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 1n50_1_B DATA FIRST_RESID 5 DATA SEQUENCE KAAEQYQGAA SAVDPAHVVR TNGAPDMSES EFNEAKQIYF QRCAGCHGVL DATA SEQUENCE RKGATGKPLT PDITQQRGQQ YLEALITYGT PLGMPNWGSS GELSKEQITL DATA SEQUENCE MAKYIQHTPP QPPEWGMPEM RESWKVLVKP EDRPKKQLND LDLPNLFSVT DATA SEQUENCE LRDAGQIALV DGDSKKIVKV IDTGYAVHIS RMSASGRYLL VIGRDARIDM DATA SEQUENCE IDLWAKEPTK VAEIKIGIEA RSVESSKFKG YEDRYTIAGA YWPPQFAIMD DATA SEQUENCE GETLEPKQIV STRGMTVDTQ TYHPEPRVAA IIASHEHPEF IVNVKETGKV DATA SEQUENCE LLVNYKDIDN LTVTSIGAAP FLHDGGWDSS HRYFMTAANN SNKVAVIDSK DATA SEQUENCE DRRLSALVDV GKTPHPGRGA NFVHPKYGPV WSTSHLGDGS ISLIGTDPKN DATA SEQUENCE HPQYAWKKVA ELQGQGGGSL FIKTHPKSSH LYVDTTFNPD ARISQSVAVF DATA SEQUENCE DLKNLDAKYQ VLPIAEWADL GEGAKRVVQP EYNKRGDEVW FSVWNGKNDS DATA SEQUENCE SALVVVDDKT LKLKAVVKDP RLITPTGKFN VYNTQHDVY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.616 176.600 0.027 0.000 0.988 5 K CA 0.000 56.298 56.287 0.018 0.000 0.838 5 K CB 0.000 32.507 32.500 0.012 0.000 1.064 6 A N 1.615 124.449 122.820 0.023 0.000 1.873 6 A HA 0.034 4.353 4.320 -0.000 0.000 0.215 6 A C 2.248 179.871 177.584 0.065 0.000 1.186 6 A CA 2.032 54.086 52.037 0.028 0.000 0.616 6 A CB -0.529 18.471 19.000 -0.001 0.000 0.823 6 A HN 0.293 nan 8.150 nan 0.000 0.442 7 A N -0.201 122.657 122.820 0.063 0.000 2.067 7 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 7 A C 1.831 179.504 177.584 0.147 0.000 1.158 7 A CA 1.420 53.535 52.037 0.130 0.000 0.661 7 A CB -0.443 18.608 19.000 0.086 0.000 0.801 7 A HN 0.661 nan 8.150 nan 0.000 0.452 8 E N -0.533 119.717 120.200 0.082 0.000 2.152 8 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 8 E C 1.808 178.439 176.600 0.051 0.000 0.983 8 E CA 0.901 57.333 56.400 0.053 0.000 0.818 8 E CB -0.073 29.646 29.700 0.032 0.000 0.758 8 E HN 0.548 nan 8.360 nan 0.000 0.467 9 Q N -0.366 119.476 119.800 0.071 0.000 2.302 9 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 9 Q C 1.795 177.851 176.000 0.092 0.000 0.936 9 Q CA 0.627 56.467 55.803 0.061 0.000 0.886 9 Q CB -0.253 28.518 28.738 0.055 0.000 0.986 9 Q HN 0.377 nan 8.270 nan 0.000 0.487 10 Y N 2.175 122.471 120.300 -0.006 0.000 2.145 10 Y HA -0.158 4.392 4.550 0.000 0.000 0.286 10 Y C 1.080 176.976 175.900 -0.007 0.000 1.145 10 Y CA 1.661 59.757 58.100 -0.007 0.000 1.148 10 Y CB 0.097 38.553 38.460 -0.007 0.000 0.981 10 Y HN 0.085 nan 8.280 nan 0.000 0.507 11 Q N -0.565 119.137 119.800 -0.164 0.000 2.211 11 Q HA 0.229 4.569 4.340 -0.000 0.000 0.231 11 Q C 1.539 177.470 176.000 -0.115 0.000 0.865 11 Q CA 0.279 55.939 55.803 -0.238 0.000 0.997 11 Q CB 0.354 29.002 28.738 -0.150 0.000 1.101 11 Q HN 0.544 nan 8.270 nan 0.000 0.468 12 G N 0.024 108.779 108.800 -0.075 0.000 2.838 12 G HA2 0.252 4.211 3.960 -0.000 0.000 0.210 12 G HA3 0.252 4.211 3.960 -0.000 0.000 0.210 12 G C 0.623 175.496 174.900 -0.045 0.000 1.153 12 G CA 0.267 45.342 45.100 -0.042 0.000 0.778 12 G HN 0.411 nan 8.290 nan 0.000 0.539 13 A N 0.337 123.119 122.820 -0.064 0.000 2.346 13 A HA 0.700 5.020 4.320 -0.000 0.000 0.255 13 A C 0.885 178.440 177.584 -0.048 0.000 1.113 13 A CA 0.343 52.350 52.037 -0.051 0.000 0.798 13 A CB 0.067 19.032 19.000 -0.059 0.000 1.073 13 A HN 0.922 nan 8.150 nan 0.000 0.502 14 A N 0.186 122.984 122.820 -0.037 0.000 2.351 14 A HA 0.525 4.845 4.320 -0.000 0.000 0.257 14 A C 0.768 178.330 177.584 -0.036 0.000 1.087 14 A CA 0.375 52.393 52.037 -0.031 0.000 0.798 14 A CB -0.001 18.986 19.000 -0.021 0.000 1.033 14 A HN 1.264 nan 8.150 nan 0.000 0.488 15 S N 0.269 115.950 115.700 -0.032 0.000 2.576 15 S HA 0.369 4.839 4.470 -0.000 0.000 0.276 15 S C 1.299 175.883 174.600 -0.026 0.000 1.339 15 S CA -0.003 58.178 58.200 -0.033 0.000 1.039 15 S CB 0.753 63.937 63.200 -0.028 0.000 0.902 15 S HN 1.394 nan 8.310 nan 0.000 0.516 16 A N 4.165 126.967 122.820 -0.030 0.000 2.168 16 A HA 0.210 4.530 4.320 -0.000 0.000 0.215 16 A C 0.684 178.256 177.584 -0.020 0.000 1.152 16 A CA 0.192 52.213 52.037 -0.026 0.000 0.716 16 A CB -0.342 18.640 19.000 -0.031 0.000 0.794 16 A HN 0.643 nan 8.150 nan 0.000 0.465 17 V N 1.746 121.649 119.914 -0.017 0.000 2.572 17 V HA 0.067 4.186 4.120 -0.000 0.000 0.291 17 V C 0.015 176.118 176.094 0.016 0.000 1.039 17 V CA -0.340 61.956 62.300 -0.007 0.000 1.055 17 V CB 1.032 32.849 31.823 -0.009 0.000 0.969 17 V HN 0.411 nan 8.190 nan 0.000 0.482 18 D N 6.528 126.957 120.400 0.049 0.000 2.316 18 D HA 0.258 4.898 4.640 -0.000 0.000 0.245 18 D C -1.469 174.887 176.300 0.092 0.000 1.171 18 D CA -2.107 51.951 54.000 0.097 0.000 0.856 18 D CB 1.901 42.832 40.800 0.219 0.000 1.090 18 D HN 0.208 nan 8.370 nan 0.000 0.476 19 P HA -0.187 nan 4.420 nan 0.000 0.216 19 P C 0.933 178.231 177.300 -0.004 0.000 1.154 19 P CA 1.655 64.764 63.100 0.014 0.000 0.865 19 P CB 0.177 31.877 31.700 -0.001 0.000 0.789 20 A N -1.410 121.391 122.820 -0.031 0.000 2.131 20 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 20 A C 1.439 178.863 177.584 -0.266 0.000 1.158 20 A CA 1.596 53.543 52.037 -0.150 0.000 0.665 20 A CB -1.491 17.386 19.000 -0.204 0.000 0.795 20 A HN 0.339 nan 8.150 nan 0.000 0.460 21 H N -1.966 117.095 119.070 -0.014 0.000 2.586 21 H HA 0.321 4.877 4.556 -0.000 0.000 0.273 21 H C -0.473 174.846 175.328 -0.015 0.000 0.997 21 H CA 0.050 56.090 56.048 -0.014 0.000 1.177 21 H CB 0.559 30.313 29.762 -0.014 0.000 1.471 21 H HN 0.196 nan 8.280 nan 0.000 0.538 22 V N 2.885 122.834 119.914 0.058 0.000 2.333 22 V HA 0.167 4.287 4.120 -0.000 0.000 0.274 22 V C 0.092 176.188 176.094 0.003 0.000 1.028 22 V CA -0.922 61.395 62.300 0.029 0.000 0.851 22 V CB 1.004 32.837 31.823 0.018 0.000 1.000 22 V HN 0.127 nan 8.190 nan 0.000 0.456 23 V N 3.006 122.921 119.914 0.003 0.000 2.481 23 V HA 0.620 4.740 4.120 -0.000 0.000 0.286 23 V C 0.138 176.224 176.094 -0.012 0.000 1.042 23 V CA -0.953 61.340 62.300 -0.011 0.000 0.928 23 V CB 1.370 33.187 31.823 -0.010 0.000 0.986 23 V HN 0.877 nan 8.190 nan 0.000 0.462 24 R N 2.872 123.360 120.500 -0.019 0.000 2.340 24 R HA 0.432 4.771 4.340 -0.000 0.000 0.300 24 R C -0.311 175.975 176.300 -0.024 0.000 1.069 24 R CA -0.172 55.916 56.100 -0.020 0.000 0.984 24 R CB 0.852 31.138 30.300 -0.022 0.000 1.003 24 R HN 0.947 nan 8.270 nan 0.000 0.459 25 T N 4.311 118.851 114.554 -0.023 0.000 2.799 25 T HA 0.379 4.729 4.350 -0.000 0.000 0.286 25 T C -0.373 174.302 174.700 -0.042 0.000 0.973 25 T CA -0.499 61.582 62.100 -0.032 0.000 1.035 25 T CB 0.859 69.712 68.868 -0.026 0.000 0.932 25 T HN 0.656 nan 8.240 nan 0.000 0.469 26 N N 0.116 118.780 118.700 -0.061 0.000 3.386 26 N HA 0.324 5.064 4.740 -0.000 0.000 0.292 26 N C 0.210 175.663 175.510 -0.095 0.000 1.315 26 N CA 0.555 53.554 53.050 -0.085 0.000 0.787 26 N CB 0.212 38.662 38.487 -0.061 0.000 1.682 26 N HN 0.888 nan 8.380 nan 0.000 0.371 27 G N -0.717 108.022 108.800 -0.102 0.000 2.134 27 G HA2 0.197 4.156 3.960 -0.000 0.000 0.209 27 G HA3 0.197 4.156 3.960 -0.000 0.000 0.209 27 G C -0.016 174.809 174.900 -0.124 0.000 0.993 27 G CA 0.797 45.844 45.100 -0.088 0.000 0.669 27 G HN 0.958 nan 8.290 nan 0.000 0.519 28 A N 0.525 123.216 122.820 -0.214 0.000 2.279 28 A HA 0.870 5.190 4.320 -0.000 0.000 0.303 28 A C -1.516 175.941 177.584 -0.211 0.000 1.108 28 A CA -1.187 50.655 52.037 -0.326 0.000 0.830 28 A CB 0.723 19.248 19.000 -0.791 0.000 1.106 28 A HN 0.271 nan 8.150 nan 0.000 0.493 29 P HA 0.119 nan 4.420 nan 0.000 0.271 29 P C -0.956 176.440 177.300 0.160 0.000 1.220 29 P CA -0.137 62.984 63.100 0.035 0.000 0.768 29 P CB 0.480 32.215 31.700 0.060 0.000 0.848 30 D N 3.645 124.119 120.400 0.124 0.000 2.443 30 D HA 0.199 4.839 4.640 -0.000 0.000 0.239 30 D C 0.607 177.006 176.300 0.164 0.000 1.136 30 D CA 0.856 54.948 54.000 0.154 0.000 0.879 30 D CB 0.230 41.081 40.800 0.084 0.000 1.195 30 D HN 0.383 nan 8.370 nan 0.000 0.443 31 M N -0.850 118.848 119.600 0.162 0.000 2.322 31 M HA 0.332 4.811 4.480 -0.000 0.000 0.285 31 M C -0.203 176.151 176.300 0.091 0.000 1.119 31 M CA -0.961 54.415 55.300 0.126 0.000 0.953 31 M CB 1.882 34.576 32.600 0.156 0.000 1.701 31 M HN 0.217 nan 8.290 nan 0.000 0.479 32 S N 1.008 116.751 115.700 0.072 0.000 2.641 32 S HA 0.111 4.581 4.470 -0.000 0.000 0.251 32 S C 0.748 175.392 174.600 0.073 0.000 1.332 32 S CA 0.547 58.778 58.200 0.051 0.000 0.968 32 S CB 0.828 64.052 63.200 0.040 0.000 0.987 32 S HN 0.952 nan 8.310 nan 0.000 0.587 33 E N 0.039 120.266 120.200 0.046 0.000 2.072 33 E HA -0.124 4.225 4.350 -0.000 0.000 0.191 33 E C 2.251 178.913 176.600 0.104 0.000 0.985 33 E CA 1.067 57.506 56.400 0.064 0.000 0.801 33 E CB -0.349 29.364 29.700 0.022 0.000 0.750 33 E HN 0.700 nan 8.360 nan 0.000 0.452 34 S N 0.342 116.081 115.700 0.064 0.000 2.359 34 S HA -0.236 4.234 4.470 -0.000 0.000 0.224 34 S C 1.725 176.355 174.600 0.051 0.000 1.035 34 S CA 1.779 60.008 58.200 0.048 0.000 1.018 34 S CB -0.230 62.988 63.200 0.030 0.000 0.876 34 S HN 0.312 nan 8.310 nan 0.000 0.448 35 E N -0.248 119.990 120.200 0.063 0.000 2.015 35 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 35 E C 1.865 178.496 176.600 0.051 0.000 0.991 35 E CA 1.321 57.749 56.400 0.048 0.000 0.802 35 E CB -0.449 29.288 29.700 0.061 0.000 0.759 35 E HN 0.633 nan 8.360 nan 0.000 0.447 36 F N 2.795 122.733 119.950 -0.020 0.000 2.087 36 F HA -0.277 4.250 4.527 -0.000 0.000 0.299 36 F C 1.914 177.715 175.800 0.000 0.000 1.100 36 F CA 1.663 59.662 58.000 -0.002 0.000 1.226 36 F CB -0.120 38.854 39.000 -0.043 0.000 0.983 36 F HN -0.055 nan 8.300 nan 0.000 0.479 37 N N 0.296 119.093 118.700 0.162 0.000 2.244 37 N HA -0.185 4.554 4.740 -0.000 0.000 0.183 37 N C 1.893 177.352 175.510 -0.085 0.000 1.016 37 N CA 1.300 54.387 53.050 0.061 0.000 0.866 37 N CB -0.532 38.018 38.487 0.105 0.000 0.980 37 N HN 0.557 nan 8.380 nan 0.000 0.430 38 E N 0.724 120.868 120.200 -0.092 0.000 2.072 38 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 38 E C 1.759 178.223 176.600 -0.226 0.000 0.985 38 E CA 0.920 57.249 56.400 -0.119 0.000 0.801 38 E CB 0.050 29.702 29.700 -0.080 0.000 0.750 38 E HN 0.298 nan 8.360 nan 0.000 0.452 39 A N 1.476 124.087 122.820 -0.348 0.000 1.898 39 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 39 A C 2.101 179.157 177.584 -0.880 0.000 1.181 39 A CA 1.603 53.294 52.037 -0.577 0.000 0.620 39 A CB -0.426 18.195 19.000 -0.631 0.000 0.819 39 A HN 0.155 nan 8.150 nan 0.000 0.442 40 K N -0.538 119.315 120.400 -0.912 0.000 2.057 40 K HA -0.229 4.091 4.320 -0.000 0.000 0.207 40 K C 2.307 178.844 176.600 -0.106 0.000 1.049 40 K CA 1.733 57.660 56.287 -0.601 0.000 0.931 40 K CB -0.172 32.184 32.500 -0.240 0.000 0.714 40 K HN 0.651 nan 8.250 nan 0.000 0.440 41 Q N 0.586 120.314 119.800 -0.119 0.000 2.079 41 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 41 Q C 2.013 177.984 176.000 -0.049 0.000 0.974 41 Q CA 1.521 57.308 55.803 -0.027 0.000 0.840 41 Q CB -0.025 28.682 28.738 -0.051 0.000 0.898 41 Q HN 0.384 nan 8.270 nan 0.000 0.430 42 I N -0.101 120.373 120.570 -0.159 0.000 2.315 42 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 42 I C 2.126 178.093 176.117 -0.250 0.000 1.117 42 I CA 1.069 62.244 61.300 -0.208 0.000 1.404 42 I CB -0.400 37.438 38.000 -0.269 0.000 1.071 42 I HN 0.322 nan 8.210 nan 0.000 0.419 43 Y N 1.293 121.359 120.300 -0.389 0.000 2.097 43 Y HA -0.309 4.240 4.550 -0.000 0.000 0.282 43 Y C 2.207 177.882 175.900 -0.376 0.000 1.152 43 Y CA 1.913 59.755 58.100 -0.430 0.000 1.136 43 Y CB -0.402 37.740 38.460 -0.530 0.000 0.975 43 Y HN -0.025 nan 8.280 nan 0.000 0.498 44 F N -0.010 119.917 119.950 -0.038 0.000 2.367 44 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 44 F C 2.382 178.124 175.800 -0.097 0.000 1.094 44 F CA 1.294 59.270 58.000 -0.040 0.000 1.409 44 F CB -0.370 38.655 39.000 0.041 