 -0.174 0.000 0.922 487 L HN 0.116 nan 8.230 nan 0.000 0.443 488 L N -0.771 120.362 121.223 -0.149 0.000 2.072 488 L HA -0.148 4.192 4.340 -0.000 0.000 0.205 488 L C 2.505 179.357 176.870 -0.029 0.000 1.079 488 L CA 1.386 56.164 54.840 -0.103 0.000 0.752 488 L CB -0.435 41.531 42.059 -0.155 0.000 0.906 488 L HN 0.371 nan 8.230 nan 0.000 0.436 489 E N 0.474 120.665 120.200 -0.016 0.000 2.077 489 E HA -0.282 4.068 4.350 -0.000 0.000 0.193 489 E C 2.216 178.877 176.600 0.102 0.000 0.989 489 E CA 1.216 57.650 56.400 0.056 0.000 0.800 489 E CB -0.020 29.725 29.700 0.074 0.000 0.746 489 E HN 0.269 nan 8.360 nan 0.000 0.452 490 L N 1.365 122.652 121.223 0.107 0.000 2.012 490 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 490 L C 2.300 179.215 176.870 0.075 0.000 1.073 490 L CA 1.768 56.683 54.840 0.125 0.000 0.748 490 L CB -0.301 41.815 42.059 0.095 0.000 0.891 490 L HN 0.036 nan 8.230 nan 0.000 0.431 491 R N -0.646 119.886 120.500 0.054 0.000 2.081 491 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 491 R C 2.033 178.358 176.300 0.043 0.000 1.131 491 R CA 1.427 57.561 56.100 0.057 0.000 0.960 491 R CB -0.612 29.720 30.300 0.054 0.000 0.856 491 R HN 0.467 nan 8.270 nan 0.000 0.436 492 N N 0.873 119.595 118.700 0.036 0.000 2.171 492 N HA -0.077 4.663 4.740 -0.000 0.000 0.184 492 N C 1.951 177.459 175.510 -0.003 0.000 1.021 492 N CA 0.946 54.011 53.050 0.025 0.000 0.854 492 N CB -0.239 38.267 38.487 0.031 0.000 0.994 492 N HN 0.131 nan 8.380 nan 0.000 0.426 493 L N 0.512 121.734 121.223 -0.002 0.000 1.970 493 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 493 L C 2.265 179.090 176.870 -0.074 0.000 1.071 493 L CA 1.019 55.826 54.840 -0.055 0.000 0.751 493 L CB -0.697 41.313 42.059 -0.081 0.000 0.889 493 L HN -0.038 nan 8.230 nan 0.000 0.432 494 V N -0.316 119.575 119.914 -0.039 0.000 2.250 494 V HA -0.393 3.727 4.120 -0.000 0.000 0.250 494 V C 2.489 178.560 176.094 -0.039 0.000 1.060 494 V CA 2.296 64.583 62.300 -0.022 0.000 1.030 494 V CB -0.694 31.145 31.823 0.026 0.000 0.643 494 V HN 0.521 nan 8.190 nan 0.000 0.445 495 Q N 0.231 120.010 119.800 -0.034 0.000 2.045 495 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 495 Q C 2.028 177.934 176.000 -0.156 0.000 0.991 495 Q CA 2.728 58.488 55.803 -0.071 0.000 0.851 495 Q CB -0.687 28.033 28.738 -0.029 0.000 0.911 495 Q HN 0.466 nan 8.270 nan 0.000 0.418 496 V N 0.922 120.755 119.914 -0.136 0.000 2.407 496 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 496 V C 2.348 178.339 176.094 -0.171 0.000 1.055 496 V CA 1.629 63.828 62.300 -0.169 0.000 1.049 496 V