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 1mlz_1_B DATA FIRST_RESID 1 DATA SEQUENCE MTTDDLAFDQ RHILHPYTSM TSPLPVYPVV SAEGCELILS DGRRLVDGMS DATA SEQUENCE SWWAAIHGYN HPQLNAAMKS QIDAMSHVMF GGITHAPAIE LCRKLVAMTP DATA SEQUENCE QPLECVFLAD SGSVAVEVAM KMALQYWQAK GEARQRFLTF RNGYHGDTFG DATA SEQUENCE AMSVCDPDNS MHSLWKGYLP ENLFAPAPQS RMDGEWDERD MVGFARLMAA DATA SEQUENCE HRHEIAAVII EPIVQGAGGM RMYHPEWLKR IRKICDREGI LLIADEIATG DATA SEQUENCE FGRTGKLFAC EHAEIAPDIL CLGKALTGGT MTLSATLTTR EVAETISNGE DATA SEQUENCE AGCFMHGPTF MGNPLACAAA NASLAILESG DWQQQVADIE VQLREQLAPA DATA SEQUENCE RDAEMVADVR VLGAIGVVET THPVNMAALQ KFFVEQGVWI RPFGKLIYLM DATA SEQUENCE PPYIILPQQL QRLTAAVNRA VQDETFFC 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.293 176.300 -0.012 0.000 1.140 1 M CA 0.000 55.290 55.300 -0.017 0.000 0.988 1 M CB 0.000 32.589 32.600 -0.018 0.000 1.302 2 T N -0.437 114.111 114.554 -0.009 0.000 2.816 2 T HA 0.348 4.700 4.350 0.004 0.000 0.282 2 T C 1.246 175.948 174.700 0.004 0.000 0.993 2 T CA 0.271 62.369 62.100 -0.004 0.000 0.994 2 T CB 1.230 70.096 68.868 -0.003 0.000 1.025 2 T HN 0.770 nan 8.240 nan 0.000 0.529 3 T N -2.089 112.468 114.554 0.005 0.000 2.951 3 T HA -0.107 4.245 4.350 0.004 0.000 0.268 3 T C 1.495 176.210 174.700 0.026 0.000 1.073 3 T CA 1.478 63.582 62.100 0.007 0.000 1.134 3 T CB -0.701 68.168 68.868 0.002 0.000 0.884 3 T HN 0.725 nan 8.240 nan 0.000 0.479 4 D N 1.437 121.856 120.400 0.031 0.000 2.178 4 D HA -0.116 4.527 4.640 0.004 0.000 0.201 4 D C 1.712 178.066 176.300 0.091 0.000 0.980 4 D CA 1.081 55.115 54.000 0.056 0.000 0.842 4 D CB -0.377 40.448 40.800 0.041 0.000 0.948 4 D HN 0.320 nan 8.370 nan 0.000 0.472 5 D N -0.109 120.328 120.400 0.061 0.000 2.123 5 D HA -0.130 4.512 4.640 0.004 0.000 0.196 5 D C 2.210 178.587 176.300 0.130 0.000 0.992 5 D CA 0.669 54.718 54.000 0.082 0.000 0.833 5 D CB -0.268 40.552 40.800 0.032 0.000 0.954 5 D HN 0.342 nan 8.370 nan 0.000 0.455 6 L N 0.416 121.683 121.223 0.074 0.000 2.201 6 L HA -0.080 4.262 4.340 0.004 0.000 0.212 6 L C 2.453 179.361 176.870 0.063 0.000 1.105 6 L CA 0.842 55.713 54.840 0.051 0.000 0.775 6 L CB -0.381 41.675 42.059 -0.004 0.000 0.913 6 L HN -0.024 nan 8.230 nan 0.000 0.440 7 A N -0.155 122.716 122.820 0.085 0.000 1.898 7 A HA -0.198 4.124 4.320 0.004 0.000 0.214 7 A C 2.136 179.792 177.584 0.120 0.000 1.183 7 A CA 0.843 52.924 52.037 0.072 0.000 0.622 7 A CB -0.648 18.396 19.000 0.073 0.000 0.824 7 A HN 0.341 nan 8.150 nan 0.000 0.444 8 F N 1.289 121.287 119.950 0.080 0.000 2.095 8 F HA -0.220 4.309 4.527 0.004 0.000 0.298 8 F C 1.906 177.804 175.800 0.163 0.000 1.104 8 F CA 2.229 60.326 58.000 0.163 0.000 1.232 8 F CB -0.350 38.712 39.000 0.104 0.000 0.987 8 F HN 0.424 nan 8.300 nan 0.000 0.475 9 D N -0.507 120.034 120.400 0.236 0.000 2.104 9 D HA -0.297 4.345 4.640 0.004 0.000 0.194 9 D C 2.237 178.571 176.300 0.056 0.000 0.994 9 D CA 1.748 55.854 54.000 0.177 0.000 0.830 9 D CB -0.382 40.538 40.800 0.199 0.000 0.959 9 D HN 0.500 nan 8.370 nan 0.000 0.452 10 Q N -0.591 119.211 119.800 0.003 0.000 2.124 10 Q HA -0.184 4.159 4.340 0.004 0.000 0.202 10 Q C 2.125 178.056 176.000 -0.115 0.000 0.977 10 Q CA 1.155 56.930 55.803 -0.047 0.000 0.850 10 Q CB 0.024 28.730 28.738 -0.054 0.000 0.901 10 Q HN 0.100 nan 8.270 nan 0.000 0.429 11 R N -1.586 118.782 120.500 -0.219 0.000 2.223 11 R HA 0.018 4.360 4.340 0.004 0.000 0.198 11 R C 0.984 176.885 176.300 -0.665 0.000 0.984 11 R CA 0.995 56.839 56.100 -0.427 0.000 1.018 11 R CB 0.412 30.409 30.300 -0.505 0.000 0.945 11 R HN 0.350 nan 8.270 nan 0.000 0.479 12 H N -1.732 117.114 119.070 -0.374 0.000 3.622 12 H HA 0.282 4.840 4.556 0.004 0.000 0.259 12 H C -0.331 174.861 175.328 -0.226 0.000 1.145 12 H CA -0.033 55.768 56.048 -0.410 0.000 1.178 12 H CB 1.152 30.361 29.762 -0.922 0.000 1.542 12 H HN 0.021 nan 8.280 nan 0.000 0.586 13 I N 2.542 123.092 120.570 -0.034 0.000 2.354 13 I HA 0.130 4.303 4.170 0.004 0.000 0.286 13 I C -0.574 175.574 176.117 0.051 0.000 1.007 13 I CA -0.853 60.460 61.300 0.021 0.000 1.167 13 I CB 1.852 39.894 38.000 0.069 0.000 1.320 13 I HN -0.215 nan 8.210 nan 0.000 0.458 14 L N 6.968 128.189 121.223 -0.002 0.000 2.426 14 L HA 0.218 4.560 4.340 0.004 0.000 0.271 14 L C 0.435 177.280 176.870 -0.042 0.000 1.169 14 L CA 0.599 55.453 54.840 0.023 0.000 0.836 14 L CB -0.116 41.937 42.059 -0.010 0.000 1.112 14 L HN 0.466 nan 8.230 nan 0.000 0.465 15 H N 2.094 121.183 119.070 0.031 0.000 2.737 15 H HA 0.410 4.968 4.556 0.004 0.000 0.358 15 H C -2.080 173.291 175.328 0.072 0.000 1.187 15 H CA -1.892 54.198 56.048 0.069 0.000 1.221 15 H CB 1.479 31.296 29.762 0.093 0.000 1.799 15 H HN 0.370 nan 8.280 nan 0.000 0.568 16 P HA -0.019 nan 4.420 nan 0.000 0.266 16 P C -0.784 176.672 177.300 0.260 0.000 1.215 16 P CA 0.228 63.442 63.100 0.190 0.000 0.763 16 P CB -0.334 31.563 31.700 0.327 0.000 0.806 17 Y N -0.405 119.940 120.300 0.075 0.000 3.001 17 Y HA -0.228 4.325 4.550 0.004 0.000 0.207 17 Y C 0.688 176.646 175.900 0.096 0.000 1.231 17 Y CA 1.258 59.398 58.100 0.067 0.000 1.024 17 Y CB -2.242 36.227 38.460 0.015 0.000 1.267 17 Y HN 0.387 nan 8.280 nan 0.000 0.501 18 T N -0.513 114.143 114.554 0.170 0.000 2.993 18 T HA 0.499 4.851 4.350 0.004 0.000 0.312 18 T C -0.370 174.387 174.700 0.096 0.000 1.115 18 T CA -0.125 62.063 62.100 0.147 0.000 1.027 18 T CB 1.340 70.304 68.868 0.160 0.000 1.116 18 T HN 0.376 nan 8.240 nan 0.000 0.464 19 S N 4.281 120.027 115.700 0.077 0.000 2.558 19 S HA 0.155 4.627 4.470 0.004 0.000 0.288 19 S C 1.350 175.968 174.600 0.031 0.000 1.318 19 S CA -0.400 57.829 58.200 0.047 0.000 1.056 19 S CB 0.281 63.504 63.200 0.038 0.000 0.853 19 S HN 0.707 nan 8.310 nan 0.000 0.505 20 M N 3.406 123.015 119.600 0.014 0.000 2.465 20 M HA 0.050 4.532 4.480 0.004 0.000 0.249 20 M C 1.817 178.102 176.300 -0.024 0.000 1.130 20 M CA 0.867 56.163 55.300 -0.007 0.000 1.067 20 M CB -1.051 31.539 32.600 -0.016 0.000 1.394 20 M HN 0.943 nan 8.290 nan 0.000 0.483 21 T N -4.144 110.401 114.554 -0.014 0.000 3.034 21 T HA 0.096 4.448 4.350 0.004 0.000 0.248 21 T C 1.115 175.807 174.700 -0.014 0.000 1.040 21 T CA 0.266 62.355 62.100 -0.019 0.000 1.107 21 T CB 0.043 68.903 68.868 -0.013 0.000 0.932 21 T HN 0.178 nan 8.240 nan 0.000 0.474 22 S N 3.421 119.119 115.700 -0.003 0.000 2.080 22 S HA 0.493 4.966 4.470 0.004 0.000 0.162 22 S C -2.854 171.748 174.600 0.003 0.000 1.618 22 S CA -1.366 56.834 58.200 0.000 0.000 1.200 22 S CB -0.100 63.105 63.200 0.008 0.000 1.135 22 S HN 0.216 nan 8.310 nan 0.000 0.455 23 P HA 0.338 nan 4.420 nan 0.000 0.275 23 P C -0.645 176.648 177.300 -0.013 0.000 1.228 23 P CA -0.447 62.645 63.100 -0.013 0.000 0.786 23 P CB 0.677 32.356 31.700 -0.035 0.000 0.927 24 L N 3.326 124.544 121.223 -0.008 0.000 2.344 24 L HA 0.481 4.824 4.340 0.004 0.000 0.272 24 L C -1.966 174.879 176.870 -0.041 0.000 1.035 24 L CA -2.295 52.544 54.840 -0.003 0.000 0.807 24 L CB 0.708 42.787 42.059 0.034 0.000 1.237 24 L HN 0.224 nan 8.230 nan 0.000 0.442 25 P HA 0.107 nan 4.420 nan 0.000 0.268 25 P C -0.926 176.263 177.300 -0.185 0.000 1.205 25 P CA -0.248 62.754 63.100 -0.164 0.000 0.771 25 P CB 0.721 32.283 31.700 -0.231 0.000 0.858 26 V N 0.558 120.317 119.914 -0.258 0.000 2.667 26 V HA 0.545 4.667 4.120 0.004 0.000 0.308 26 V C -1.163 174.737 176.094 -0.324 0.000 1.048 26 V CA -0.940 61.253 62.300 -0.179 0.000 0.928 26 V CB 1.373 33.066 31.823 -0.216 0.000 1.004 26 V HN 0.281 nan 8.190 nan 0.000 0.444 27 Y N 3.707 123.981 120.300 -0.043 0.000 2.328 27 Y HA 0.637 5.190 4.550 0.004 0.000 0.337 27 Y C -1.959 173.854 175.900 -0.144 0.000 1.008 27 Y CA -2.389 55.660 58.100 -0.086 0.000 1.129 27 Y CB 1.369 39.772 38.460 -0.096 0.000 1.185 27 Y HN 0.560 nan 8.280 nan 0.000 0.476 28 P HA 0.177 nan 4.420 nan 0.000 0.276 28 P C -0.842 176.413 177.300 -0.075 0.000 1.243 28 P CA -0.063 63.013 63.100 -0.040 0.000 0.768 28 P CB 1.317 32.999 31.700 -0.030 0.000 0.856 29 V N 4.127 123.970 119.914 -0.118 0.000 2.483 29 V HA 0.159 4.281 4.120 0.004 0.000 0.295 29 V C 1.558 177.581 176.094 -0.119 0.000 1.035 29 V CA -0.375 61.827 62.300 -0.163 0.000 0.896 29 V CB 1.762 33.431 31.823 -0.256 0.000 0.986 29 V HN 0.487 nan 8.190 nan 0.000 0.447 30 V N 1.205 121.051 119.914 -0.113 0.000 2.690 30 V HA 0.334 4.457 4.120 0.004 0.000 0.240 30 V C 0.713 176.753 176.094 -0.089 0.000 1.078 30 V CA 1.070 63.319 62.300 -0.084 0.000 1.102 30 V CB 0.351 32.134 31.823 -0.067 0.000 0.800 30 V HN 0.853 nan 8.190 nan 0.000 0.479 31 S N -0.532 115.103 115.700 -0.109 0.000 2.794 31 S HA 0.944 5.416 4.470 0.004 0.000 0.299 31 S C -0.636 173.870 174.600 -0.157 0.000 1.179 31 S CA -0.166 57.972 58.200 -0.104 0.000 0.838 31 S CB 1.826 64.985 63.200 -0.069 0.000 1.206 31 S HN 1.848 nan 8.310 nan 0.000 0.523 32 A N 0.305 123.046 122.820 -0.131 0.000 2.604 32 A HA 0.829 5.151 4.320 0.004 0.000 0.295 32 A C -1.611 175.950 177.584 -0.040 0.000 1.067 32 A CA -0.646 51.277 52.037 -0.190 0.000 0.683 32 A CB 1.357 20.098 19.000 -0.431 0.000 1.281 32 A HN 1.278 nan 8.150 nan 0.000 0.407 33 E N 0.689 120.890 120.200 0.001 0.000 2.381 33 E HA 0.539 4.891 4.350 0.004 0.000 0.286 33 E C 0.432 177.093 176.600 0.101 0.000 0.960 33 E CA -0.544 55.897 56.400 0.068 0.000 0.793 33 E CB 0.884 30.595 29.700 0.017 0.000 1.225 33 E HN 2.337 nan 8.360 nan 0.000 0.420 34 G N 1.585 110.457 108.800 0.120 0.000 2.634 34 G HA2 -0.410 3.552 3.960 0.004 0.000 0.318 34 G HA3 -0.410 3.552 3.960 0.004 0.000 0.318 34 G C 0.621 175.634 174.900 0.189 0.000 1.207 34 G CA 0.467 45.633 45.100 0.111 0.000 0.987 34 G HN 0.825 nan 8.290 nan 0.000 0.547 35 C N 2.334 121.721 119.300 0.144 0.000 2.668 35 C HA 0.555 5.017 4.460 0.004 0.000 0.301 35 C C 0.521 175.581 174.990 0.116 0.000 1.351 35 C CA -0.089 59.031 59.018 0.170 0.000 1.757 35 C CB -1.660 26.144 27.740 0.106 0.000 2.179 35 C HN 0.440 nan 8.230 nan 0.000 0.586 36 E N 0.338 120.572 120.200 0.057 0.000 2.238 36 E HA 0.537 4.890 4.350 0.004 0.000 0.267 36 E C -1.049 175.437 176.600 -0.190 0.000 0.887 36 E CA -0.440 55.930 56.400 -0.049 0.000 0.769 36 E CB 1.827 31.503 29.700 -0.040 0.000 1.187 36 E HN 0.268 nan 8.360 nan 0.000 0.416 37 L N 2.820 123.897 121.223 -0.244 0.000 2.334 37 L HA 0.552 4.894 4.340 0.004 0.000 0.275 37 L C -0.313 176.421 176.870 -0.227 0.000 1.036 37 L CA -0.830 53.803 54.840 -0.345 0.000 0.807 37 L CB 0.906 42.700 42.059 -0.442 0.000 1.231 37 L HN 0.414 nan 8.230 nan 0.000 0.438 38 I N 3.352 123.795 120.570 -0.211 0.000 2.382 38 I HA 0.314 4.487 4.170 0.004 0.000 0.286 38 I C -0.042 175.991 176.117 -0.139 0.000 1.002 38 I CA -0.380 60.834 61.300 -0.143 0.000 1.135 38 I CB 1.582 39.518 38.000 -0.108 0.000 1.288 38 I HN 0.375 nan 8.210 nan 0.000 0.448 39 L N 4.067 125.221 121.223 -0.114 0.000 2.466 39 L HA 0.246 4.588 4.340 0.004 0.000 0.257 39 L C 1.585 178.420 176.870 -0.058 0.000 1.189 39 L CA -0.101 54.687 54.840 -0.086 0.000 0.813 39 L CB 0.826 42.858 42.059 -0.045 0.000 1.118 39 L HN 0.631 nan 8.230 nan 0.000 0.471 40 S N 0.337 116.011 115.700 -0.043 0.000 2.400 40 S HA -0.159 4.314 4.470 0.004 0.000 0.232 40 S C 1.101 175.687 174.600 -0.022 0.000 1.025 40 S CA 1.538 59.718 58.200 -0.033 0.000 0.993 40 S CB -0.353 62.832 63.200 -0.026 0.000 0.808 40 S HN 0.870 nan 8.310 nan 0.000 0.478 41 D N -0.034 120.359 120.400 -0.013 0.000 2.336 41 D HA 0.219 4.862 4.640 0.004 0.000 0.229 41 D C 1.226 177.518 176.300 -0.013 0.000 1.061 41 D CA 0.730 54.726 54.000 -0.007 0.000 0.875 41 D CB -0.620 40.184 40.800 0.008 0.000 0.904 41 D HN 0.372 nan 8.370 nan 0.000 0.525 42 G N 0.216 109.002 108.800 -0.024 0.000 2.225 42 G HA2 -0.341 3.621 3.960 0.004 0.000 0.254 42 G HA3 -0.341 3.621 3.960 0.004 0.000 0.254 42 G C 0.390 175.271 174.900 -0.032 0.000 0.988 42 G CA -0.102 44.981 45.100 -0.028 0.000 0.625 42 G HN 0.463 nan 8.290 nan 0.000 0.527 43 R N 0.756 121.239 120.500 -0.029 0.000 2.522 43 R HA 0.418 4.761 4.340 0.004 0.000 0.284 43 R C 0.535 176.803 176.300 -0.053 0.000 1.032 43 R CA 0.154 56.234 56.100 -0.033 0.000 1.049 43 R CB 0.325 30.610 30.300 -0.024 0.000 0.956 43 R HN 0.300 nan 8.270 nan 0.000 0.422 44 R N 3.408 123.878 120.500 -0.051 0.000 2.346 44 R HA 0.405 4.747 4.340 0.004 0.000 0.311 44 R C -0.651 175.613 176.300 -0.061 0.000 0.983 44 R CA -0.530 55.533 56.100 -0.061 0.000 0.880 44 R CB 1.070 31.342 30.300 -0.047 0.000 1.100 44 R HN 0.350 nan 8.270 nan 0.000 0.453 45 L N 2.602 123.780 121.223 -0.075 0.000 2.365 45 L HA 0.494 4.836 4.340 0.004 0.000 0.273 45 L C -0.338 176.510 176.870 -0.038 0.000 1.000 45 L CA -1.364 53.445 54.840 -0.053 0.000 0.819 45 L CB 2.125 44.160 42.059 -0.039 0.000 1.284 45 L HN 0.258 nan 8.230 nan 0.000 0.418 46 V N 0.954 120.857 119.914 -0.019 0.000 2.470 46 V HA 0.019 4.141 4.120 0.004 0.000 0.276 46 V C -0.031 176.077 176.094 0.024 0.000 1.040 46 V CA -0.097 62.203 62.300 -0.001 0.000 1.008 46 V CB 1.096 32.912 31.823 -0.010 0.000 0.990 46 V HN 0.671 nan 8.190 nan 0.000 0.477 47 D N 4.221 124.656 120.400 0.058 0.000 2.325 47 D HA 0.323 4.965 4.640 0.004 0.000 0.251 47 D C 0.992 177.338 176.300 0.077 0.000 1.196 47 D CA 0.271 54.341 54.000 0.117 0.000 0.866 47 D CB 1.464 42.380 40.800 0.193 0.000 1.101 47 D HN 0.599 nan 8.370 nan 0.000 0.476 48 G N 3.176 111.979 108.800 0.005 0.000 3.088 48 G HA2 -0.016 3.946 3.960 0.004 0.000 0.217 48 G HA3 -0.016 3.946 3.960 0.004 0.000 0.217 48 G C 0.940 175.804 174.900 -0.059 0.000 1.159 48 G CA -0.049 45.011 45.100 -0.067 0.000 0.760 48 G HN 0.417 nan 8.290 nan 0.000 0.550 49 M N -0.326 119.280 119.600 0.010 0.000 2.491 49 M HA 0.267 4.750 4.480 0.004 0.000 0.259 49 M C 1.440 177.823 176.300 0.139 0.000 1.163 49 M CA 0.015 55.333 55.300 0.029 0.000 1.109 49 M CB -0.220 32.362 32.600 -0.029 0.000 1.353 49 M HN 0.097 nan 8.290 nan 0.000 0.500 50 S N 1.260 117.050 115.700 0.151 0.000 3.635 50 S HA -0.142 4.331 4.470 0.004 0.000 0.328 50 S C 0.379 175.061 174.600 0.137 0.000 1.135 50 S CA 0.650 58.913 58.200 0.105 0.000 0.942 50 S CB -1.730 61.491 63.200 0.035 0.000 0.930 50 S HN 0.552 nan 8.310 nan 0.000 0.512 51 S N -0.649 115.167 115.700 0.193 0.000 3.628 51 S HA -0.205 4.267 4.470 0.004 0.000 0.373 51 S C 0.043 174.762 174.600 0.197 0.000 0.968 51 S CA 0.944 59.215 58.200 0.117 0.000 1.215 51 S CB -1.545 61.767 63.200 0.186 0.000 0.912 51 S HN 0.956 nan 8.310 nan 0.000 0.495 52 W N -0.471 120.939 121.300 0.185 0.000 5.447 52 W HA -0.224 4.438 4.660 0.003 0.000 0.421 52 W C 0.365 176.992 176.519 0.180 0.000 1.665 52 W CA 1.125 58.576 57.345 0.177 0.000 0.941 52 W CB -2.786 26.662 29.460 -0.020 0.000 2.889 52 W HN 0.975 nan 8.180 nan 0.000 1.320 53 W N -3.748 117.713 121.300 0.268 0.000 1.001 53 W HA -0.412 4.251 4.660 0.005 0.000 0.224 53 W C 1.724 178.269 176.519 0.043 0.000 0.939 53 W CA 2.008 59.449 57.345 0.159 0.000 0.362 53 W CB -2.482 27.088 29.460 0.184 0.000 1.937 53 W HN 0.356 nan 8.180 nan 0.000 