0.000 1.064 44 F HN 0.098 nan 8.300 nan 0.000 0.528 45 Q N -0.484 119.335 119.800 0.030 0.000 2.123 45 Q HA -0.074 4.266 4.340 -0.000 0.000 0.199 45 Q C 1.986 177.951 176.000 -0.058 0.000 0.966 45 Q CA 0.948 56.754 55.803 0.004 0.000 0.845 45 Q CB 0.110 28.842 28.738 -0.010 0.000 0.907 45 Q HN 0.199 nan 8.270 nan 0.000 0.439 46 R N -1.220 119.158 120.500 -0.204 0.000 2.191 46 R HA 0.158 4.497 4.340 -0.000 0.000 0.196 46 R C 1.896 178.019 176.300 -0.294 0.000 0.991 46 R CA 0.650 56.603 56.100 -0.245 0.000 1.075 46 R CB -0.168 29.795 30.300 -0.561 0.000 1.040 46 R HN 0.266 nan 8.270 nan 0.000 0.526 47 C N 0.141 119.111 119.300 -0.551 0.000 2.535 47 C HA 0.396 4.856 4.460 -0.000 0.000 0.310 47 C C 2.701 177.356 174.990 -0.558 0.000 1.344 47 C CA 0.136 58.802 59.018 -0.587 0.000 1.831 47 C CB -0.458 26.705 27.740 -0.963 0.000 2.284 47 C HN 0.432 nan 8.230 nan 0.000 0.523 48 A N 2.014 124.333 122.820 -0.834 0.000 1.903 48 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 48 A C 2.383 179.923 177.584 -0.073 0.000 1.191 48 A CA 2.471 54.251 52.037 -0.429 0.000 0.638 48 A CB -1.508 17.290 19.000 -0.337 0.000 0.823 48 A HN 0.576 nan 8.150 nan 0.000 0.451 49 G N -1.366 107.424 108.800 -0.016 0.000 2.505 49 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.220 49 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.220 49 G C 1.583 176.520 174.900 0.061 0.000 1.145 49 G CA 1.477 46.627 45.100 0.082 0.000 0.761 49 G HN 0.557 nan 8.290 nan 0.000 0.571 50 C N -1.184 118.125 119.300 0.014 0.000 2.564 50 C HA 0.212 4.672 4.460 -0.000 0.000 0.281 50 C C 2.362 177.312 174.990 -0.067 0.000 1.314 50 C CA 0.388 59.376 59.018 -0.051 0.000 1.706 50 C CB -0.766 26.906 27.740 -0.113 0.000 2.109 50 C HN 0.527 nan 8.230 nan 0.000 0.502 51 H N 0.483 119.553 119.070 0.000 0.000 2.547 51 H HA 0.219 4.775 4.556 -0.000 0.000 0.272 51 H C 1.463 176.855 175.328 0.106 0.000 0.989 51 H CA 1.180 57.265 56.048 0.062 0.000 1.214 51 H CB -0.248 29.562 29.762 0.080 0.000 1.389 51 H HN 0.615 nan 8.280 nan 0.000 0.577 52 G N 0.012 108.920 108.800 0.179 0.000 2.829 52 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.628 52 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.628 52 G C 0.886 175.887 174.900 0.170 0.000 1.412 52 G CA -0.136 45.062 45.100 0.163 0.000 0.864 52 G HN 0.129 nan 8.290 nan 0.000 0.544 53 V N 0.333 120.310 119.914 0.105 0.000 2.453 53 V HA 0.001 4.121 4.120 -0.000 0.000 0.247 53 V C 2.424 178.483 176.094 -0.058 0.000 1.048 53 V CA 2.349 64.655 62.300 0.010 0.000 1.049 53 V CB -0.424 31.236 31.823 -0.272 0.000 0.672 53 V HN 0.493 nan 8.190 nan 0.000 0.457 54 L N -0.547 120.670 121.223 -0.010 0.000 2.700 54 L HA 0.340 4.679 4.340 -0.000 0.000 0.234 54 L C 0.875 177.751 176.870 0.009 0.000 1.156 54 L CA -0.058 54.775 54.840 -0.010 0.000 0.946 54 L CB -0.107 41.984 42.059 0.053 0.000 1.216 54 L HN 0.266 nan 8.230 nan 0.000 0.493 55 R N -0.094 120.447 120.500 0.068 0.000 3.770 55 R HA -0.190 4.150 4.340 -0.000 0.000 0.305 55 R C 0.153 176.540 176.300 0.144 0.000 1.184 55 R CA 0.748 56.925 56.100 0.129 0.000 0.823 55 R CB -2.011 28.302 30.300 0.022 0.000 1.285 55 R HN 0.395 nan 8.270 nan 0.000 0.499 56 K N -0.743 119.740 120.400 0.139 0.000 2.592 56 K HA 0.167 4.487 4.320 -0.000 0.000 0.203 56 K C 1.409 178.162 176.600 0.255 0.000 1.070 56 K CA 0.407 56.767 56.287 0.123 0.000 1.062 56 K CB 1.382 33.831 32.500 -0.085 0.000 0.814 56 K HN 0.298 nan 8.250 nan 0.000 0.502 57 G N 0.732 109.671 108.800 0.231 0.000 2.662 57 G HA2 0.118 4.078 3.960 -0.000 0.000 0.212 57 G HA3 0.118 4.078 3.960 -0.000 0.000 0.212 57 G C 0.595 175.614 174.900 0.198 0.000 1.141 57 G CA 0.135 45.361 45.100 0.210 0.000 0.797 57 G HN 0.309 nan 8.290 nan 0.000 0.531 58 A N 0.304 123.170 122.820 0.075 0.000 2.242 58 A HA 0.669 4.989 4.320 -0.000 0.000 0.304 58 A C 0.838 178.461 177.584 0.065 0.000 1.100 58 A CA 0.231 52.230 52.037 -0.064 0.000 0.860 58 A CB 0.159 18.903 19.000 -0.426 0.000 1.168 58 A HN 0.414 nan 8.150 nan 0.000 0.503 59 T N -1.571 112.953 114.554 -0.051 0.000 2.828 59 T HA 0.572 4.921 4.350 -0.000 0.000 0.290 59 T C 0.807 175.535 174.700 0.047 0.000 1.019 59 T CA 0.373 62.482 62.100 0.016 0.000 1.031 59 T CB 0.596 69.391 68.868 -0.122 0.000 1.001 59 T HN 2.598 nan 8.240 nan 0.000 0.531 60 G N 0.984 109.830 108.800 0.076 0.000 2.681 60 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.220 60 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.220 60 G C -0.725 174.232 174.900 0.095 0.000 1.353 60 G CA -0.542 44.605 45.100 0.078 0.000 0.872 60 G HN 0.960 nan 8.290 nan 0.000 0.557 61 K N 1.740 122.195 120.400 0.092 0.000 2.401 61 K HA 0.390 4.709 4.320 -0.000 0.000 0.278 61 K C -1.779 174.889 176.600 0.113 0.000 1.018 61 K CA -0.695 55.641 56.287 0.082 0.000 0.981 61 K CB 0.538 33.070 32.500 0.054 0.000 0.933 61 K HN 0.379 nan 8.250 nan 0.000 0.477 62 P HA 0.034 nan 4.420 nan 0.000 0.272 62 P C -0.202 177.148 177.300 0.083 0.000 1.240 62 P CA -0.137 63.026 63.100 0.106 0.000 0.791 62 P CB 0.506 32.237 31.700 0.051 0.000 0.978 63 L N 0.156 121.426 121.223 0.078 0.000 2.928 63 L HA 0.152 4.492 4.340 -0.000 0.000 0.236 63 L C 0.763 177.613 176.870 -0.033 0.000 1.290 63 L CA -0.193 54.653 54.840 0.011 0.000 1.099 63 L CB -1.045 40.992 42.059 -0.037 0.000 1.437 63 L HN 0.395 nan 8.230 nan 0.000 0.493 64 T N -3.475 111.065 114.554 -0.024 0.000 2.913 64 T HA 0.223 4.573 4.350 -0.000 0.000 0.287 64 T C -1.457 173.213 174.700 -0.050 0.000 1.008 64 T CA -1.793 60.280 62.100 -0.045 0.000 1.067 64 T CB 1.237 70.086 68.868 -0.031 0.000 0.996 64 T HN -0.055 nan 8.240 nan 0.000 0.513 65 P HA -0.185 nan 4.420 nan 0.000 0.219 65 P C 1.091 178.359 177.300 -0.054 0.000 1.144 65 P CA 1.264 64.325 63.100 -0.066 0.000 0.806 65 P CB 0.029 31.683 31.700 -0.076 0.000 0.771 66 D N -0.500 119.875 120.400 -0.042 0.000 2.178 66 D HA -0.126 4.513 4.640 -0.000 0.000 0.202 66 D C 1.829 178.105 176.300 -0.040 0.000 0.974 66 D CA 0.935 54.913 54.000 -0.036 0.000 0.841 66 D CB -0.694 40.091 40.800 -0.025 0.000 0.953 66 D HN 0.151 nan 8.370 nan 0.000 0.478 67 I N 1.473 122.019 120.570 -0.039 0.000 2.429 67 I HA -0.122 4.047 4.170 -0.000 0.000 0.247 67 I C 2.607 178.688 176.117 -0.061 0.000 1.099 67 I CA 1.411 62.683 61.300 -0.047 0.000 1.422 67 I CB -1.464 36.518 38.000 -0.030 0.000 1.112 67 I HN 0.163 nan 8.210 nan 0.000 0.430 68 T N -0.493 114.033 114.554 -0.046 0.000 2.720 68 T HA -0.234 4.116 4.350 -0.000 0.000 0.268 68 T C 1.778 176.452 174.700 -0.042 0.000 1.037 68 T CA 1.290 63.368 62.100 -0.037 0.000 1.144 68 T CB -0.549 68.302 68.868 -0.029 0.000 0.864 68 T HN 0.350 nan 8.240 nan 0.000 0.444 69 Q N 0.495 120.264 119.800 -0.051 0.000 2.230 69 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 69 Q C 2.560 178.530 176.000 -0.049 0.000 0.963 69 Q CA 1.074 56.847 55.803 -0.049 0.000 0.866 69 Q CB -0.172 28.531 28.738 -0.059 0.000 0.931 69 Q HN 0.714 nan 8.270 nan 0.000 0.452 70 Q N 0.456 120.218 119.800 -0.062 0.000 2.016 70 Q HA -0.167 4.172 4.340 -0.000 0.000 0.200 70 Q C 1.983 177.923 176.000 -0.100 0.000 0.978 70 Q CA 0.933 56.693 55.803 -0.073 0.000 0.833 70 Q CB 0.217 28.907 28.738 -0.079 0.000 0.895 70 Q HN 0.181 nan 8.270 nan 0.000 0.427 71 R N -0.034 120.375 120.500 -0.151 0.000 2.073 71 R HA 0.017 4.357 4.340 -0.000 0.000 0.234 71 R C 1.072 177.339 176.300 -0.054 0.000 1.134 71 R CA 1.178 57.131 56.100 -0.245 0.000 0.952 71 R CB -1.078 28.990 30.300 -0.386 0.000 0.850 71 R HN 0.462 nan 8.270 nan 0.000 0.433 72 G N -0.140 108.658 108.800 -0.004 0.000 2.707 72 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.686 72 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.686 72 G C 0.292 175.242 174.900 0.084 0.000 1.315 72 G CA -0.109 45.014 45.100 0.038 0.000 0.832 72 G HN 0.068 nan 8.290 nan 0.000 0.573 73 Q N -0.058 119.781 119.800 0.066 0.000 1.998 73 Q HA -0.212 4.127 4.340 -0.000 0.000 0.209 73 Q C 2.890 178.947 176.000 0.094 0.000 1.002 73 Q CA 2.843 58.689 55.803 0.071 0.000 0.858 73 Q CB -0.536 28.234 28.738 0.053 0.000 0.932 73 Q HN 0.808 nan 8.270 nan 0.000 0.416 74 Q N -0.774 119.082 119.800 0.093 0.000 2.029 74 Q HA -0.244 4.096 4.340 -0.000 0.000 0.209 74 Q C 1.992 178.067 176.000 0.125 0.000 0.999 74 Q CA 2.062 57.922 55.803 0.095 0.000 0.857 74 Q CB -0.564 28.225 28.738 0.086 0.000 0.926 74 Q HN 0.401 nan 8.270 nan 0.000 0.415 75 Y N 1.382 121.708 120.300 0.043 0.000 2.128 75 Y HA -0.256 4.294 4.550 -0.000 0.000 0.284 75 Y C 1.871 177.806 175.900 0.058 0.000 1.154 75 Y CA 1.598 59.728 58.100 0.051 0.000 1.149 75 Y CB -0.306 38.178 38.460 0.040 0.000 0.976 75 Y HN 0.022 nan 8.280 nan 0.000 0.505 76 L N -0.093 121.333 121.223 0.337 0.000 1.989 76 L HA -0.242 4.097 4.340 -0.000 0.000 0.211 76 L C 2.456 179.382 176.870 0.093 0.000 1.071 76 L CA 1.962 56.936 54.840 0.223 0.000 0.749 76 L CB -0.769 41.387 42.059 0.161 0.000 0.890 76 L HN 0.237 nan 8.230 nan 0.000 0.431 77 E N 0.186 120.426 120.200 0.068 0.000 2.097 77 E HA -0.265 4.085 4.350 -0.000 0.000 0.196 77 E C 2.269 178.871 176.600 0.002 0.000 1.000 77 E CA 1.287 57.704 56.400 0.028 0.000 0.804 77 E CB -0.184 29.533 29.700 0.029 0.000 0.740 77 E HN 0.532 nan 8.360 nan 0.000 0.454 78 A N 1.153 123.979 122.820 0.011 0.000 1.898 78 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 78 A C 2.168 179.775 177.584 0.038 0.000 1.181 78 A CA 0.905 52.969 52.037 0.046 0.000 0.620 78 A CB -0.566 18.439 19.000 0.007 0.000 0.819 78 A HN 0.238 nan 8.150 nan 0.000 0.442 79 L N -0.341 120.838 121.223 -0.073 0.000 2.027 79 L HA -0.109 4.231 4.340 -0.000 0.000 0.206 79 L C 2.330 179.242 176.870 0.070 0.000 1.074 79 L CA 1.471 56.297 54.840 -0.024 0.000 0.745 79 L CB -0.235 41.813 42.059 -0.018 0.000 0.898 79 L HN 0.428 nan 8.230 nan 0.000 0.433 80 I N -0.941 119.676 120.570 0.079 0.000 2.361 80 I HA -0.273 3.897 4.170 -0.000 0.000 0.251 80 I C 2.251 178.435 176.117 0.113 0.000 1.133 80 I CA 1.414 62.805 61.300 0.152 0.000 1.413 80 I CB -0.571 37.474 38.000 0.076 0.000 1.073 80 I HN 0.270 nan 8.210 nan 0.000 0.424 81 T N -0.261 114.242 114.554 -0.085 0.000 2.777 81 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 81 T C 1.450 175.838 174.700 -0.520 0.000 1.040 81 T CA 1.620 63.503 62.100 -0.362 0.000 1.141 81 T CB -0.190 68.279 68.868 -0.665 0.000 0.868 81 T HN 0.297 nan 8.240 nan 0.000 0.444 82 Y N 0.471 120.775 120.300 0.006 0.000 2.498 82 Y HA 0.443 4.992 4.550 -0.000 0.000 0.259 82 Y C 1.731 177.608 175.900 -0.038 0.000 1.086 82 Y CA -0.113 57.971 58.100 -0.026 0.000 1.287 82 Y CB -0.195 38.242 38.460 -0.039 0.000 1.146 82 Y HN 0.375 nan 8.280 nan 0.000 0.523 83 G N 0.710 109.566 108.800 0.094 0.000 2.693 83 G HA2 -0.059 3.900 3.960 -0.000 0.000 0.226 83 G HA3 -0.059 3.900 3.960 -0.000 0.000 0.226 83 G C -0.232 174.703 174.900 0.059 0.000 1.354 83 G CA -0.196 44.938 45.100 0.056 0.000 0.873 83 G HN 0.633 nan 8.290 nan 0.000 0.562 84 T N -2.587 111.988 114.554 0.034 0.000 2.900 84 T HA 0.759 5.108 4.350 -0.000 0.000 0.303 84 T C -1.909 172.792 174.700 0.002 0.000 1.142 84 T CA -0.272 61.844 62.100 0.027 0.000 1.007 84 T CB 2.825 71.720 68.868 0.045 0.000 1.156 84 T HN 0.755 nan 8.240 nan 0.000 0.490 85 P HA 0.203 nan 4.420 nan 0.000 0.252 85 P C 0.552 177.841 177.300 -0.019 0.000 1.265 85 P CA 0.121 63.212 63.100 -0.016 0.000 0.775 85 P CB -0.001 31.692 31.700 -0.013 0.000 1.128 86 L N -1.210 120.004 121.223 -0.014 0.000 2.965 86 L HA 0.404 4.744 4.340 -0.000 0.000 0.254 86 L C 1.302 178.147 176.870 -0.041 0.000 1.220 86 L CA 0.352 55.178 54.840 -0.023 0.000 1.023 86 L CB -0.121 41.933 42.059 -0.009 0.000 1.355 86 L HN 0.102 nan 8.230 nan 0.000 0.545 87 G N 0.393 109.166 108.800 -0.045 0.000 2.211 87 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.201 