CB -1.441 30.309 31.823 -0.122 0.000 0.662 496 V HN 0.550 nan 8.190 nan 0.000 0.455 497 A N -0.304 122.431 122.820 -0.142 0.000 1.908 497 A HA -0.313 4.007 4.320 -0.000 0.000 0.218 497 A C 2.313 179.835 177.584 -0.103 0.000 1.181 497 A CA 2.171 54.133 52.037 -0.125 0.000 0.627 497 A CB -0.561 18.387 19.000 -0.087 0.000 0.818 497 A HN 0.614 nan 8.150 nan 0.000 0.445 498 E N -0.137 119.994 120.200 -0.115 0.000 2.085 498 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 498 E C 1.922 178.406 176.600 -0.194 0.000 0.994 498 E CA 1.457 57.781 56.400 -0.127 0.000 0.801 498 E CB -0.211 29.406 29.700 -0.139 0.000 0.743 498 E HN 0.683 nan 8.360 nan 0.000 0.453 499 L N 0.282 121.331 121.223 -0.291 0.000 2.156 499 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 499 L C 2.533 179.266 176.870 -0.228 0.000 1.095 499 L CA 0.426 55.059 54.840 -0.345 0.000 0.770 499 L CB -0.336 41.431 42.059 -0.487 0.000 0.914 499 L HN 0.175 nan 8.230 nan 0.000 0.439 500 I N -0.390 120.073 120.570 -0.179 0.000 2.179 500 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 500 I C 2.480 178.532 176.117 -0.108 0.000 1.088 500 I CA 1.169 62.392 61.300 -0.130 0.000 1.357 500 I CB -0.156 37.789 38.000 -0.092 0.000 1.051 500 I HN -0.012 nan 8.210 nan 0.000 0.409 501 V N 0.627 120.493 119.914 -0.080 0.000 2.358 501 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 501 V C 2.522 178.568 176.094 -0.080 0.000 1.047 501 V CA 1.758 64.030 62.300 -0.047 0.000 1.035 501 V CB -0.690 31.130 31.823 -0.005 0.000 0.658 501 V HN 0.352 nan 8.190 nan 0.000 0.452 502 R N -0.952 119.485 120.500 -0.105 0.000 2.081 502 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 502 R C 2.358 178.581 176.300 -0.129 0.000 1.131 502 R CA 1.824 57.862 56.100 -0.103 0.000 0.960 502 R CB -0.762 29.475 30.300 -0.106 0.000 0.856 502 R HN 0.469 nan 8.270 nan 0.000 0.436 503 C N 0.069 119.268 119.300 -0.168 0.000 2.429 503 C HA -0.066 4.394 4.460 -0.000 0.000 0.277 503 C C 2.927 177.751 174.990 -0.277 0.000 1.262 503 C CA 0.783 59.669 59.018 -0.220 0.000 1.733 503 C CB -0.950 26.635 27.740 -0.258 0.000 2.010 503 C HN 0.598 nan 8.230 nan 0.000 0.483 504 A N 0.101 122.775 122.820 -0.244 0.000 1.972 504 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 504 A C 2.128 179.610 177.584 -0.170 0.000 1.169 504 A CA 1.665 53.526 52.037 -0.294 0.000 0.635 504 A CB -0.533 18.416 19.000 -0.085 0.000 0.810 504 A HN 0.636 nan 8.150 nan 0.000 0.446 505 M N -1.240 118.303 119.600 -0.095 0.000 2.229 505 M HA -0.084 4.396 4.480 -0.000 0.000 0.264 505 M C 2.219 178.467 176.300 -0.087 0.000 1.063 505 