1.284 54 A N 0.700 123.581 122.820 0.101 0.000 1.929 54 A HA 0.433 4.755 4.320 0.004 0.000 0.216 54 A C 1.795 179.274 177.584 -0.175 0.000 1.176 54 A CA 2.123 54.147 52.037 -0.021 0.000 0.628 54 A CB -0.859 18.146 19.000 0.009 0.000 0.816 54 A HN 0.932 nan 8.150 nan 0.000 0.444 55 A N 0.802 123.495 122.820 -0.211 0.000 3.048 55 A HA 0.432 4.754 4.320 0.004 0.000 0.264 55 A C 1.189 178.493 177.584 -0.465 0.000 1.796 55 A CA 0.115 51.910 52.037 -0.403 0.000 1.445 55 A CB -1.274 17.319 19.000 -0.677 0.000 1.074 55 A HN 0.785 nan 8.150 nan 0.000 0.621 56 I N -2.782 117.414 120.570 -0.623 0.000 2.676 56 I HA -0.075 4.097 4.170 0.004 0.000 0.259 56 I C 0.903 176.534 176.117 -0.811 0.000 1.194 56 I CA 0.989 61.715 61.300 -0.957 0.000 1.473 56 I CB -0.340 36.809 38.000 -1.419 0.000 1.096 56 I HN 0.467 nan 8.210 nan 0.000 0.443 57 H N 1.857 120.729 119.070 -0.330 0.000 2.505 57 H HA 0.455 5.013 4.556 0.004 0.000 0.289 57 H C 1.354 176.639 175.328 -0.073 0.000 1.052 57 H CA 0.323 56.278 56.048 -0.155 0.000 1.156 57 H CB -0.194 29.406 29.762 -0.269 0.000 1.507 57 H HN 0.534 nan 8.280 nan 0.000 0.548 58 G N 0.790 109.488 108.800 -0.169 0.000 2.642 58 G HA2 -0.273 3.689 3.960 0.004 0.000 0.231 58 G HA3 -0.273 3.689 3.960 0.004 0.000 0.231 58 G C -1.039 173.621 174.900 -0.400 0.000 1.338 58 G CA -0.501 44.466 45.100 -0.222 0.000 0.883 58 G HN 0.329 nan 8.290 nan 0.000 0.570 59 Y N 0.176 120.502 120.300 0.044 0.000 2.487 59 Y HA 0.643 5.195 4.550 0.004 0.000 0.337 59 Y C 1.222 177.142 175.900 0.034 0.000 1.076 59 Y CA -0.221 57.895 58.100 0.026 0.000 1.115 59 Y CB 1.612 40.066 38.460 -0.011 0.000 1.235 59 Y HN 0.722 nan 8.280 nan 0.000 0.468 60 N N 1.427 120.230 118.700 0.171 0.000 2.727 60 N HA -0.266 4.477 4.740 0.004 0.000 0.249 60 N C -0.666 174.891 175.510 0.078 0.000 1.048 60 N CA 0.446 53.556 53.050 0.099 0.000 0.714 60 N CB -1.030 37.499 38.487 0.070 0.000 0.959 60 N HN 0.737 nan 8.380 nan 0.000 0.544 61 H N 1.014 120.092 119.070 0.012 0.000 2.975 61 H HA 0.060 4.618 4.556 0.004 0.000 0.303 61 H C -1.236 174.081 175.328 -0.018 0.000 1.023 61 H CA -0.721 55.323 56.048 -0.007 0.000 1.473 61 H CB 1.170 30.917 29.762 -0.025 0.000 1.498 61 H HN 0.153 nan 8.280 nan 0.000 0.549 62 P HA -0.170 nan 4.420 nan 0.000 0.215 62 P C 1.215 178.559 177.300 0.074 0.000 1.153 62 P CA 1.306 64.391 63.100 -0.024 0.000 0.853 62 P CB 0.347 31.988 31.700 -0.098 0.000 0.788 63 Q N -0.619 119.312 119.800 0.218 0.000 2.084 63 Q HA -0.092 4.250 4.340 0.004 0.000 0.202 63 Q C 2.426 178.473 176.000 0.079 0.000 0.978 63 Q CA 1.175 57.071 55.803 0.155 0.000 0.844 63 Q CB -0.562 28.273 28.738 0.161 0.000 0.898 63 Q HN 0.285 nan 8.270 nan 0.000 0.426 64 L N 0.549 121.832 121.223 0.101 0.000 2.027 64 L HA -0.184 4.158 4.340 0.004 0.000 0.206 64 L C 1.972 178.854 176.870 0.020 0.000 1.074 64 L CA 0.795 55.639 54.840 0.007 0.000 0.745 64 L CB -0.609 41.448 42.059 -0.004 0.000 0.898 64 L HN 0.232 nan 8.230 nan 0.000 0.433 65 N N 0.657 119.383 118.700 0.043 0.000 2.069 65 N HA -0.181 4.562 4.740 0.004 0.000 0.191 65 N C 1.867 177.385 175.510 0.013 0.000 1.031 65 N CA 1.766 54.831 53.050 0.024 0.000 0.852 65 N CB -0.439 38.063 38.487 0.025 0.000 1.018 65 N HN 0.324 nan 8.380 nan 0.000 0.423 66 A N 0.600 123.429 122.820 0.016 0.000 1.898 66 A HA 0.092 4.414 4.320 0.004 0.000 0.216 66 A C 2.322 179.908 177.584 0.003 0.000 1.181 66 A CA 1.853 53.895 52.037 0.008 0.000 0.620 66 A CB -0.868 18.138 19.000 0.009 0.000 0.819 66 A HN 0.323 nan 8.150 nan 0.000 0.442 67 A N -0.596 122.224 122.820 0.001 0.000 1.877 67 A HA -0.121 4.202 4.320 0.004 0.000 0.216 67 A C 2.266 179.845 177.584 -0.007 0.000 1.186 67 A CA 1.815 53.849 52.037 -0.006 0.000 0.620 67 A CB -0.533 18.458 19.000 -0.015 0.000 0.822 67 A HN 0.514 nan 8.150 nan 0.000 0.443 68 M N -0.783 118.812 119.600 -0.008 0.000 2.117 68 M HA -0.180 4.303 4.480 0.004 0.000 0.262 68 M C 2.166 178.462 176.300 -0.007 0.000 1.065 68 M CA 1.748 57.042 55.300 -0.010 0.000 1.114 68 M CB -0.268 32.326 32.600 -0.009 0.000 1.361 68 M HN 0.341 nan 8.290 nan 0.000 0.408 69 K N -0.541 119.856 120.400 -0.004 0.000 2.057 69 K HA -0.066 4.256 4.320 0.004 0.000 0.206 69 K C 2.024 178.622 176.600 -0.004 0.000 1.050 69 K CA 1.559 57.844 56.287 -0.004 0.000 0.935 69 K CB -0.110 32.389 32.500 -0.002 0.000 0.715 69 K HN 0.232 nan 8.250 nan 0.000 0.439 70 S N 1.227 116.925 115.700 -0.003 0.000 2.382 70 S HA -0.184 4.289 4.470 0.004 0.000 0.228 70 S C 1.934 176.531 174.600 -0.005 0.000 1.027 70 S CA 1.200 59.398 58.200 -0.003 0.000 0.991 70 S CB -0.171 63.028 63.200 -0.001 0.000 0.823 70 S HN 0.236 nan 8.310 nan 0.000 0.469 71 Q N 1.363 121.158 119.800 -0.008 0.000 2.119 71 Q HA 0.097 4.439 4.340 0.004 0.000 0.201 71 Q C 1.819 177.811 176.000 -0.015 0.000 0.972 71 Q CA 1.265 57.059 55.803 -0.014 0.000 0.847 71 Q CB -0.551 28.175 28.738 -0.019 0.000 0.903 71 Q HN 0.583 nan 8.270 nan 0.000 0.433 72 I N 0.577 121.142 120.570 -0.009 0.000 2.286 72 I HA -0.276 3.896 4.170 0.004 0.000 0.248 72 I C 1.353 177.468 176.117 -0.004 0.000 1.115 72 I CA 1.315 62.612 61.300 -0.005 0.000 1.392 72 I CB -0.242 37.756 38.000 -0.004 0.000 1.065 72 I HN 0.188 nan 8.210 nan 0.000 0.418 73 D N 0.809 121.207 120.400 -0.004 0.000 2.178 73 D HA -0.104 4.538 4.640 0.004 0.000 0.202 73 D C 2.156 178.454 176.300 -0.005 0.000 0.974 73 D CA 1.408 55.406 54.000 -0.003 0.000 0.841 73 D CB -0.002 40.797 40.800 -0.002 0.000 0.953 73 D HN 0.375 nan 8.370 nan 0.000 0.478 74 A N 0.543 123.358 122.820 -0.008 0.000 1.843 74 A HA 0.178 4.500 4.320 0.004 0.000 0.213 74 A C 1.100 178.674 177.584 -0.017 0.000 1.202 74 A CA 1.156 53.186 52.037 -0.011 0.000 0.607 74 A CB -0.032 18.961 19.000 -0.013 0.000 0.847 74 A HN 0.339 nan 8.150 nan 0.000 0.445 75 M N -3.486 116.099 119.600 -0.025 0.000 2.363 75 M HA 0.307 4.789 4.480 0.004 0.000 0.256 75 M C -0.055 176.229 176.300 -0.026 0.000 1.005 75 M CA 0.092 55.376 55.300 -0.026 0.000 0.890 75 M CB 1.015 33.584 32.600 -0.050 0.000 2.101 75 M HN -0.057 nan 8.290 nan 0.000 0.476 76 S N 0.623 116.331 115.700 0.013 0.000 2.368 76 S HA -0.003 4.470 4.470 0.004 0.000 0.224 76 S C 0.187 174.844 174.600 0.096 0.000 1.029 76 S CA 1.693 59.916 58.200 0.038 0.000 0.988 76 S CB -0.020 63.213 63.200 0.055 0.000 0.838 76 S HN 0.868 nan 8.310 nan 0.000 0.462 77 H N -1.224 117.844 119.070 -0.005 0.000 2.996 77 H HA 0.689 5.248 4.556 0.004 0.000 0.368 77 H C -1.487 173.842 175.328 0.001 0.000 1.185 77 H CA -0.388 55.670 56.048 0.017 0.000 1.160 77 H CB 1.836 31.683 29.762 0.143 0.000 1.820 77 H HN 0.045 nan 8.280 nan 0.000 0.547 78 V N 5.711 125.111 119.914 -0.857 0.000 3.048 78 V HA 0.348 4.470 4.120 0.004 0.000 0.303 78 V C -0.337 175.340 176.094 -0.696 0.000 1.214 78 V CA -0.912 61.038 62.300 -0.583 0.000 0.984 78 V CB 1.918 33.609 31.823 -0.221 0.000 1.054 78 V HN 1.016 nan 8.190 nan 0.000 0.430 79 M N 3.571 122.991 119.600 -0.299 0.000 2.240 79 M HA 0.328 4.811 4.480 0.004 0.000 0.317 79 M C -0.161 176.212 176.300 0.121 0.000 1.087 79 M CA 0.680 55.944 55.300 -0.060 0.000 1.176 79 M CB 0.130 32.725 32.600 -0.008 0.000 1.439 79 M HN 0.596 nan 8.290 nan 0.000 0.452 80 F N 0.623 120.559 119.950 -0.024 0.000 2.695 80 F HA 0.446 4.975 4.527 0.004 0.000 0.303 80 F C 0.883 176.667 175.800 -0.027 0.000 1.091 80 F CA -0.823 57.171 58.000 -0.011 0.000 1.300 80 F CB 0.202 39.201 39.000 -0.001 0.000 1.071 80 F HN 0.747 nan 8.300 nan 0.000 0.578 81 G N -0.452 108.368 108.800 0.035 0.000 2.356 81 G HA2 0.426 4.388 3.960 0.004 0.000 0.300 81 G HA3 0.426 4.388 3.960 0.004 0.000 0.300 81 G C 0.972 175.831 174.900 -0.069 0.000 1.107 81 G CA 0.072 45.151 45.100 -0.035 0.000 0.960 81 G HN 0.642 nan 8.290 nan 0.000 0.418 82 G N 1.468 110.198 108.800 -0.116 0.000 2.162 82 G HA2 -0.260 3.702 3.960 0.004 0.000 0.260 82 G HA3 -0.260 3.702 3.960 0.004 0.000 0.260 82 G C 0.225 175.059 174.900 -0.110 0.000 0.976 82 G CA 0.595 45.635 45.100 -0.099 0.000 0.655 82 G HN 0.793 nan 8.290 nan 0.000 0.533 83 I N -0.614 119.862 120.570 -0.157 0.000 2.865 83 I HA 0.685 4.858 4.170 0.004 0.000 0.302 83 I C -0.064 175.919 176.117 -0.223 0.000 1.140 83 I CA -0.695 60.537 61.300 -0.113 0.000 1.021 83 I CB 2.640 40.633 38.000 -0.011 0.000 1.233 83 I HN 0.123 nan 8.210 nan 0.000 0.427 84 T N 2.238 116.717 114.554 -0.124 0.000 2.841 84 T HA 0.745 5.098 4.350 0.004 0.000 0.296 84 T C -1.752 172.969 174.700 0.036 0.000 1.166 84 T CA -0.461 61.544 62.100 -0.159 0.000 1.007 84 T CB 1.378 70.105 68.868 -0.235 0.000 1.253 84 T HN 0.836 nan 8.240 nan 0.000 0.511 85 H N -1.010 118.136 119.070 0.126 0.000 3.042 85 H HA 0.772 5.330 4.556 0.004 0.000 0.346 85 H C 0.753 176.129 175.328 0.080 0.000 1.294 85 H CA -0.348 55.752 56.048 0.087 0.000 1.141 85 H CB 0.774 30.586 29.762 0.084 0.000 1.872 85 H HN 0.609 nan 8.280 nan 0.000 0.541 86 A N 0.916 123.864 122.820 0.215 0.000 1.883 86 A HA -0.027 4.295 4.320 0.004 0.000 0.217 86 A C -0.586 177.093 177.584 0.159 0.000 1.186 86 A CA 1.998 54.116 52.037 0.135 0.000 0.624 86 A CB -1.845 17.210 19.000 0.092 0.000 0.822 86 A HN 0.695 nan 8.150 nan 0.000 0.444 87 P HA -0.166 nan 4.420 nan 0.000 0.216 87 P C 1.737 179.140 177.300 0.172 0.000 1.153 87 P CA 2.118 65.330 63.100 0.187 0.000 0.858 87 P CB -0.132 31.669 31.700 0.169 0.000 0.789 88 A N -1.008 121.937 122.820 0.209 0.000 1.898 88 A HA -0.149 4.173 4.320 0.004 0.000 0.216 88 A C 2.241 179.838 177.584 0.022 0.000 1.181 88 A CA 1.345 53.385 52.037 0.006 0.000 0.620 88 A CB -1.555 17.278 19.000 -0.279 0.000 0.819 88 A HN 0.092 nan 8.150 nan 0.000 0.442 89 I N -0.790 119.791 120.570 0.018 0.000 2.179 89 I HA -0.261 3.911 4.170 0.004 0.000 0.242 89 I C 2.557 178.696 176.117 0.036 0.000 1.088 89 I CA 1.773 63.088 61.300 0.024 0.000 1.357 89 I CB -0.352 37.657 38.000 0.015 0.000 1.051 89 I HN 0.471 nan 8.210 nan 0.000 0.409 90 E N 0.720 120.947 120.200 0.045 0.000 2.049 90 E HA -0.306 4.047 4.350 0.004 0.000 0.198 90 E C 2.138 178.764 176.600 0.043 0.000 1.007 90 E CA 1.733 58.159 56.400 0.043 0.000 0.809 90 E CB -0.117 29.611 29.700 0.046 0.000 0.749 90 E HN 0.304 nan 8.360 nan 0.000 0.450 91 L N 0.188 121.438 121.223 0.044 0.000 2.056 91 L HA -0.144 4.198 4.340 0.004 0.000 0.207 91 L C 2.167 179.068 176.870 0.052 0.000 1.078 91 L CA 1.648 56.513 54.840 0.042 0.000 0.749 91 L CB -0.506 41.572 42.059 0.032 0.000 0.901 91 L HN 0.276 nan 8.230 nan 0.000 0.433 92 C N -0.355 118.973 119.300 0.047 0.000 2.435 92 C HA -0.046 4.417 4.460 0.004 0.000 0.279 92 C C 2.779 177.798 174.990 0.048 0.000 1.321 92 C CA 0.443 59.491 59.018 0.049 0.000 1.752 92 C CB -1.053 26.714 27.740 0.046 0.000 1.959 92 C HN 0.506 nan 8.230 nan 0.000 0.500 93 R N 1.124 121.650 120.500 0.044 0.000 2.073 93 R HA -0.128 4.214 4.340 0.004 0.000 0.234 93 R C 2.239 178.572 176.300 0.055 0.000 1.134 93 R CA 1.349 57.475 56.100 0.043 0.000 0.952 93 R CB -0.232 30.091 30.300 0.038 0.000 0.850 93 R HN 0.597 nan 8.270 nan 0.000 0.433 94 K N 0.509 120.948 120.400 0.065 0.000 2.057 94 K HA -0.075 4.248 4.320 0.004 0.000 0.206 94 K C 2.197 178.868 176.600 0.119 0.000 1.050 94 K CA 1.023 57.363 56.287 0.088 0.000 0.935 94 K CB -0.124 32.428 32.500 0.086 0.000 0.715 94 K HN 0.128 nan 8.250 nan 0.000 0.439 95 L N 0.686 121.980 121.223 0.117 0.000 2.017 95 L HA -0.208 4.134 4.340 0.004 0.000 0.208 95 L C 2.389 179.309 176.870 0.084 0.000 1.073 95 L CA 1.052 55.974 54.840 0.138 0.000 0.745 95 L CB -0.549 41.581 42.059 0.119 0.000 0.894 95 L HN 0.005 nan 8.230 nan 0.000 0.432 96 V N 0.072 120.020 119.914 0.056 0.000 2.295 96 V HA -0.291 3.832 4.120 0.004 0.000 0.246 96 V C 2.734 178.850 176.094 0.038 0.000 1.049 96 V CA 1.887 64.205 62.300 0.029 0.000 1.024 96 V CB -0.878 30.959 31.823 0.024 0.000 0.648 96 V HN 0.489 nan 8.190 nan 0.000 0.447 97 A N 0.644 123.498 122.820 0.057 0.000 1.972 97 A HA -0.209 4.113 4.320 0.004 0.000 0.219 97 A C 2.235 179.872 177.584 0.088 0.000 1.169 97 A CA 2.169 54.243 52.037 0.063 0.000 0.635 97 A CB -0.476 18.562 19.000 0.064 0.000 0.810 97 A HN 0.685 nan 8.150 nan 0.000 0.446 98 M N -0.617 119.061 119.600 0.130 0.000 2.541 98 M HA 0.087 4.570 4.480 0.004 0.000 0.252 98 M C 0.605 177.049 176.300 0.240 0.000 1.125 98 M CA 1.074 56.495 55.300 0.203 0.000 1.091 98 M CB -0.592 32.172 32.600 0.274 0.000 1.420 98 M HN 0.305 nan 8.290 nan 0.000 0.486 99 T N -1.008 113.599 114.554 0.088 0.000 2.948 99 T HA 0.613 4.965 4.350 0.004 0.000 0.285 99 T C -2.755 171.916 174.700 -0.048 0.000 1.019 99 T CA -1.903 60.148 62.100 -0.082 0.000 1.013 99 T CB 0.697 69.401 68.868 -0.273 0.000 1.117 99 T HN -0.042 nan 8.240 nan 0.000 0.533 100 P HA -0.049 nan 4.420 nan 0.000 0.261 100 P C 1.049 178.323 177.300 -0.043 0.000 1.158 100 P CA 0.219 63.288 63.100 -0.051 0.000 0.758 100 P CB 0.374 32.030 31.700 -0.073 0.000 0.763 101 Q N 5.470 125.258 119.800 -0.021 0.000 2.133 101 Q HA -0.191 4.151 4.340 0.004 0.000 0.208 101 Q C -0.682 175.303 176.000 -0.025 0.000 0.991 101 Q CA 2.468 58.263 55.803 -0.015 0.000 0.867 101 Q CB -1.577 27.157 28.738 -0.007 0.000 0.911 101 Q HN 0.448 nan 8.270 nan 0.000 0.417 102 P HA -0.070 nan 4.420 nan 0.000 0.222 102 P C 0.076 177.344 177.300 -0.052 0.000 1.147 102 P CA 0.702 63.778 63.100 -0.039 0.000 0.790 102 P CB -0.139 31.535 31.700 -0.043 0.000 0.780 103 L N 1.463 122.649 121.223 -0.063 0.000 2.295 103 L HA 0.172 4.514 4.340 0.004 0.000 0.288 103 L C 1.310 178.148 176.870 -0.054 0.000 1.079 103 L CA 0.074 54.868 54.840 -0.077 0.000 0.830 103 L CB 0.181 42.172 42.059 -0.112 0.000 1.200 103 L HN 0.058 nan 8.230 nan 0.000 0.438 104 E N 0.751 120.925 120.200 -0.043 0.000 2.753 104 E HA 0.171 4.524 4.350 0.004 0.000 0.218 104 E C -0.492 176.099 176.600 -0.014 0.000 0.956 104 E CA -0.349 56.037 56.400 -0.023 0.000 1.244 104 E CB 0.467 30.157 29.700 -0.017 0.000 1.114 104 E HN 0.397 nan 8.360 nan 0.000 0.530 105 C N 1.526 120.813 119.300 -0.020 0.000 2.379 105 C HA 0.684 5.146 4.460 0.004 0.000 0.323 105 C C -0.100 174.899 174.990 0.015 0.000 1.262 105 C CA -0.656 58.360 59.018 -0.003 0.000 1.581 105 C CB 1.203 28.933 27.740 -0.017 0.000 2.221 105 C HN 0.235 nan 8.230 nan 0.000 0.497 106 V N 3.407 123.349 119.914 0.048 0.000 2.448 106 V HA 0.451 4.573 4.120 0.004 0.000 0.295 106 V C -0.704 175.475 176.094 0.142 0.000 1.025 106 V CA -0.401 61.945 62.300 0.077 0.000 0.859 106 V CB 1.460 33.319 31.823 0.060 0.000 0.988 106 V HN 0.730 nan 8.190 nan 0.000 0.431 107 F N 5.876 125.842 119.950 0.027 0.000 2.382 107 F HA 0.626 5.155 4.527 0.004 0.000 0.361 107 F C -0.286 175.558 175.800 0.072 0.000 1.109 107 F CA -0.665 57.383 58.000 0.079 0.000 1.031 107 F CB 0.797 39.841 39.000 0.074 0.000 1.234 107 F HN 0.339 nan 8.300 nan 0.000 0.445 108 L N 5.932 127.081 121.223 -0.124 0.000 2.397 108 L HA 0.675 5.018 4.340 0.004 0.000 0.271 108 L C 0.308 177.177 176.870 -0.001 0.000 1.148 108 L CA -0.160 54.649 54.840 -0.051 0.000 0.825 108 L CB 0.829 