87 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.201 87 G C 0.003 174.878 174.900 -0.043 0.000 0.997 87 G CA -0.192 44.870 45.100 -0.063 0.000 0.652 87 G HN 0.168 nan 8.290 nan 0.000 0.500 88 M N 3.662 123.258 119.600 -0.005 0.000 2.111 88 M HA 0.524 5.004 4.480 -0.000 0.000 0.351 88 M C -2.016 174.275 176.300 -0.016 0.000 1.214 88 M CA -3.350 51.981 55.300 0.051 0.000 1.120 88 M CB 0.646 33.315 32.600 0.116 0.000 1.443 88 M HN 0.046 nan 8.290 nan 0.000 0.429 89 P HA 0.040 nan 4.420 nan 0.000 0.269 89 P C -1.112 175.914 177.300 -0.458 0.000 1.217 89 P CA 0.087 62.966 63.100 -0.367 0.000 0.783 89 P CB 0.163 31.470 31.700 -0.654 0.000 0.898 90 N N 0.897 119.322 118.700 -0.458 0.000 2.422 90 N HA 0.069 4.809 4.740 -0.000 0.000 0.266 90 N C -0.282 174.957 175.510 -0.452 0.000 1.007 90 N CA -0.515 52.352 53.050 -0.306 0.000 0.941 90 N CB 0.679 39.076 38.487 -0.151 0.000 1.115 90 N HN 0.478 nan 8.380 nan 0.000 0.492 91 W N 1.560 122.809 121.300 -0.085 0.000 2.872 91 W HA 0.332 4.992 4.660 -0.000 0.000 0.266 91 W C 1.936 178.390 176.519 -0.108 0.000 1.276 91 W CA 0.005 57.300 57.345 -0.085 0.000 1.471 91 W CB 0.361 29.775 29.460 -0.077 0.000 1.071 91 W HN 0.725 nan 8.180 nan 0.000 0.619 92 G N -0.456 108.345 108.800 0.000 0.000 2.497 92 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.210 92 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.210 92 G C 1.518 176.359 174.900 -0.099 0.000 1.177 92 G CA 0.822 45.870 45.100 -0.085 0.000 0.822 92 G HN 0.041 nan 8.290 nan 0.000 0.550 93 S N 1.320 116.934 115.700 -0.143 0.000 2.420 93 S HA -0.168 4.302 4.470 -0.000 0.000 0.237 93 S C 2.596 177.173 174.600 -0.038 0.000 1.023 93 S CA 1.751 59.919 58.200 -0.053 0.000 0.991 93 S CB -0.214 62.997 63.200 0.019 0.000 0.792 93 S HN 0.602 nan 8.310 nan 0.000 0.488 94 S N -0.005 115.657 115.700 -0.063 0.000 2.478 94 S HA 0.368 4.838 4.470 -0.000 0.000 0.222 94 S C 1.621 176.203 174.600 -0.031 0.000 1.008 94 S CA 0.681 58.843 58.200 -0.064 0.000 0.928 94 S CB -0.058 63.069 63.200 -0.123 0.000 0.781 94 S HN 0.772 nan 8.310 nan 0.000 0.518 95 G N 1.087 109.880 108.800 -0.012 0.000 2.175 95 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.244 95 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.244 95 G C 0.709 175.630 174.900 0.035 0.000 0.982 95 G CA 0.359 45.463 45.100 0.007 0.000 0.641 95 G HN 0.385 nan 8.290 nan 0.000 0.527 96 E N -0.326 119.915 120.200 0.068 0.000 2.051 96 E HA 0.031 4.381 4.350 -0.000 0.000 0.192 96 E C 1.428 178.113 176.600 0.141 0.000 0.991 96 E CA 0.984 57.470 56.400 0.144 0.000 0.799 96 E CB 0.021 29.901 29.700 0.300 0.000 0.748 96 E HN 0.644 nan 8.360 nan 0.000 0.449 97 L N 0.287 121.592 121.223 0.137 0.000 2.341 97 L HA 0.238 4.578 4.340 -0.000 0.000 0.267 97 L C 0.335 177.221 176.870 0.028 0.000 1.009 97 L CA -0.809 54.068 54.840 0.063 0.000 0.819 97 L CB 2.014 44.096 42.059 0.038 0.000 1.323 97 L HN -0.072 nan 8.230 nan 0.000 0.425 98 S N 0.050 115.751 115.700 0.001 0.000 2.632 98 S HA 0.172 4.642 4.470 -0.000 0.000 0.267 98 S C 0.708 175.299 174.600 -0.014 0.000 1.276 98 S CA -0.526 57.670 58.200 -0.006 0.000 0.998 98 S CB 1.668 64.863 63.200 -0.009 0.000 0.953 98 S HN 0.621 nan 8.310 nan 0.000 0.547 99 K N 0.887 121.278 120.400 -0.015 0.000 2.147 99 K HA -0.072 4.248 4.320 -0.000 0.000 0.205 99 K C 1.589 178.181 176.600 -0.014 0.000 1.049 99 K CA 1.669 57.945 56.287 -0.018 0.000 0.936 99 K CB -0.796 31.697 32.500 -0.012 0.000 0.722 99 K HN 0.734 nan 8.250 nan 0.000 0.446 100 E N 0.421 120.613 120.200 -0.012 0.000 2.072 100 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 100 E C 2.122 178.708 176.600 -0.022 0.000 0.985 100 E CA 1.381 57.774 56.400 -0.011 0.000 0.801 100 E CB -0.111 29.584 29.700 -0.009 0.000 0.750 100 E HN 0.431 nan 8.360 nan 0.000 0.452 101 Q N -0.136 119.644 119.800 -0.033 0.000 2.079 101 Q HA -0.046 4.294 4.340 -0.000 0.000 0.200 101 Q C 2.211 178.170 176.000 -0.068 0.000 0.974 101 Q CA 0.978 56.746 55.803 -0.058 0.000 0.840 101 Q CB -0.074 28.623 28.738 -0.069 0.000 0.898 101 Q HN 0.330 nan 8.270 nan 0.000 0.430 102 I N 0.207 120.746 120.570 -0.052 0.000 2.315 102 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 102 I C 2.037 178.139 176.117 -0.026 0.000 1.117 102 I CA 1.010 62.280 61.300 -0.049 0.000 1.404 102 I CB -0.294 37.686 38.000 -0.034 0.000 1.071 102 I HN 0.191 nan 8.210 nan 0.000 0.419 103 T N 1.335 115.881 114.554 -0.013 0.000 2.788 103 T HA -0.086 4.264 4.350 -0.000 0.000 0.268 103 T C 1.961 176.670 174.700 0.015 0.000 1.044 103 T CA 1.124 63.228 62.100 0.008 0.000 1.139 103 T CB -0.180 68.695 68.868 0.011 0.000 0.867 103 T HN 0.249 nan 8.240 nan 0.000 0.454 104 L N 0.210 121.429 121.223 -0.006 0.000 2.056 104 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 104 L C 2.700 179.570 176.870 0.001 0.000 1.078 104 L CA 0.871 55.706 54.840 -0.008 0.000 0.749 104 L CB -0.469 41.560 42.059 -0.051 0.000 0.901 104 L HN 0.257 nan 8.230 nan 0.000 0.433 105 M N -0.429 119.148 119.600 -0.038 0.000 2.117 105 M HA -0.139 4.341 4.480 -0.000 0.000 0.262 105 M C 2.582 178.919 176.300 0.062 0.000 1.065 105 M CA 1.883 57.171 55.300 -0.020 0.000 1.114 105 M CB -1.390 31.148 32.600 -0.104 0.000 1.361 105 M HN 0.267 nan 8.290 nan 0.000 0.408 106 A N 0.328 123.173 122.820 0.041 0.000 1.972 106 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 106 A C 2.288 179.921 177.584 0.082 0.000 1.169 106 A CA 1.587 53.659 52.037 0.059 0.000 0.635 106 A CB -0.492 18.540 19.000 0.053 0.000 0.810 106 A HN 0.506 nan 8.150 nan 0.000 0.446 107 K N -1.966 118.497 120.400 0.105 0.000 2.076 107 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 107 K C 1.981 178.729 176.600 0.246 0.000 1.051 107 K CA 1.348 57.728 56.287 0.155 0.000 0.949 107 K CB -0.350 32.246 32.500 0.159 0.000 0.726 107 K HN 0.580 nan 8.250 nan 0.000 0.443 108 Y N 2.774 123.096 120.300 0.037 0.000 2.097 108 Y HA -0.186 4.364 4.550 -0.000 0.000 0.282 108 Y C 1.897 177.792 175.900 -0.008 0.000 1.152 108 Y CA 1.587 59.657 58.100 -0.050 0.000 1.136 108 Y CB -0.248 38.074 38.460 -0.230 0.000 0.975 108 Y HN 0.019 nan 8.280 nan 0.000 0.498 109 I N -1.117 119.437 120.570 -0.026 0.000 3.241 109 I HA -0.126 4.043 4.170 -0.000 0.000 0.280 109 I C 1.242 177.297 176.117 -0.104 0.000 1.320 109 I CA 1.068 62.286 61.300 -0.138 0.000 1.413 109 I CB -0.549 37.430 38.000 -0.035 0.000 1.060 109 I HN 0.349 nan 8.210 nan 0.000 0.500 110 Q N 0.014 119.787 119.800 -0.046 0.000 2.360 110 Q HA 0.193 4.533 4.340 -0.000 0.000 0.202 110 Q C 0.148 176.053 176.000 -0.157 0.000 0.915 110 Q CA 0.113 55.867 55.803 -0.082 0.000 0.943 110 Q CB 0.312 29.009 28.738 -0.069 0.000 1.064 110 Q HN 0.651 nan 8.270 nan 0.000 0.511 111 H N 0.071 119.060 119.070 -0.135 0.000 2.525 111 H HA 0.218 4.774 4.556 -0.000 0.000 0.340 111 H C -0.089 175.152 175.328 -0.146 0.000 1.168 111 H CA -0.344 55.645 56.048 -0.098 0.000 1.247 111 H CB 1.432 31.194 29.762 0.000 0.000 1.568 111 H HN -0.065 nan 8.280 nan 0.000 0.536 112 T N 3.851 118.428 114.554 0.038 0.000 2.928 112 T HA 0.055 4.405 4.350 -0.000 0.000 0.305 112 T C -2.159 172.516 174.700 -0.042 0.000 1.035 112 T CA -0.806 61.285 62.100 -0.015 0.000 1.145 112 T CB 0.114 68.984 68.868 0.003 0.000 0.963 112 T HN 0.289 nan 8.240 nan 0.000 0.545 113 P HA 0.201 nan 4.420 nan 0.000 0.266 113 P C -2.296 174.997 177.300 -0.012 0.000 1.215 113 P CA -1.003 62.026 63.100 -0.118 0.000 0.763 113 P CB -0.288 31.345 31.700 -0.112 0.000 0.806 114 P HA 0.025 nan 4.420 nan 0.000 0.266 114 P C -0.357 176.990 177.300 0.078 0.000 1.195 114 P CA 0.220 63.398 63.100 0.130 0.000 0.768 114 P CB 0.384 32.246 31.700 0.270 0.000 0.838 115 Q N 3.421 123.261 119.800 0.068 0.000 2.274 115 Q HA 0.334 4.674 4.340 -0.000 0.000 0.256 115 Q C -2.031 174.007 176.000 0.064 0.000 0.927 115 Q CA -1.482 54.361 55.803 0.067 0.000 0.939 115 Q CB 0.526 29.327 28.738 0.105 0.000 1.201 115 Q HN 0.368 nan 8.270 nan 0.000 0.426 116 P HA 0.311 nan 4.420 nan 0.000 0.279 116 P C -2.381 175.098 177.300 0.299 0.000 1.252 116 P CA -1.194 61.929 63.100 0.038 0.000 0.811 116 P CB 0.146 31.679 31.700 -0.277 0.000 1.035 117 P HA 0.087 nan 4.420 nan 0.000 0.272 117 P C -0.248 177.315 177.300 0.438 0.000 1.230 117 P CA 0.032 63.322 63.100 0.316 0.000 0.788 117 P CB 0.897 32.753 31.700 0.260 0.000 0.949 118 E N 0.376 120.751 120.200 0.292 0.000 2.385 118 E HA 0.215 4.565 4.350 -0.000 0.000 0.254 118 E C -0.649 176.120 176.600 0.282 0.000 1.228 118 E CA 0.007 56.527 56.400 0.200 0.000 0.956 118 E CB 0.622 30.377 29.700 0.091 0.000 1.116 118 E HN 0.605 nan 8.360 nan 0.000 0.507 119 W N 0.826 122.105 121.300 -0.036 0.000 2.183 119 W HA 0.361 5.021 4.660 -0.000 0.000 0.289 119 W C -0.674 175.817 176.519 -0.046 0.000 1.029 119 W CA -0.305 57.029 57.345 -0.018 0.000 1.264 119 W CB 0.606 30.062 29.460 -0.006 0.000 1.232 119 W HN 0.528 nan 8.180 nan 0.000 0.311 120 G N 1.804 110.486 108.800 -0.196 0.000 2.543 120 G HA2 0.253 4.212 3.960 -0.000 0.000 0.267 120 G HA3 0.253 4.212 3.960 -0.000 0.000 0.267 120 G C 0.495 175.246 174.900 -0.247 0.000 1.406 120 G CA -0.376 44.625 45.100 -0.166 0.000 1.048 120 G HN 0.313 nan 8.290 nan 0.000 0.548 121 M N 0.384 119.889 119.600 -0.158 0.000 2.106 121 M HA -0.012 4.468 4.480 -0.000 0.000 0.259 121 M C -0.404 175.799 176.300 -0.161 0.000 1.068 121 M CA 1.782 56.999 55.300 -0.137 0.000 1.100 121 M CB -1.064 31.476 32.600 -0.099 0.000 1.351 121 M HN 0.269 nan 8.290 nan 0.000 0.404 122 P HA -0.086 nan 4.420 nan 0.000 0.217 122 P C 0.923 178.067 177.300 -0.261 0.000 1.151 122 P CA 1.267 64.266 63.100 -0.168 0.000 0.828 122 P CB 0.013 31.625 31.700 -0.147 0.000 0.788 123 E N -1.347 118.553 120.200 -0.499 0.000 2.106 123 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 123 E C 2.054 178.258 176.600 -0.660 0.000 0.984 123 E CA 1.092 56.965 56.400 -0.878 0.000 0.806 123 E CB -0.615 27.979 29.700 -1.844 0.000 0.750 123 E HN 0.176 nan 8.360 nan 0.000 0.458 124 M N -0.001 119.324 119.600 -0.458 0.000 2.086 124 M HA -0.158 4.321 4.480 -0.000 0.000 0.261 124 M C 2.142 178.511 176.300 0.115 0.000 1.067 124 M CA 1.562 56.878 55.300 0.027 0.000 1.116 124 M CB -0.123 32.507 32.600 0.049 0.000 1.348 124 M HN 0.015 nan 8.290 nan 0.000 0.407 125 R N -0.363 120.171 120.500 0.056 0.000 2.096 125 R HA -0.183 4.156 4.340 -0.000 0.000 0.235 125 R C 2.032 178.460 176.300 0.214 0.000 1.127 125 R CA 1.469 57.693 56.100 0.207 0.000 0.968 125 R CB -0.450 29.936 30.300 0.143 0.000 0.861 125 R HN 0.305 nan 8.270 nan 0.000 0.440 126 E N 1.329 121.575 120.200 0.077 0.000 2.085 126 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 126 E C 1.789 178.461 176.600 0.120 0.000 0.994 126 E CA 2.162 58.596 56.400 0.056 0.000 0.801 126 E CB -0.124 29.562 29.700 -0.022 0.000 0.743 126 E HN 0.283 nan 8.360 nan 0.000 0.453 127 S N -1.102 114.714 115.700 0.193 0.000 2.522 127 S HA -0.058 4.412 4.470 -0.000 0.000 0.227 127 S C 0.525 175.289 174.600 0.273 0.000 0.986 127 S CA 0.028 58.383 58.200 0.259 0.000 0.929 127 S CB -0.550 62.898 63.200 0.413 0.000 0.769 127 S HN 0.418 nan 8.310 nan 0.000 0.529 128 W N 3.315 124.660 121.300 0.076 0.000 2.253 128 W HA 0.533 5.193 4.660 -0.000 0.000 0.322 128 W C -0.455 176.085 176.519 0.035 0.000 1.342 128 W CA -1.027 56.349 57.345 0.052 0.000 1.218 128 W CB 0.269 29.752 29.460 0.038 0.000 1.205 128 W HN 0.013 nan 8.180 nan 0.000 0.551 129 K N 4.463 124.679 120.400 -0.308 0.000 2.498 129 K HA 0.515 4.835 4.320 -0.000 0.000 0.254 129 K C -1.669 174.698 176.600 -0.389 0.000 0.933 129 K CA -1.123 54.916 56.287 -0.414 0.000 0.806 129 K CB 2.403 34.819 32.500 -0.139 0.000 1.301 129 K HN 0.120 nan 8.250 nan 0.000 0.432 130 V N 4.600 124.274 119.914 -0.399 0.000 2.326 130 V HA 0.180 