M CA 1.347 56.618 55.300 -0.049 0.000 1.114 505 M CB -0.440 32.140 32.600 -0.032 0.000 1.387 505 M HN 0.399 nan 8.290 nan 0.000 0.420 506 M N -0.684 118.839 119.600 -0.129 0.000 2.296 506 M HA -0.114 4.366 4.480 -0.000 0.000 0.265 506 M C 1.084 177.281 176.300 -0.172 0.000 1.064 506 M CA 0.973 56.193 55.300 -0.133 0.000 1.109 506 M CB -0.345 32.176 32.600 -0.131 0.000 1.396 506 M HN 0.092 nan 8.290 nan 0.000 0.430 507 R N 1.983 122.350 120.500 -0.221 0.000 2.325 507 R HA 0.031 4.371 4.340 -0.000 0.000 0.323 507 R C -0.302 175.844 176.300 -0.256 0.000 1.177 507 R CA -0.127 55.846 56.100 -0.211 0.000 1.018 507 R CB 0.360 30.487 30.300 -0.288 0.000 1.070 507 R HN -0.120 nan 8.270 nan 0.000 0.495 508 K N 4.515 124.680 120.400 -0.392 0.000 3.322 508 K HA -0.010 4.310 4.320 -0.000 0.000 0.291 508 K C -0.538 175.704 176.600 -0.598 0.000 1.131 508 K CA 0.289 56.032 56.287 -0.908 0.000 1.185 508 K CB -0.627 31.471 32.500 -0.670 0.000 1.338 508 K HN 0.769 nan 8.250 nan 0.000 0.380 509 E N -2.568 117.494 120.200 -0.230 0.000 2.429 509 E HA 0.327 4.677 4.350 -0.000 0.000 0.280 509 E C -1.255 175.399 176.600 0.090 0.000 1.068 509 E CA -0.865 55.533 56.400 -0.004 0.000 0.837 509 E CB 0.658 30.370 29.700 0.019 0.000 1.357 509 E HN -0.181 nan 8.360 nan 0.000 0.455 510 S N 0.373 116.096 115.700 0.039 0.000 2.448 510 S HA 0.478 4.948 4.470 -0.000 0.000 0.320 510 S C -0.821 173.848 174.600 0.114 0.000 1.071 510 S CA -0.618 57.579 58.200 -0.007 0.000 1.113 510 S CB 0.437 63.493 63.200 -0.241 0.000 0.972 510 S HN 0.413 nan 8.310 nan 0.000 0.465 511 R N 2.346 122.996 120.500 0.250 0.000 2.604 511 R HA 0.562 4.902 4.340 -0.000 0.000 0.281 511 R C 0.885 177.369 176.300 0.306 0.000 1.020 511 R CA 0.153 56.401 56.100 0.247 0.000 0.899 511 R CB 1.111 31.551 30.300 0.233 0.000 1.205 511 R HN 0.810 nan 8.270 nan 0.000 0.450 512 G N 2.843 111.758 108.800 0.190 0.000 2.684 512 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.342 512 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.342 512 G C 0.521 175.589 174.900 0.280 0.000 1.316 512 G CA 0.776 45.971 45.100 0.158 0.000 0.994 512 G HN 0.548 nan 8.290 nan 0.000 0.541 513 L N 1.259 122.691 121.223 0.347 0.000 2.650 513 L HA 0.205 4.545 4.340 -0.000 0.000 0.235 513 L C 1.290 178.448 176.870 0.481 0.000 1.149 513 L CA 0.213 55.282 54.840 0.382 0.000 0.887 513 L CB -0.185 42.081 42.059 0.345 0.000 1.021 513 L HN 0.550 nan 8.230 nan 0.000 0.441 514 H N -0.214 119.104 119.070 0.414 0.000 2.581 514 H HA 0.189 4.745 4.556 -0.000 0.000 0.308 514 H C -1.480 174.024 175.328 0.293 0.000 1.040 514 H CA -0.713 55.503 56.048 0.279 0.000 1.231 514 H CB 0.879 30.733 29.762 0.154 0.000 1.396 514 H HN -0.023 nan 8.280 nan 0.000 0.467 515 F N 4.747 124.582 119.950 -0.192 0.000 2.434 515 F HA 0.208 4.735 4.527 -0.000 0.000 0.355 515 F C -0.636 175.000 175.800 -0.273 0.000 1.115 515 F CA -0.425 57.474 58.000 -0.168 0.000 1.010 515 F CB 1.649 40.615 39.000 -0.057 0.000 1.234 515 F HN 0.376 nan 8.300 nan 0.000 0.439 516 T N 6.601 120.838 114.554 -0.528 0.000 2.807 516 T HA 0.342 4.692 4.350 -0.000 0.000 0.279 516 T C 1.186 175.731 174.700 -0.258 0.000 0.993 516 T CA -0.639 61.291 62.100 -0.283 0.000 0.970 516 T CB 0.993 69.769 68.868 -0.154 0.000 0.950 516 T HN 0.675 nan 8.240 nan 0.000 0.441 517 L N 2.799 123.949 121.223 -0.121 0.000 2.261 517 L HA -0.042 4.298 4.340 -0.000 0.000 0.216 517 L C 1.665 178.449 176.870 -0.143 0.000 1.114 517 L CA 1.210 55.986 54.840 -0.106 0.000 0.777 517 L CB -0.160 41.885 42.059 -0.023 0.000 0.910 517 L HN 0.721 nan 8.230 nan 0.000 0.440 518 D N -1.218 119.093 120.400 -0.149 0.000 2.348 518 D HA 0.005 4.645 4.640 -0.000 0.000 0.211 518 D C -0.259 175.681 176.300 -0.599 0.000 0.998 518 D CA 0.732 54.527 54.000 -0.340 0.000 0.873 518 D CB 0.420 41.010 40.800 -0.350 0.000 0.925 518 D HN 0.316 nan 8.370 nan 0.000 0.524 519 Y N -0.796 119.431 120.300 -0.122 0.000 2.484 519 Y HA 0.243 4.793 4.550 -0.000 0.000 0.348 519 Y C -2.080 173.714 175.900 -0.176 0.000 1.103 519 Y CA -1.621 56.414 58.100 -0.107 0.000 1.317 519 Y CB 1.806 40.231 38.460 -0.057 0.000 1.096 519 Y HN -0.184 nan 8.280 nan 0.000 0.568 520 P HA -0.040 nan 4.420 nan 0.000 0.225 520 P C 0.226 177.477 177.300 -0.083 0.000 1.156 520 P CA 0.914 63.912 63.100 -0.170 0.000 0.787 520 P CB 0.643 32.272 31.700 -0.119 0.000 0.802 521 E N -0.737 119.459 120.200 -0.007 0.000 2.248 521 E HA 0.365 4.715 4.350 -0.000 0.000 0.272 521 E C -0.359 176.257 176.600 0.027 0.000 1.008 521 E CA -0.650 55.758 56.400 0.012 0.000 0.856 521 E CB 0.537 30.249 29.700 0.021 0.000 1.120 521 E HN -0.050 nan 8.360 nan 0.000 0.397 522 L N 3.463 124.699 121.223 0.022 0.000 2.349 522 L HA 0.228 4.568 4.340 -0.000 0.000 0.275 522 L C 0.040 176.916 176.870 0.010 0.000 1.115 522 L CA -0.308 54.547 54.840 0.025 0.000 0.820 522 L CB 0.363 42.434 42.059 0.021 0.000 1.135 522 L HN 0.411 nan 8.230 nan 0.000 0.445 523 L N 2.001 123.230 121.223 0.010 0.000 2.466 523 L HA 0.116 4.456 4.340 -0.000 0.000 0.257 523 L C 1.442 178.281 176.870 -0.052 0.000 1.189 523 L CA 0.064 54.899 54.840 -0.009 0.000 0.813 523 L CB 1.154 43.216 42.059 0.005 0.000 1.118 523 L HN 0.689 nan 8.230 nan 0.000 0.471 