42.791 42.059 -0.162 0.000 1.117 108 L HN 0.792 nan 8.230 nan 0.000 0.456 109 A N 1.594 124.487 122.820 0.122 0.000 2.583 109 A HA 0.533 4.855 4.320 0.004 0.000 0.299 109 A C -0.452 177.200 177.584 0.113 0.000 1.258 109 A CA -0.313 51.834 52.037 0.184 0.000 0.682 109 A CB 0.806 19.997 19.000 0.318 0.000 1.332 109 A HN 0.710 nan 8.150 nan 0.000 0.485 110 D N -0.186 120.287 120.400 0.123 0.000 2.259 110 D HA 0.213 4.855 4.640 0.004 0.000 0.216 110 D C 0.899 177.228 176.300 0.048 0.000 0.961 110 D CA 1.247 55.291 54.000 0.074 0.000 0.878 110 D CB -0.037 40.811 40.800 0.080 0.000 1.009 110 D HN 0.662 nan 8.370 nan 0.000 0.490 111 S N -1.594 114.141 115.700 0.058 0.000 2.627 111 S HA 0.599 5.071 4.470 0.004 0.000 0.283 111 S C 1.225 175.850 174.600 0.042 0.000 1.127 111 S CA -0.499 57.725 58.200 0.039 0.000 0.863 111 S CB 1.562 64.778 63.200 0.027 0.000 1.121 111 S HN 0.068 nan 8.310 nan 0.000 0.479 112 G N 1.246 110.065 108.800 0.031 0.000 2.418 112 G HA2 -0.113 3.850 3.960 0.004 0.000 0.217 112 G HA3 -0.113 3.850 3.960 0.004 0.000 0.217 112 G C 1.306 176.208 174.900 0.004 0.000 1.158 112 G CA 1.084 46.201 45.100 0.027 0.000 0.771 112 G HN 0.735 nan 8.290 nan 0.000 0.545 113 S N -0.108 115.586 115.700 -0.009 0.000 2.382 113 S HA -0.107 4.365 4.470 0.004 0.000 0.228 113 S C 2.481 177.067 174.600 -0.024 0.000 1.027 113 S CA 1.172 59.350 58.200 -0.035 0.000 0.991 113 S CB -0.200 62.977 63.200 -0.038 0.000 0.823 113 S HN 0.189 nan 8.310 nan 0.000 0.469 114 V N 1.804 121.723 119.914 0.008 0.000 2.427 114 V HA -0.131 3.991 4.120 0.004 0.000 0.248 114 V C 2.599 178.676 176.094 -0.028 0.000 1.051 114 V CA 1.494 63.806 62.300 0.020 0.000 1.048 114 V CB -1.150 30.728 31.823 0.091 0.000 0.666 114 V HN 0.527 nan 8.190 nan 0.000 0.456 115 A N -0.148 122.672 122.820 0.000 0.000 1.933 115 A HA -0.164 4.158 4.320 0.004 0.000 0.218 115 A C 2.398 179.941 177.584 -0.067 0.000 1.175 115 A CA 2.085 54.116 52.037 -0.009 0.000 0.628 115 A CB -0.636 18.383 19.000 0.032 0.000 0.814 115 A HN 0.336 nan 8.150 nan 0.000 0.444 116 V N 0.337 120.210 119.914 -0.068 0.000 2.358 116 V HA -0.217 3.905 4.120 0.004 0.000 0.246 116 V C 2.524 178.534 176.094 -0.140 0.000 1.047 116 V CA 2.073 64.306 62.300 -0.111 0.000 1.035 116 V CB -0.705 31.055 31.823 -0.104 0.000 0.658 116 V HN 0.561 nan 8.190 nan 0.000 0.452 117 E N -0.018 120.114 120.200 -0.113 0.000 2.085 117 E HA -0.183 4.170 4.350 0.004 0.000 0.194 117 E C 2.333 178.857 176.600 -0.128 0.000 0.994 117 E CA 1.418 57.760 56.400 -0.098 0.000 0.801 117 E CB -0.423 29.258 29.700 -0.031 0.000 0.743 117 E HN 0.478 nan 8.360 nan 0.000 0.453 118 V N 1.659 121.441 119.914 -0.220 0.000 2.343 118 V HA -0.264 3.859 4.120 0.004 0.000 0.247 118 V C 2.461 178.479 176.094 -0.126 0.000 1.051 118 V CA 1.862 64.008 62.300 -0.256 0.000 1.036 118 V CB -0.776 30.787 31.823 -0.433 0.000 0.654 118 V HN 0.270 nan 8.190 nan 0.000 0.451 119 A N -0.838 121.897 122.820 -0.142 0.000 1.933 119 A HA -0.210 4.112 4.320 0.004 0.000 0.218 119 A C 2.218 179.773 177.584 -0.047 0.000 1.175 119 A CA 2.090 54.050 52.037 -0.128 0.000 0.628 119 A CB -0.426 18.499 19.000 -0.125 0.000 0.814 119 A HN 0.511 nan 8.150 nan 0.000 0.444 120 M N -0.850 118.719 119.600 -0.052 0.000 2.156 120 M HA -0.119 4.363 4.480 0.004 0.000 0.264 120 M C 2.115 178.547 176.300 0.220 0.000 1.067 120 M CA 1.597 56.917 55.300 0.034 0.000 1.131 120 M CB -0.307 32.122 32.600 -0.284 0.000 1.368 120 M HN 0.291 nan 8.290 nan 0.000 0.416 121 K N 0.227 120.723 120.400 0.160 0.000 2.057 121 K HA -0.083 4.240 4.320 0.004 0.000 0.207 121 K C 1.911 178.703 176.600 0.320 0.000 1.049 121 K CA 1.382 57.820 56.287 0.252 0.000 0.931 121 K CB -0.187 32.458 32.500 0.241 0.000 0.714 121 K HN 0.321 nan 8.250 nan 0.000 0.440 122 M N 0.330 120.043 119.600 0.189 0.000 2.108 122 M HA -0.199 4.284 4.480 0.004 0.000 0.261 122 M C 2.413 178.727 176.300 0.025 0.000 1.066 122 M CA 1.713 56.971 55.300 -0.070 0.000 1.107 122 M CB -0.366 32.001 32.600 -0.387 0.000 1.356 122 M HN 0.241 nan 8.290 nan 0.000 0.406 123 A N 0.427 123.304 122.820 0.094 0.000 1.873 123 A HA -0.087 4.235 4.320 0.004 0.000 0.215 123 A C 2.087 179.827 177.584 0.260 0.000 1.186 123 A CA 1.219 53.343 52.037 0.146 0.000 0.616 123 A CB -0.844 18.313 19.000 0.262 0.000 0.823 123 A HN 0.423 nan 8.150 nan 0.000 0.442 124 L N -0.909 120.480 121.223 0.277 0.000 1.989 124 L HA -0.270 4.072 4.340 0.004 0.000 0.211 124 L C 2.946 179.947 176.870 0.218 0.000 1.071 124 L CA 1.835 56.825 54.840 0.249 0.000 0.749 124 L CB -0.684 41.512 42.059 0.228 0.000 0.890 124 L HN 0.475 nan 8.230 nan 0.000 0.431 125 Q N -1.171 118.746 119.800 0.196 0.000 2.124 125 Q HA -0.263 4.079 4.340 0.004 0.000 0.202 125 Q C 2.127 178.189 176.000 0.103 0.000 0.977 125 Q CA 1.843 57.741 55.803 0.158 0.000 0.850 125 Q CB -0.232 28.634 28.738 0.212 0.000 0.901 125 Q HN 0.452 nan 8.270 nan 0.000 0.429 126 Y N -0.470 119.776 120.300 -0.090 0.000 2.128 126 Y HA -0.293 4.260 4.550 0.004 0.000 0.284 126 Y C 1.474 177.189 175.900 -0.308 0.000 1.154 126 Y CA 1.922 59.851 58.100 -0.285 0.000 1.149 126 Y CB -0.496 37.659 38.460 -0.509 0.000 0.976 126 Y HN 0.146 nan 8.280 nan 0.000 0.505 127 W N 0.159 121.484 121.300 0.041 0.000 2.418 127 W HA -0.131 4.531 4.660 0.004 0.000 0.292 127 W C 2.636 179.108 176.519 -0.078 0.000 1.213 127 W CA 0.872 58.178 57.345 -0.064 0.000 1.283 127 W CB -0.515 28.950 29.460 0.009 0.000 1.119 127 W HN 0.039 nan 8.180 nan 0.000 0.542 128 Q N 0.985 120.891 119.800 0.177 0.000 2.181 128 Q HA -0.192 4.151 4.340 0.004 0.000 0.205 128 Q C 2.083 178.101 176.000 0.030 0.000 0.980 128 Q CA 1.921 57.781 55.803 0.094 0.000 0.862 128 Q CB -0.331 28.457 28.738 0.085 0.000 0.905 128 Q HN 0.325 nan 8.270 nan 0.000 0.429 129 A N 0.371 123.172 122.820 -0.031 0.000 2.021 129 A HA -0.042 4.281 4.320 0.004 0.000 0.216 129 A C 1.764 179.283 177.584 -0.108 0.000 1.163 129 A CA 0.692 52.683 52.037 -0.077 0.000 0.676 129 A CB -0.028 18.903 19.000 -0.115 0.000 0.818 129 A HN 0.259 nan 8.150 nan 0.000 0.453 130 K N -0.884 119.430 120.400 -0.142 0.000 2.444 130 K HA 0.204 4.527 4.320 0.004 0.000 0.193 130 K C 0.941 177.547 176.600 0.009 0.000 1.024 130 K CA 0.479 56.704 56.287 -0.103 0.000 1.077 130 K CB 0.035 32.440 32.500 -0.159 0.000 0.833 130 K HN 0.603 nan 8.250 nan 0.000 0.517 131 G N 2.150 110.965 108.800 0.025 0.000 2.143 131 G HA2 -0.277 3.685 3.960 0.004 0.000 0.248 131 G HA3 -0.277 3.685 3.960 0.004 0.000 0.248 131 G C -0.327 174.604 174.900 0.052 0.000 0.991 131 G CA 0.111 45.231 45.100 0.033 0.000 0.689 131 G HN 0.402 nan 8.290 nan 0.000 0.522 132 E N -0.328 119.932 120.200 0.099 0.000 2.222 132 E HA 0.640 4.993 4.350 0.004 0.000 0.272 132 E C 0.431 177.043 176.600 0.021 0.000 0.982 132 E CA -0.227 56.209 56.400 0.061 0.000 0.842 132 E CB 1.385 31.131 29.700 0.078 0.000 1.144 132 E HN 0.532 nan 8.360 nan 0.000 0.397 133 A N 3.716 126.509 122.820 -0.043 0.000 3.015 133 A HA 0.224 4.547 4.320 0.004 0.000 0.293 133 A C -0.296 177.196 177.584 -0.153 0.000 1.572 133 A CA -0.247 51.751 52.037 -0.066 0.000 1.274 133 A CB -0.284 18.685 19.000 -0.051 0.000 1.156 133 A HN 0.452 nan 8.150 nan 0.000 0.562 134 R N 1.180 121.567 120.500 -0.189 0.000 2.358 134 R HA 0.370 4.712 4.340 0.004 0.000 0.309 134 R C -0.327 175.837 176.300 -0.227 0.000 1.026 134 R CA -0.129 55.770 56.100 -0.334 0.000 0.909 134 R CB 1.120 30.983 30.300 -0.728 0.000 1.153 134 R HN 0.701 nan 8.270 nan 0.000 0.515 135 Q N 1.273 120.937 119.800 -0.225 0.000 2.103 135 Q HA 0.196 4.538 4.340 0.004 0.000 0.219 135 Q C -0.111 175.745 176.000 -0.240 0.000 0.784 135 Q CA -0.027 55.671 55.803 -0.175 0.000 1.014 135 Q CB 1.254 29.950 28.738 -0.069 0.000 1.183 135 Q HN 0.300 nan 8.270 nan 0.000 0.469 136 R N -0.179 120.123 120.500 -0.331 0.000 2.720 136 R HA 0.526 4.868 4.340 0.004 0.000 0.272 136 R C -0.956 175.048 176.300 -0.493 0.000 0.991 136 R CA -0.398 55.545 56.100 -0.262 0.000 1.010 136 R CB 1.175 31.372 30.300 -0.173 0.000 1.141 136 R HN -0.124 nan 8.270 nan 0.000 0.494 137 F N 1.092 120.975 119.950 -0.112 0.000 2.522 137 F HA 0.392 4.921 4.527 0.004 0.000 0.324 137 F C -0.314 175.380 175.800 -0.177 0.000 1.077 137 F CA -1.061 56.868 58.000 -0.119 0.000 0.944 137 F CB 1.485 40.416 39.000 -0.115 0.000 1.175 137 F HN 0.146 nan 8.300 nan 0.000 0.468 138 L N 2.510 123.755 121.223 0.037 0.000 2.305 138 L HA 0.699 5.042 4.340 0.004 0.000 0.284 138 L C -0.341 176.588 176.870 0.099 0.000 1.013 138 L CA 0.219 55.050 54.840 -0.016 0.000 0.819 138 L CB 1.259 43.297 42.059 -0.034 0.000 1.227 138 L HN 0.678 nan 8.230 nan 0.000 0.417 139 T N 4.063 118.653 114.554 0.059 0.000 2.838 139 T HA 0.609 4.962 4.350 0.004 0.000 0.292 139 T C -0.813 174.221 174.700 0.556 0.000 1.113 139 T CA -0.484 61.737 62.100 0.202 0.000 1.008 139 T CB 0.611 69.499 68.868 0.033 0.000 1.259 139 T HN 0.302 nan 8.240 nan 0.000 0.520 140 F N 1.605 121.623 119.950 0.113 0.000 2.397 140 F HA 0.551 5.080 4.527 0.003 0.000 0.331 140 F C 1.366 177.278 175.800 0.187 0.000 1.090 140 F CA -1.512 56.538 58.000 0.084 0.000 1.065 140 F CB 1.293 40.226 39.000 -0.111 0.000 1.184 140 F HN 0.317 nan 8.300 nan 0.000 0.499 141 R N 1.299 121.980 120.500 0.303 0.000 2.784 141 R HA 0.005 4.347 4.340 0.004 0.000 0.266 141 R C 0.441 176.815 176.300 0.124 0.000 1.044 141 R CA 0.119 56.332 56.100 0.189 0.000 1.151 141 R CB 0.089 30.428 30.300 0.066 0.000 1.037 141 R HN 0.767 nan 8.270 nan 0.000 0.478 142 N N -1.431 117.312 118.700 0.071 0.000 2.828 142 N HA -0.139 4.603 4.740 0.004 0.000 0.248 142 N C -0.108 175.446 175.510 0.074 0.000 1.044 142 N CA 1.343 54.424 53.050 0.051 0.000 0.851 142 N CB -1.005 37.499 38.487 0.027 0.000 1.136 142 N HN 0.817 nan 8.380 nan 0.000 0.572 143 G N -0.397 108.472 108.800 0.115 0.000 2.448 143 G HA2 0.446 4.408 3.960 0.004 0.000 0.285 143 G HA3 0.446 4.408 3.960 0.004 0.000 0.285 143 G C -1.081 173.831 174.900 0.019 0.000 1.176 143 G CA -0.143 44.984 45.100 0.045 0.000 0.852 143 G HN 0.234 nan 8.290 nan 0.000 0.530 144 Y N 0.303 120.395 120.300 -0.348 0.000 2.396 144 Y HA 0.489 5.042 4.550 0.004 0.000 0.332 144 Y C -0.065 175.544 175.900 -0.484 0.000 1.034 144 Y CA -0.916 57.031 58.100 -0.254 0.000 1.057 144 Y CB 1.775 40.162 38.460 -0.122 0.000 1.220 144 Y HN 0.684 nan 8.280 nan 0.000 0.440 145 H N 3.280 121.941 119.070 -0.682 0.000 3.052 145 H HA 0.574 5.132 4.556 0.004 0.000 0.257 145 H C 0.355 175.327 175.328 -0.593 0.000 1.193 145 H CA 0.077 55.840 56.048 -0.475 0.000 1.072 145 H CB 1.198 30.817 29.762 -0.238 0.000 1.685 145 H HN 0.948 nan 8.280 nan 0.000 0.630 146 G N 0.034 108.194 108.800 -1.066 0.000 2.355 146 G HA2 -0.138 3.824 3.960 0.004 0.000 0.619 146 G HA3 -0.138 3.824 3.960 0.004 0.000 0.619 146 G C -0.881 173.857 174.900 -0.270 0.000 1.337 146 G CA -0.369 44.442 45.100 -0.483 0.000 0.993 146 G HN 0.146 nan 8.290 nan 0.000 0.599 147 D N -0.066 120.306 120.400 -0.046 0.000 2.407 147 D HA 0.129 4.771 4.640 0.004 0.000 0.208 147 D C 1.704 177.893 176.300 -0.185 0.000 1.083 147 D CA 1.155 55.145 54.000 -0.017 0.000 0.844 147 D CB 0.507 41.323 40.800 0.026 0.000 0.967 147 D HN 0.751 nan 8.370 nan 0.000 0.506 148 T N -1.792 112.666 114.554 -0.161 0.000 2.766 148 T HA 0.147 4.499 4.350 0.004 0.000 0.295 148 T C 1.435 176.029 174.700 -0.176 0.000 1.024 148 T CA -0.523 61.459 62.100 -0.197 0.000 1.018 148 T CB 0.570 69.397 68.868 -0.069 0.000 1.002 148 T HN -0.154 nan 8.240 nan 0.000 0.532 149 F N 0.888 120.766 119.950 -0.119 0.000 2.095 149 F HA 0.032 4.561 4.527 0.004 0.000 0.298 149 F C 2.917 178.648 175.800 -0.116 0.000 1.104 149 F CA 1.483 59.401 58.000 -0.136 0.000 1.232 149 F CB -0.995 37.960 39.000 -0.075 0.000 0.987 149 F HN 0.804 nan 8.300 nan 0.000 0.475 150 G N -0.260 108.598 108.800 0.096 0.000 2.459 150 G HA2 -0.279 3.683 3.960 0.004 0.000 0.217 150 G HA3 -0.279 3.683 3.960 0.004 0.000 0.217 150 G C 1.852 176.703 174.900 -0.083 0.000 1.183 150 G CA 1.013 46.099 45.100 -0.022 0.000 0.776 150 G HN 0.464 nan 8.290 nan 0.000 0.552 151 A N 0.580 123.351 122.820 -0.082 0.000 1.883 151 A HA -0.039 4.283 4.320 0.004 0.000 0.217 151 A C 2.494 180.056 177.584 -0.037 0.000 1.186 151 A CA 2.023 54.000 52.037 -0.100 0.000 0.624 151 A CB -0.421 18.503 19.000 -0.127 0.000 0.822 151 A HN 0.397 nan 8.150 nan 0.000 0.444 152 M N 0.527 120.114 119.600 -0.022 0.000 2.202 152 M HA -0.172 4.311 4.480 0.004 0.000 0.262 152 M C 2.356 178.752 176.300 0.161 0.000 1.063 152 M CA 1.772 57.115 55.300 0.072 0.000 1.097 152 M CB -0.457 32.108 32.600 -0.058 0.000 1.382 152 M HN 0.660 nan 8.290 nan 0.000 0.413 153 S N 0.057 115.795 115.700 0.063 0.000 2.469 153 S HA -0.057 4.415 4.470 0.004 0.000 0.238 153 S C 1.331 176.076 174.600 0.241 0.000 0.998 153 S CA 1.063 59.322 58.200 0.097 0.000 0.957 153 S CB -0.767 62.446 63.200 0.022 0.000 0.764 153 S HN 0.477 nan 8.310 nan 0.000 0.514 154 V N -2.184 117.848 119.914 0.197 0.000 3.276 154 V HA 0.495 4.618 4.120 0.004 0.000 0.319 154 V C 0.505 176.877 176.094 0.463 0.000 1.427 154 V CA -1.138 61.293 62.300 0.218 0.000 1.102 154 V CB -1.415 30.366 31.823 -0.071 0.000 1.020 154 V HN 0.498 nan 8.190 nan 0.000 0.456 155 C N 0.944 120.532 119.300 0.480 0.000 2.362 155 C HA 0.489 4.951 4.460 0.004 0.000 0.363 155 C C 0.661 175.821 174.990 0.283 0.000 1.220 155 C CA -0.200 59.039 59.018 0.368 0.000 2.379 155 C CB 0.854 28.765 27.740 0.286 0.000 2.351 155 C HN 0.711 nan 8.230 nan 0.000 0.582 156 D N 1.436 121.889 120.400 0.089 0.000 2.472 156 D HA 0.076 4.719 4.640 0.004 0.000 0.248 156 D C -1.539 174.447 176.300 -0.524 0.000 1.174 156 D CA -0.599 53.289 54.000 -0.187 0.000 0.883 156 D CB 0.764 41.515 40.800 -0.081 0.000 1.149 156 D HN 0.258 nan 8.370 nan 0.000 0.488 157 P HA -0.124 nan 4.420 nan 0.000 0.219 157 P C 0.370 177.392 177.300 -0.462 0.000 1.146 157 P CA 0.859 63.369 63.100 -0.983 0.000 0.808 157 P CB 0.249 31.641 31.700 -0.514 0.000 0.779 158 D N -0.879 119.340 120.400 -0.303 0.000 2.113 158 D HA -0.094 4.549 4.640 0.004 0.000 0.206 158 D C 1.682 177.927 176.300 -0.092 0.000 0.979 158 D CA 0.975 54.886 54.000 -0.148 0.000 0.862 158 D CB -1.000 39.730 40.800 -0.116 0.000 1.013 158 D HN 0.019 nan 8.370 nan 0.000 0.455 159 N N 1.026 119.680 118.700 -0.077 0.000 2.069 159 N HA -0.128 4.614 4.740 0.004 0.000 0.196 159 N C 1.643 177.178 175.510 0.042 0.000 1.024 159 N CA 1.167 54.211 53.050 -0.010 0.000 0.869 159 N CB -0.468 38.024 38.487 0.008 0.000 1.035 159 N HN 0.040 nan 8.380 nan 0.000 0.434 160 S N 0.495 116.222 115.700 0.045 0.000 2.631 160 S HA 0.223 4.695 4.470 0.004 0.000 0.217 160 S C 0.423 175.195 174.600 0.286 0.000 0.958 160 S CA -0.131 58.192 58.200 0.205 0.000 0.920 160 S CB -0.217 63.164 63.200 0.301 0.000 0.776 160 S HN 0.304 nan 8.310 nan 0.000 0.517 161 M N 1.210 120.887 119.600 0.129 0.000 2.573 161 M HA -0.224 4.258 4.480 0.004 0.000 0.184 161 M C 0.228 176.660 176.300 0.219 0.000 0.953 