4.300 4.120 -0.000 0.000 0.281 130 V C 0.924 176.945 176.094 -0.120 0.000 1.015 130 V CA -0.518 61.662 62.300 -0.200 0.000 0.823 130 V CB 0.872 32.572 31.823 -0.206 0.000 1.009 130 V HN 0.740 nan 8.190 nan 0.000 0.436 131 L N 4.095 125.286 121.223 -0.053 0.000 2.179 131 L HA 0.162 4.502 4.340 -0.000 0.000 0.208 131 L C 0.290 177.154 176.870 -0.010 0.000 1.096 131 L CA 1.010 55.834 54.840 -0.027 0.000 0.779 131 L CB 0.055 42.114 42.059 0.000 0.000 0.922 131 L HN 0.443 nan 8.230 nan 0.000 0.443 132 V N 0.305 120.222 119.914 0.006 0.000 2.567 132 V HA 0.215 4.334 4.120 -0.000 0.000 0.298 132 V C -0.282 175.827 176.094 0.026 0.000 1.047 132 V CA -1.131 61.183 62.300 0.022 0.000 0.880 132 V CB 1.686 33.539 31.823 0.049 0.000 1.009 132 V HN 0.093 nan 8.190 nan 0.000 0.429 133 K N 4.801 125.211 120.400 0.016 0.000 2.414 133 K HA 0.168 4.487 4.320 -0.000 0.000 0.272 133 K C -1.649 174.975 176.600 0.041 0.000 0.993 133 K CA -1.193 55.107 56.287 0.021 0.000 0.964 133 K CB 0.873 33.381 32.500 0.013 0.000 0.925 133 K HN 0.312 nan 8.250 nan 0.000 0.487 134 P HA -0.193 nan 4.420 nan 0.000 0.218 134 P C 0.179 177.515 177.300 0.059 0.000 1.146 134 P CA 1.341 64.473 63.100 0.053 0.000 0.813 134 P CB 0.284 32.004 31.700 0.032 0.000 0.778 135 E N -0.828 119.399 120.200 0.046 0.000 2.107 135 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 135 E C 1.314 177.943 176.600 0.048 0.000 0.982 135 E CA 1.000 57.426 56.400 0.043 0.000 0.809 135 E CB -0.779 28.941 29.700 0.032 0.000 0.756 135 E HN 0.289 nan 8.360 nan 0.000 0.459 136 D N 0.411 120.839 120.400 0.047 0.000 2.349 136 D HA 0.023 4.663 4.640 -0.000 0.000 0.224 136 D C 0.078 176.417 176.300 0.065 0.000 1.029 136 D CA 0.252 54.281 54.000 0.048 0.000 0.879 136 D CB 0.127 40.948 40.800 0.036 0.000 0.906 136 D HN 0.085 nan 8.370 nan 0.000 0.528 137 R N 1.032 121.583 120.500 0.084 0.000 2.500 137 R HA 0.380 4.720 4.340 -0.000 0.000 0.275 137 R C -2.283 174.092 176.300 0.127 0.000 1.051 137 R CA -1.538 54.630 56.100 0.113 0.000 1.088 137 R CB 0.202 30.589 30.300 0.144 0.000 1.063 137 R HN -0.136 nan 8.270 nan 0.000 0.511 138 P HA -0.034 nan 4.420 nan 0.000 0.267 138 P C -0.046 177.389 177.300 0.226 0.000 1.200 138 P CA 0.027 63.224 63.100 0.161 0.000 0.772 138 P CB 0.623 32.433 31.700 0.182 0.000 0.855 139 K N 1.556 122.050 120.400 0.158 0.000 2.400 139 K HA 0.047 4.367 4.320 -0.000 0.000 0.194 139 K C 0.704 177.394 176.600 0.151 0.000 1.033 139 K CA 0.892 57.284 56.287 0.174 0.000 1.021 139 K CB 0.039 32.592 32.500 0.088 0.000 0.808 139 K HN 0.597 nan 8.250 nan 0.000 0.505 140 K N -0.974 119.415 120.400 -0.018 0.000 2.571 140 K HA 0.207 4.526 4.320 -0.000 0.000 0.289 140 K C -0.939 175.278 176.600 -0.638 0.000 1.028 140 K CA -0.880 55.085 56.287 -0.537 0.000 0.895 140 K CB 1.001 33.278 32.500 -0.373 0.000 1.534 140 K HN -0.238 nan 8.250 nan 0.000 0.421 141 Q N 1.418 120.542 119.800 -1.128 0.000 2.262 141 Q HA 0.084 4.424 4.340 -0.000 0.000 0.272 141 Q C -0.201 175.621 176.000 -0.295 0.000 1.076 141 Q CA -0.040 55.309 55.803 -0.757 0.000 0.905 141 Q CB 0.353 28.631 28.738 -0.768 0.000 1.182 141 Q HN 0.609 nan 8.270 nan 0.000 0.390 142 L N 3.797 124.949 121.223 -0.118 0.000 2.685 142 L HA 0.185 4.525 4.340 -0.000 0.000 0.233 142 L C -0.305 176.546 176.870 -0.032 0.000 1.173 142 L CA -0.242 54.564 54.840 -0.057 0.000 0.961 142 L CB -0.622 41.434 42.059 -0.004 0.000 1.217 142 L HN 0.608 nan 8.230 nan 0.000 0.478 143 N N -2.276 116.400 118.700 -0.039 0.000 2.571 143 N HA 0.208 4.948 4.740 -0.000 0.000 0.273 143 N C -0.423 175.069 175.510 -0.029 0.000 1.340 143 N CA -0.846 52.195 53.050 -0.014 0.000 0.789 143 N CB 0.781 39.279 38.487 0.017 0.000 1.514 143 N HN -0.036 nan 8.380 nan 0.000 0.499 144 D N -0.106 120.286 120.400 -0.013 0.000 2.525 144 D HA 0.137 4.777 4.640 -0.000 0.000 0.229 144 D C -0.331 175.970 176.300 0.001 0.000 1.202 144 D CA -0.274 53.717 54.000 -0.016 0.000 0.828 144 D CB -0.260 40.531 40.800 -0.015 0.000 1.008 144 D HN 0.399 nan 8.370 nan 0.000 0.493 145 L N 0.566 121.797 121.223 0.015 0.000 2.439 145 L HA 0.113 4.452 4.340 -0.000 0.000 0.269 145 L C 0.718 177.608 176.870 0.034 0.000 1.179 145 L CA -0.255 54.605 54.840 0.033 0.000 0.828 145 L CB 0.627 42.716 42.059 0.049 0.000 1.106 145 L HN -0.121 nan 8.230 nan 0.000 0.467 146 D N 2.640 123.065 120.400 0.041 0.000 2.551 146 D HA 0.129 4.769 4.640 -0.000 0.000 0.223 146 D C 1.107 177.438 176.300 0.052 0.000 1.144 146 D CA 0.055 54.079 54.000 0.039 0.000 1.025 146 D CB 0.397 41.219 40.800 0.037 0.000 1.085 146 D HN 0.379 nan 8.370 nan 0.000 0.506 147 L N 2.894 124.157 121.223 0.067 0.000 2.042 147 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 147 L C -0.507 176.406 176.870 0.073 0.000 1.076 147 L CA 1.038 55.928 54.840 0.083 0.000 0.749 147 L CB -1.359 40.776 42.059 0.126 0.000 0.893 147 L HN 0.292 nan 8.230 nan 0.000 0.432 148 P HA -0.147 nan 4.420 nan 0.000 0.218 148 P C 0.991 178.307 177.300 0.026 0.000 1.148 148 P CA 1.297 64.466 63.100 0.114 0.000 0.822 148 P CB -0.010 31.754 31.700 0.106 0.000 0.784 149 N N -1.435 117.260 118.700 -0.009 0.000 2.322 149 N HA 0.029 4.769 4.740 -0.000 0.000 0.194 149 N C 0.046 175.510 175.510 -0.077 0.000 1.126 149 N CA -0.066 52.951 53.050 -0.056 0.000 0.845 149 N CB -0.554 37.948 38.487 0.024 0.000 0.976 149 N HN -0.070 nan 8.380 nan 0.000 0.475 150 L N 0.514 121.703 121.223 -0.055 0.000 2.439 150 L HA 0.272 4.612 4.340 -0.000 0.000 0.269 150 L C -0.632 176.148 176.870 -0.150 0.000 1.179 150 L CA 0.463 55.305 54.840 0.002 0.000 0.828 150 L CB 0.077 42.155 42.059 0.031 0.000 1.106 150 L HN -0.011 nan 8.230 nan 0.000 0.467 151 F N 1.762 121.632 119.950 -0.133 0.000 2.477 151 F HA 0.308 4.835 4.527 -0.000 0.000 0.335 151 F C 0.373 176.136 175.800 -0.062 0.000 1.130 151 F CA -0.400 57.486 58.000 -0.189 0.000 0.948 151 F CB 1.799 40.539 39.000 -0.432 0.000 1.154 151 F HN 0.351 nan 8.300 nan 0.000 0.439 152 S N 3.687 119.468 115.700 0.136 0.000 2.439 152 S HA 0.657 5.126 4.470 -0.000 0.000 0.282 152 S C -0.737 173.965 174.600 0.170 0.000 1.170 152 S CA -0.416 57.872 58.200 0.147 0.000 1.054 152 S CB 0.114 63.402 63.200 0.148 0.000 0.956 152 S HN 0.371 nan 8.310 nan 0.000 0.490 153 V N 4.912 124.896 119.914 0.116 0.000 2.628 153 V HA 0.437 4.557 4.120 -0.000 0.000 0.306 153 V C 0.227 176.345 176.094 0.039 0.000 1.045 153 V CA -0.858 61.482 62.300 0.066 0.000 0.905 153 V CB 2.192 34.048 31.823 0.056 0.000 0.997 153 V HN 0.829 nan 8.190 nan 0.000 0.436 154 T N 5.867 120.418 114.554 -0.005 0.000 2.729 154 T HA 0.424 4.774 4.350 -0.000 0.000 0.296 154 T C 0.212 174.868 174.700 -0.075 0.000 0.928 154 T CA -0.115 61.959 62.100 -0.043 0.000 1.045 154 T CB 0.145 68.961 68.868 -0.085 0.000 0.902 154 T HN 0.408 nan 8.240 nan 0.000 0.500 155 L N 4.564 125.758 121.223 -0.049 0.000 2.598 155 L HA 0.336 4.675 4.340 -0.000 0.000 0.241 155 L C 2.022 178.848 176.870 -0.073 0.000 1.244 155 L CA -0.534 54.284 54.840 -0.036 0.000 1.198 155 L CB -0.314 41.745 42.059 -0.000 0.000 1.448 155 L HN 0.682 nan 8.230 nan 0.000 0.406 156 R N 1.147 121.571 120.500 -0.127 0.000 2.317 156 R HA -0.282 4.058 4.340 -0.000 0.000 0.222 156 R C 1.188 177.338 176.300 -0.251 0.000 1.087 156 R CA 2.877 58.860 56.100 -0.195 0.000 0.840 156 R CB -0.003 30.188 30.300 -0.182 0.000 0.874 156 R HN 0.528 nan 8.270 nan 0.000 0.418 157 D N -0.553 119.798 120.400 -0.082 0.000 2.221 157 D HA -0.106 4.534 4.640 -0.000 0.000 0.204 157 D C 1.544 177.900 176.300 0.094 0.000 0.982 157 D CA 1.361 55.378 54.000 0.029 0.000 0.857 157 D CB -0.169 40.732 40.800 0.169 0.000 0.934 157 D HN 0.499 nan 8.370 nan 0.000 0.475 158 A N 0.059 122.901 122.820 0.036 0.000 2.066 158 A HA 0.296 4.615 4.320 -0.000 0.000 0.218 158 A C 1.855 179.478 177.584 0.066 0.000 1.157 158 A CA 1.197 53.273 52.037 0.064 0.000 0.670 158 A CB -0.532 18.493 19.000 0.042 0.000 0.804 158 A HN 0.290 nan 8.150 nan 0.000 0.453 159 G N -1.057 107.737 108.800 -0.010 0.000 2.256 159 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.272 159 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.272 159 G C -0.186 174.727 174.900 0.021 0.000 1.076 159 G CA 0.560 45.668 45.100 0.012 0.000 0.882 159 G HN 0.745 nan 8.290 nan 0.000 0.497 160 Q N -1.643 118.155 119.800 -0.003 0.000 2.693 160 Q HA 0.788 5.128 4.340 -0.000 0.000 0.306 160 Q C -0.233 175.769 176.000 0.004 0.000 0.969 160 Q CA -0.859 54.953 55.803 0.014 0.000 0.757 160 Q CB 1.816 30.571 28.738 0.028 0.000 1.494 160 Q HN 0.864 nan 8.270 nan 0.000 0.459 161 I N -2.677 117.905 120.570 0.020 0.000 2.969 161 I HA 0.955 5.125 4.170 -0.000 0.000 0.307 161 I C -1.516 174.626 176.117 0.042 0.000 1.149 161 I CA -0.938 60.379 61.300 0.028 0.000 1.008 161 I CB 2.368 40.389 38.000 0.036 0.000 1.232 161 I HN 0.562 nan 8.210 nan 0.000 0.435 162 A N 4.985 127.837 122.820 0.052 0.000 2.356 162 A HA 0.825 5.145 4.320 -0.000 0.000 0.310 162 A C -0.944 176.688 177.584 0.081 0.000 1.075 162 A CA -0.603 51.471 52.037 0.063 0.000 0.746 162 A CB 0.981 20.017 19.000 0.061 0.000 1.221 162 A HN 0.778 nan 8.150 nan 0.000 0.443 163 L N 2.788 124.060 121.223 0.081 0.000 2.276 163 L HA 0.501 4.841 4.340 -0.000 0.000 0.286 163 L C -0.660 176.276 176.870 0.110 0.000 1.061 163 L CA -0.612 54.284 54.840 0.095 0.000 0.807 163 L CB 1.351 43.458 42.059 0.080 0.000 1.177 163 L HN 0.433 nan 8.230 nan 0.000 0.429 164 V N 2.262 122.264 119.914 0.146 0.000 2.495 164 V HA 0.214 4.333 4.120 -0.000 0.000 0.298 164 V C -0.124 176.090 176.094 0.199 0.000 1.031 164 V CA -0.806 61.595 62.300 0.169 0.000 0.871 164 V CB 2.098 34.041 31.823 0.201 0.000 0.988 164 V HN 0.670 nan 8.190 nan 0.000 0.432 165 D N 3.242 123.751 120.400 0.181 0.000 2.343 165 D HA 0.137 4.777 4.640 -0.000 0.000 0.255 165 D C 1.249 177.708 176.300 0.266 0.000 1.187 165 D CA 0.612 54.722 54.000 0.183 0.000 0.875 165 D CB 2.129 43.007 40.800 0.130 0.000 1.136 165 D HN 0.668 nan 8.370 nan 0.000 0.469 166 G N 4.109 113.088 108.800 0.298 0.000 2.491 166 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 166 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 166 G C 1.113 176.233 174.900 0.368 0.000 1.180 166 G CA 0.615 45.960 45.100 0.407 0.000 0.774 166 G HN 0.520 nan 8.290 nan 0.000 0.562 167 D N 0.054 120.588 120.400 0.222 0.000 2.194 167 D HA -0.042 4.597 4.640 -0.000 0.000 0.204 167 D C 2.906 179.272 176.300 0.110 0.000 0.964 167 D CA 1.380 55.471 54.000 0.153 0.000 0.846 167 D CB -0.138 40.723 40.800 0.102 0.000 0.962 167 D HN 0.471 nan 8.370 nan 0.000 0.490 168 S N -0.337 115.428 115.700 0.110 0.000 2.528 168 S HA 0.027 4.497 4.470 -0.000 0.000 0.219 168 S C 0.896 175.531 174.600 0.059 0.000 0.985 168 S CA -0.008 58.233 58.200 0.069 0.000 0.914 168 S CB 0.292 63.529 63.200 0.062 0.000 0.776 168 S HN -0.115 nan 8.310 nan 0.000 0.526 169 K N 0.321 120.785 120.400 0.108 0.000 3.088 169 K HA -0.124 4.196 4.320 -0.000 0.000 0.273 169 K C -0.687 175.944 176.600 0.053 0.000 1.111 169 K CA 0.987 57.312 56.287 0.064 0.000 0.803 169 K CB -1.987 30.461 32.500 -0.086 0.000 1.226 169 K HN 0.621 nan 8.250 nan 0.000 0.485 170 K N -0.135 120.315 120.400 0.082 0.000 2.267 170 K HA 0.501 4.821 4.320 -0.000 0.000 0.246 170 K C 0.031 176.680 176.600 0.083 0.000 0.954 170 K CA -0.914 55.410 56.287 0.062 0.000 0.824 170 K CB 1.517 34.045 32.500 0.046 0.000 1.167 170 K HN -0.013 nan 8.250 nan 0.000 0.431 171 I N 3.020 123.631 120.570 0.067 0.000 2.421 171 I HA -0.063 4.107 4.170 -0.000 0.000 0.291 171 I C 1.244 177.399 176.117 0.064 0.000 1.089 171 I CA -0.116 61.227 61.300 0.072 0.000 1.354 171 I CB 0.858 38.894 38.000 0.059 0.000 1.413 171 I HN 0.487 nan 8.210 nan 0.000 0.513 172 V N 5.514 125.471 119.914 0.072 0.000 2.407 172 V HA -0.071 4.049 4.120 -0.000 