524 T N -1.207 113.269 114.554 -0.131 0.000 2.896 524 T HA -0.003 4.347 4.350 -0.000 0.000 0.263 524 T C 0.202 174.694 174.700 -0.346 0.000 1.050 524 T CA 0.936 62.865 62.100 -0.285 0.000 1.140 524 T CB -0.128 68.475 68.868 -0.443 0.000 0.877 524 T HN 0.358 nan 8.240 nan 0.000 0.457 525 H N 0.486 119.567 119.070 0.019 0.000 2.539 525 H HA 0.722 5.278 4.556 -0.000 0.000 0.332 525 H C -0.247 175.094 175.328 0.021 0.000 1.031 525 H CA -0.447 55.613 56.048 0.019 0.000 1.206 525 H CB 1.710 31.481 29.762 0.015 0.000 1.446 525 H HN 0.090 nan 8.280 nan 0.000 0.496 526 S N 1.698 117.477 115.700 0.131 0.000 2.911 526 S HA 0.898 5.368 4.470 -0.000 0.000 0.319 526 S C -0.133 174.521 174.600 0.089 0.000 1.154 526 S CA 0.019 58.276 58.200 0.094 0.000 0.857 526 S CB 2.251 65.501 63.200 0.082 0.000 1.279 526 S HN 0.925 nan 8.310 nan 0.000 0.593 527 G N 0.560 109.413 108.800 0.088 0.000 2.428 527 G HA2 0.521 4.481 3.960 -0.000 0.000 0.304 527 G HA3 0.521 4.481 3.960 -0.000 0.000 0.304 527 G C -3.404 171.560 174.900 0.106 0.000 1.303 527 G CA -0.683 44.469 45.100 0.087 0.000 0.825 527 G HN 0.576 nan 8.290 nan 0.000 0.484 528 P HA 0.350 nan 4.420 nan 0.000 0.270 528 P C -0.281 177.022 177.300 0.006 0.000 1.227 528 P CA -0.036 63.102 63.100 0.064 0.000 0.788 528 P CB 0.673 32.354 31.700 -0.031 0.000 0.926 529 S N 0.666 116.335 115.700 -0.053 0.000 2.462 529 S HA 0.542 5.012 4.470 -0.000 0.000 0.294 529 S C 0.107 174.630 174.600 -0.127 0.000 1.144 529 S CA -0.407 57.729 58.200 -0.106 0.000 1.088 529 S CB -0.011 63.079 63.200 -0.184 0.000 1.009 529 S HN 0.227 nan 8.310 nan 0.000 0.484 530 I N 3.383 123.903 120.570 -0.083 0.000 2.545 530 I HA 0.463 4.633 4.170 -0.000 0.000 0.292 530 I C -0.969 175.143 176.117 -0.009 0.000 1.040 530 I CA -0.601 60.663 61.300 -0.059 0.000 1.068 530 I CB 1.621 39.600 38.000 -0.035 0.000 1.251 530 I HN 0.313 nan 8.210 nan 0.000 0.424 531 L N 5.023 126.271 121.223 0.042 0.000 2.362 531 L HA 0.636 4.976 4.340 -0.000 0.000 0.271 531 L C -0.517 176.509 176.870 0.259 0.000 1.002 531 L CA -0.460 54.464 54.840 0.139 0.000 0.818 531 L CB 2.232 44.366 42.059 0.124 0.000 1.298 531 L HN 0.645 nan 8.230 nan 0.000 0.420 532 S N 1.416 117.246 115.700 0.217 0.000 2.541 532 S HA 0.746 5.216 4.470 -0.000 0.000 0.280 532 S C -2.570 171.973 174.600 -0.095 0.000 1.112 532 S CA -1.210 57.038 58.200 0.079 0.000 0.925 532 S CB 1.762 64.964 63.200 0.004 0.000 1.067 532 S HN 0.386 nan 8.310 nan 0.000 0.479 533 P HA 0.000 nan 4.420 nan 0.000 0.216 533 P CA 0.000 62.602 63.100 -0.830 0.000 0.800 533 P CB 0.000 30.975 31.700 -1.209 0.000 0.726