161 M CA 0.401 55.770 55.300 0.114 0.000 0.592 161 M CB -1.969 30.678 32.600 0.078 0.000 1.151 161 M HN 0.501 nan 8.290 nan 0.000 0.850 162 H N -0.583 118.577 119.070 0.150 0.000 2.545 162 H HA -0.061 4.498 4.556 0.004 0.000 0.282 162 H C 2.122 177.503 175.328 0.088 0.000 1.020 162 H CA 1.066 57.268 56.048 0.256 0.000 1.243 162 H CB 0.308 30.204 29.762 0.223 0.000 1.377 162 H HN 0.829 nan 8.280 nan 0.000 0.581 163 S N 0.679 116.432 115.700 0.088 0.000 2.419 163 S HA -0.112 4.361 4.470 0.004 0.000 0.233 163 S C 1.957 176.474 174.600 -0.138 0.000 1.016 163 S CA 0.547 58.745 58.200 -0.003 0.000 0.974 163 S CB -0.430 62.758 63.200 -0.020 0.000 0.786 163 S HN 0.365 nan 8.310 nan 0.000 0.492 164 L N -1.105 119.883 121.223 -0.391 0.000 2.201 164 L HA 0.047 4.389 4.340 0.004 0.000 0.212 164 L C 1.667 178.144 176.870 -0.655 0.000 1.105 164 L CA 1.051 55.438 54.840 -0.755 0.000 0.775 164 L CB -0.404 40.813 42.059 -1.403 0.000 0.913 164 L HN 0.525 nan 8.230 nan 0.000 0.440 165 W N -1.380 119.997 121.300 0.128 0.000 2.862 165 W HA 0.263 4.925 4.660 0.004 0.000 0.376 165 W C 0.655 177.256 176.519 0.136 0.000 1.028 165 W CA -0.852 56.580 57.345 0.145 0.000 1.757 165 W CB -0.030 29.541 29.460 0.185 0.000 1.128 165 W HN -0.247 nan 8.180 nan 0.000 0.566 166 K N 1.627 122.160 120.400 0.221 0.000 2.466 166 K HA 0.231 4.553 4.320 0.004 0.000 0.278 166 K C 1.265 177.967 176.600 0.170 0.000 1.048 166 K CA 1.732 58.125 56.287 0.176 0.000 1.088 166 K CB -0.014 32.552 32.500 0.110 0.000 0.884 166 K HN 0.330 nan 8.250 nan 0.000 0.478 167 G N 3.387 112.284 108.800 0.161 0.000 2.259 167 G HA2 -0.310 3.652 3.960 0.004 0.000 0.217 167 G HA3 -0.310 3.652 3.960 0.004 0.000 0.217 167 G C 0.428 175.421 174.900 0.156 0.000 1.001 167 G CA 0.239 45.420 45.100 0.135 0.000 0.627 167 G HN 0.680 nan 8.290 nan 0.000 0.501 168 Y N 0.744 121.095 120.300 0.084 0.000 2.353 168 Y HA 0.594 5.147 4.550 0.004 0.000 0.294 168 Y C 1.567 177.460 175.900 -0.012 0.000 1.135 168 Y CA 0.272 58.389 58.100 0.029 0.000 1.176 168 Y CB 0.155 38.652 38.460 0.062 0.000 1.124 168 Y HN 0.184 nan 8.280 nan 0.000 0.537 169 L N 3.029 124.338 121.223 0.143 0.000 2.426 169 L HA 0.201 4.543 4.340 0.004 0.000 0.271 169 L C -2.048 174.821 176.870 -0.000 0.000 1.169 169 L CA -1.946 52.910 54.840 0.027 0.000 0.836 169 L CB 0.303 42.370 42.059 0.012 0.000 1.112 169 L HN 0.080 nan 8.230 nan 0.000 0.465 170 P HA 0.066 nan 4.420 nan 0.000 0.269 170 P C -1.107 176.241 177.300 0.080 0.000 1.209 170 P CA -0.205 62.903 63.100 0.015 0.000 0.776 170 P CB 0.438 32.149 31.700 0.018 0.000 0.876 171 E N 2.044 122.300 120.200 0.093 0.000 2.044 171 E HA 0.187 4.539 4.350 0.004 0.000 0.282 171 E C 0.071 176.743 176.600 0.121 0.000 1.031 171 E CA -0.419 56.070 56.400 0.148 0.000 0.824 171 E CB 0.313 30.095 29.700 0.137 0.000 1.076 171 E HN 0.365 nan 8.360 nan 0.000 0.395 172 N N 2.169 120.953 118.700 0.140 0.000 2.476 172 N HA 0.414 5.156 4.740 0.004 0.000 0.287 172 N C -0.473 174.939 175.510 -0.164 0.000 1.262 172 N CA -0.423 52.605 53.050 -0.037 0.000 0.980 172 N CB 0.837 39.257 38.487 -0.111 0.000 1.163 172 N HN 0.253 nan 8.380 nan 0.000 0.592 173 L N 1.017 122.036 121.223 -0.340 0.000 2.296 173 L HA 0.444 4.786 4.340 0.004 0.000 0.286 173 L C -0.877 175.728 176.870 -0.441 0.000 1.023 173 L CA -0.482 54.178 54.840 -0.300 0.000 0.812 173 L CB 0.509 42.379 42.059 -0.315 0.000 1.223 173 L HN 0.310 nan 8.230 nan 0.000 0.421 174 F N 2.313 122.270 119.950 0.012 0.000 2.366 174 F HA 0.543 5.072 4.527 0.003 0.000 0.366 174 F C 0.742 176.533 175.800 -0.015 0.000 1.096 174 F CA -0.592 57.436 58.000 0.046 0.000 1.060 174 F CB 1.258 40.291 39.000 0.055 0.000 1.282 174 F HN 0.492 nan 8.300 nan 0.000 0.450 175 A N 4.671 127.529 122.820 0.064 0.000 2.366 175 A HA 0.590 4.913 4.320 0.004 0.000 0.249 175 A C -2.388 175.112 177.584 -0.141 0.000 1.084 175 A CA -1.394 50.575 52.037 -0.114 0.000 0.794 175 A CB -0.129 18.674 19.000 -0.328 0.000 1.034 175 A HN 0.390 nan 8.150 nan 0.000 0.491 176 P HA 0.276 nan 4.420 nan 0.000 0.269 176 P C -0.256 176.920 177.300 -0.206 0.000 1.215 176 P CA 0.164 63.199 63.100 -0.108 0.000 0.780 176 P CB 0.422 32.089 31.700 -0.056 0.000 0.898 177 A N 3.960 126.716 122.820 -0.105 0.000 2.540 177 A HA 0.277 4.600 4.320 0.004 0.000 0.239 177 A C -2.015 175.453 177.584 -0.194 0.000 1.061 177 A CA -0.838 51.128 52.037 -0.119 0.000 0.758 177 A CB -1.467 17.508 19.000 -0.043 0.000 0.991 177 A HN 0.405 nan 8.150 nan 0.000 0.502 178 P HA 0.113 nan 4.420 nan 0.000 0.264 178 P C -0.009 177.304 177.300 0.021 0.000 1.193 178 P CA 0.287 63.166 63.100 -0.368 0.000 0.763 178 P CB 0.579 31.606 31.700 -1.121 0.000 0.810 179 Q N 0.596 120.509 119.800 0.189 0.000 2.324 179 Q HA 0.073 4.416 4.340 0.004 0.000 0.207 179 Q C 0.353 176.461 176.000 0.180 0.000 0.928 179 Q CA 0.490 56.373 55.803 0.133 0.000 0.890 179 Q CB 0.007 28.786 28.738 0.067 0.000 1.001 179 Q HN 0.418 nan 8.270 nan 0.000 0.517 180 S N 1.461 117.314 115.700 0.255 0.000 2.552 180 S HA 0.107 4.580 4.470 0.004 0.000 0.289 180 S C -0.047 174.784 174.600 0.385 0.000 1.304 180 S CA 0.082 58.444 58.200 0.270 0.000 1.063 180 S CB 0.436 63.796 63.200 0.267 0.000 0.848 180 S HN 0.175 nan 8.310 nan 0.000 0.499 181 R N 1.502 122.175 120.500 0.288 0.000 2.500 181 R HA 0.275 4.617 4.340 0.004 0.000 0.277 181 R C 1.314 177.748 176.300 0.222 0.000 1.026 181 R CA -0.672 55.566 56.100 0.229 0.000 1.058 181 R CB 0.366 30.749 30.300 0.139 0.000 1.078 181 R HN 0.618 nan 8.270 nan 0.000 0.509 182 M N 1.209 120.870 119.600 0.102 0.000 2.296 182 M HA -0.116 4.366 4.480 0.004 0.000 0.265 182 M C 0.669 176.966 176.300 -0.004 0.000 1.064 182 M CA 1.904 57.189 55.300 -0.026 0.000 1.109 182 M CB 0.100 32.624 32.600 -0.127 0.000 1.396 182 M HN 0.520 nan 8.290 nan 0.000 0.430 183 D N 0.234 120.654 120.400 0.034 0.000 2.347 183 D HA 0.124 4.767 4.640 0.004 0.000 0.215 183 D C 1.022 177.364 176.300 0.071 0.000 0.976 183 D CA 0.896 54.919 54.000 0.037 0.000 0.884 183 D CB 0.059 40.879 40.800 0.034 0.000 0.915 183 D HN 0.504 nan 8.370 nan 0.000 0.526 184 G N -0.550 108.319 108.800 0.115 0.000 2.990 184 G HA2 0.552 4.515 3.960 0.004 0.000 0.208 184 G HA3 0.552 4.515 3.960 0.004 0.000 0.208 184 G C -0.309 174.726 174.900 0.225 0.000 1.334 184 G CA -0.029 45.157 45.100 0.143 0.000 1.024 184 G HN 0.157 nan 8.290 nan 0.000 0.574 185 E N -1.027 119.291 120.200 0.196 0.000 2.239 185 E HA 0.518 4.870 4.350 0.004 0.000 0.261 185 E C -0.806 175.904 176.600 0.182 0.000 1.016 185 E CA -1.138 55.385 56.400 0.206 0.000 0.882 185 E CB 1.189 30.956 29.700 0.112 0.000 1.190 185 E HN 0.604 nan 8.360 nan 0.000 0.415 186 W N 1.593 122.794 121.300 -0.166 0.000 2.261 186 W HA 0.460 5.121 4.660 0.002 0.000 0.323 186 W C -1.071 175.338 176.519 -0.185 0.000 1.243 186 W CA 0.153 57.268 57.345 -0.384 0.000 1.210 186 W CB 1.050 30.176 29.460 -0.557 0.000 1.149 186 W HN 0.690 nan 8.180 nan 0.000 0.562 187 D N 3.406 123.104 120.400 -1.169 0.000 2.549 187 D HA 0.080 4.722 4.640 0.004 0.000 0.251 187 D C 0.537 176.055 176.300 -1.303 0.000 1.153 187 D CA -0.223 53.228 54.000 -0.915 0.000 0.861 187 D CB 1.552 42.067 40.800 -0.474 0.000 1.207 187 D HN 0.408 nan 8.370 nan 0.000 0.543 188 E N 2.324 122.048 120.200 -0.793 0.000 2.478 188 E HA -0.059 4.293 4.350 0.004 0.000 0.198 188 E C 1.388 177.799 176.600 -0.314 0.000 1.046 188 E CA 0.227 56.362 56.400 -0.443 0.000 0.870 188 E CB 0.315 29.969 29.700 -0.077 0.000 0.818 188 E HN 0.480 nan 8.360 nan 0.000 0.527 189 R N 0.588 120.893 120.500 -0.325 0.000 2.153 189 R HA -0.079 4.263 4.340 0.004 0.000 0.218 189 R C 1.837 178.030 176.300 -0.179 0.000 1.072 189 R CA 0.495 56.478 56.100 -0.195 0.000 0.990 189 R CB 0.086 30.291 30.300 -0.159 0.000 0.889 189 R HN 0.152 nan 8.270 nan 0.000 0.452 190 D N 0.545 120.758 120.400 -0.311 0.000 2.172 190 D HA -0.235 4.407 4.640 0.004 0.000 0.196 190 D C 1.539 177.858 176.300 0.033 0.000 0.999 190 D CA 1.393 55.311 54.000 -0.138 0.000 0.856 190 D CB 0.151 40.758 40.800 -0.322 0.000 0.934 190 D HN 0.134 nan 8.370 nan 0.000 0.453 191 M N 0.305 119.811 119.600 -0.156 0.000 2.619 191 M HA -0.068 4.414 4.480 0.004 0.000 0.251 191 M C 1.821 178.197 176.300 0.125 0.000 1.106 191 M CA 0.383 55.667 55.300 -0.026 0.000 1.086 191 M CB 0.075 32.617 32.600 -0.096 0.000 1.465 191 M HN -0.026 nan 8.290 nan 0.000 0.506 192 V N -1.022 118.933 119.914 0.068 0.000 2.295 192 V HA -0.082 4.040 4.120 0.004 0.000 0.246 192 V C 2.044 178.196 176.094 0.097 0.000 1.049 192 V CA 2.366 64.708 62.300 0.070 0.000 1.024 192 V CB -1.848 29.991 31.823 0.028 0.000 0.648 192 V HN 0.464 nan 8.190 nan 0.000 0.447 193 G N -0.900 107.960 108.800 0.099 0.000 2.459 193 G HA2 -0.328 3.634 3.960 0.004 0.000 0.217 193 G HA3 -0.328 3.634 3.960 0.004 0.000 0.217 193 G C 1.555 176.513 174.900 0.096 0.000 1.183 193 G CA 1.223 46.367 45.100 0.074 0.000 0.776 193 G HN 0.623 nan 8.290 nan 0.000 0.552 194 F N 2.367 122.328 119.950 0.019 0.000 2.134 194 F HA 0.033 4.563 4.527 0.004 0.000 0.299 194 F C 2.839 178.692 175.800 0.088 0.000 1.097 194 F CA 1.508 59.529 58.000 0.036 0.000 1.264 194 F CB -0.206 38.889 39.000 0.159 0.000 1.001 194 F HN 0.233 nan 8.300 nan 0.000 0.479 195 A N 0.467 123.460 122.820 0.288 0.000 1.902 195 A HA -0.224 4.098 4.320 0.004 0.000 0.217 195 A C 2.333 179.950 177.584 0.056 0.000 1.181 195 A CA 1.796 53.940 52.037 0.178 0.000 0.623 195 A CB -0.881 18.219 19.000 0.167 0.000 0.818 195 A HN 0.494 nan 8.150 nan 0.000 0.443 196 R N -0.336 120.192 120.500 0.046 0.000 2.070 196 R HA -0.065 4.278 4.340 0.004 0.000 0.233 196 R C 2.009 178.320 176.300 0.018 0.000 1.137 196 R CA 1.647 57.766 56.100 0.032 0.000 0.945 196 R CB -0.450 29.872 30.300 0.035 0.000 0.845 196 R HN 0.493 nan 8.270 nan 0.000 0.430 197 L N 0.280 121.478 121.223 -0.042 0.000 2.042 197 L HA -0.210 4.132 4.340 0.004 0.000 0.210 197 L C 2.705 179.538 176.870 -0.062 0.000 1.076 197 L CA 1.260 56.055 54.840 -0.075 0.000 0.749 197 L CB -0.367 41.563 42.059 -0.215 0.000 0.893 197 L HN 0.338 nan 8.230 nan 0.000 0.432 198 M N 0.037 119.532 119.600 -0.175 0.000 2.117 198 M HA -0.150 4.332 4.480 0.004 0.000 0.262 198 M C 2.270 178.575 176.300 0.009 0.000 1.065 198 M CA 2.093 57.320 55.300 -0.122 0.000 1.114 198 M CB -0.482 32.023 32.600 -0.159 0.000 1.361 198 M HN 0.177 nan 8.290 nan 0.000 0.408 199 A N -0.227 122.608 122.820 0.025 0.000 1.877 199 A HA 0.031 4.354 4.320 0.004 0.000 0.216 199 A C 2.377 179.988 177.584 0.044 0.000 1.186 199 A CA 2.199 54.257 52.037 0.034 0.000 0.620 199 A CB -1.532 17.485 19.000 0.027 0.000 0.822 199 A HN 0.655 nan 8.150 nan 0.000 0.443 200 A N -1.763 121.102 122.820 0.075 0.000 2.019 200 A HA -0.123 4.199 4.320 0.004 0.000 0.219 200 A C 1.690 179.216 177.584 -0.098 0.000 1.164 200 A CA 1.475 53.521 52.037 0.015 0.000 0.644 200 A CB -0.580 18.476 19.000 0.093 0.000 0.805 200 A HN 0.745 nan 8.150 nan 0.000 0.449 201 H N -1.814 117.277 119.070 0.035 0.000 3.078 201 H HA 0.079 4.637 4.556 0.004 0.000 0.263 201 H C 1.575 176.871 175.328 -0.052 0.000 1.177 201 H CA 0.323 56.352 56.048 -0.031 0.000 1.128 201 H CB 0.217 29.901 29.762 -0.130 0.000 1.623 201 H HN 0.701 nan 8.280 nan 0.000 0.592 202 R N 1.429 122.014 120.500 0.143 0.000 2.244 202 R HA -0.220 4.122 4.340 0.004 0.000 0.252 202 R C 1.441 177.749 176.300 0.014 0.000 1.177 202 R CA 2.304 58.437 56.100 0.053 0.000 1.004 202 R CB -1.092 29.245 30.300 0.062 0.000 0.873 202 R HN 0.567 nan 8.270 nan 0.000 0.469 203 H N -0.019 118.983 119.070 -0.113 0.000 2.497 203 H HA 0.135 4.693 4.556 0.004 0.000 0.282 203 H C 1.112 176.317 175.328 -0.205 0.000 1.003 203 H CA 0.602 56.556 56.048 -0.155 0.000 1.307 203 H CB 0.043 29.732 29.762 -0.122 0.000 1.437 203 H HN 0.593 nan 8.280 nan 0.000 0.544 204 E N 1.588 121.453 120.200 -0.558 0.000 2.481 204 E HA 0.185 4.538 4.350 0.004 0.000 0.198 204 E C -0.090 176.289 176.600 -0.369 0.000 1.027 204 E CA -0.223 55.908 56.400 -0.448 0.000 0.900 204 E CB 0.420 29.854 29.700 -0.443 0.000 0.993 204 E HN 0.439 nan 8.360 nan 0.000 0.482 205 I N 1.866 122.228 120.570 -0.346 0.000 2.352 205 I HA 0.148 4.320 4.170 0.004 0.000 0.290 205 I C 1.052 176.909 176.117 -0.433 0.000 1.036 205 I CA -0.367 60.735 61.300 -0.330 0.000 1.336 205 I CB 1.543 39.417 38.000 -0.210 0.000 1.407 205 I HN 0.129 nan 8.210 nan 0.000 0.497 206 A N 5.544 128.070 122.820 -0.490 0.000 1.935 206 A HA 0.535 4.857 4.320 0.004 0.000 0.214 206 A C 0.985 178.578 177.584 0.014 0.000 1.178 206 A CA 1.132 52.965 52.037 -0.340 0.000 0.640 206 A CB 0.084 18.877 19.000 -0.345 0.000 0.825 206 A HN 0.786 nan 8.150 nan 0.000 0.447 207 A N -2.201 120.532 122.820 -0.145 0.000 2.601 207 A HA 0.563 4.885 4.320 0.004 0.000 0.291 207 A C -1.339 176.313 177.584 0.113 0.000 1.075 207 A CA -0.351 51.736 52.037 0.083 0.000 0.671 207 A CB 0.549 19.670 19.000 0.200 0.000 1.277 207 A HN 0.441 nan 8.150 nan 0.000 0.417 208 V N 1.389 121.385 119.914 0.137 0.000 2.435 208 V HA 0.599 4.721 4.120 0.004 0.000 0.290 208 V C -0.311 175.831 176.094 0.080 0.000 1.030 208 V CA -0.281 62.108 62.300 0.150 0.000 0.881 208 V CB 1.334 33.290 31.823 0.223 0.000 0.983 208 V HN 0.737 nan 8.190 nan 0.000 0.445 209 I N 6.954 127.535 120.570 0.019 0.000 2.498 209 I HA 0.740 4.912 4.170 0.004 0.000 0.290 209 I C -0.884 175.149 176.117 -0.141 0.000 1.032 209 I CA -0.567 60.666 61.300 -0.113 0.000 1.073 209 I CB 1.323 39.161 38.000 -0.269 0.000 1.251 209 I HN 0.768 nan 8.210 nan 0.000 0.426 210 I N 2.467 122.977 120.570 -0.101 0.000 3.093 210 I HA 0.509 4.681 4.170 0.004 0.000 0.308 210 I C -1.484 174.707 176.117 0.122 0.000 1.303 210 I CA -0.942 60.335 61.300 -0.039 0.000 0.975 210 I CB 2.244 40.047 38.000 -0.329 0.000 1.286 210 I HN 0.450 nan 8.210 nan 0.000 0.459 211 E N 3.770 124.065 120.200 0.158 0.000 2.167 211 E HA 0.354 4.707 4.350 0.004 0.000 0.284 211 E C -2.451 174.235 176.600 0.142 0.000 1.016 211 E CA -1.772 54.710 56.400 0.137 0.000 0.817 211 E CB 0.855 30.615 29.700 0.100 0.000 1.080 211 E HN 0.363 nan 8.360 nan 0.000 0.397 212 P HA -0.013 nan 4.420 nan 0.000 0.271 212 P C 0.706 177.928 177.300 -0.131 0.000 1.226 212 P CA 0.058 63.187 63.100 0.048 0.000 0.765 212 P CB 0.589 32.313 31.700 0.040 0.000 0.835 213 I N 0.269 120.493 120.570 -0.576 0.000 4.381 213 I HA -0.278 3.894 4.170 0.004 0.000 0.070 213 I C 0.381 176.130 176.117 -0.614 0.000 0.586 213 I CA 1.542 62.277 61.300 -0.941 0.000 1.055 213 I CB -2.053 35.675 38.000 -0.454 0.000 0.943 213 I HN 0.166 nan 8.210 nan 0.000 0.171 214 V N 3.523 123.302 119.914 -0.225 0.000 2.384 214 V HA 0.377 4.500 4.120 0.004 0.000 0.287 214 V C 0.334 176.437 176.094 0.016 0.000 1.020 214 V CA -0.506 61.740 62.300 -0.091 0.000 0.850 214 V CB 1.572 33.337 31.823 -0.096 0.000 0.987 214 V HN 0.235 nan 8.190 nan 0.000 0.436 215 Q N 2.836 122.676 119.800 0.067 0.000 2.331 215 Q HA 0.435 4.777 4.340 0.004 0.000 0.257 215 Q C 0.968 176.959 