0.000 0.245 172 V C 0.631 176.758 176.094 0.055 0.000 1.041 172 V CA 1.436 63.774 62.300 0.063 0.000 1.040 172 V CB -0.397 31.468 31.823 0.069 0.000 0.671 172 V HN 0.747 nan 8.190 nan 0.000 0.455 173 K N -0.964 119.471 120.400 0.058 0.000 2.557 173 K HA 0.500 4.820 4.320 -0.000 0.000 0.257 173 K C -1.747 174.884 176.600 0.052 0.000 0.933 173 K CA -0.314 56.004 56.287 0.052 0.000 0.820 173 K CB 2.200 34.731 32.500 0.052 0.000 1.330 173 K HN -0.156 nan 8.250 nan 0.000 0.432 174 V N 5.382 125.324 119.914 0.046 0.000 2.435 174 V HA 0.572 4.691 4.120 -0.000 0.000 0.290 174 V C -0.246 175.874 176.094 0.043 0.000 1.030 174 V CA -0.659 61.668 62.300 0.045 0.000 0.881 174 V CB 1.290 33.138 31.823 0.041 0.000 0.983 174 V HN 0.660 nan 8.190 nan 0.000 0.445 175 I N 3.203 123.798 120.570 0.043 0.000 2.474 175 I HA 0.405 4.574 4.170 -0.000 0.000 0.294 175 I C -0.561 175.580 176.117 0.040 0.000 1.005 175 I CA -0.752 60.574 61.300 0.042 0.000 1.113 175 I CB 2.132 40.158 38.000 0.044 0.000 1.289 175 I HN 0.488 nan 8.210 nan 0.000 0.436 176 D N 4.608 125.032 120.400 0.041 0.000 2.390 176 D HA 0.313 4.953 4.640 -0.000 0.000 0.249 176 D C 0.323 176.649 176.300 0.043 0.000 1.144 176 D CA 0.478 54.504 54.000 0.044 0.000 0.880 176 D CB 1.521 42.348 40.800 0.045 0.000 1.182 176 D HN 0.693 nan 8.370 nan 0.000 0.451 177 T N -1.638 112.942 114.554 0.044 0.000 2.590 177 T HA 0.640 4.990 4.350 -0.000 0.000 0.282 177 T C 0.462 175.194 174.700 0.054 0.000 0.989 177 T CA -0.994 61.131 62.100 0.041 0.000 1.091 177 T CB 0.809 69.692 68.868 0.026 0.000 1.460 177 T HN 0.214 nan 8.240 nan 0.000 0.499 178 G N -0.651 108.178 108.800 0.049 0.000 2.539 178 G HA2 0.439 4.398 3.960 -0.000 0.000 0.258 178 G HA3 0.439 4.398 3.960 -0.000 0.000 0.258 178 G C -0.951 174.006 174.900 0.096 0.000 1.202 178 G CA -0.582 44.562 45.100 0.073 0.000 0.851 178 G HN 0.701 nan 8.290 nan 0.000 0.556 179 Y N 1.278 121.592 120.300 0.023 0.000 2.610 179 Y HA 0.262 4.811 4.550 -0.000 0.000 0.332 179 Y C 0.971 176.896 175.900 0.042 0.000 1.201 179 Y CA 0.510 58.631 58.100 0.034 0.000 1.465 179 Y CB 0.381 38.862 38.460 0.036 0.000 1.283 179 Y HN 1.290 nan 8.280 nan 0.000 0.563 180 A N 4.051 126.430 122.820 -0.734 0.000 2.203 180 A HA -0.170 4.150 4.320 -0.000 0.000 0.279 180 A C 0.039 177.528 177.584 -0.159 0.000 1.396 180 A CA 0.583 52.326 52.037 -0.489 0.000 0.747 180 A CB -2.449 16.261 19.000 -0.484 0.000 1.151 180 A HN 0.681 nan 8.150 nan 0.000 0.345 181 V N 1.780 121.625 119.914 -0.116 0.000 2.720 181 V HA -0.047 4.072 4.120 -0.000 0.000 0.307 181 V C 1.688 177.766 176.094 -0.028 0.000 1.071 181 V CA 1.576 63.853 62.300 -0.038 0.000 1.199 181 V CB 0.691 32.496 31.823 -0.030 0.000 0.900 181 V HN 0.867 nan 8.190 nan 0.000 0.494 182 H N 4.204 123.247 119.070 -0.045 0.000 2.439 182 H HA 0.392 4.948 4.556 -0.000 0.000 0.299 182 H C 0.550 175.900 175.328 0.038 0.000 1.033 182 H CA 1.174 57.215 56.048 -0.013 0.000 1.348 182 H CB 0.513 30.253 29.762 -0.037 0.000 1.449 182 H HN 0.677 nan 8.280 nan 0.000 0.544 183 I N -2.809 117.795 120.570 0.057 0.000 3.095 183 I HA 0.580 4.749 4.170 -0.000 0.000 0.310 183 I C -1.171 174.712 176.117 -0.390 0.000 1.196 183 I CA -1.022 60.183 61.300 -0.157 0.000 0.985 183 I CB 2.762 40.652 38.000 -0.184 0.000 1.250 183 I HN -0.212 nan 8.210 nan 0.000 0.446 184 S N 2.207 117.316 115.700 -0.986 0.000 2.500 184 S HA 0.713 5.183 4.470 -0.000 0.000 0.301 184 S C -0.777 173.442 174.600 -0.635 0.000 1.092 184 S CA -0.803 57.028 58.200 -0.614 0.000 1.030 184 S CB 1.529 64.526 63.200 -0.339 0.000 1.031 184 S HN 0.469 nan 8.310 nan 0.000 0.483 185 R N 1.618 121.932 120.500 -0.309 0.000 2.795 185 R HA 0.539 4.879 4.340 -0.000 0.000 0.275 185 R C -1.100 175.139 176.300 -0.103 0.000 0.981 185 R CA -0.805 55.169 56.100 -0.210 0.000 0.917 185 R CB 1.380 31.576 30.300 -0.172 0.000 1.202 185 R HN 0.481 nan 8.270 nan 0.000 0.469 186 M N 0.976 120.541 119.600 -0.059 0.000 2.404 186 M HA 0.289 4.768 4.480 -0.000 0.000 0.338 186 M C 0.484 176.776 176.300 -0.012 0.000 1.150 186 M CA -0.658 54.627 55.300 -0.024 0.000 1.016 186 M CB 1.760 34.352 32.600 -0.013 0.000 1.672 186 M HN 0.682 nan 8.290 nan 0.000 0.448 187 S N 1.269 116.977 115.700 0.012 0.000 2.593 187 S HA 0.421 4.891 4.470 -0.000 0.000 0.269 187 S C 1.137 175.735 174.600 -0.003 0.000 1.334 187 S CA -0.125 58.089 58.200 0.024 0.000 1.015 187 S CB 0.737 63.991 63.200 0.090 0.000 0.912 187 S HN 0.740 nan 8.310 nan 0.000 0.541 188 A N 1.638 124.457 122.820 -0.002 0.000 2.178 188 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 188 A C 2.227 179.795 177.584 -0.028 0.000 1.157 188 A CA 1.485 53.508 52.037 -0.024 0.000 0.689 188 A CB -1.220 17.782 19.000 0.005 0.000 0.787 188 A HN 1.254 nan 8.150 nan 0.000 0.465 189 S N -2.407 113.283 115.700 -0.016 0.000 2.503 189 S HA 0.374 4.844 4.470 -0.000 0.000 0.217 189 S C 1.454 176.043 174.600 -0.018 0.000 0.999 189 S CA 1.025 59.213 58.200 -0.020 0.000 0.914 189 S CB -0.226 62.936 63.200 -0.064 0.000 0.782 189 S HN 1.856 nan 8.310 nan 0.000 0.520 190 G N 1.913 110.693 108.800 -0.033 0.000 2.143 190 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.248 190 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.248 190 G C 0.700 175.544 174.900 -0.095 0.000 0.991 190 G CA 0.461 45.559 45.100 -0.003 0.000 0.689 190 G HN 0.624 nan 8.290 nan 0.000 0.522 191 R N -1.231 119.079 120.500 -0.316 0.000 2.195 191 R HA 0.321 4.660 4.340 -0.000 0.000 0.197 191 R C 0.009 175.890 176.300 -0.699 0.000 0.990 191 R CA 0.179 55.825 56.100 -0.756 0.000 1.048 191 R CB 0.303 29.689 30.300 -1.524 0.000 0.997 191 R HN 0.340 nan 8.270 nan 0.000 0.502 192 Y N 0.828 121.000 120.300 -0.213 0.000 2.341 192 Y HA 0.356 4.906 4.550 -0.000 0.000 0.337 192 Y C -0.567 175.280 175.900 -0.088 0.000 1.014 192 Y CA -1.160 56.857 58.100 -0.139 0.000 1.111 192 Y CB 1.782 40.162 38.460 -0.134 0.000 1.194 192 Y HN -0.039 nan 8.280 nan 0.000 0.462 193 L N 5.036 126.312 121.223 0.088 0.000 2.296 193 L HA 0.637 4.977 4.340 -0.000 0.000 0.286 193 L C -1.555 175.335 176.870 0.033 0.000 1.023 193 L CA -0.374 54.487 54.840 0.035 0.000 0.812 193 L CB 0.612 42.685 42.059 0.023 0.000 1.223 193 L HN 0.579 nan 8.230 nan 0.000 0.421 194 L N 6.102 127.318 121.223 -0.012 0.000 2.317 194 L HA 0.807 5.146 4.340 -0.000 0.000 0.281 194 L C -0.664 176.167 176.870 -0.065 0.000 1.024 194 L CA -0.908 53.912 54.840 -0.033 0.000 0.810 194 L CB 1.972 43.999 42.059 -0.053 0.000 1.240 194 L HN 0.560 nan 8.230 nan 0.000 0.427 195 V N 1.416 121.301 119.914 -0.047 0.000 2.925 195 V HA 0.681 4.801 4.120 -0.000 0.000 0.311 195 V C -0.934 175.135 176.094 -0.042 0.000 1.104 195 V CA -0.699 61.568 62.300 -0.056 0.000 0.954 195 V CB 2.211 34.019 31.823 -0.026 0.000 1.022 195 V HN 0.699 nan 8.190 nan 0.000 0.427 196 I N 2.540 123.083 120.570 -0.045 0.000 2.534 196 I HA 0.819 4.989 4.170 -0.000 0.000 0.288 196 I C 0.471 176.581 176.117 -0.013 0.000 1.077 196 I CA -0.286 60.994 61.300 -0.034 0.000 1.051 196 I CB 1.656 39.622 38.000 -0.057 0.000 1.234 196 I HN 1.047 nan 8.210 nan 0.000 0.425 197 G N 5.226 114.024 108.800 -0.003 0.000 2.504 197 G HA2 0.253 4.213 3.960 -0.000 0.000 0.288 197 G HA3 0.253 4.213 3.960 -0.000 0.000 0.288 197 G C 0.705 175.614 174.900 0.015 0.000 1.182 197 G CA -0.684 44.426 45.100 0.017 0.000 0.894 197 G HN 0.880 nan 8.290 nan 0.000 0.521 198 R N -0.648 119.883 120.500 0.051 0.000 2.241 198 R HA -0.080 4.260 4.340 -0.000 0.000 0.224 198 R C 0.717 177.028 176.300 0.019 0.000 1.101 198 R CA 1.662 57.779 56.100 0.027 0.000 0.995 198 R CB -0.160 30.204 30.300 0.106 0.000 0.870 198 R HN 0.457 nan 8.270 nan 0.000 0.463 199 D N 0.348 120.776 120.400 0.048 0.000 2.325 199 D HA 0.152 4.792 4.640 -0.000 0.000 0.234 199 D C 0.724 176.981 176.300 -0.071 0.000 1.122 199 D CA 0.340 54.345 54.000 0.007 0.000 0.850 199 D CB 0.576 41.403 40.800 0.045 0.000 0.921 199 D HN 0.336 nan 8.370 nan 0.000 0.513 200 A N -0.034 122.742 122.820 -0.074 0.000 3.153 200 A HA -0.317 4.003 4.320 -0.000 0.000 0.265 200 A C 0.831 178.364 177.584 -0.085 0.000 1.212 200 A CA 1.008 52.980 52.037 -0.109 0.000 1.018 200 A CB -2.326 16.557 19.000 -0.194 0.000 1.130 200 A HN 0.499 nan 8.150 nan 0.000 0.873 201 R N 0.381 120.855 120.500 -0.043 0.000 2.216 201 R HA 0.580 4.919 4.340 -0.000 0.000 0.332 201 R C -0.398 175.906 176.300 0.006 0.000 1.056 201 R CA -0.385 55.712 56.100 -0.005 0.000 0.901 201 R CB 0.104 30.416 30.300 0.020 0.000 1.039 201 R HN 0.513 nan 8.270 nan 0.000 0.456 202 I N 4.221 124.801 120.570 0.016 0.000 2.359 202 I HA 0.220 4.390 4.170 -0.000 0.000 0.294 202 I C -0.283 175.853 176.117 0.032 0.000 0.987 202 I CA -0.521 60.785 61.300 0.011 0.000 1.225 202 I CB 1.731 39.731 38.000 -0.000 0.000 1.366 202 I HN 0.485 nan 8.210 nan 0.000 0.466 203 D N 7.533 127.946 120.400 0.022 0.000 2.391 203 D HA 0.356 4.996 4.640 -0.000 0.000 0.245 203 D C -0.716 175.602 176.300 0.029 0.000 1.069 203 D CA -0.390 53.630 54.000 0.035 0.000 0.831 203 D CB 2.841 43.662 40.800 0.036 0.000 1.204 203 D HN 0.394 nan 8.370 nan 0.000 0.503 204 M N 3.106 122.729 119.600 0.039 0.000 2.180 204 M HA 0.417 4.897 4.480 -0.000 0.000 0.350 204 M C -1.238 175.116 176.300 0.089 0.000 1.125 204 M CA -0.404 54.921 55.300 0.041 0.000 1.031 204 M CB 0.845 33.441 32.600 -0.006 0.000 1.623 204 M HN 0.290 nan 8.290 nan 0.000 0.451 205 I N 3.729 124.374 120.570 0.125 0.000 2.406 205 I HA 0.261 4.430 4.170 -0.000 0.000 0.290 205 I C -0.750 175.461 176.117 0.156 0.000 0.999 205 I CA -0.740 60.634 61.300 0.123 0.000 1.124 205 I CB 1.794 39.837 38.000 0.073 0.000 1.289 205 I HN 0.539 nan 8.210 nan 0.000 0.441 206 D N 6.490 126.963 120.400 0.122 0.000 2.347 206 D HA 0.259 4.899 4.640 -0.000 0.000 0.235 206 D C 0.631 176.912 176.300 -0.032 0.000 1.149 206 D CA -0.060 53.929 54.000 -0.018 0.000 0.850 206 D CB 1.287 42.124 40.800 0.062 0.000 1.061 206 D HN 0.434 nan 8.370 nan 0.000 0.487 207 L N 2.833 123.992 121.223 -0.108 0.000 2.554 207 L HA 0.057 4.396 4.340 -0.000 0.000 0.226 207 L C 1.183 178.182 176.870 0.216 0.000 1.137 207 L CA -0.005 54.860 54.840 0.041 0.000 0.863 207 L CB 0.072 42.154 42.059 0.038 0.000 0.985 207 L HN 0.476 nan 8.230 nan 0.000 0.451 208 W N 0.636 121.866 121.300 -0.117 0.000 2.863 208 W HA 0.273 4.933 4.660 -0.000 0.000 0.258 208 W C 1.511 178.005 176.519 -0.043 0.000 1.298 208 W CA -0.848 56.447 57.345 -0.083 0.000 1.451 208 W CB -0.589 28.804 29.460 -0.112 0.000 1.107 208 W HN -0.054 nan 8.180 nan 0.000 0.641 209 A N 1.003 123.930 122.820 0.179 0.000 2.475 209 A HA -0.002 4.318 4.320 -0.000 0.000 0.239 209 A C 1.658 179.291 177.584 0.081 0.000 1.087 209 A CA 0.303 52.408 52.037 0.113 0.000 0.779 209 A CB 0.406 19.460 19.000 0.089 0.000 1.036 209 A HN 0.240 nan 8.150 nan 0.000 0.506 210 K N -0.212 120.222 120.400 0.057 0.000 2.044 210 K HA -0.150 4.170 4.320 -0.000 0.000 0.210 210 K C 0.580 177.206 176.600 0.043 0.000 1.049 210 K CA 1.817 58.127 56.287 0.039 0.000 0.927 210 K CB 0.036 32.554 32.500 0.030 0.000 0.713 210 K HN 0.769 nan 8.250 nan 0.000 0.443 211 E N 0.915 121.143 120.200 0.048 0.000 2.216 211 E HA 0.188 4.537 4.350 -0.000 0.000 0.260 211 E C -2.663 173.971 176.600 0.056 0.000 0.880 211 E CA -2.773 53.656 56.400 0.048 0.000 0.765 211 E CB 1.628 31.353 29.700 0.041 0.000 1.174 211 E HN -0.137 nan 8.360 nan 0.000 0.417 212 P HA -0.114 nan 4.420 nan 0.000 0.255 212 P C -0.589 176.747 177.300 0.059 0.000 1.161 212 P CA 0.621 63.759 63.100 0.063 0.000 0.768 212 P CB 0.085 31.822 31.700 0.061 0.000 0.746 213 T N 0.523 115.115 114.554 0.064 0.000 2.901 213 T HA 0.478 4.828 4.350 -0.000 0.000 0.293 213 T C -0.272 174.471 174.700 0.071 0.000 1.084 213 T CA -1.210 60.927 62.100 0.062 0.000 1.008 213 T CB 1.713 70.616 