176.000 -0.015 0.000 0.957 215 Q CA -0.010 55.829 55.803 0.060 0.000 0.923 215 Q CB 2.062 30.853 28.738 0.089 0.000 1.212 215 Q HN 0.929 nan 8.270 nan 0.000 0.443 216 G N 1.630 110.417 108.800 -0.021 0.000 2.648 216 G HA2 -0.079 3.883 3.960 0.004 0.000 0.217 216 G HA3 -0.079 3.883 3.960 0.004 0.000 0.217 216 G C 1.102 175.972 174.900 -0.051 0.000 1.386 216 G CA 0.594 45.628 45.100 -0.109 0.000 0.920 216 G HN 0.664 nan 8.290 nan 0.000 0.540 217 A N 0.233 123.086 122.820 0.055 0.000 2.186 217 A HA 0.185 4.508 4.320 0.004 0.000 0.219 217 A C 2.220 179.813 177.584 0.015 0.000 1.159 217 A CA 1.928 53.927 52.037 -0.064 0.000 0.680 217 A CB -0.579 18.102 19.000 -0.531 0.000 0.787 217 A HN 0.737 nan 8.150 nan 0.000 0.467 218 G N -2.485 106.335 108.800 0.033 0.000 3.337 218 G HA2 0.417 4.380 3.960 0.004 0.000 0.246 218 G HA3 0.417 4.380 3.960 0.004 0.000 0.246 218 G C 0.778 175.680 174.900 0.003 0.000 1.131 218 G CA 0.544 45.665 45.100 0.035 0.000 0.773 218 G HN 1.457 nan 8.290 nan 0.000 0.544 219 G N -0.463 108.326 108.800 -0.018 0.000 2.834 219 G HA2 -0.123 3.839 3.960 0.004 0.000 0.217 219 G HA3 -0.123 3.839 3.960 0.004 0.000 0.217 219 G C 0.625 175.476 174.900 -0.082 0.000 0.974 219 G CA -0.093 44.973 45.100 -0.057 0.000 0.826 219 G HN 0.322 nan 8.290 nan 0.000 0.584 220 M N 0.159 119.685 119.600 -0.123 0.000 2.206 220 M HA -0.156 4.326 4.480 0.004 0.000 0.197 220 M C 0.548 176.796 176.300 -0.086 0.000 0.375 220 M CA 0.959 56.153 55.300 -0.176 0.000 0.410 220 M CB -1.934 30.497 32.600 -0.281 0.000 1.204 220 M HN 0.631 nan 8.290 nan 0.000 0.932 221 R N -0.078 120.405 120.500 -0.029 0.000 2.459 221 R HA 0.717 5.060 4.340 0.004 0.000 0.281 221 R C 0.204 176.528 176.300 0.040 0.000 1.050 221 R CA -0.286 55.830 56.100 0.027 0.000 1.055 221 R CB 0.922 31.265 30.300 0.072 0.000 1.045 221 R HN 0.356 nan 8.270 nan 0.000 0.495 222 M N 3.485 123.111 119.600 0.044 0.000 2.142 222 M HA 0.305 4.787 4.480 0.004 0.000 0.299 222 M C -1.297 175.048 176.300 0.075 0.000 0.960 222 M CA -0.805 54.484 55.300 -0.019 0.000 0.920 222 M CB 1.385 33.950 32.600 -0.059 0.000 1.541 222 M HN 0.551 nan 8.290 nan 0.000 0.429 223 Y N -0.804 119.525 120.300 0.048 0.000 2.567 223 Y HA 0.570 5.122 4.550 0.003 0.000 0.333 223 Y C 0.035 176.059 175.900 0.206 0.000 1.106 223 Y CA -1.334 56.858 58.100 0.155 0.000 1.157 223 Y CB 0.571 39.118 38.460 0.145 0.000 1.277 223 Y HN 0.515 nan 8.280 nan 0.000 0.490 224 H N 3.173 122.554 119.070 0.520 0.000 3.034 224 H HA 0.060 4.618 4.556 0.003 0.000 0.324 224 H C -1.891 173.669 175.328 0.387 0.000 1.015 224 H CA -1.217 55.089 56.048 0.431 0.000 1.429 224 H CB 1.495 31.627 29.762 0.616 0.000 1.429 224 H HN 0.542 nan 8.280 nan 0.000 0.585 225 P HA -0.122 nan 4.420 nan 0.000 0.222 225 P C 1.246 178.659 177.300 0.188 0.000 1.147 225 P CA 0.894 64.018 63.100 0.039 0.000 0.790 225 P CB 0.331 31.979 31.700 -0.086 0.000 0.780 226 E N -1.158 119.267 120.200 0.374 0.000 2.219 226 E HA -0.201 4.152 4.350 0.004 0.000 0.198 226 E C 1.584 178.024 176.600 -0.267 0.000 0.998 226 E CA 1.290 57.589 56.400 -0.169 0.000 0.818 226 E CB -0.934 28.163 29.700 -1.006 0.000 0.741 226 E HN 0.292 nan 8.360 nan 0.000 0.477 227 W N 0.144 121.501 121.300 0.096 0.000 2.354 227 W HA -0.120 4.542 4.660 0.004 0.000 0.315 227 W C 2.058 178.624 176.519 0.078 0.000 1.206 227 W CA 1.209 58.664 57.345 0.183 0.000 1.290 227 W CB -0.286 29.426 29.460 0.419 0.000 1.152 227 W HN 0.096 nan 8.180 nan 0.000 0.489 228 L N 0.009 121.465 121.223 0.387 0.000 2.046 228 L HA -0.229 4.114 4.340 0.004 0.000 0.208 228 L C 2.407 179.335 176.870 0.097 0.000 1.077 228 L CA 1.323 56.288 54.840 0.208 0.000 0.747 228 L CB -0.928 41.229 42.059 0.164 0.000 0.896 228 L HN -0.029 nan 8.230 nan 0.000 0.432 229 K N -0.193 120.232 120.400 0.043 0.000 2.044 229 K HA -0.195 4.127 4.320 0.004 0.000 0.210 229 K C 2.435 179.018 176.600 -0.028 0.000 1.049 229 K CA 1.332 57.608 56.287 -0.018 0.000 0.927 229 K CB 0.062 32.515 32.500 -0.079 0.000 0.713 229 K HN 0.141 nan 8.250 nan 0.000 0.443 230 R N 0.508 120.966 120.500 -0.069 0.000 2.070 230 R HA -0.107 4.236 4.340 0.004 0.000 0.232 230 R C 2.383 178.701 176.300 0.030 0.000 1.138 230 R CA 1.452 57.515 56.100 -0.061 0.000 0.936 230 R CB -0.867 29.338 30.300 -0.160 0.000 0.839 230 R HN 0.314 nan 8.270 nan 0.000 0.429 231 I N 0.696 121.302 120.570 0.061 0.000 2.208 231 I HA -0.313 3.859 4.170 0.004 0.000 0.245 231 I C 2.729 178.916 176.117 0.118 0.000 1.097 231 I CA 1.386 62.740 61.300 0.089 0.000 1.363 231 I CB -0.280 37.753 38.000 0.055 0.000 1.051 231 I HN 0.087 nan 8.210 nan 0.000 0.413 232 R N 1.663 122.210 120.500 0.078 0.000 2.091 232 R HA -0.173 4.169 4.340 0.004 0.000 0.238 232 R C 2.089 178.431 176.300 0.069 0.000 1.136 232 R CA 1.722 57.860 56.100 0.065 0.000 0.959 232 R CB -0.256 30.067 30.300 0.039 0.000 0.856 232 R HN 0.249 nan 8.270 nan 0.000 0.437 233 K N -0.181 120.256 120.400 0.061 0.000 2.062 233 K HA -0.033 4.289 4.320 0.004 0.000 0.205 233 K C 2.154 178.808 176.600 0.089 0.000 1.051 233 K CA 1.613 57.935 56.287 0.059 0.000 0.941 233 K CB -0.173 32.349 32.500 0.036 0.000 0.719 233 K HN 0.220 nan 8.250 nan 0.000 0.440 234 I N 0.963 121.610 120.570 0.128 0.000 2.163 234 I HA -0.372 3.800 4.170 0.004 0.000 0.243 234 I C 2.473 178.689 176.117 0.165 0.000 1.085 234 I CA 1.040 62.445 61.300 0.175 0.000 1.347 234 I CB -0.388 37.791 38.000 0.299 0.000 1.044 234 I HN 0.245 nan 8.210 nan 0.000 0.408 235 C N 0.552 119.956 119.300 0.172 0.000 2.413 235 C HA -0.182 4.280 4.460 0.004 0.000 0.276 235 C C 2.469 177.530 174.990 0.120 0.000 1.248 235 C CA 0.821 59.929 59.018 0.151 0.000 1.742 235 C CB -1.046 26.777 27.740 0.140 0.000 2.017 235 C HN 0.527 nan 8.230 nan 0.000 0.481 236 D N 0.218 120.676 120.400 0.097 0.000 2.097 236 D HA -0.111 4.532 4.640 0.004 0.000 0.195 236 D C 2.361 178.711 176.300 0.083 0.000 0.989 236 D CA 1.221 55.269 54.000 0.080 0.000 0.827 236 D CB -0.407 40.428 40.800 0.059 0.000 0.966 236 D HN 0.301 nan 8.370 nan 0.000 0.456 237 R N 0.606 121.155 120.500 0.081 0.000 2.096 237 R HA -0.035 4.307 4.340 0.004 0.000 0.235 237 R C 1.771 178.117 176.300 0.077 0.000 1.127 237 R CA 0.949 57.093 56.100 0.073 0.000 0.968 237 R CB -0.008 30.334 30.300 0.070 0.000 0.861 237 R HN 0.132 nan 8.270 nan 0.000 0.440 238 E N -1.187 119.067 120.200 0.089 0.000 2.478 238 E HA 0.120 4.473 4.350 0.004 0.000 0.194 238 E C 0.782 177.441 176.600 0.099 0.000 1.045 238 E CA 0.751 57.198 56.400 0.079 0.000 0.868 238 E CB 0.479 30.223 29.700 0.072 0.000 0.885 238 E HN 0.466 nan 8.360 nan 0.000 0.505 239 G N 2.001 110.884 108.800 0.139 0.000 2.160 239 G HA2 -0.295 3.667 3.960 0.004 0.000 0.251 239 G HA3 -0.295 3.667 3.960 0.004 0.000 0.251 239 G C 0.304 175.404 174.900 0.334 0.000 1.008 239 G CA 0.320 45.553 45.100 0.223 0.000 0.724 239 G HN 0.255 nan 8.290 nan 0.000 0.514 240 I N 0.341 121.050 120.570 0.233 0.000 2.499 240 I HA 0.413 4.585 4.170 0.004 0.000 0.296 240 I C 1.086 177.344 176.117 0.235 0.000 0.992 240 I CA -0.991 60.467 61.300 0.264 0.000 1.297 240 I CB 1.176 39.250 38.000 0.125 0.000 1.410 240 I HN -0.046 nan 8.210 nan 0.000 0.507 241 L N 5.514 126.891 121.223 0.256 0.000 2.349 241 L HA 0.268 4.610 4.340 0.004 0.000 0.275 241 L C -0.452 176.461 176.870 0.072 0.000 1.115 241 L CA -0.496 54.392 54.840 0.081 0.000 0.820 241 L CB 0.912 42.959 42.059 -0.020 0.000 1.135 241 L HN 0.370 nan 8.230 nan 0.000 0.445 242 L N 5.023 126.261 121.223 0.024 0.000 2.272 242 L HA 0.494 4.836 4.340 0.004 0.000 0.289 242 L C -0.469 176.390 176.870 -0.018 0.000 1.032 242 L CA 0.106 54.961 54.840 0.025 0.000 0.810 242 L CB 0.980 43.054 42.059 0.026 0.000 1.205 242 L HN 0.346 nan 8.230 nan 0.000 0.422 243 I N 5.600 126.160 120.570 -0.015 0.000 2.312 243 I HA 0.524 4.696 4.170 0.004 0.000 0.290 243 I C 0.114 176.193 176.117 -0.062 0.000 1.008 243 I CA -0.418 60.850 61.300 -0.053 0.000 1.226 243 I CB 1.471 39.432 38.000 -0.064 0.000 1.371 243 I HN 0.775 nan 8.210 nan 0.000 0.468 244 A N 4.787 127.570 122.820 -0.062 0.000 2.260 244 A HA 0.384 4.706 4.320 0.004 0.000 0.314 244 A C -0.592 176.976 177.584 -0.027 0.000 1.257 244 A CA -0.488 51.526 52.037 -0.039 0.000 0.871 244 A CB 0.581 19.555 19.000 -0.044 0.000 1.166 244 A HN 0.659 nan 8.150 nan 0.000 0.522 245 D N 2.534 122.951 120.400 0.028 0.000 2.456 245 D HA 0.176 4.819 4.640 0.004 0.000 0.219 245 D C 0.082 176.432 176.300 0.083 0.000 1.126 245 D CA 0.023 54.067 54.000 0.074 0.000 0.890 245 D CB 0.580 41.511 40.800 0.219 0.000 1.025 245 D HN 0.556 nan 8.370 nan 0.000 0.511 246 E N 3.669 123.901 120.200 0.052 0.000 2.499 246 E HA 0.118 4.470 4.350 0.004 0.000 0.207 246 E C 1.507 178.170 176.600 0.107 0.000 1.034 246 E CA -0.208 56.234 56.400 0.070 0.000 1.098 246 E CB 0.595 30.322 29.700 0.045 0.000 1.148 246 E HN 0.617 nan 8.360 nan 0.000 0.447 247 I N 0.948 121.590 120.570 0.120 0.000 2.208 247 I HA -0.291 3.881 4.170 0.004 0.000 0.245 247 I C 2.365 178.592 176.117 0.183 0.000 1.097 247 I CA 1.405 62.790 61.300 0.142 0.000 1.363 247 I CB -0.024 38.043 38.000 0.110 0.000 1.051 247 I HN 0.153 nan 8.210 nan 0.000 0.413 248 A N 0.139 123.088 122.820 0.215 0.000 1.911 248 A HA -0.100 4.222 4.320 0.004 0.000 0.212 248 A C 2.329 180.042 177.584 0.215 0.000 1.189 248 A CA 1.478 53.702 52.037 0.312 0.000 0.639 248 A CB -0.834 18.430 19.000 0.440 0.000 0.839 248 A HN 0.449 nan 8.150 nan 0.000 0.449 249 T N -2.212 112.427 114.554 0.141 0.000 3.067 249 T HA 0.284 4.637 4.350 0.004 0.000 0.261 249 T C 1.162 175.892 174.700 0.050 0.000 1.110 249 T CA 0.466 62.620 62.100 0.090 0.000 1.113 249 T CB -0.601 68.306 68.868 0.064 0.000 0.917 249 T HN 0.461 nan 8.240 nan 0.000 0.499 250 G N 0.716 109.547 108.800 0.052 0.000 2.630 250 G HA2 0.351 4.313 3.960 0.004 0.000 0.236 250 G HA3 0.351 4.313 3.960 0.004 0.000 0.236 250 G C -0.253 174.494 174.900 -0.255 0.000 1.248 250 G CA -0.645 44.355 45.100 -0.167 0.000 0.844 250 G HN 0.407 nan 8.290 nan 0.000 0.588 251 F N -0.743 118.933 119.950 -0.457 0.000 3.030 251 F HA -0.195 4.334 4.527 0.004 0.000 0.309 251 F C 1.737 177.221 175.800 -0.526 0.000 0.941 251 F CA 1.394 59.059 58.000 -0.558 0.000 1.082 251 F CB -1.564 37.251 39.000 -0.308 0.000 1.113 251 F HN 1.712 nan 8.300 nan 0.000 0.716 252 G N -1.118 107.345 108.800 -0.561 0.000 2.195 252 G HA2 -0.422 3.540 3.960 0.004 0.000 0.246 252 G HA3 -0.422 3.540 3.960 0.004 0.000 0.246 252 G C 0.966 175.792 174.900 -0.124 0.000 0.984 252 G CA 0.582 45.329 45.100 -0.588 0.000 0.633 252 G HN 0.630 nan 8.290 nan 0.000 0.525 253 R N 1.453 121.992 120.500 0.064 0.000 2.105 253 R HA -0.051 4.292 4.340 0.004 0.000 0.239 253 R C 2.687 179.035 176.300 0.080 0.000 1.135 253 R CA 2.880 59.074 56.100 0.157 0.000 0.967 253 R CB -0.920 29.488 30.300 0.180 0.000 0.861 253 R HN 0.755 nan 8.270 nan 0.000 0.442 254 T N -3.908 110.692 114.554 0.077 0.000 3.144 254 T HA 0.317 4.669 4.350 0.004 0.000 0.249 254 T C 1.242 176.058 174.700 0.193 0.000 1.089 254 T CA 0.415 62.586 62.100 0.118 0.000 0.989 254 T CB 0.397 69.354 68.868 0.149 0.000 0.992 254 T HN 0.414 nan 8.240 nan 0.000 0.540 255 G N 1.019 109.914 108.800 0.158 0.000 2.284 255 G HA2 -0.171 3.791 3.960 0.004 0.000 0.216 255 G HA3 -0.171 3.791 3.960 0.004 0.000 0.216 255 G C -0.031 175.007 174.900 0.230 0.000 1.009 255 G CA -0.190 45.022 45.100 0.186 0.000 0.625 255 G HN 0.642 nan 8.290 nan 0.000 0.501 256 K N -0.210 120.262 120.400 0.120 0.000 2.281 256 K HA 0.651 4.974 4.320 0.004 0.000 0.242 256 K C 0.938 177.506 176.600 -0.053 0.000 0.971 256 K CA -0.819 55.505 56.287 0.062 0.000 0.834 256 K CB 2.336 34.666 32.500 -0.284 0.000 1.181 256 K HN 0.046 nan 8.250 nan 0.000 0.435 257 L N 1.159 122.333 121.223 -0.081 0.000 1.990 257 L HA -0.066 4.276 4.340 0.004 0.000 0.213 257 L C -0.085 176.215 176.870 -0.950 0.000 1.072 257 L CA 2.011 56.477 54.840 -0.623 0.000 0.755 257 L CB -0.106 41.708 42.059 -0.409 0.000 0.889 257 L HN 0.440 nan 8.230 nan 0.000 0.432 258 F N -2.359 117.480 119.950 -0.185 0.000 2.551 258 F HA 0.524 5.054 4.527 0.004 0.000 0.316 258 F C 1.024 176.758 175.800 -0.111 0.000 1.089 258 F CA -0.474 57.411 58.000 -0.193 0.000 0.915 258 F CB 1.161 40.041 39.000 -0.201 0.000 1.186 258 F HN -0.144 nan 8.300 nan 0.000 0.456 259 A N 0.508 123.400 122.820 0.120 0.000 2.067 259 A HA -0.114 4.208 4.320 0.004 0.000 0.219 259 A C 1.941 179.604 177.584 0.132 0.000 1.158 259 A CA 1.415 53.545 52.037 0.155 0.000 0.661 259 A CB -1.147 17.933 19.000 0.132 0.000 0.801 259 A HN 0.901 nan 8.150 nan 0.000 0.452 260 C N -0.191 119.166 119.300 0.095 0.000 2.410 260 C HA -0.115 4.347 4.460 0.004 0.000 0.281 260 C C 2.431 177.447 174.990 0.043 0.000 1.318 260 C CA 1.173 60.227 59.018 0.059 0.000 1.776 260 C CB -1.297 26.454 27.740 0.019 0.000 1.942 260 C HN 0.672 nan 8.230 nan 0.000 0.508 261 E N -0.462 119.747 120.200 0.016 0.000 2.265 261 E HA -0.215 4.137 4.350 0.004 0.000 0.196 261 E C 1.404 177.950 176.600 -0.091 0.000 0.996 261 E CA 1.031 57.406 56.400 -0.042 0.000 0.832 261 E CB -0.235 29.426 29.700 -0.065 0.000 0.756 261 E HN 0.781 nan 8.360 nan 0.000 0.491 262 H N -0.486 118.584 119.070 -0.001 0.000 2.518 262 H HA -0.022 4.536 4.556 0.004 0.000 0.289 262 H C 1.522 176.832 175.328 -0.030 0.000 1.051 262 H CA 1.112 57.143 56.048 -0.028 0.000 1.280 262 H CB 0.245 29.971 29.762 -0.060 0.000 1.380 262 H HN 0.158 nan 8.280 nan 0.000 0.566 263 A N -0.273 122.594 122.820 0.078 0.000 2.469 263 A HA 0.111 4.433 4.320 0.004 0.000 0.245 263 A C 0.390 177.987 177.584 0.020 0.000 1.221 263 A CA -0.146 51.919 52.037 0.046 0.000 0.946 263 A CB 0.632 19.666 19.000 0.057 0.000 1.049 263 A HN 0.310 nan 8.150 nan 0.000 0.529 264 E N -0.532 119.676 120.200 0.013 0.000 2.440 264 E HA -0.233 4.119 4.350 0.004 0.000 0.246 264 E C -0.262 176.341 176.600 0.005 0.000 1.165 264 E CA 1.176 57.579 56.400 0.004 0.000 0.726 264 E CB -2.139 27.561 29.700 -0.000 0.000 1.271 264 E HN 0.866 nan 8.360 nan 0.000 0.397 265 I N -3.408 117.168 120.570 0.009 0.000 2.910 265 I HA 0.804 4.976 4.170 0.004 0.000 0.310 265 I C -0.209 175.903 176.117 -0.008 0.000 1.043 265 I CA -0.952 60.351 61.300 0.004 0.000 1.053 265 I CB 2.118 40.127 38.000 0.014 0.000 1.242 265 I HN -0.046 nan 8.210 nan 0.000 0.452 266 A N 3.373 126.182 122.820 -0.019 0.000 2.355 266 A HA 0.931 5.253 4.320 0.004 0.000 0.317 266 A C -2.735 174.823 177.584 -0.044 0.000 1.094 266 A CA -1.528 50.484 52.037 -0.043 0.000 0.764 266 A CB 0.795 19.768 19.000 -0.046 0.000 1.230 266 A HN 0.667 nan 8.150 nan 0.000 0.448 267 P HA 0.319 nan 4.420 nan 0.000 0.279 267 P C -0.386 176.865 177.300 -0.082 0.000 1.276 267 P CA -0.250 62.813 63.100 -0.062 0.000 0.801 267 P CB 1.166 32.821 31.700 -0.075 0.000 1.127 268 D N -0.519 119.828 120.400 -0.088 0.000 2.183 268 D HA 0.102 4.744 4.640 0.004 0.000 0.205 268 D C 0.568 176.780 176.300 -0.147 0.000 0.962 268 D CA 1.308 55.232 54.000 -0.126 0.000 