68.868 0.057 0.000 1.170 213 T HN 0.083 nan 8.240 nan 0.000 0.509 214 K N 1.157 121.595 120.400 0.063 0.000 2.276 214 K HA 0.413 4.733 4.320 -0.000 0.000 0.283 214 K C 1.033 177.673 176.600 0.066 0.000 1.044 214 K CA -0.437 55.889 56.287 0.066 0.000 0.944 214 K CB 1.290 33.821 32.500 0.052 0.000 1.012 214 K HN 0.546 nan 8.250 nan 0.000 0.472 215 V N -0.915 119.047 119.914 0.079 0.000 3.635 215 V HA 0.435 4.555 4.120 -0.000 0.000 0.266 215 V C 0.251 176.371 176.094 0.043 0.000 1.316 215 V CA 0.130 62.471 62.300 0.068 0.000 1.060 215 V CB 0.262 32.148 31.823 0.106 0.000 0.820 215 V HN 0.654 nan 8.190 nan 0.000 0.447 216 A N 0.879 123.728 122.820 0.049 0.000 2.594 216 A HA 0.782 5.102 4.320 -0.000 0.000 0.296 216 A C -0.990 176.648 177.584 0.091 0.000 1.061 216 A CA -0.082 51.997 52.037 0.070 0.000 0.689 216 A CB 1.558 20.623 19.000 0.108 0.000 1.280 216 A HN 0.703 nan 8.150 nan 0.000 0.406 217 E N 0.802 121.079 120.200 0.129 0.000 2.390 217 E HA 0.853 5.203 4.350 -0.000 0.000 0.277 217 E C -1.465 175.274 176.600 0.231 0.000 0.939 217 E CA -0.714 55.767 56.400 0.137 0.000 0.769 217 E CB 2.095 31.847 29.700 0.088 0.000 1.251 217 E HN 0.996 nan 8.360 nan 0.000 0.450 218 I N 0.310 120.996 120.570 0.192 0.000 2.947 218 I HA 0.359 4.529 4.170 -0.000 0.000 0.301 218 I C -2.022 174.190 176.117 0.158 0.000 1.453 218 I CA -0.792 60.648 61.300 0.233 0.000 0.984 218 I CB 2.263 40.405 38.000 0.237 0.000 1.333 218 I HN 0.646 nan 8.210 nan 0.000 0.475 219 K N 5.638 126.162 120.400 0.208 0.000 2.394 219 K HA 0.432 4.752 4.320 -0.000 0.000 0.260 219 K C 0.141 176.817 176.600 0.126 0.000 0.967 219 K CA -0.516 55.824 56.287 0.088 0.000 0.855 219 K CB 1.081 33.612 32.500 0.051 0.000 1.101 219 K HN 0.595 nan 8.250 nan 0.000 0.433 220 I N 0.289 120.843 120.570 -0.027 0.000 3.883 220 I HA 0.389 4.559 4.170 -0.000 0.000 0.326 220 I C 0.457 176.486 176.117 -0.148 0.000 1.283 220 I CA -0.158 61.157 61.300 0.025 0.000 1.161 220 I CB 0.745 38.758 38.000 0.023 0.000 1.012 220 I HN 0.600 nan 8.210 nan 0.000 0.421 221 G N 0.111 108.548 108.800 -0.604 0.000 2.348 221 G HA2 0.285 4.245 3.960 -0.000 0.000 0.296 221 G HA3 0.285 4.245 3.960 -0.000 0.000 0.296 221 G C -0.244 174.265 174.900 -0.653 0.000 1.258 221 G CA -0.291 44.476 45.100 -0.556 0.000 0.868 221 G HN -0.113 nan 8.290 nan 0.000 0.488 222 I N -0.006 120.431 120.570 -0.221 0.000 2.628 222 I HA 0.260 4.430 4.170 -0.000 0.000 0.255 222 I C 1.011 177.108 176.117 -0.034 0.000 1.119 222 I CA 1.176 62.412 61.300 -0.107 0.000 1.448 222 I CB -0.276 37.837 38.000 0.188 0.000 1.133 222 I HN 0.624 nan 8.210 nan 0.000 0.438 223 E N 0.283 120.527 120.200 0.073 0.000 2.317 223 E HA 0.680 5.030 4.350 -0.000 0.000 0.270 223 E C -1.353 175.254 176.600 0.012 0.000 0.885 223 E CA -0.554 55.888 56.400 0.069 0.000 0.760 223 E CB 2.907 32.724 29.700 0.194 0.000 1.227 223 E HN 0.166 nan 8.360 nan 0.000 0.434 224 A N 2.672 125.419 122.820 -0.121 0.000 2.557 224 A HA 0.662 4.981 4.320 -0.000 0.000 0.292 224 A C -0.602 176.761 177.584 -0.369 0.000 1.139 224 A CA -0.589 51.326 52.037 -0.203 0.000 0.665 224 A CB 1.564 20.498 19.000 -0.110 0.000 1.285 224 A HN 0.588 nan 8.150 nan 0.000 0.433 225 R N -0.816 119.473 120.500 -0.352 0.000 2.729 225 R HA 0.271 4.610 4.340 -0.000 0.000 0.215 225 R C 0.295 176.476 176.300 -0.198 0.000 0.970 225 R CA 0.789 56.654 56.100 -0.392 0.000 1.196 225 R CB 0.412 30.332 30.300 -0.633 0.000 1.670 225 R HN 0.665 nan 8.270 nan 0.000 0.575 226 S N 0.250 115.857 115.700 -0.156 0.000 2.600 226 S HA 0.742 5.212 4.470 -0.000 0.000 0.300 226 S C -1.306 173.212 174.600 -0.137 0.000 1.087 226 S CA -0.524 57.597 58.200 -0.131 0.000 0.965 226 S CB 1.871 64.992 63.200 -0.131 0.000 1.089 226 S HN -0.045 nan 8.310 nan 0.000 0.496 227 V N 2.079 121.899 119.914 -0.156 0.000 3.048 227 V HA 0.882 5.002 4.120 -0.000 0.000 0.303 227 V C -1.779 174.196 176.094 -0.198 0.000 1.214 227 V CA -0.341 61.855 62.300 -0.174 0.000 0.984 227 V CB 2.255 33.996 31.823 -0.138 0.000 1.054 227 V HN 1.023 nan 8.190 nan 0.000 0.430 228 E N 2.648 122.705 120.200 -0.239 0.000 2.390 228 E HA 0.683 5.033 4.350 -0.000 0.000 0.280 228 E C -1.797 174.717 176.600 -0.143 0.000 0.992 228 E CA -0.225 56.056 56.400 -0.199 0.000 0.790 228 E CB 2.407 31.968 29.700 -0.233 0.000 1.248 228 E HN 0.775 nan 8.360 nan 0.000 0.447 229 S N 0.967 116.698 115.700 0.051 0.000 2.532 229 S HA 0.575 5.045 4.470 -0.000 0.000 0.301 229 S C -0.961 173.838 174.600 0.332 0.000 1.083 229 S CA -0.283 58.014 58.200 0.161 0.000 1.025 229 S CB 0.704 63.934 63.200 0.051 0.000 1.056 229 S HN 0.660 nan 8.310 nan 0.000 0.494 230 S N 3.376 119.227 115.700 0.251 0.000 2.515 230 S HA 0.231 4.701 4.470 -0.000 0.000 0.285 230 S C 0.104 174.728 174.600 0.040 0.000 1.265 230 S CA -0.152 58.000 58.200 -0.080 0.000 1.079 230 S CB 0.142 63.042 63.200 -0.499 0.000 0.877 230 S HN 0.728 nan 8.310 nan 0.000 0.493 231 K N 1.718 122.148 120.400 0.050 0.000 2.537 231 K HA 0.239 4.559 4.320 -0.000 0.000 0.206 231 K C -0.606 176.053 176.600 0.098 0.000 1.041 231 K CA -0.307 56.002 56.287 0.036 0.000 1.090 231 K CB 0.260 32.720 32.500 -0.066 0.000 0.833 231 K HN 0.654 nan 8.250 nan 0.000 0.493 232 F N 2.494 122.463 119.950 0.031 0.000 2.375 232 F HA 0.196 4.723 4.527 -0.001 0.000 0.333 232 F C 0.382 176.308 175.800 0.210 0.000 1.104 232 F CA -1.011 57.026 58.000 0.061 0.000 1.149 232 F CB 0.674 39.641 39.000 -0.054 0.000 1.190 232 F HN -0.248 nan 8.300 nan 0.000 0.533 233 K N 3.620 123.627 120.400 -0.655 0.000 2.504 233 K HA 0.166 4.486 4.320 -0.000 0.000 0.278 233 K C 0.892 177.419 176.600 -0.121 0.000 1.025 233 K CA 0.982 57.029 56.287 -0.400 0.000 1.093 233 K CB -0.552 31.617 32.500 -0.551 0.000 0.873 233 K HN 1.005 nan 8.250 nan 0.000 0.483 234 G N 2.815 111.588 108.800 -0.045 0.000 2.141 234 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.242 234 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.242 234 G C -0.018 174.748 174.900 -0.223 0.000 0.982 234 G CA 0.032 45.062 45.100 -0.117 0.000 0.662 234 G HN 0.588 nan 8.290 nan 0.000 0.527 235 Y N 0.849 121.180 120.300 0.051 0.000 2.721 235 Y HA 0.341 4.890 4.550 -0.001 0.000 0.251 235 Y C 0.820 176.704 175.900 -0.027 0.000 1.136 235 Y CA -0.871 57.261 58.100 0.053 0.000 1.142 235 Y CB 0.448 39.025 38.460 0.195 0.000 1.212 235 Y HN 0.328 nan 8.280 nan 0.000 0.565 236 E N 1.828 122.068 120.200 0.067 0.000 2.480 236 E HA -0.060 4.290 4.350 -0.000 0.000 0.258 236 E C -0.260 176.327 176.600 -0.020 0.000 0.984 236 E CA 0.581 56.995 56.400 0.023 0.000 0.930 236 E CB 0.192 29.896 29.700 0.007 0.000 0.936 236 E HN 0.334 nan 8.360 nan 0.000 0.466 237 D N 2.230 122.611 120.400 -0.032 0.000 2.911 237 D HA -0.219 4.421 4.640 -0.000 0.000 0.227 237 D C 0.816 177.014 176.300 -0.170 0.000 1.164 237 D CA 0.547 54.496 54.000 -0.085 0.000 0.782 237 D CB -0.380 40.381 40.800 -0.064 0.000 1.094 237 D HN 0.450 nan 8.370 nan 0.000 0.425 238 R N -0.855 119.524 120.500 -0.203 0.000 2.057 238 R HA 0.065 4.405 4.340 -0.000 0.000 0.224 238 R C 0.643 176.467 176.300 -0.793 0.000 1.136 238 R CA 1.270 57.090 56.100 -0.466 0.000 0.968 238 R CB 0.076 30.168 30.300 -0.347 0.000 0.863 238 R HN 0.294 nan 8.270 nan 0.000 0.433 239 Y N -1.185 119.039 120.300 -0.127 0.000 2.545 239 Y HA 0.370 4.920 4.550 -0.001 0.000 0.348 239 Y C -0.308 175.599 175.900 0.011 0.000 1.002 239 Y CA -0.777 57.276 58.100 -0.078 0.000 1.039 239 Y CB 2.241 40.626 38.460 -0.125 0.000 1.271 239 Y HN -0.259 nan 8.280 nan 0.000 0.467 240 T N 3.671 118.309 114.554 0.141 0.000 2.848 240 T HA 0.588 4.938 4.350 -0.000 0.000 0.285 240 T C -1.239 173.374 174.700 -0.145 0.000 0.995 240 T CA -0.492 61.598 62.100 -0.018 0.000 0.970 240 T CB 1.129 69.960 68.868 -0.061 0.000 0.976 240 T HN 0.549 nan 8.240 nan 0.000 0.441 241 I N 2.356 122.668 120.570 -0.430 0.000 2.646 241 I HA 0.825 4.995 4.170 -0.000 0.000 0.299 241 I C -1.099 174.817 176.117 -0.336 0.000 1.036 241 I CA -0.843 60.165 61.300 -0.486 0.000 1.074 241 I CB 1.292 38.648 38.000 -1.072 0.000 1.258 241 I HN 0.767 nan 8.210 nan 0.000 0.430 242 A N 4.624 127.337 122.820 -0.178 0.000 2.486 242 A HA 0.793 5.112 4.320 -0.000 0.000 0.300 242 A C -0.711 176.851 177.584 -0.037 0.000 1.048 242 A CA -0.429 51.536 52.037 -0.121 0.000 0.696 242 A CB 1.538 20.490 19.000 -0.080 0.000 1.278 242 A HN 0.826 nan 8.150 nan 0.000 0.405 243 G N 0.195 108.967 108.800 -0.046 0.000 2.388 243 G HA2 0.734 4.693 3.960 -0.000 0.000 0.330 243 G HA3 0.734 4.693 3.960 -0.000 0.000 0.330 243 G C -0.183 174.746 174.900 0.048 0.000 1.142 243 G CA 0.209 45.329 45.100 0.033 0.000 0.908 243 G HN 1.524 nan 8.290 nan 0.000 0.473 244 A N 1.151 124.032 122.820 0.101 0.000 2.322 244 A HA 0.715 5.035 4.320 -0.000 0.000 0.327 244 A C -0.116 177.642 177.584 0.290 0.000 1.134 244 A CA -0.642 51.465 52.037 0.117 0.000 0.831 244 A CB 1.184 20.214 19.000 0.050 0.000 1.288 244 A HN 0.655 nan 8.150 nan 0.000 0.472 245 Y N -0.673 119.672 120.300 0.075 0.000 2.396 245 Y HA 0.190 4.740 4.550 -0.001 0.000 0.292 245 Y C 0.513 176.576 175.900 0.272 0.000 1.128 245 Y CA 0.023 58.210 58.100 0.144 0.000 1.194 245 Y CB 0.367 38.917 38.460 0.150 0.000 1.124 245 Y HN 0.669 nan 8.280 nan 0.000 0.543 246 W N 1.672 123.102 121.300 0.216 0.000 3.097 246 W HA 0.335 4.995 4.660 0.001 0.000 0.335 246 W C -3.145 173.428 176.519 0.091 0.000 1.114 246 W CA -2.244 55.186 57.345 0.142 0.000 1.231 246 W CB 2.116 31.669 29.460 0.156 0.000 1.388 246 W HN -0.160 nan 8.180 nan 0.000 0.485 247 P HA 0.134 nan 4.420 nan 0.000 0.272 247 P C -2.520 174.512 177.300 -0.446 0.000 1.240 247 P CA -0.762 61.667 63.100 -1.119 0.000 0.791 247 P CB 0.180 31.422 31.700 -0.763 0.000 0.978 248 P HA 0.050 nan 4.420 nan 0.000 0.264 248 P C -0.754 176.481 177.300 -0.109 0.000 1.537 248 P CA 0.563 63.583 63.100 -0.133 0.000 1.189 248 P CB -0.515 31.129 31.700 -0.094 0.000 1.687 249 Q N 2.230 121.996 119.800 -0.056 0.000 2.630 249 Q HA 0.681 5.021 4.340 -0.000 0.000 0.295 249 Q C -1.409 174.630 176.000 0.066 0.000 0.944 249 Q CA -1.060 54.705 55.803 -0.064 0.000 0.766 249 Q CB 1.383 30.032 28.738 -0.148 0.000 1.471 249 Q HN 0.176 nan 8.270 nan 0.000 0.416 250 F N -1.335 118.581 119.950 -0.057 0.000 2.603 250 F HA 0.979 5.505 4.527 -0.001 0.000 0.317 250 F C -1.532 174.226 175.800 -0.069 0.000 1.066 250 F CA -0.957 57.001 58.000 -0.070 0.000 0.941 250 F CB 1.870 40.816 39.000 -0.090 0.000 1.291 250 F HN 0.815 nan 8.300 nan 0.000 0.472 251 A N 2.873 125.787 122.820 0.156 0.000 2.393 251 A HA 0.813 5.133 4.320 -0.000 0.000 0.306 251 A C -1.341 176.283 177.584 0.068 0.000 1.050 251 A CA -0.781 51.279 52.037 0.040 0.000 0.724 251 A CB 1.085 20.085 19.000 0.000 0.000 1.248 251 A HN 0.809 nan 8.150 nan 0.000 0.424 252 I N 2.315 122.911 120.570 0.043 0.000 2.354 252 I HA 0.451 4.621 4.170 -0.000 0.000 0.292 252 I C -0.138 175.985 176.117 0.010 0.000 0.989 252 I CA -0.011 61.313 61.300 0.041 0.000 1.188 252 I CB 1.664 39.701 38.000 0.062 0.000 1.342 252 I HN 0.691 nan 8.210 nan 0.000 0.457 253 M N 3.720 123.334 119.600 0.024 0.000 2.796 253 M HA 0.345 4.825 4.480 -0.000 0.000 0.303 253 M C -0.702 175.629 176.300 0.053 0.000 1.240 253 M CA -0.738 54.546 55.300 -0.027 0.000 0.831 253 M CB 1.725 34.264 32.600 -0.103 0.000 1.750 253 M HN 0.381 nan 8.290 nan 0.000 0.484 254 D N 0.071 120.438 120.400 -0.055 0.000 2.390 254 D HA 0.235 4.875 4.640 -0.000 0.000 0.249 254 D C 1.128 177.357 176.300 -0.119 0.000 1.144 254 D CA 0.521 54.474 54.000 -0.078 0.000 0.880 254 D CB 1.207 41.944 40.800 -0.106 0.000 1.182 254 D HN 0.662 nan 8.370 nan 0.000 0.451 255 G N 3.028 111.712 108.800 -0.192 0.000 2.443 255 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.219 255 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.219 255 G C 1.173 175.924 174.900 -0.249 0.000 1.131 255 G CA 0.368 45.349 45.100 -0.198 0.000 0.775 255 G HN 0.521 nan 8.290 nan 0.000 0.547 256 E N -0.138 119.926 120.200 -0.225 0.000 2.190 256 E HA -0.030 4.319 4.350 -0.000 0.000 0.191 256 E C 2.634 179.129 176.600 -0.175 0.000 0.978 256 E CA 1.540 57.791 56.400 -0.248 0.000 0.839 256 E CB 0.078 29.687 29.700 -0.151 0.000 0.787 256 E HN 0.598 nan 8.360 nan 0.000 0.473 257 T N -2.778 111.741 114.554 -0.059 0.000 2.958 257 T HA 0.239 4.589 4.350 -0.000 0.000 0.256 257 T C 1.083 175.906 174.700 0.205 0.000 0.983 257 T CA -0.200 61.960 62.100 0.101 0.000 0.924 257 T CB 0.474 69.484 68.868 0.237 0.000 1.136 257 T HN 0.101 nan 8.240 nan 0.000 0.506 258 L N 0.623 121.854 121.223 0.014 0.000 4.192 258 L HA -0.124 4.216 4.340 -0.000 0.000 0.403 258 L C 0.144 176.745 176.870 -0.448 0.000 1.163 258 L CA 0.247 55.043 54.840 -0.073 0.000 0.937 258 L CB -1.824 40.277 42.059 0.071 0.000 2.134 258 L HN 0.577 nan 8.230 nan 0.000 0.754 259 E N 2.424 122.271 120.200 -0.588 0.000 2.324 259 E HA 0.211 4.561 4.350 -0.000 0.000 0.271 259 E C -2.085 174.089 176.600 -0.710 0.000 1.028 259 E CA -1.651 53.990 56.400 -1.265 0.000 0.890 259 E CB 0.832 30.023 29.700 -0.849 0.000 1.004 259 E HN -0.018 nan 8.360 nan 0.000 0.431 260 P HA -0.079 nan 4.420 nan 0.000 0.261 260 P C -0.337 176.824 177.300 -0.231 0.000 1.183 260 P CA 0.181 63.081 63.100 -0.333 0.000 0.761 260 P CB 0.702 32.243 31.700 -0.265 0.000 0.785 261 K N 1.648 121.968 120.400 -0.133 0.000 2.354 261 K HA 0.204 4.524 4.320 -0.000 0.000 0.210 261 K C 0.429 176.986 176.600 -0.071 0.000 1.184 261 K CA 0.946 57.186 56.287 -0.079 0.000 0.880 261 K CB 0.255 32.748 32.500 -0.012 0.000 1.328 261 K HN 0.436 nan 8.250 nan 0.000 0.466 262 Q N 0.241 120.000 119.800 -0.069 0.000 2.397 262 Q HA 0.518 4.858 4.340 -0.000 0.000 0.275 262 Q C -0.823 175.103 176.000 -0.124 0.000 1.090 262 Q CA -0.417 55.333 55.803 -0.089 0.000 0.809 262 Q CB 2.844 31.537 28.738 -0.075 0.000 1.362 262 Q HN 0.111 nan 8.270 nan 0.000 0.431 263 I N 1.155 121.623 120.570 -0.171 0.000 2.466 263 I HA 0.512 4.682 4.170 -0.000 0.000 0.289 263 I C -0.665 175.244 176.117 -0.346 0.000 1.026 263 I CA -1.020 60.140 61.300 -0.232 0.000 1.078 263 I CB 2.198 40.111 38.000 -0.147 0.000 1.249 263 I HN 0.131 nan 8.210 nan 0.000 0.429 264 V N 4.068 123.607 119.914 -0.626 0.000 2.588 264 V HA 0.352 4.472 4.120 -0.000 0.000 0.304 264 V C 0.052 175.824 176.094 -0.536 0.000 1.042 264 V CA -0.657 61.242 62.300 -0.669 0.000 0.877 264 V CB 1.951 33.139 31.823 -1.058 0.000 0.996 264 V HN 0.790 nan 8.190 nan 0.000 0.425 265 S N 2.335 117.867 115.700 -0.281 0.000 2.545 265 S HA 0.252 4.722 4.470 -0.000 0.000 0.275 265 S C 1.148 175.696 174.600 -0.087 0.000 1.299 265 S CA 0.253 58.355 58.200 -0.164 0.000 1.048 265 S CB 1.063 64.201 63.200 -0.102 0.000 0.938 265 S HN 1.053 nan 8.310 nan 0.000 0.496 266 T N 2.220 116.752 114.554 -0.037 0.000 3.069 266 T HA 0.297 4.647 4.350 -0.000 0.000 0.252 266 T C 0.542 175.248 174.700 0.010 0.000 1.053 266 T CA -0.322 61.793 62.100 0.024 0.000 0.964 266 T CB -0.127 68.780 68.868 0.065 0.000 1.005 266 T HN 0.583 nan 8.240 nan 0.000 0.532 267 R N 1.188 121.696 120.500 0.013 0.000 2.538 267 R HA 0.508 4.848 4.340 -0.000 0.000 0.282 267 R C 0.780 177.148 176.300 0.114 0.000 1.009 267 R CA 0.974 57.105 56.100 0.051 0.000 1.063 267 R CB 0.209 30.593 30.300 0.140 0.000 0.945 267 R HN 0.588 nan 8.270 nan 0.000 0.414 268 G N 1.507 110.349 108.800 0.069 0.000 2.340 268 G HA2 0.214 4.174 3.960 -0.000 0.000 0.299 268 G HA3 0.214 4.174 3.960 -0.000 0.000 0.299 268 G C -1.414 173.547 174.900 0.102 0.000 1.291 268 G CA -1.021 44.171 45.100 0.153 0.000 0.841 268 G HN 0.221 nan 8.290 nan 0.000 0.500 269 M N 1.985 121.656 119.600 0.119 0.000 2.217 269 M HA 0.335 4.815 4.480 -0.000 0.000 0.354 269 M C 1.159 177.471 176.300 0.020 0.000 1.225 269 M CA -0.529 54.822 55.300 0.085 0.000 1.137 269 M CB 0.226 32.873 32.600 0.078 0.000 1.576 269 M HN 0.796 nan 8.290 nan 0.000 0.461 270 T N -1.002 113.556 114.554 0.007 0.000 2.813 270 T HA 0.286 4.635 4.350 -0.000 0.000 0.297 270 T C 1.104 175.787 174.700 -0.029 0.000 1.036 270 T CA -0.812 61.268 62.100 -0.034 0.000 1.044 270 T CB 1.288 70.138 68.868 -0.030 0.000 0.993 270 T HN 0.490 nan 8.240 nan 0.000 0.535 271 V N 1.150 121.034 119.914 -0.050 0.000 2.535 271 V HA -0.041 4.079 4.120 -0.000 0.000 0.246 271 V C 2.166 178.246 176.094 -0.024 0.000 1.045 271 V CA 2.183 64.462 62.300 -0.035 0.000 1.058 271 V CB -0.736 31.060 31.823 -0.045 0.000 0.689 271 V HN 1.052 nan 8.190 nan 0.000 0.461 272 D N 0.198 120.581 120.400 -0.028 0.000 2.087 272 D HA -0.161 4.479 4.640 -0.000 0.000 0.201 272 D C 1.930 178.231 176.300 0.001 0.000 0.980 272 D CA 2.359 56.353 54.000 -0.011 0.000 0.849 272 D CB -1.261 39.535 40.800 -0.006 0.000 1.001 272 D HN 0.535 nan 8.370 nan 0.000 0.452 273 T N -3.664 110.893 114.554 0.004 0.000 3.100 273 T HA 0.073 4.423 4.350 -0.000 0.000 0.253 273 T C 0.676 175.385 174.700 0.015 0.000 1.118 273 T CA 0.074 62.181 62.100 0.013 0.000 1.058 273 T CB -0.482 68.398 68.868 0.019 0.000 0.953 273 T HN 0.301 nan 8.240 nan 0.000 0.515 274 Q N 1.840 121.648 119.800 0.013 0.000 2.452 274 Q HA -0.150 4.190 4.340 -0.000 0.000 0.318 274 Q C -0.376 175.647 176.000 0.038 0.000 1.386 274 Q CA 0.774 56.589 55.803 0.021 0.000 0.872 274 Q CB -2.119 26.629 28.738 0.016 0.000 1.151 274 Q HN 0.900 nan 8.270 nan 0.000 0.417 275 T N -3.593 110.989 114.554 0.047 0.000 2.930 275 T HA 0.515 4.865 4.350 -0.000 0.000 0.290 275 T C -0.658 174.106 174.700 0.108 0.000 1.052 275 T CA -0.919 61.224 62.100 0.072 0.000 1.017 275 T CB 1.354 70.252 68.868 0.049 0.000 1.137 275 T HN 0.247 nan 8.240 nan 0.000 0.511 276 Y N 2.069 122.376 120.300 0.012 0.000 2.402 276 Y HA 0.303 4.853 4.550 -0.000 0.000 0.333 276 Y C 0.214 176.130 175.900 0.026 0.000 1.076 276 Y CA -0.394 57.719 58.100 0.023 0.000 1.299 276 Y CB 0.146 38.610 38.460 0.007 0.000 1.197 276 Y HN 0.770 nan 8.280 nan 0.000 0.517 277 H N 9.144 127.818 119.070 -0.660 0.000 2.541 277 H HA 0.263 4.818 4.556 -0.000 0.000 0.316 277 H C -2.059 172.740 175.328 -0.881 0.000 1.043 277 H CA -2.415 53.290 56.048 -0.571 0.000 1.232 277 H CB 2.111 31.692 29.762 -0.301 0.000 1.406 277 H HN 0.528 nan 8.280 nan 0.000 0.469 278 P HA -0.004 nan 4.420 nan 0.000 0.242 278 P C 0.003 177.361 177.300 0.096 0.000 1.197 278 P CA 0.657 63.606 63.100 -0.251 0.000 0.765 278 P CB 0.582 32.270 31.700 -0.019 0.000 0.936 279 E N 0.437 120.812 120.200 0.291 0.000 3.286 279 E HA 0.257 4.607 4.350 -0.000 0.000 0.309 279 E C -2.835 173.820 176.600 0.091 0.000 1.174 279 E CA -1.647 54.923 56.400 0.282 0.000 0.984 279 E CB 1.030 30.965 29.700 0.393 0.000 1.401 279 E HN 0.007 nan 8.360 nan 0.000 0.388 280 P HA 0.247 nan 4.420 nan 0.000 0.262 280 P C -0.869 176.360 177.300 -0.118 0.000 1.620 280 P CA -0.418 62.563 63.100 -0.199 0.000 1.089 280 P CB 0.098 31.692 31.700 -0.176 0.000 1.601 281 R N 1.429 121.832 120.500 -0.161 0.000 2.583 281 R HA 0.149 4.489 4.340 -0.000 0.000 0.274 281 R C 0.051 176.307 176.300 -0.072 0.000 0.998 281 R CA -0.159 55.832 56.100 -0.183 0.000 1.081 281 R CB 0.137 30.067 30.300 -0.617 0.000 0.940 281 R HN 0.194 nan 8.270 nan 0.000 0.413 282 V N 3.534 123.498 119.914 0.083 0.000 2.461 282 V HA 0.229 4.349 4.120 -0.000 0.000 0.275 282 V C 0.789 176.991 176.094 0.179 0.000 1.047 282 V CA 0.265 62.627 62.300 0.102 0.000 0.955 282 V CB 0.836 32.727 31.823 0.114 0.000 0.988 282 V HN 1.014 nan 8.190 nan 0.000 0.471 283 A N 5.093 127.967 122.820 0.090 0.000 3.563 283 A HA 0.860 5.180 4.320 -0.000 0.000 0.195 283 A C 0.981 178.548 177.584 -0.028 0.000 1.891 283 A CA 0.353 52.438 52.037 0.080 0.000 1.864 283 A CB -0.488 18.542 19.000 0.050 0.000 1.323 283 A HN 1.020 nan 8.150 nan 0.000 0.390 284 A N -0.420 122.368 122.820 -0.053 0.000 2.388 284 A HA 0.581 4.901 4.320 -0.000 0.000 0.257 284 A C -0.407 177.107 177.584 -0.117 0.000 1.095 284 A CA 0.078 52.077 52.037 -0.063 0.000 0.791 284 A CB -0.353 18.659 19.000 0.021 0.000 1.029 284 A HN 0.489 nan 8.150 nan 0.000 0.489 285 I N 2.064 122.521 120.570 -0.189 0.000 2.582 285 I HA 0.513 4.683 4.170 -0.000 0.000 0.292 285 I C -0.639 175.281 176.117 -0.327 0.000 1.066 285 I CA -0.297 60.829 61.300 -0.290 0.000 1.053 285 I CB 1.899 39.715 38.000 -0.308 0.000 1.241 285 I HN 0.671 nan 8.210 nan 0.000 0.421 286 I N 4.316 124.614 120.570 -0.455 0.000 2.686 286 I HA 0.705 4.875 4.170 -0.000 0.000 0.295 286 I C -0.616 175.359 176.117 -0.237 0.000 1.114 286 I CA -0.484 60.538 61.300 -0.463 0.000 1.038 286 I CB 1.911 39.324 38.000 -0.978 0.000 1.238 286 I HN 0.693 nan 8.210 nan 0.000 0.420 287 A N 4.775 127.589 122.820 -0.011 0.000 2.331 287 A HA 0.553 4.873 4.320 -0.000 0.000 0.283 287 A C -0.185 177.452 177.584 0.088 0.000 1.142 287 A CA -0.259 51.849 52.037 0.119 0.000 0.812 287 A CB 0.990 20.082 19.000 0.153 0.000 1.074 287 A HN 0.686 nan 8.150 nan 0.000 0.497 288 S N 0.387 116.105 115.700 0.030 0.000 2.545 288 S HA 0.276 4.746 4.470 -0.000 0.000 0.275 288 S C 0.538 175.096 174.600 -0.070 0.000 1.299 288 S CA -0.235 58.020 58.200 0.092 0.000 1.048 288 S CB 0.078 63.266 63.200 -0.019 0.000 0.938 288 S HN 0.724 nan 8.310 nan 0.000 0.496 289 H N 1.934 121.051 119.070 0.079 0.000 2.592 289 H HA 0.284 4.840 4.556 -0.000 0.000 0.265 289 H C 1.504 176.908 175.328 0.126 0.000 0.955 289 H CA 0.092 56.186 56.048 0.077 0.000 1.175 289 H CB 0.492 30.179 29.762 -0.125 0.000 1.433 289 H HN 0.546 nan 8.280 nan 0.000 0.537 290 E N 0.019 120.237 120.200 0.031 0.000 2.140 290 E HA 0.055 4.405 4.350 -0.000 0.000 0.191 290 E C 0.083 176.343 176.600 -0.568 0.000 0.973 290 E CA 0.765 57.032 56.400 -0.221 0.000 0.829 290 E CB 0.548 30.018 29.700 -0.384 0.000 0.781 290 E HN 0.525 nan 8.360 nan 0.000 0.466 291 H N -0.892 117.935 119.070 -0.406 0.000 2.946 291 H HA 0.235 4.791 4.556 -0.000 0.000 0.365 291 H C -2.350 172.127 175.328 -1.418 0.000 1.197 291 H CA -2.094 53.369 56.048 -0.976 0.000 1.131 291 H CB 1.880 31.311 29.762 -0.551 0.000 1.849 291 H HN -0.174 nan 8.280 nan 0.000 0.555 292 P HA 0.159 nan 4.420 nan 0.000 0.241 292 P C -0.564 175.651 177.300 -1.809 0.000 1.760 292 P CA 0.317 62.439 63.100 -1.630 0.000 1.081 292 P CB 0.059 30.936 31.700 -1.372 0.000 1.975 293 E N 0.571 120.035 120.200 -1.227 0.000 2.433 293 E HA 0.602 4.951 4.350 -0.000 0.000 0.273 293 E C -1.185 175.116 176.600 -0.498 0.000 0.950 293 E CA -0.709 55.195 56.400 -0.826 0.000 0.796 293 E CB 1.396 30.828 29.700 -0.446 0.000 1.330 293 E HN 0.019 nan 8.360 nan 0.000 0.455 294 F N 1.202 121.057 119.950 -0.158 0.000 2.482 294 F HA 0.471 4.998 4.527 -0.000 0.000 0.331 294 F C -0.246 175.399 175.800 -0.258 0.000 1.115 294 F CA -0.737 57.174 58.000 -0.148 0.000 0.955 294 F CB 1.096 40.019 39.000 -0.128 0.000 1.136 294 F HN 0.219 nan 8.300 nan 0.000 0.452 295 I N 4.825 125.325 120.570 -0.117 0.000 2.306 295 I HA 0.321 4.491 4.170 -0.000 0.000 0.288 295 I C -0.766 175.145 176.117 -0.342 0.000 1.036 295 I CA -0.662 60.471 61.300 -0.278 0.000 1.221 295 I CB 0.851 38.574 38.000 -0.461 0.000 1.385 295 I HN 0.148 nan 8.210 nan 0.000 0.472 296 V N 5.903 125.642 119.914 -0.291 0.000 2.472 296 V HA 0.325 4.445 4.120 -0.000 0.000 0.290 296 V C 0.060 176.055 176.094 -0.165 0.000 1.037 296 V CA -0.751 61.368 62.300 -0.301 0.000 0.908 296 V CB 1.693 33.227 31.823 -0.483 0.000 0.985 296 V HN 0.589 nan 8.190 nan 0.000 0.454 297 N N 2.543 121.182 118.700 -0.103 0.000 2.425 297 N HA 0.462 5.202 4.740 -0.000 0.000 0.268 297 N C -0.812 174.680 175.510 -0.030 0.000 0.991 297 N CA -0.229 52.809 53.050 -0.020 0.000 0.931 297 N CB 1.829 40.340 38.487 0.040 0.000 1.130 297 N HN 0.435 nan 8.380 nan 0.000 0.493 298 V N 