0.849 268 D CB 0.387 41.094 40.800 -0.156 0.000 0.978 268 D HN 0.314 nan 8.370 nan 0.000 0.488 269 I N 1.163 121.654 120.570 -0.132 0.000 2.533 269 I HA 0.262 4.434 4.170 0.004 0.000 0.290 269 I C -1.168 174.877 176.117 -0.120 0.000 1.056 269 I CA -0.879 60.340 61.300 -0.136 0.000 1.057 269 I CB 2.807 40.724 38.000 -0.139 0.000 1.240 269 I HN -0.207 nan 8.210 nan 0.000 0.423 270 L N 7.066 128.212 121.223 -0.128 0.000 2.381 270 L HA 0.622 4.964 4.340 0.004 0.000 0.274 270 L C -1.133 175.675 176.870 -0.103 0.000 0.988 270 L CA 0.003 54.761 54.840 -0.138 0.000 0.824 270 L CB 1.401 43.333 42.059 -0.213 0.000 1.263 270 L HN 0.660 nan 8.230 nan 0.000 0.410 271 C N 5.757 125.016 119.300 -0.069 0.000 2.303 271 C HA 0.730 5.192 4.460 0.004 0.000 0.326 271 C C -0.064 174.936 174.990 0.016 0.000 1.285 271 C CA -0.877 58.128 59.018 -0.021 0.000 1.675 271 C CB 0.233 27.964 27.740 -0.014 0.000 2.289 271 C HN 0.724 nan 8.230 nan 0.000 0.512 272 L N 2.749 124.012 121.223 0.067 0.000 2.354 272 L HA 0.959 5.301 4.340 0.004 0.000 0.264 272 L C 0.601 177.581 176.870 0.182 0.000 1.008 272 L CA -0.018 54.917 54.840 0.159 0.000 0.819 272 L CB 1.991 44.199 42.059 0.248 0.000 1.339 272 L HN 0.886 nan 8.230 nan 0.000 0.420 273 G N -0.574 108.365 108.800 0.232 0.000 2.604 273 G HA2 0.340 4.303 3.960 0.004 0.000 0.242 273 G HA3 0.340 4.303 3.960 0.004 0.000 0.242 273 G C -0.581 174.414 174.900 0.159 0.000 1.208 273 G CA -0.166 45.028 45.100 0.157 0.000 0.912 273 G HN 0.530 nan 8.290 nan 0.000 0.502 274 K N -1.145 119.308 120.400 0.089 0.000 4.822 274 K HA -0.390 3.932 4.320 0.004 0.000 0.252 274 K C 2.181 178.785 176.600 0.008 0.000 0.687 274 K CA 2.348 58.673 56.287 0.063 0.000 0.808 274 K CB -1.500 31.061 32.500 0.100 0.000 0.777 274 K HN 1.103 nan 8.250 nan 0.000 0.840 275 A N 1.022 123.857 122.820 0.025 0.000 2.225 275 A HA -0.081 4.241 4.320 0.004 0.000 0.215 275 A C 1.889 179.249 177.584 -0.374 0.000 1.164 275 A CA 1.568 53.522 52.037 -0.138 0.000 0.710 275 A CB -0.358 18.602 19.000 -0.066 0.000 0.780 275 A HN 0.403 nan 8.150 nan 0.000 0.473 276 L N 0.591 121.609 121.223 -0.342 0.000 2.043 276 L HA -0.155 4.188 4.340 0.004 0.000 0.212 276 L C 2.374 179.033 176.870 -0.352 0.000 1.075 276 L CA 2.845 57.355 54.840 -0.549 0.000 0.752 276 L CB -0.768 41.210 42.059 -0.134 0.000 0.891 276 L HN 0.517 nan 8.230 nan 0.000 0.432 277 T N -3.893 110.542 114.554 -0.197 0.000 3.122 277 T HA 0.390 4.742 4.350 0.004 0.000 0.250 277 T C 1.276 175.901 174.700 -0.125 0.000 1.067 277 T CA 0.169 62.187 62.100 -0.137 0.000 0.966 277 T CB -0.345 68.473 68.868 -0.083 0.000 1.002 277 T HN 0.657 nan 8.240 nan 0.000 0.542 278 G N 1.134 109.832 108.800 -0.170 0.000 2.179 278 G HA2 0.063 4.025 3.960 0.004 0.000 0.257 278 G HA3 0.063 4.025 3.960 0.004 0.000 0.257 278 G C 0.976 175.776 174.900 -0.166 0.000 1.010 278 G CA 0.145 45.152 45.100 -0.154 0.000 0.736 278 G HN 1.803 nan 8.290 nan 0.000 0.513 279 G N -1.512 107.207 108.800 -0.136 0.000 2.273 279 G HA2 -0.020 3.943 3.960 0.004 0.000 0.280 279 G HA3 -0.020 3.943 3.960 0.004 0.000 0.280 279 G C 1.129 175.993 174.900 -0.059 0.000 1.047 279 G CA 1.679 46.724 45.100 -0.092 0.000 0.869 279 G HN 2.115 nan 8.290 nan 0.000 0.502 280 T N -3.051 111.474 114.554 -0.049 0.000 3.040 280 T HA 0.535 4.887 4.350 0.004 0.000 0.252 280 T C 0.963 175.653 174.700 -0.018 0.000 1.064 280 T CA 1.357 63.442 62.100 -0.024 0.000 1.110 280 T CB 0.043 68.893 68.868 -0.029 0.000 0.921 280 T HN 1.584 nan 8.240 nan 0.000 0.480 281 M N -0.921 118.663 119.600 -0.026 0.000 2.918 281 M HA 0.425 4.907 4.480 0.004 0.000 0.272 281 M C -1.179 175.104 176.300 -0.029 0.000 1.082 281 M CA -0.926 54.356 55.300 -0.031 0.000 0.799 281 M CB 1.440 34.014 32.600 -0.044 0.000 1.659 281 M HN -0.202 nan 8.290 nan 0.000 0.533 282 T N 1.722 116.256 114.554 -0.032 0.000 2.870 282 T HA 0.637 4.990 4.350 0.004 0.000 0.300 282 T C -1.174 173.513 174.700 -0.021 0.000 0.989 282 T CA -0.033 62.054 62.100 -0.020 0.000 1.139 282 T CB 0.170 69.025 68.868 -0.020 0.000 0.920 282 T HN 0.604 nan 8.240 nan 0.000 0.537 283 L N 4.365 125.586 121.223 -0.003 0.000 2.556 283 L HA 0.715 5.057 4.340 0.004 0.000 0.257 283 L C -0.917 175.973 176.870 0.034 0.000 0.955 283 L CA -0.220 54.625 54.840 0.008 0.000 0.850 283 L CB 2.182 44.236 42.059 -0.008 0.000 1.398 283 L HN 0.764 nan 8.230 nan 0.000 0.412 284 S N 2.539 118.272 115.700 0.055 0.000 2.661 284 S HA 1.047 5.519 4.470 0.004 0.000 0.285 284 S C -1.106 173.554 174.600 0.100 0.000 1.138 284 S CA -0.139 58.111 58.200 0.082 0.000 0.855 284 S CB 1.934 65.183 63.200 0.081 0.000 1.136 284 S HN 1.573 nan 8.310 nan 0.000 0.484 285 A N 0.798 123.687 122.820 0.116 0.000 2.488 285 A HA 0.769 5.091 4.320 0.004 0.000 0.298 285 A C -0.713 176.930 177.584 0.097 0.000 1.044 285 A CA -0.713 51.396 52.037 0.121 0.000 0.693 285 A CB 1.664 20.732 19.000 0.114 0.000 1.272 285 A HN 0.802 nan 8.150 nan 0.000 0.402 286 T N 2.807 117.428 114.554 0.112 0.000 2.833 286 T HA 0.541 4.893 4.350 0.004 0.000 0.297 286 T C -0.645 174.067 174.700 0.021 0.000 1.015 286 T CA -0.092 62.029 62.100 0.036 0.000 0.963 286 T CB 0.286 69.152 68.868 -0.004 0.000 0.955 286 T HN 0.407 nan 8.240 nan 0.000 0.449 287 L N 2.608 123.809 121.223 -0.036 0.000 2.334 287 L HA 0.786 5.128 4.340 0.004 0.000 0.275 287 L C 0.747 177.559 176.870 -0.097 0.000 1.036 287 L CA -0.030 54.778 54.840 -0.053 0.000 0.807 287 L CB 1.906 43.919 42.059 -0.077 0.000 1.231 287 L HN 0.597 nan 8.230 nan 0.000 0.438 288 T N -0.763 113.732 114.554 -0.098 0.000 2.654 288 T HA 0.613 4.965 4.350 0.004 0.000 0.289 288 T C -0.672 173.961 174.700 -0.112 0.000 1.062 288 T CA -0.129 61.891 62.100 -0.133 0.000 1.041 288 T CB 1.379 70.137 68.868 -0.183 0.000 1.417 288 T HN 0.738 nan 8.240 nan 0.000 0.510 289 T N -0.464 114.012 114.554 -0.130 0.000 2.934 289 T HA 0.438 4.790 4.350 0.004 0.000 0.283 289 T C 1.138 175.789 174.700 -0.082 0.000 1.005 289 T CA -0.609 61.431 62.100 -0.100 0.000 1.041 289 T CB 1.281 70.084 68.868 -0.109 0.000 1.042 289 T HN 0.634 nan 8.240 nan 0.000 0.505 290 R N 0.437 120.905 120.500 -0.053 0.000 2.105 290 R HA -0.147 4.196 4.340 0.004 0.000 0.239 290 R C 2.247 178.530 176.300 -0.028 0.000 1.135 290 R CA 1.927 58.007 56.100 -0.034 0.000 0.967 290 R CB -0.490 29.797 30.300 -0.022 0.000 0.861 290 R HN 0.867 nan 8.270 nan 0.000 0.442 291 E N -0.169 120.012 120.200 -0.031 0.000 2.058 291 E HA -0.153 4.200 4.350 0.004 0.000 0.194 291 E C 1.744 178.365 176.600 0.035 0.000 0.997 291 E CA 2.024 58.425 56.400 0.002 0.000 0.801 291 E CB -0.379 29.319 29.700 -0.004 0.000 0.746 291 E HN 0.185 nan 8.360 nan 0.000 0.450 292 V N 0.911 120.780 119.914 -0.076 0.000 2.307 292 V HA -0.227 3.896 4.120 0.004 0.000 0.245 292 V C 2.454 178.528 176.094 -0.033 0.000 1.045 292 V CA 1.925 64.155 62.300 -0.116 0.000 1.024 292 V CB -1.045 30.575 31.823 -0.339 0.000 0.651 292 V HN 0.497 nan 8.190 nan 0.000 0.449 293 A N -0.575 122.202 122.820 -0.071 0.000 1.933 293 A HA -0.245 4.077 4.320 0.004 0.000 0.218 293 A C 2.173 179.754 177.584 -0.005 0.000 1.175 293 A CA 1.960 53.964 52.037 -0.055 0.000 0.628 293 A CB -0.429 18.543 19.000 -0.047 0.000 0.814 293 A HN 0.647 nan 8.150 nan 0.000 0.444 294 E N -1.005 119.197 120.200 0.003 0.000 2.072 294 E HA -0.100 4.253 4.350 0.004 0.000 0.190 294 E C 2.106 178.712 176.600 0.010 0.000 0.982 294 E CA 1.388 57.794 56.400 0.010 0.000 0.803 294 E CB -0.337 29.365 29.700 0.004 0.000 0.755 294 E HN 0.576 nan 8.360 nan 0.000 0.453 295 T N 1.879 116.442 114.554 0.015 0.000 2.665 295 T HA -0.180 4.172 4.350 0.004 0.000 0.268 295 T C 2.008 176.693 174.700 -0.025 0.000 1.035 295 T CA 1.121 63.201 62.100 -0.032 0.000 1.151 295 T CB -0.262 68.558 68.868 -0.080 0.000 0.862 295 T HN 0.109 nan 8.240 nan 0.000 0.438 296 I N 0.958 121.543 120.570 0.026 0.000 2.163 296 I HA -0.180 3.992 4.170 0.004 0.000 0.243 296 I C 2.640 178.795 176.117 0.063 0.000 1.085 296 I CA 1.063 62.397 61.300 0.056 0.000 1.347 296 I CB -0.357 37.700 38.000 0.095 0.000 1.044 296 I HN 0.167 nan 8.210 nan 0.000 0.408 297 S N 0.683 116.419 115.700 0.060 0.000 2.442 297 S HA -0.093 4.379 4.470 0.004 0.000 0.236 297 S C 1.497 176.116 174.600 0.032 0.000 1.007 297 S CA 0.934 59.169 58.200 0.058 0.000 0.965 297 S CB -0.280 62.952 63.200 0.053 0.000 0.773 297 S HN 0.440 nan 8.310 nan 0.000 0.504 298 N N 0.998 119.706 118.700 0.013 0.000 2.353 298 N HA 0.127 4.869 4.740 0.004 0.000 0.185 298 N C 0.833 176.340 175.510 -0.005 0.000 1.098 298 N CA 0.115 53.165 53.050 -0.001 0.000 0.872 298 N CB 0.004 38.483 38.487 -0.014 0.000 0.970 298 N HN 0.349 nan 8.380 nan 0.000 0.467 299 G N 0.323 109.123 108.800 0.000 0.000 2.563 299 G HA2 0.085 4.047 3.960 0.004 0.000 0.283 299 G HA3 0.085 4.047 3.960 0.004 0.000 0.283 299 G C 0.833 175.739 174.900 0.010 0.000 1.309 299 G CA -0.339 44.761 45.100 -0.001 0.000 1.022 299 G HN 0.034 nan 8.290 nan 0.000 0.501 300 E N -0.264 119.942 120.200 0.010 0.000 2.082 300 E HA -0.343 4.009 4.350 0.004 0.000 0.215 300 E C 2.869 179.478 176.600 0.016 0.000 1.048 300 E CA 1.704 58.111 56.400 0.012 0.000 0.869 300 E CB -0.338 29.370 29.700 0.012 0.000 0.773 300 E HN 0.479 nan 8.360 nan 0.000 0.466 301 A N -0.136 122.698 122.820 0.023 0.000 1.870 301 A HA -0.214 4.108 4.320 0.004 0.000 0.219 301 A C 2.214 179.815 177.584 0.027 0.000 1.224 301 A CA 2.935 54.987 52.037 0.025 0.000 0.650 301 A CB -1.021 18.001 19.000 0.037 0.000 0.836 301 A HN 0.584 nan 8.150 nan 0.000 0.454 302 G N -3.395 105.427 108.800 0.038 0.000 2.211 302 G HA2 -0.066 3.896 3.960 0.004 0.000 0.201 302 G HA3 -0.066 3.896 3.960 0.004 0.000 0.201 302 G C 0.534 175.468 174.900 0.056 0.000 0.997 302 G CA 0.482 45.604 45.100 0.036 0.000 0.652 302 G HN 2.355 nan 8.290 nan 0.000 0.500 303 C N -1.574 117.772 119.300 0.076 0.000 3.284 303 C HA 0.705 5.168 4.460 0.004 0.000 0.338 303 C C -0.150 174.944 174.990 0.173 0.000 1.237 303 C CA -1.512 57.577 59.018 0.119 0.000 1.276 303 C CB 0.554 28.350 27.740 0.093 0.000 1.601 303 C HN 1.291 nan 8.230 nan 0.000 0.494 304 F N 4.793 124.785 119.950 0.069 0.000 2.557 304 F HA 0.445 4.974 4.527 0.004 0.000 0.384 304 F C 0.800 176.660 175.800 0.101 0.000 1.057 304 F CA -0.585 57.457 58.000 0.069 0.000 1.169 304 F CB 0.636 39.678 39.000 0.071 0.000 1.070 304 F HN 0.619 nan 8.300 nan 0.000 0.554 305 M N 7.590 126.959 119.600 -0.386 0.000 3.596 305 M HA 0.105 4.588 4.480 0.004 0.000 0.219 305 M C -0.888 175.149 176.300 -0.438 0.000 1.471 305 M CA 0.557 55.669 55.300 -0.314 0.000 1.644 305 M CB -1.701 30.791 32.600 -0.179 0.000 1.083 305 M HN 0.686 nan 8.290 nan 0.000 0.579 306 H N -1.050 117.732 119.070 -0.479 0.000 3.079 306 H HA 0.626 5.184 4.556 0.004 0.000 0.356 306 H C -0.487 174.937 175.328 0.161 0.000 1.221 306 H CA -0.281 55.612 56.048 -0.258 0.000 1.185 306 H CB 1.930 31.355 29.762 -0.563 0.000 1.882 306 H HN 0.526 nan 8.280 nan 0.000 0.543 307 G N 3.851 112.799 108.800 0.245 0.000 3.532 307 G HA2 0.187 4.149 3.960 0.004 0.000 0.272 307 G HA3 0.187 4.149 3.960 0.004 0.000 0.272 307 G C -3.053 171.947 174.900 0.167 0.000 3.843 307 G CA -0.843 44.424 45.100 0.279 0.000 0.482 307 G HN 0.410 nan 8.290 nan 0.000 0.274 308 P HA 0.337 nan 4.420 nan 0.000 0.272 308 P C 1.387 178.759 177.300 0.120 0.000 1.223 308 P CA -0.215 62.992 63.100 0.177 0.000 0.784 308 P CB 1.000 32.854 31.700 0.258 0.000 0.923 309 T N 0.480 115.075 114.554 0.067 0.000 2.665 309 T HA -0.157 4.196 4.350 0.004 0.000 0.268 309 T C 0.904 175.506 174.700 -0.164 0.000 1.035 309 T CA 1.670 63.721 62.100 -0.081 0.000 1.151 309 T CB -0.665 68.089 68.868 -0.190 0.000 0.862 309 T HN 0.351 nan 8.240 nan 0.000 0.438 310 F N 0.502 120.468 119.950 0.027 0.000 2.660 310 F HA 0.431 4.960 4.527 0.004 0.000 0.302 310 F C 0.804 176.643 175.800 0.064 0.000 1.103 310 F CA -0.612 57.369 58.000 -0.032 0.000 1.340 310 F CB -0.597 38.281 39.000 -0.204 0.000 1.048 310 F HN 0.105 nan 8.300 nan 0.000 0.551 311 M N 0.371 120.072 119.600 0.169 0.000 2.243 311 M HA 0.112 4.595 4.480 0.004 0.000 0.365 311 M C 1.398 177.578 176.300 -0.200 0.000 1.327 311 M CA 1.662 56.971 55.300 0.016 0.000 0.918 311 M CB 0.087 32.707 32.600 0.033 0.000 1.894 311 M HN 0.518 nan 8.290 nan 0.000 0.473 312 G N 3.188 111.739 108.800 -0.416 0.000 2.162 312 G HA2 -0.345 3.618 3.960 0.004 0.000 0.260 312 G HA3 -0.345 3.618 3.960 0.004 0.000 0.260 312 G C 0.040 174.838 174.900 -0.171 0.000 0.976 312 G CA 0.490 45.142 45.100 -0.746 0.000 0.655 312 G HN 1.010 nan 8.290 nan 0.000 0.533 313 N N 1.312 120.039 118.700 0.046 0.000 2.047 313 N HA 0.104 4.846 4.740 0.004 0.000 0.292 313 N C -0.268 175.275 175.510 0.054 0.000 1.356 313 N CA 0.060 53.228 53.050 0.198 0.000 0.836 313 N CB 0.601 39.179 38.487 0.151 0.000 1.113 313 N HN 0.180 nan 8.380 nan 0.000 0.495 314 P HA -0.207 nan 4.420 nan 0.000 0.216 314 P C 1.457 178.723 177.300 -0.057 0.000 1.154 314 P CA 0.719 63.696 63.100 -0.205 0.000 0.865 314 P CB 0.117 31.587 31.700 -0.384 0.000 0.789 315 L N -0.291 120.922 121.223 -0.018 0.000 1.994 315 L HA -0.087 4.255 4.340 0.004 0.000 0.208 315 L C 2.249 179.110 176.870 -0.016 0.000 1.071 315 L CA 2.242 57.074 54.840 -0.014 0.000 0.745 315 L CB -1.656 40.399 42.059 -0.006 0.000 0.892 315 L HN -0.107 nan 8.230 nan 0.000 0.431 316 A N -1.620 121.193 122.820 -0.013 0.000 1.930 316 A HA -0.199 4.123 4.320 0.004 0.000 0.217 316 A C 2.387 179.960 177.584 -0.019 0.000 1.175 316 A CA 1.615 53.638 52.037 -0.022 0.000 0.627 316 A CB -1.407 17.578 19.000 -0.025 0.000 0.815 316 A HN 0.630 nan 8.150 nan 0.000 0.443 317 C N -1.001 118.298 119.300 -0.001 0.000 2.425 317 C HA 0.055 4.518 4.460 0.004 0.000 0.277 317 C C 3.296 178.289 174.990 0.005 0.000 1.280 317 C CA 0.760 59.785 59.018 0.012 0.000 1.744 317 C CB -1.295 26.484 27.740 0.065 0.000 1.989 317 C HN 0.704 nan 8.230 nan 0.000 0.491 318 A N 0.500 123.321 122.820 0.002 0.000 1.902 318 A HA 0.078 4.400 4.320 0.004 0.000 0.217 318 A C 2.357 179.927 177.584 -0.023 0.000 1.181 318 A CA 2.025 54.058 52.037 -0.005 0.000 0.623 318 A CB -0.840 18.155 19.000 -0.008 0.000 0.818 318 A HN 0.562 nan 8.150 nan 0.000 0.443 319 A N -0.089 122.712 122.820 -0.032 0.000 1.877 319 A HA 0.176 4.498 4.320 0.004 0.000 0.216 319 A C 2.516 180.059 177.584 -0.069 0.000 1.186 319 A CA 2.059 54.068 52.037 -0.047 0.000 0.620 319 A CB -1.052 17.921 19.000 -0.045 0.000 0.822 319 A HN 1.054 nan 8.150 nan 0.000 0.443 320 A N 0.161 122.940 122.820 -0.068 0.000 1.902 320 A HA -0.209 4.113 4.320 0.004 0.000 0.217 320 A C 1.966 179.496 177.584 -0.089 0.000 1.181 320 A CA 1.819 53.796 52.037 -0.099 0.000 0.623 320 A CB -0.650 18.300 19.000 -0.082 0.000 0.818 320 A HN 0.537 nan 8.150 nan 0.000 0.443 321 N N 0.386 119.056 118.700 -0.050 0.000 2.120 321 N HA -0.121 4.622 4.740 0.004 0.000 0.188 321 N C 1.895 177.372 175.510 -0.055 0.000 1.024 321 N CA 1.582 54.612 53.050 -0.034 0.000 0.852 321 N CB -0.535 37.947 38.487 -0.008 0.000 1.003 321 N HN 0.467 nan 8.380 nan 0.000 0.424 322 A N 0.055 122.833 122.820 -0.069 0.000 1.933 322 A HA -0.108 4.214 4.320 0.004 0.000 0.218 322 A C 2.458 179.935 177.584 -0.179 0.000 1.175 322 A CA 1.877 53.854 52.037 -0.100 0.000 0.628 322 A CB -0.757 18.190 19.000 -0.087 0.000 0.814 322 A HN 0.335 nan 8.150 nan 0.000 0.444 323 S N -0.442 115.156 115.700 -0.172 0.000 2.368 323 S HA -0.061 4.411 4.470 0.004 0.000 0.224 323 S C 1.900 176.424 174.600 -0.127 0.000 1.029 323 S CA 1.328 59.420 58.200 -0.179 0.000 0.988 323 S CB -0.456 62.696 63.200 -0.080 0.000 0.838 323 S HN 0.497 nan 8.310 nan 0.000 0.462 324 L N 1.052 122.206 121.223 -0.115 0.000 2.156 324 L HA 0.032 4.374 4.340 0.004 0.000 0.208 324 L C 2.956 179.815 176.870 -0.019 0.000 1.095 324 L CA 0.960 55.766 54.840 -0.058 0.000 0.770 324 L CB -0.722 41.322 42.059 -0.025 0.000 0.914 324 L HN 0.396 nan 8.230 nan 0.000 0.439 325 A N 0.759 123.551 122.820 -0.045 0.000 1.902 325 A HA -0.188 4.134 4.320 0.004 0.000 0.217 325 A C 2.224 179.791 177.584 -0.028 0.000 1.181 325 A CA 1.530 53.552 52.037 -0.025 0.000 0.623 325 A CB -0.630 18.349 19.000 -0.034 0.000 0.818 325 A HN 0.339 nan 8.150 nan 0.000 0.443 326 I N -0.238 120.261 120.570 -0.117 0.000 2.163 326 I HA -0.288 3.885 4.170 0.004 0.000 0.243 326 I C 2.308 178.460 176.117 0.060 0.000 1.085 326 I CA 1.300 62.527 61.300 -0.121 0.000 1.347 326 I CB -0.398 37.309 38.000 -0.488 0.000 1.044 326 I HN 0.288 nan 8.210 nan 0.000 0.408 327 L N 0.229 121.514 121.223 0.103 0.000 2.191 327 L HA -0.191 4.151 4.340 0.004 0.000 0.212 327 L C 2.373 179.419 176.870 0.294 0.000 1.103 327 L CA 1.238 56.223 54.840 0.241 0.000 0.769 327 L CB -0.650 41.446 42.059 0.062 0.000 0.908 327 L HN 0.297 nan 8.230 nan 0.000 0.438 328 E N -0.005 120.295 120.200 0.167 0.000 2.204 328 E HA -0.200 4.152 4.350 0.004 0.000 0.195 328 E C 2.286 178.970 176.600 0.139 0.000 0.990 328 E CA 1.375 57.864 56.400 0.149 0.000 0.821 328 E CB -0.033 29.721 29.700 0.091 0.000 0.750 328 E HN 0.558 nan 8.360 nan 0.000 0.477 329 S N -0.639 115.141 115.700 0.133 0.000 2.399 329 S HA -0.067 4.405 4.470 0.004 0.000 0.231 329 S C 1.865 176.512 174.600 0.078 0.000 1.022 329 S CA 1.013 59.270 58.200 0.094 0.000 0.983 329 S CB -0.102 63.150 63.200 0.087 0.000 0.803 329 S HN 0.412 nan 8.310 nan 0.000 0.480 330 G N 1.101 109.983 108.800 0.136 0.000 2.217 330 G HA2 -0.280 3.682 3.960 0.004 0.000 0.246 330 G HA3 -0.280 3.682 3.960 0.004 0.000 0.246 330 G C 0.449 175.217 174.900 -0.220 0.000 0.990 330 G CA 0.465 45.525 45.100 -0.067 0.000 0.627 330 G HN 0.501 nan 8.290 nan 0.000 0.522 331 D N 0.220 120.612 120.400 -0.015 0.000 2.239 331 D HA -0.128 4.514 4.640 0.004 0.000 0.202 331 D C 2.246 178.539 176.300 -0.012 0.000 0.993 331 D CA 1.574 55.571 54.000 -0.006 0.000 0.874 331 D CB -0.442 40.408 40.800 0.083 0.000 0.922 331 D HN 0.872 nan 8.370 nan 0.000 0.464 332 W N 1.278 122.606 121.300 0.047 0.000 2.363 332 W HA -0.151 4.511 4.660 0.004 0.000 0.296 332 W C 1.494 177.944 176.519 -0.116 0.000 1.212 332 W CA 0.504 57.848 57.345 -0.003 0.000 1.260 332 W CB -0.995 28.503 29.460 0.064 0.000 1.131 332 W HN 0.064 nan 8.180 nan 0.000 0.530 333 Q N 0.881 119.969 119.800 -1.187 0.000 2.061 333 Q HA -0.300 4.042 4.340 0.004 0.000 0.204 333 Q C 2.347 178.080 176.000 -0.445 0.000 0.984 333 Q CA 2.483 57.620 55.803 -1.110 0.000 0.846 333 Q CB -0.426 27.656 28.738 -1.092 0.000 0.902 333 Q HN 0.279 nan 8.270 nan 0.000 0.421 334 Q N 0.720 120.329 119.800 -0.319 0.000 2.083 334 Q HA -0.152 4.191 4.340 0.004 0.000 0.198 334 Q C 1.852 177.794 176.000 -0.096 0.000 0.969 334 Q CA 1.518 57.220 55.803 -0.168 0.000 0.838 334 Q CB 0.115 28.776 28.738 -0.129 0.000 0.900 334 Q HN 0.339 nan 8.270 nan 0.000 0.436 335 Q N -1.060 118.704 119.800 -0.060 0.000 2.050 335 Q HA -0.132 4.210 4.340 0.004 0.000 0.202 335 Q C 2.089 178.071 176.000 -0.030 0.000 0.980 335 Q CA 1.802 57.606 55.803 0.002 0.000 0.840 335 Q CB -0.055 28.737 28.738 0.090 0.000 0.898 335 Q HN 0.250 nan 8.270 nan 0.000 0.424 336 V N 0.804 120.658 119.914 -0.101 0.000 2.295 336 V HA -0.279 3.843 4.120 0.004 0.000 0.246 336 V C 2.231 178.294 176.094 -0.052 0.000 1.049 336 V CA 1.803 64.033 62.300 -0.117 0.000 1.024 336 V CB -0.977 30.752 31.823 -0.157 0.000 0.648 336 V HN 0.424 nan 8.190 nan 0.000 0.447 337 A N -0.149 122.632 122.820 -0.064 0.000 1.940 337 A HA -0.257 4.065 4.320 0.004 0.000 0.219 337 A C 1.969 179.538 177.584 -0.026 0.000 1.176 337 A CA 2.092 54.101 52.037 -0.046 0.000 0.631 337 A CB -0.578 18.380 19.000 -0.071 0.000 0.814 337 A HN 0.553 nan 8.150 nan 0.000 0.446 338 D N -0.246 120.139 120.400 -0.025 0.000 2.183 338 D HA -0.040 4.602 4.640 0.004 0.000 0.203 338 D C 1.820 178.124 176.300 0.007 0.000 0.969 338 D CA 0.800 54.795 54.000 -0.008 0.000 0.842 338 D CB -0.258 40.539 40.800 -0.004 0.000 0.957 338 D HN 0.526 nan 8.370 nan 0.000 0.484 339 I N 0.882 121.458 120.570 0.011 0.000 2.252 339 I HA -0.213 3.959 4.170 0.004 0.000 0.245 339 I C 2.444 178.575 176.117 0.023 0.000 1.102 339 I CA 0.897 62.214 61.300 0.028 0.000 1.385 339 I CB -0.084 37.943 38.000 0.046 0.000 1.064 339 I HN -0.024 nan 8.210 nan 0.000 0.414 340 E N 0.830 121.038 120.200 0.014 0.000 2.049 340 E HA -0.231 4.122 4.350 0.004 0.000 0.198 340 E C 2.282 178.890 176.600 0.013 0.000 1.007 340 E CA 1.996 58.404 56.400 0.014 0.000 0.809 340 E CB 0.077 29.782 29.700 0.009 0.000 0.749 340 E HN 0.241 nan 8.360 nan 0.000 0.450 341 V N 0.902 120.822 119.914 0.009 0.000 2.343 341 V HA -0.286 3.837 4.120 0.004 0.000 0.247 341 V C 2.563 178.665 176.094 0.014 0.000 1.051 341 V CA 2.284 64.590 62.300 0.009 0.000 1.036 341 V CB -0.641 31.184 31.823 0.004 0.000 0.654 341 V HN 0.397 nan 8.190 nan 0.000 0.451 342 Q N -0.605 119.204 119.800 0.016 0.000 2.167 342 Q HA -0.139 4.203 4.340 0.004 0.000 0.202 342 Q C 2.211 178.225 176.000 0.023 0.000 0.970 342 Q CA 1.427 57.242 55.803 0.020 0.000 0.855 342 Q CB -0.052 28.699 28.738 0.022 0.000 0.911 342 Q HN 0.617 nan 8.270 nan 0.000 0.438 343 L N -0.169 121.070 121.223 0.025 0.000 2.072 343 L HA -0.139 4.204 4.340 0.004 0.000 0.205 343 L C 2.618 179.504 176.870 0.027 0.000 1.079 343 L CA 1.011 55.868 54.840 0.029 0.000 0.752 343 L CB -0.347 41.733 42.059 0.033 0.000 0.906 343 L HN 0.165 nan 8.230 nan 0.000 0.436 344 R N 0.023 120.536 120.500 0.023 0.000 2.094 344 R HA -0.252 4.091 4.340 0.004 0.000 0.239 344 R C 2.216 178.529 176.300 0.021 0.000 1.137 344 R CA 2.009 58.121 56.100 0.021 0.000 0.943 344 R CB -0.479 29.830 30.300 0.016 0.000 0.850 344 R HN 0.411 nan 8.270 nan 0.000 0.433 345 E N 0.907 121.119 120.200 0.020 0.000 2.051 345 E HA -0.215 4.137 4.350 0.004 0.000 0.192 345 E C 1.920 178.533 176.600 0.023 0.000 0.991 345 E CA 1.286 57.698 56.400 0.019 0.000 0.799 345 E CB 0.163 29.873 29.700 0.017 0.000 0.748 345 E HN 0.394 nan 8.360 nan 0.000 0.449 346 Q N -0.462 119.354 119.800 0.026 0.000 2.389 346 Q HA 0.044 4.386 4.340 0.004 0.000 0.204 346 Q C 1.989 178.011 176.000 0.037 0.000 0.944 346 Q CA 0.362 56.183 55.803 0.030 0.000 0.908 346 Q CB 0.423 29.179 28.738 0.030 0.000 1.002 346 Q HN 0.347 nan 8.270 nan 0.000 0.493 347 L N -0.526 120.719 121.223 0.036 0.000 2.513 347 L HA 0.180 4.522 4.340 0.004 0.000 0.222 347 L C 2.269 179.161 176.870 0.037 0.000 1.096 347 L CA 0.141 55.006 54.840 0.042 0.000 0.857 347 L CB -0.230 41.856 42.059 0.045 0.000 1.026 347 L HN 0.117 nan 8.230 nan 0.000 0.469 348 A N 1.527 124.364 122.820 0.029 0.000 1.927 348 A HA -0.165 4.157 4.320 0.004 0.000 0.220 348 A C -0.142 177.455 177.584 0.023 0.000 1.185 348 A CA 1.853 53.905 52.037 0.024 0.000 0.639 348 A CB -1.757 17.255 19.000 0.020 0.000 0.820 348 A HN 0.269 nan 8.150 nan 0.000 0.451 349 P HA -0.075 nan 4.420 nan 0.000 0.221 349 P C 1.499 178.814 177.300 0.025 0.000 1.145 349 P CA 1.519 64.633 63.100 0.024 0.000 0.795 349 P CB -0.098 31.619 31.700 0.029 0.000 0.775 350 A N 0.030 122.870 122.820 0.032 0.000 2.015 350 A HA -0.182 4.140 4.320 0.004 0.000 0.219 350 A C 2.166 179.760 177.584 0.017 0.000 1.163 350 A CA 1.083 53.141 52.037 0.034 0.000 0.646 350 A CB -0.952 18.079 19.000 0.051 0.000 0.806 350 A HN 0.089 nan 8.150 nan 0.000 0.448 351 R N -0.122 120.386 120.500 0.014 0.000 2.211 351 R HA -0.128 4.214 4.340 0.004 0.000 0.240 351 R C 0.476 176.771 176.300 -0.009 0.000 1.144 351 R CA 1.345 57.447 56.100 0.003 0.000 0.992 351 R CB -0.209 30.095 30.300 0.006 0.000 0.869 351 R HN 0.456 nan 8.270 nan 0.000 0.462 352 D N -0.078 120.318 120.400 -0.006 0.000 2.339 352 D HA 0.091 4.733 4.640 0.004 0.000 0.217 352 D C 0.096 176.382 176.300 -0.024 0.000 1.050 352 D CA 0.207 54.199 54.000 -0.014 0.000 0.856 352 D CB 0.315 41.112 40.800 -0.006 0.000 0.922 352 D HN 0.165 nan 8.370 nan 0.000 0.518 353 A N 0.986 123.790 122.820 -0.027 0.000 2.371 353 A HA 0.199 4.521 4.320 0.004 0.000 0.257 353 A C 1.327 178.859 177.584 -0.085 0.000 1.089 353 A CA -0.390 51.620 52.037 -0.045 0.000 0.794 353 A CB 0.552 19.534 19.000 -0.029 0.000 1.029 353 A HN 0.081 nan 8.150 nan 0.000 0.488 354 E N 1.921 122.054 120.200 -0.112 0.000 2.077 354 E HA -0.209 4.143 4.350 0.004 0.000 0.193 354 E C 1.031 177.489 176.600 -0.236 0.000 0.989 354 E CA 1.348 57.657 56.400 -0.151 0.000 0.800 354 E CB -0.329 29.281 29.700 -0.150 0.000 0.746 354 E HN 0.570 nan 8.360 nan 0.000 0.452 355 M N 1.165 120.578 119.600 -0.312 0.000 2.630 355 M HA 0.102 4.584 4.480 0.004 0.000 0.254 355 M C 0.140 176.230 176.300 -0.351 0.000 1.092 355 M CA 0.331 55.322 55.300 -0.515 0.000 1.087 355 M CB -0.089 32.037 32.600 -0.789 0.000 1.453 355 M HN -0.064 nan 8.290 nan 0.000 0.509 356 V N 0.053 119.852 119.914 -0.192 0.000 2.472 356 V HA 0.482 4.604 4.120 0.004 0.000 0.290 356 V C 1.015 177.059 176.094 -0.084 0.000 1.037 356 V CA -0.191 62.050 62.300 -0.099 0.000 0.908 356 V CB 1.412 33.213 31.823 -0.038 0.000 0.985 356 V HN 0.311 nan 8.190 nan 0.000 0.454 357 A N 3.287 126.075 122.820 -0.053 0.000 1.993 357 A HA 0.371 4.693 4.320 0.004 0.000 0.207 357 A C 0.463 178.038 177.584 -0.016 0.000 1.224 357 A CA 0.678 52.691 52.037 -0.039 0.000 0.749 357 A CB 0.170 19.151 19.000 -0.032 0.000 0.884 357 A HN 0.806 nan 8.150 nan 0.000 0.467 358 D N -2.272 118.127 120.400 -0.002 0.000 2.769 358 D HA 0.445 5.087 4.640 0.004 0.000 0.219 358 D C -1.802 174.511 176.300 0.021 0.000 1.245 358 D CA -0.164 53.842 54.000 0.009 0.000 0.801 358 D CB 1.944 42.751 40.800 0.010 0.000 1.598 358 D HN -0.031 nan 8.370 nan 0.000 0.485 359 V N 3.682 123.610 119.914 0.023 0.000 2.487 359 V HA 0.707 4.829 4.120 0.004 0.000 0.298 359 V C -0.417 175.693 176.094 0.026 0.000 1.028 359 V CA -0.574 61.745 62.300 0.030 0.000 0.860 359 V CB 1.515 33.356 31.823 0.030 0.000 0.991 359 V HN 0.624 nan 8.190 nan 0.000 0.427 360 R N 3.479 123.995 120.500 0.027 0.000 2.698 360 R HA 0.944 5.286 4.340 0.004 0.000 0.275 360 R C -2.125 174.185 176.300 0.018 0.000 1.001 360 R CA -0.852 55.260 56.100 0.019 0.000 0.896 360 R CB 2.401 32.709 30.300 0.014 0.000 1.218 360 R HN 0.319 nan 8.270 nan 0.000 0.462 361 V N 2.601 122.521 119.914 0.009 0.000 2.808 361 V HA 0.535 4.657 4.120 0.004 0.000 0.308 361 V C -1.538 174.552 176.094 -0.008 0.000 1.099 361 V CA -0.816 61.490 62.300 0.009 0.000 0.920 361 V CB 2.077 33.910 31.823 0.017 0.000 1.014 361 V HN 0.703 nan 8.190 nan 0.000 0.425 362 L N 4.305 125.522 121.223 -0.010 0.000 2.516 362 L HA 0.859 5.201 4.340 0.004 0.000 0.267 362 L C 0.425 177.298 176.870 0.004 0.000 0.957 362 L CA 1.331 56.155 54.840 -0.026 0.000 0.860 362 L CB 1.439 43.452 42.059 -0.076 0.000 1.265 362 L HN 1.092 nan 8.230 nan 0.000 0.403 363 G N 3.997 112.810 108.800 0.021 0.000 2.651 363 G HA2 -0.211 3.752 3.960 0.004 0.000 0.315 363 G HA3 -0.211 3.752 3.960 0.004 0.000 0.315 363 G C 0.528 175.447 174.900 0.033 0.000 1.258 363 G CA 0.515 45.636 45.100 0.034 0.000 1.002 363 G HN 1.844 nan 8.290 nan 0.000 0.551 364 A N -0.032 122.818 122.820 0.050 0.000 2.988 364 A HA 0.682 5.004 4.320 0.004 0.000 0.288 364 A C 0.317 177.964 177.584 0.106 0.000 1.385 364 A CA 0.087 52.177 52.037 0.088 0.000 1.001 364 A CB -0.462 18.627 19.000 0.148 0.000 1.071 364 A HN 0.720 nan 8.150 nan 0.000 0.608 365 I N 0.124 120.737 120.570 0.072 0.000 2.478 365 I HA 0.519 4.691 4.170 0.004 0.000 0.287 365 I C 0.259 176.412 176.117 0.059 0.000 1.042 365 I CA -0.579 60.763 61.300 0.071 0.000 1.067 365 I CB 2.326 40.341 38.000 0.025 0.000 1.233 365 I HN 0.261 nan 8.210 nan 0.000 0.431 366 G N 5.555 114.405 108.800 0.084 0.000 2.609 366 G HA2 0.667 4.630 3.960 0.004 0.000 0.308 366 G HA3 0.667 4.630 3.960 0.004 0.000 0.308 366 G C -1.252 173.711 174.900 0.106 0.000 1.369 366 G CA -0.424 44.719 45.100 0.072 0.000 0.958 366 G HN 0.304 nan 8.290 nan 0.000 0.499 367 V N 2.337 122.301 119.914 0.084 0.000 2.487 367 V HA 0.477 4.599 4.120 0.004 0.000 0.298 367 V C -0.354 175.793 176.094 0.088 0.000 1.028 367 V CA -0.779 61.584 62.300 0.105 0.000 0.860 367 V CB 1.899 33.752 31.823 0.049 0.000 0.991 367 V HN 0.546 nan 8.190 nan 0.000 0.427 368 V N 4.013 123.996 119.914 0.115 0.000 2.313 368 V HA 0.357 4.480 4.120 0.004 0.000 0.278 368 V C 0.118 176.274 176.094 0.104 0.000 1.017 368 V CA -0.503 61.857 62.300 0.100 0.000 0.823 368 V CB 1.341 33.234 31.823 0.116 0.000 1.010 368 V HN 0.965 nan 8.190 nan 0.000 0.443 369 E N 3.704 123.944 120.200 0.066 0.000 2.229 369 E HA 0.433 4.785 4.350 0.004 0.000 0.283 369 E C 0.216 176.841 176.600 0.041 0.000 1.030 369 E CA -0.342 56.089 56.400 0.051 0.000 0.836 369 E CB 1.037 30.750 29.700 0.021 0.000 1.068 369 E HN 0.820 nan 8.360 nan 0.000 0.401 370 T N 0.440 115.031 114.554 0.062 0.000 2.923 370 T HA 0.219 4.571 4.350 0.004 0.000 0.281 370 T C 1.239 175.926 174.700 -0.021 0.000 0.995 370 T CA -0.075 62.037 62.100 0.020 0.000 0.985 370 T CB 1.457 70.410 68.868 0.143 0.000 1.114 370 T HN 0.502 nan 8.240 nan 0.000 0.548 371 T N -2.287 112.183 114.554 -0.139 0.000 2.978 371 T HA 0.116 4.469 4.350 0.004 0.000 0.262 371 T C 0.396 175.171 174.700 0.125 0.000 1.063 371 T CA 0.538 62.567 62.100 -0.118 0.000 1.140 371 T CB -0.370 68.293 68.868 -0.341 0.000 0.886 371 T HN 0.714 nan 8.240 nan 0.000 0.470 372 H N 1.174 120.224 119.070 -0.033 0.000 2.731 372 H HA 0.610 5.168 4.556 0.004 0.000 0.368 372 H C -2.897 172.545 175.328 0.189 0.000 1.168 372 H CA -3.093 52.988 56.048 0.055 0.000 1.181 372 H CB 1.037 30.830 29.762 0.052 0.000 1.743 372 H HN 0.045 nan 8.280 nan 0.000 0.547 373 P HA 0.041 nan 4.420 nan 0.000 0.275 373 P C -0.196 177.239 177.300 0.225 0.000 1.228 373 P CA -0.484 62.730 63.100 0.191 0.000 0.786 373 P CB 0.578 32.333 31.700 0.091 0.000 0.927 374 V N -0.233 119.736 119.914 0.092 0.000 2.881 374 V HA 0.354 4.476 4.120 0.004 0.000 0.303 374 V C 0.364 176.424 176.094 -0.057 0.000 1.070 374 V CA -0.608 61.629 62.300 -0.106 0.000 1.074 374 V CB 0.656 32.390 31.823 -0.148 0.000 1.012 374 V HN 0.430 nan 8.190 nan 0.000 0.482 375 N N 4.690 123.325 118.700 -0.107 0.000 2.439 375 N HA 0.219 4.961 4.740 0.004 0.000 0.243 375 N C 0.716 176.198 175.510 -0.046 0.000 1.088 375 N CA -0.408 52.622 53.050 -0.034 0.000 0.940 375 N CB 1.022 39.505 38.487 -0.007 0.000 1.180 375 N HN 0.784 nan 8.380 nan 0.000 0.505 376 M N 2.365 121.963 119.600 -0.003 0.000 2.065 376 M HA -0.151 4.332 4.480 0.004 0.000 0.259 376 M C 1.828 178.131 176.300 0.006 0.000 1.069 376 M CA 1.522 56.828 55.300 0.010 0.000 1.110 376 M CB -1.525 31.112 32.600 0.062 0.000 1.328 376 M HN 0.668 nan 8.290 nan 0.000 0.405 377 A N -0.167 122.670 122.820 0.028 0.000 1.940 377 A HA -0.016 4.306 4.320 0.004 0.000 0.219 377 A C 2.382 179.983 177.584 0.029 0.000 1.176 377 A CA 2.236 54.300 52.037 0.045 0.000 0.631 377 A CB -0.827 18.198 19.000 0.042 0.000 0.814 377 A HN 0.521 nan 8.150 nan 0.000 0.446 378 A N -0.804 122.019 122.820 0.005 0.000 1.855 378 A HA 0.119 4.441 4.320 0.004 0.000 0.213 378 A C 2.072 179.522 177.584 -0.223 0.000 1.195 378 A CA 1.488 53.531 52.037 0.011 0.000 0.610 378 A CB -0.612 18.474 19.000 0.144 0.000 0.837 378 A HN 0.610 nan 8.150 nan 0.000 0.444 379 L N -0.502 120.504 121.223 -0.361 0.000 2.141 379 L HA -0.128 4.214 4.340 0.004 0.000 0.209 379 L C 2.376 178.888 176.870 -0.597 0.000 1.094 379 L CA 2.404 56.783 54.840 -0.769 0.000 0.763 379 L CB -0.693 40.982 42.059 -0.639 0.000 0.908 379 L HN 0.456 nan 8.230 nan 0.000 0.437 380 Q N 0.045 119.697 119.800 -0.247 0.000 2.079 380 Q HA -0.241 4.101 4.340 0.004 0.000 0.200 380 Q C 2.325 178.269 176.000 -0.094 0.000 0.974 380 Q CA 2.015 57.753 55.803 -0.110 0.000 0.840 380 Q CB -0.234 28.517 28.738 0.020 0.000 0.898 380 Q HN 0.547 nan 8.270 nan 0.000 0.430 381 K N -1.030 119.352 120.400 -0.030 0.000 2.057 381 K HA -0.162 4.161 4.320 0.004 0.000 0.207 381 K C 1.925 178.485 176.600 -0.067 0.000 1.049 381 K CA 1.288 57.597 56.287 0.037 0.000 0.931 381 K CB -0.385 32.176 32.500 0.101 0.000 0.714 381 K HN 0.284 nan 8.250 nan 0.000 0.440 382 F N 0.690 120.416 119.950 -0.373 0.000 2.134 382 F HA -0.160 4.370 4.527 0.004 0.000 0.299 382 F C 1.530 177.163 175.800 -0.278 0.000 1.097 382 F CA 1.271 59.006 58.000 -0.442 0.000 1.264 382 F CB -0.222 38.157 39.000 -1.036 0.000 1.001 382 F HN -0.037 nan 8.300 nan 0.000 0.479 383 F N 0.191 119.926 119.950 -0.358 0.000 2.113 383 F HA -0.133 4.396 4.527 0.003 0.000 0.297 383 F C 2.500 178.087 175.800 -0.355 0.000 1.103 383 F CA 1.256 59.019 58.000 -0.394 0.000 1.248 383 F CB -1.416 37.404 39.000 -0.300 0.000 0.999 383 F HN -0.196 nan 8.300 nan 0.000 0.475 384 V N -0.034 119.818 119.914 -0.104 0.000 2.332 384 V HA -0.294 3.829 4.120 0.004 0.000 0.248 384 V C 2.126 178.138 176.094 -0.136 0.000 1.055 384 V CA 2.045 64.259 62.300 -0.142 0.000 1.038 384 V CB -0.653 30.994 31.823 -0.294 0.000 0.651 384 V HN 0.309 nan 8.190 nan 0.000 0.450 385 E N -0.539 119.562 120.200 -0.166 0.000 2.268 385 E HA -0.192 4.161 4.350 0.004 0.000 0.195 385 E C 2.081 178.561 176.600 -0.200 0.000 0.995 385 E CA 0.685 56.995 56.400 -0.150 0.000 0.836 385 E CB -0.049 29.573 29.700 -0.129 0.000 0.763 385 E HN 0.536 nan 8.360 nan 0.000 0.491 386 Q N -0.740 118.878 119.800 -0.304 0.000 2.403 386 Q HA 0.062 4.404 4.340 0.004 0.000 0.203 386 Q C 1.022 176.940 176.000 -0.137 0.000 0.932 386 Q CA 0.737 56.387 55.803 -0.254 0.000 0.945 386 Q CB 1.004 29.532 28.738 -0.350 0.000 1.045 386 Q HN 0.384 nan 8.270 nan 0.000 0.511 387 G N 0.806 109.538 108.800 -0.113 0.000 2.160 387 G HA2 -0.238 3.724 3.960 0.004 0.000 0.244 387 G HA3 -0.238 3.724 3.960 0.004 0.000 0.244 387 G C 0.142 175.005 174.900 -0.061 0.000 1.022 387 G CA 0.410 45.467 45.100 -0.073 0.000 0.741 387 G HN 0.355 nan 8.290 nan 0.000 0.508 388 V N -4.032 115.840 119.914 -0.069 0.000 2.823 388 V HA 0.851 4.973 4.120 0.004 0.000 0.312 388 V C -0.008 176.066 176.094 -0.032 0.000 1.072 388 V CA -1.630 60.627 62.300 -0.072 0.000 0.937 388 V CB 2.171 33.905 31.823 -0.149 0.000 1.013 388 V HN 0.646 nan 8.190 nan 0.000 0.430 389 W N 5.705 126.863 121.300 -0.236 0.000 2.278 389 W HA 0.753 5.416 4.660 0.004 0.000 0.317 389 W C -1.877 174.448 176.519 -0.325 0.000 1.030 389 W CA -0.770 56.420 57.345 -0.258 0.000 1.334 389 W CB 1.278 30.600 29.460 -0.230 0.000 1.215 389 W HN 0.624 nan 8.180 nan 0.000 0.405 390 I N 6.358 126.351 120.570 -0.961 0.000 2.499 390 I HA 0.348 4.520 4.170 0.004 0.000 0.288 390 I C 0.021 175.531 176.117 -1.011 0.000 1.048 390 I CA -0.873 59.807 61.300 -1.034 0.000 1.062 390 I CB 2.441 39.596 38.000 -1.409 0.000 1.238 390 I HN 0.232 nan 8.210 nan 0.000 0.426 391 R N 7.857 127.856 120.500 -0.835 0.000 2.312 391 R HA 0.449 4.791 4.340 0.004 0.000 0.310 391 R C -2.670 173.503 176.300 -0.212 0.000 1.064 391 R CA -1.507 54.263 56.100 -0.549 0.000 0.983 391 R CB 1.301 31.323 30.300 -0.462 0.000 1.139 391 R HN 0.296 nan 8.270 nan 0.000 0.536 392 P HA 0.209 nan 4.420 nan 0.000 0.276 392 P C -1.095 176.407 177.300 0.336 0.000 1.261 392 P CA -0.298 62.890 63.100 0.147 0.000 0.800 392 P CB 0.656 32.455 31.700 0.165 0.000 1.066 393 F N -0.134 119.939 119.950 0.206 0.000 2.689 393 F HA 0.480 5.010 4.527 0.004 0.000 0.332 393 F C 0.493 176.369 175.800 0.127 0.000 1.209 393 F CA 0.574 58.678 58.000 0.175 0.000 1.028 393 F CB 1.030 40.178 39.000 0.248 0.000 1.291 393 F HN 0.747 nan 8.300 nan 0.000 0.500 394 G N 6.243 114.944 108.800 -0.165 0.000 2.620 394 G HA2 -0.369 3.593 3.960 0.004 0.000 0.315 394 G HA3 -0.369 3.593 3.960 0.004 0.000 0.315 394 G C 0.654 175.509 174.900 -0.075 0.000 1.179 394 G CA 0.655 45.608 45.100 -0.246 0.000 0.971 394 G HN 0.739 nan 8.290 nan 0.000 0.544 395 K N 0.351 120.692 120.400 -0.097 0.000 2.399 395 K HA 0.458 4.780 4.320 0.004 0.000 0.204 395 K C 0.132 176.769 176.600 0.061 0.000 1.023 395 K CA -0.160 56.147 56.287 0.033 0.000 1.127 395 K CB 0.444 32.954 32.500 0.018 0.000 0.856 395 K HN 0.322 nan 8.250 nan 0.000 0.514 396 L N 1.908 123.161 121.223 0.049 0.000 2.287 396 L HA 0.473 4.815 4.340 0.004 0.000 0.287 396 L C -0.377 176.660 176.870 0.279 0.000 1.022 396 L CA -0.652 54.276 54.840 0.146 0.000 0.814 396 L CB 1.370 43.497 42.059 0.113 0.000 1.217 396 L HN -0.031 nan 8.230 nan 0.000 0.420 397 I N 4.542 125.266 120.570 0.258 0.000 2.354 397 I HA 0.318 4.491 4.170 0.004 0.000 0.286 397 I C -0.761 175.496 176.117 0.233 0.000 1.007 397 I CA -0.612 60.826 61.300 0.230 0.000 1.167 397 I CB 0.784 38.923 38.000 0.232 0.000 1.320 397 I HN 0.488 nan 8.210 nan 0.000 0.458 398 Y N 5.752 126.073 120.300 0.034 0.000 2.605 398 Y HA 0.872 5.424 4.550 0.004 0.000 0.343 398 Y C -1.613 174.269 175.900 -0.029 0.000 1.036 398 Y CA -1.650 56.457 58.100 0.011 0.000 1.065 398 Y CB 1.238 39.713 38.460 0.025 0.000 1.288 398 Y HN 0.239 nan 8.280 nan 0.000 0.481 399 L N 3.352 124.616 121.223 0.069 0.000 2.386 399 L HA 0.631 4.973 4.340 0.004 0.000 0.271 399 L C -0.764 176.177 176.870 0.118 0.000 0.993 399 L CA -1.167 53.669 54.840 -0.007 0.000 0.819 399 L CB 2.228 44.278 42.059 -0.015 0.000 1.294 399 L HN 0.883 nan 8.230 nan 0.000 0.414 400 M N 1.798 121.462 119.600 0.108 0.000 2.769 400 M HA 0.360 4.842 4.480 0.004 0.000 0.309 400 M C -2.939 173.438 176.300 0.128 0.000 1.427 400 M CA -1.370 54.024 55.300 0.157 0.000 0.657 400 M CB 1.080 33.815 32.600 0.225 0.000 1.947 400 M HN 0.108 nan 8.290 nan 0.000 0.396 401 P HA 0.449 nan 4.420 nan 0.000 0.276 401 P C -2.718 174.651 177.300 0.114 0.000 1.252 401 P CA -1.102 62.057 63.100 0.098 0.000 0.802 401 P CB -0.097 31.654 31.700 0.086 0.000 1.035 402 P HA 0.002 nan 4.420 nan 0.000 0.267 402 P C 0.629 178.026 177.300 0.161 0.000 1.200 402 P CA 0.343 63.438 63.100 -0.008 0.000 0.772 402 P CB -0.116 31.570 31.700 -0.023 0.000 0.855 403 Y N 1.612 121.934 120.300 0.036 0.000 2.497 403 Y HA -0.049 4.504 4.550 0.004 0.000 0.292 403 Y C 1.799 177.755 175.900 0.094 0.000 1.137 403 Y CA 0.586 58.733 58.100 0.080 0.000 1.285 403 Y CB -1.329 37.200 38.460 0.115 0.000 0.991 403 Y HN 0.313 nan 8.280 nan 0.000 0.556 404 I N -2.404 118.304 120.570 0.231 0.000 3.812 404 I HA 0.174 4.346 4.170 0.004 0.000 0.320 404 I C 0.765 176.955 176.117 0.123 0.000 1.276 404 I CA -0.124 61.279 61.300 0.171 0.000 1.164 404 I CB -0.249 37.849 38.000 0.162 0.000 1.009 404 I HN -0.098 nan 8.210 nan 0.000 0.431 405 I N 2.462 123.104 120.570 0.120 0.000 2.752 405 I HA 0.038 4.210 4.170 0.004 0.000 0.287 405 I C 0.006 176.166 176.117 0.072 0.000 1.188 405 I CA 0.036 61.390 61.300 0.089 0.000 1.427 405 I CB 0.603 38.654 38.000 0.085 0.000 1.365 405 I HN 0.184 nan 8.210 nan 0.000 0.585 406 L N 8.785 130.041 121.223 0.055 0.000 2.395 406 L HA 0.253 4.596 4.340 0.004 0.000 0.269 406 L C -1.555 175.337 176.870 0.036 0.000 1.133 406 L CA -1.439 53.426 54.840 0.042 0.000 0.812 406 L CB 0.291 42.370 42.059 0.032 0.000 1.125 406 L HN 0.501 nan 8.230 nan 0.000 0.452 407 P HA -0.240 nan 4.420 nan 0.000 0.217 407 P C 1.256 178.569 177.300 0.022 0.000 1.151 407 P CA 1.009 64.124 63.100 0.026 0.000 0.849 407 P CB 0.124 31.836 31.700 0.021 0.000 0.787 408 Q N -0.083 119.728 119.800 0.019 0.000 2.079 408 Q HA -0.217 4.125 4.340 0.004 0.000 0.200 408 Q C 2.131 178.139 176.000 0.014 0.000 0.974 408 Q CA 1.757 57.569 55.803 0.015 0.000 0.840 408 Q CB -0.410 28.335 28.738 0.013 0.000 0.898 408 Q HN 0.377 nan 8.270 nan 0.000 0.430 409 Q N -0.037 119.773 119.800 0.017 0.000 2.084 409 Q HA -0.165 4.178 4.340 0.004 0.000 0.202 409 Q C 2.158 178.165 176.000 0.012 0.000 0.978 409 Q CA 1.237 57.049 55.803 0.015 0.000 0.844 409 Q CB -0.126 28.627 28.738 0.025 0.000 0.898 409 Q HN 0.226 nan 8.270 nan 0.000 0.426 410 L N 1.042 122.277 121.223 0.020 0.000 2.046 410 L HA -0.223 4.119 4.340 0.004 0.000 0.208 410 L C 2.290 179.168 176.870 0.012 0.000 1.077 410 L CA 1.890 56.741 54.840 0.018 0.000 0.747 410 L CB -0.651 41.426 42.059 0.029 0.000 0.896 410 L HN 0.217 nan 8.230 nan 0.000 0.432 411 Q N -0.899 118.910 119.800 0.015 0.000 2.124 411 Q HA -0.222 4.120 4.340 0.004 0.000 0.202 411 Q C 2.342 178.351 176.000 0.015 0.000 0.977 411 Q CA 1.593 57.406 55.803 0.017 0.000 0.850 411 Q CB -0.024 28.725 28.738 0.018 0.000 0.901 411 Q HN 0.467 nan 8.270 nan 0.000 0.429 412 R N -0.238 120.266 120.500 0.006 0.000 2.096 412 R HA -0.126 4.216 4.340 0.004 0.000 0.235 412 R C 2.327 178.621 176.300 -0.010 0.000 1.127 412 R CA 1.242 57.341 56.100 -0.001 0.000 0.968 412 R CB -0.226 30.067 30.300 -0.012 0.000 0.861 412 R HN 0.310 nan 8.270 nan 0.000 0.440 413 L N -0.085 121.124 121.223 -0.023 0.000 1.988 413 L HA -0.175 4.167 4.340 0.004 0.000 0.207 413 L C 2.794 179.648 176.870 -0.026 0.000 1.071 413 L CA 1.895 56.701 54.840 -0.058 0.000 0.744 413 L CB -0.991 41.027 42.059 -0.068 0.000 0.893 413 L HN 0.362 nan 8.230 nan 0.000 0.433 414 T N -2.268 112.288 114.554 0.004 0.000 2.788 414 T HA -0.157 4.196 4.350 0.004 0.000 0.268 414 T C 1.890 176.628 174.700 0.064 0.000 1.044 414 T CA 1.018 63.137 62.100 0.032 0.000 1.139 414 T CB -0.433 68.455 68.868 0.032 0.000 0.867 414 T HN 0.318 nan 8.240 nan 0.000 0.454 415 A N 1.722 124.579 122.820 0.062 0.000 1.930 415 A HA 0.393 4.715 4.320 0.004 0.000 0.217 415 A C 2.797 180.465 177.584 0.141 0.000 1.175 415 A CA 1.692 53.780 52.037 0.086 0.000 0.627 415 A CB -1.282 17.756 19.000 0.064 0.000 0.815 415 A HN 0.760 nan 8.150 nan 0.000 0.443 416 A N -0.609 122.298 122.820 0.144 0.000 1.929 416 A HA 0.082 4.404 4.320 0.004 0.000 0.216 416 A C 2.207 180.055 177.584 0.439 0.000 1.176 416 A CA 1.558 53.758 52.037 0.272 0.000 0.628 416 A CB -0.792 18.317 19.000 0.181 0.000 0.816 416 A HN 0.326 nan 8.150 nan 0.000 0.444 417 V N 1.091 121.176 119.914 0.285 0.000 2.261 417 V HA -0.282 3.840 4.120 0.004 0.000 0.246 417 V C 2.343 178.588 176.094 0.252 0.000 1.047 417 V CA 2.128 64.604 62.300 0.293 0.000 1.015 417 V CB -0.941 30.968 31.823 0.143 0.000 0.642 417 V HN 0.571 nan 8.190 nan 0.000 0.446 418 N N -0.102 118.707 118.700 0.182 0.000 2.137 418 N HA -0.227 4.515 4.740 0.004 0.000 0.190 418 N C 2.059 177.663 175.510 0.156 0.000 1.017 418 N CA 1.743 54.879 53.050 0.143 0.000 0.859 418 N CB -0.285 38.266 38.487 0.107 0.000 1.002 418 N HN 0.437 nan 8.380 nan 0.000 0.428 419 R N 0.664 121.289 120.500 0.210 0.000 2.090 419 R HA 0.056 4.398 4.340 0.004 0.000 0.228 419 R C 2.139 178.524 176.300 0.142 0.000 1.110 419 R CA 1.008 57.237 56.100 0.214 0.000 0.973 419 R CB -0.088 30.424 30.300 0.354 0.000 0.869 419 R HN 0.129 nan 8.270 nan 0.000 0.440 420 A N 0.532 123.456 122.820 0.173 0.000 1.933 420 A HA -0.118 4.204 4.320 0.004 0.000 0.218 420 A C 1.948 179.650 177.584 0.196 0.000 1.175 420 A CA 1.653 53.691 52.037 0.001 0.000 0.628 420 A CB -0.432 18.570 19.000 0.004 0.000 0.814 420 A HN 0.322 nan 8.150 nan 0.000 0.444 421 V N -3.005 117.048 119.914 0.233 0.000 3.633 421 V HA 0.046 4.168 4.120 0.004 0.000 0.283 421 V C 1.509 177.663 176.094 0.099 0.000 1.305 421 V CA 0.950 63.408 62.300 0.263 0.000 1.153 421 V CB -0.596 31.342 31.823 0.191 0.000 0.950 421 V HN 0.542 nan 8.190 nan 0.000 0.432 422 Q N 1.884 121.727 119.800 0.072 0.000 2.224 422 Q HA 0.005 4.347 4.340 0.004 0.000 0.203 422 Q C 0.553 176.535 176.000 -0.031 0.000 0.970 422 Q CA 1.634 57.444 55.803 0.012 0.000 0.865 422 Q CB 0.184 28.931 28.738 0.015 0.000 0.922 422 Q HN 1.053 nan 8.270 nan 0.000 0.445 423 D N -2.821 117.562 120.400 -0.027 0.000 2.759 423 D HA 0.067 4.709 4.640 0.004 0.000 0.321 423 D C -0.255 176.047 176.300 0.004 0.000 1.267 423 D CA -0.631 53.329 54.000 -0.068 0.000 0.933 423 D CB 0.218 40.957 40.800 -0.102 0.000 1.431 423 D HN -0.248 nan 8.370 nan 0.000 0.504 424 E N -0.854 119.332 120.200 -0.022 0.000 2.489 424 E HA 0.022 4.375 4.350 0.004 0.000 0.193 424 E C 0.881 177.529 176.600 0.080 0.000 1.057 424 E CA 0.262 56.731 56.400 0.115 0.000 0.866 424 E CB -0.050 29.664 29.700 0.022 0.000 0.916 424 E HN 0.489 nan 8.360 nan 0.000 0.500 425 T N 0.919 115.356 114.554 -0.194 0.000 2.620 425 T HA -0.204 4.148 4.350 0.004 0.000 0.267 425 T C 0.964 175.400 174.700 -0.439 0.000 1.044 425 T CA 1.370 63.177 62.100 -0.490 0.000 1.161 425 T CB -0.242 67.970 68.868 -1.095 0.000 0.862 425 T HN 0.158 nan 8.240 nan 0.000 0.438 426 F N 0.327 120.192 119.950 -0.141 0.000 2.730 426 F HA 0.479 5.008 4.527 0.003 0.000 0.295 426 F C -0.205 175.224 175.800 -0.619 0.000 1.143 426 F CA -1.644 56.119 58.000 -0.396 0.000 1.367 426 F CB -0.633 38.005 39.000 -0.604 0.000 0.970 426 F HN 0.020 nan 8.300 nan 0.000 0.514 427 F N -1.546 118.437 119.950 0.054 0.000 2.546 427 F HA 0.619 5.148 4.527 0.004 0.000 0.320 427 F C 0.567 176.402 175.800 0.059 0.000 1.076 427 F CA -1.114 56.928 58.000 0.071 0.000 0.928 427 F CB 1.324 40.372 39.000 0.081 0.000 1.189 427 F HN -0.061 nan 8.300 nan 0.000 0.465 428 C N 0.000 119.440 119.300 0.233 0.000 2.653 428 C HA 0.000 4.462 4.460 0.004 0.000 0.325 428 C CA 0.000 59.084 59.018 0.109 0.000 1.963 428 C CB 0.000 27.785 27.740 0.075 0.000 2.134 428 C HN 0.000 nan 8.230 nan 0.000 0.568