3.606 123.499 119.914 -0.036 0.000 2.311 298 V HA 0.194 4.314 4.120 -0.000 0.000 0.275 298 V C 1.563 177.605 176.094 -0.086 0.000 1.022 298 V CA -0.733 61.536 62.300 -0.051 0.000 0.830 298 V CB 1.133 32.927 31.823 -0.047 0.000 1.012 298 V HN 0.657 nan 8.190 nan 0.000 0.452 299 K N 3.699 124.045 120.400 -0.090 0.000 1.980 299 K HA -0.244 4.076 4.320 -0.000 0.000 0.229 299 K C 1.763 178.187 176.600 -0.294 0.000 1.026 299 K CA 2.539 58.754 56.287 -0.120 0.000 1.055 299 K CB 0.011 32.459 32.500 -0.086 0.000 0.741 299 K HN 0.716 nan 8.250 nan 0.000 0.448 300 E N -0.247 119.691 120.200 -0.436 0.000 2.147 300 E HA -0.200 4.150 4.350 -0.000 0.000 0.199 300 E C 1.899 178.161 176.600 -0.563 0.000 1.005 300 E CA 2.284 58.262 56.400 -0.703 0.000 0.810 300 E CB -0.389 28.699 29.700 -1.019 0.000 0.736 300 E HN 0.704 nan 8.360 nan 0.000 0.460 301 T N -3.324 111.002 114.554 -0.381 0.000 3.067 301 T HA 0.172 4.522 4.350 -0.000 0.000 0.261 301 T C 1.493 176.083 174.700 -0.183 0.000 1.110 301 T CA 0.310 62.271 62.100 -0.232 0.000 1.113 301 T CB -0.085 68.696 68.868 -0.146 0.000 0.917 301 T HN 0.301 nan 8.240 nan 0.000 0.499 302 G N 1.124 109.806 108.800 -0.197 0.000 2.333 302 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.296 302 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.296 302 G C -0.317 174.535 174.900 -0.081 0.000 1.059 302 G CA -0.026 44.994 45.100 -0.133 0.000 1.050 302 G HN 0.665 nan 8.290 nan 0.000 0.508 303 K N -0.943 119.415 120.400 -0.070 0.000 2.316 303 K HA 0.725 5.044 4.320 -0.000 0.000 0.251 303 K C -0.159 176.421 176.600 -0.033 0.000 0.934 303 K CA -0.674 55.586 56.287 -0.045 0.000 0.802 303 K CB 2.450 34.927 32.500 -0.038 0.000 1.171 303 K HN 0.138 nan 8.250 nan 0.000 0.426 304 V N 4.996 124.895 119.914 -0.025 0.000 2.357 304 V HA 0.411 4.531 4.120 -0.000 0.000 0.284 304 V C -0.668 175.401 176.094 -0.042 0.000 1.018 304 V CA -0.833 61.456 62.300 -0.019 0.000 0.841 304 V CB 0.811 32.645 31.823 0.019 0.000 0.991 304 V HN 0.546 nan 8.190 nan 0.000 0.437 305 L N 5.777 126.956 121.223 -0.073 0.000 2.307 305 L HA 0.569 4.909 4.340 -0.000 0.000 0.282 305 L C -0.443 176.359 176.870 -0.114 0.000 1.051 305 L CA -0.524 54.269 54.840 -0.078 0.000 0.804 305 L CB 1.371 43.389 42.059 -0.069 0.000 1.197 305 L HN 0.369 nan 8.230 nan 0.000 0.431 306 L N 4.457 125.622 121.223 -0.096 0.000 2.277 306 L HA 0.386 4.725 4.340 -0.000 0.000 0.284 306 L C -0.558 176.243 176.870 -0.115 0.000 1.028 306 L CA -0.605 54.164 54.840 -0.119 0.000 0.835 306 L CB 1.577 43.563 42.059 -0.122 0.000 1.215 306 L HN 0.340 nan 8.230 nan 0.000 0.425 307 V N 3.184 123.034 119.914 -0.106 0.000 2.348 307 V HA 0.166 4.286 4.120 -0.000 0.000 0.270 307 V C 0.535 176.554 176.094 -0.126 0.000 1.037 307 V CA -0.592 61.678 62.300 -0.049 0.000 0.872 307 V CB 1.199 33.030 31.823 0.013 0.000 1.002 307 V HN 0.666 nan 8.190 nan 0.000 0.464 308 N N 4.100 122.688 118.700 -0.186 0.000 2.430 308 N HA 0.095 4.835 4.740 -0.000 0.000 0.265 308 N C 0.167 175.510 175.510 -0.279 0.000 1.100 308 N CA -0.279 52.564 53.050 -0.344 0.000 0.961 308 N CB 1.141 39.452 38.487 -0.293 0.000 1.075 308 N HN 0.744 nan 8.380 nan 0.000 0.478 309 Y N 2.547 122.649 120.300 -0.329 0.000 2.468 309 Y HA 0.319 4.868 4.550 -0.001 0.000 0.268 309 Y C 1.830 177.581 175.900 -0.248 0.000 1.177 309 Y CA -0.428 57.448 58.100 -0.374 0.000 1.265 309 Y CB -0.167 37.973 38.460 -0.534 0.000 1.103 309 Y HN 0.425 nan 8.280 nan 0.000 0.522 310 K N 0.870 121.186 120.400 -0.139 0.000 2.211 310 K HA -0.179 4.140 4.320 -0.000 0.000 0.204 310 K C -0.410 176.258 176.600 0.113 0.000 1.047 310 K CA 1.634 57.948 56.287 0.045 0.000 0.935 310 K CB 0.065 32.532 32.500 -0.054 0.000 0.728 310 K HN 0.361 nan 8.250 nan 0.000 0.452 311 D N -0.325 120.091 120.400 0.027 0.000 2.319 311 D HA 0.040 4.680 4.640 -0.000 0.000 0.237 311 D C 0.370 176.658 176.300 -0.019 0.000 1.353 311 D CA -0.421 53.598 54.000 0.030 0.000 0.992 311 D CB 0.681 41.489 40.800 0.014 0.000 1.368 311 D HN 0.187 nan 8.370 nan 0.000 0.564 312 I N -0.522 120.025 120.570 -0.039 0.000 3.564 312 I HA 0.174 4.344 4.170 -0.000 0.000 0.294 312 I C 0.814 176.907 176.117 -0.040 0.000 1.289 312 I CA 0.197 61.445 61.300 -0.088 0.000 1.325 312 I CB 0.271 38.148 38.000 -0.204 0.000 1.039 312 I HN 0.033 nan 8.210 nan 0.000 0.474 313 D N 2.008 122.402 120.400 -0.011 0.000 2.149 313 D HA -0.057 4.583 4.640 -0.000 0.000 0.201 313 D C 0.205 176.494 176.300 -0.018 0.000 0.972 313 D CA 1.110 55.105 54.000 -0.008 0.000 0.835 313 D CB -0.065 40.739 40.800 0.007 0.000 0.966 313 D HN 0.588 nan 8.370 nan 0.000 0.476 314 N N 0.747 119.436 118.700 -0.019 0.000 2.776 314 N HA 0.197 4.937 4.740 -0.000 0.000 0.245 314 N C -1.002 174.489 175.510 -0.031 0.000 1.121 314 N CA -0.478 52.557 53.050 -0.024 0.000 0.852 314 N CB 1.468 39.944 38.487 -0.019 0.000 1.142 314 N HN -0.085 nan 8.380 nan 0.000 0.514 315 L N 1.624 122.828 121.223 -0.032 0.000 2.513 315 L HA 0.123 4.463 4.340 -0.000 0.000 0.272 315 L C 0.115 176.967 176.870 -0.030 0.000 1.187 315 L CA 1.006 55.829 54.840 -0.028 0.000 0.895 315 L CB 0.526 42.578 42.059 -0.012 0.000 1.147 315 L HN 0.356 nan 8.230 nan 0.000 0.483 316 T N 4.567 119.094 114.554 -0.045 0.000 2.770 316 T HA 0.589 4.939 4.350 -0.000 0.000 0.283 316 T C -0.715 173.954 174.700 -0.052 0.000 0.988 316 T CA -0.379 61.688 62.100 -0.055 0.000 0.957 316 T CB 1.022 69.841 68.868 -0.083 0.000 0.930 316 T HN 0.285 nan 8.240 nan 0.000 0.443 317 V N 3.781 123.676 119.914 -0.031 0.000 2.531 317 V HA 0.465 4.584 4.120 -0.000 0.000 0.301 317 V C 0.140 176.212 176.094 -0.037 0.000 1.034 317 V CA -0.798 61.491 62.300 -0.018 0.000 0.865 317 V CB 2.186 34.035 31.823 0.043 0.000 0.995 317 V HN 0.887 nan 8.190 nan 0.000 0.424 318 T N 3.146 117.666 114.554 -0.057 0.000 2.749 318 T HA 0.277 4.626 4.350 -0.000 0.000 0.287 318 T C 0.068 174.742 174.700 -0.044 0.000 0.970 318 T CA -0.072 61.993 62.100 -0.059 0.000 0.980 318 T CB 1.201 70.017 68.868 -0.086 0.000 0.924 318 T HN 0.643 nan 8.240 nan 0.000 0.456 319 S N 4.425 120.107 115.700 -0.030 0.000 2.410 319 S HA 0.514 4.983 4.470 -0.000 0.000 0.304 319 S C -0.132 174.453 174.600 -0.025 0.000 1.095 319 S CA -0.780 57.407 58.200 -0.022 0.000 1.089 319 S CB -0.340 62.854 63.200 -0.010 0.000 0.968 319 S HN 0.564 nan 8.310 nan 0.000 0.480 320 I N 4.503 125.057 120.570 -0.027 0.000 2.336 320 I HA 0.398 4.568 4.170 -0.000 0.000 0.292 320 I C 1.062 177.164 176.117 -0.025 0.000 0.991 320 I CA -0.746 60.539 61.300 -0.025 0.000 1.227 320 I CB 1.517 39.503 38.000 -0.023 0.000 1.366 320 I HN 0.684 nan 8.210 nan 0.000 0.466 321 G N 3.715 112.500 108.800 -0.025 0.000 2.372 321 G HA2 0.546 4.506 3.960 -0.000 0.000 0.283 321 G HA3 0.546 4.506 3.960 -0.000 0.000 0.283 321 G C 0.105 174.986 174.900 -0.033 0.000 1.177 321 G CA 0.120 45.203 45.100 -0.029 0.000 0.842 321 G HN 0.793 nan 8.290 nan 0.000 0.503 322 A N 1.966 124.763 122.820 -0.038 0.000 1.962 322 A HA 0.945 5.265 4.320 -0.000 0.000 0.202 322 A C 0.732 178.294 177.584 -0.036 0.000 2.303 322 A CA 0.898 52.910 52.037 -0.042 0.000 1.341 322 A CB 0.079 19.050 19.000 -0.048 0.000 1.044 322 A HN 2.072 nan 8.150 nan 0.000 0.583 323 A N -0.911 121.888 122.820 -0.035 0.000 2.589 323 A HA 0.676 4.996 4.320 -0.000 0.000 0.296 323 A C -3.217 174.350 177.584 -0.029 0.000 1.062 323 A CA -1.225 50.801 52.037 -0.018 0.000 0.686 323 A CB 0.359 19.361 19.000 0.003 0.000 1.282 323 A HN 0.149 nan 8.150 nan 0.000 0.404 324 P HA 0.396 nan 4.420 nan 0.000 0.267 324 P C -0.521 176.770 177.300 -0.015 0.000 1.200 324 P CA 0.810 63.810 63.100 -0.166 0.000 0.772 324 P CB -0.160 31.446 31.700 -0.158 0.000 0.855 325 F N -1.750 118.172 119.950 -0.046 0.000 3.056 325 F HA -0.193 4.334 4.527 0.000 0.000 0.301 325 F C 0.184 175.981 175.800 -0.006 0.000 0.907 325 F CA -0.006 57.972 58.000 -0.037 0.000 1.113 325 F CB -2.379 36.597 39.000 -0.039 0.000 1.123 325 F HN 0.175 nan 8.300 nan 0.000 0.661 326 L N 1.004 122.277 121.223 0.083 0.000 2.490 326 L HA 0.151 4.491 4.340 -0.000 0.000 0.274 326 L C 1.444 178.414 176.870 0.166 0.000 1.201 326 L CA 0.493 55.381 54.840 0.081 0.000 0.869 326 L CB 0.621 42.693 42.059 0.022 0.000 1.123 326 L HN 0.468 nan 8.230 nan 0.000 0.484 327 H N 1.024 120.108 119.070 0.024 0.000 5.120 327 H HA 0.150 4.706 4.556 -0.000 0.000 0.090 327 H C -0.698 174.642 175.328 0.020 0.000 1.292 327 H CA -0.139 55.932 56.048 0.039 0.000 0.528 327 H CB 0.917 30.701 29.762 0.038 0.000 1.593 327 H HN 0.788 nan 8.280 nan 0.000 0.138 328 D N 0.111 120.499 120.400 -0.021 0.000 2.487 328 D HA 0.519 5.159 4.640 -0.000 0.000 0.262 328 D C 0.431 176.694 176.300 -0.062 0.000 1.130 328 D CA -0.240 53.705 54.000 -0.092 0.000 1.038 328 D CB 2.218 42.928 40.800 -0.149 0.000 1.142 328 D HN 0.735 nan 8.370 nan 0.000 0.575 329 G N -2.821 105.969 108.800 -0.016 0.000 2.324 329 G HA2 0.582 4.542 3.960 -0.000 0.000 0.293 329 G HA3 0.582 4.542 3.960 -0.000 0.000 0.293 329 G C -0.969 173.985 174.900 0.090 0.000 1.297 329 G CA -0.209 44.848 45.100 -0.073 0.000 0.853 329 G HN 1.023 nan 8.290 nan 0.000 0.535 330 G N -2.105 106.730 108.800 0.057 0.000 2.488 330 G HA2 0.543 4.503 3.960 -0.000 0.000 0.301 330 G HA3 0.543 4.503 3.960 -0.000 0.000 0.301 330 G C -1.285 173.798 174.900 0.305 0.000 1.339 330 G CA -0.754 44.492 45.100 0.243 0.000 0.803 330 G HN 0.724 nan 8.290 nan 0.000 0.482 331 W N 0.975 122.582 121.300 0.513 0.000 2.093 331 W HA 0.390 5.050 4.660 -0.001 0.000 0.352 331 W C 0.944 177.653 176.519 0.317 0.000 1.294 331 W CA -0.323 57.200 57.345 0.296 0.000 1.290 331 W CB 0.716 30.194 29.460 0.031 0.000 1.149 331 W HN 0.617 nan 8.180 nan 0.000 0.606 332 D N -0.620 120.135 120.400 0.590 0.000 2.451 332 D HA 0.019 4.659 4.640 -0.000 0.000 0.259 332 D C 1.334 177.904 176.300 0.451 0.000 1.201 332 D CA 0.171 54.459 54.000 0.480 0.000 1.028 332 D CB 0.673 41.749 40.800 0.460 0.000 1.095 332 D HN 0.406 nan 8.370 nan 0.000 0.539 333 S N -0.182 115.718 115.700 0.333 0.000 2.387 333 S HA -0.262 4.208 4.470 -0.000 0.000 0.230 333 S C 1.914 176.571 174.600 0.094 0.000 1.035 333 S CA 1.825 60.146 58.200 0.202 0.000 1.014 333 S CB -0.947 62.328 63.200 0.125 0.000 0.836 333 S HN 0.630 nan 8.310 nan 0.000 0.466 334 S N 0.426 116.196 115.700 0.117 0.000 2.489 334 S HA 0.008 4.478 4.470 -0.000 0.000 0.228 334 S C 0.566 175.103 174.600 -0.104 0.000 0.995 334 S CA 0.495 58.684 58.200 -0.018 0.000 0.934 334 S CB -1.074 62.165 63.200 0.065 0.000 0.771 334 S HN 0.787 nan 8.310 nan 0.000 0.522 335 H N 0.091 119.025 119.070 -0.227 0.000 2.931 335 H HA -0.118 4.437 4.556 -0.000 0.000 0.290 335 H C 1.114 175.874 175.328 -0.947 0.000 1.264 335 H CA 0.744 56.367 56.048 -0.709 0.000 1.140 335 H CB -1.097 28.127 29.762 -0.897 0.000 1.343 335 H HN 0.556 nan 8.280 nan 0.000 0.403 336 R N 0.027 120.285 120.500 -0.404 0.000 2.383 336 R HA 0.095 4.435 4.340 -0.000 0.000 0.205 336 R C -0.482 175.608 176.300 -0.351 0.000 0.875 336 R CA 0.178 55.964 56.100 -0.523 0.000 1.039 336 R CB 0.820 30.764 30.300 -0.594 0.000 1.267 336 R HN 0.108 nan 8.270 nan 0.000 0.635 337 Y N 0.365 120.853 120.300 0.313 0.000 2.331 337 Y HA 0.293 4.843 4.550 0.000 0.000 0.338 337 Y C -0.746 175.430 175.900 0.461 0.000 0.976 337 Y CA -1.282 57.004 58.100 0.310 0.000 1.137 337 Y CB 1.118 39.675 38.460 0.161 0.000 1.172 337 Y HN -0.063 nan 8.280 nan 0.000 0.478 338 F N 5.777 125.886 119.950 0.266 0.000 2.405 338 F HA 0.352 4.879 4.527 0.000 0.000 0.358 338 F C -0.527 175.139 175.800 -0.222 0.000 1.151 338 F CA -1.680 56.281 58.000 -0.065 0.000 1.161 338 F CB 0.372 39.231 39.000 -0.235 0.000 1.245 338 F HN 0.328 nan 8.300 nan 0.000 0.545 339 M N 6.112 125.291 119.600 -0.702 0.000 2.497 339 M HA 0.138 4.618 4.480 -0.000 0.000 0.336 339 M C 0.233 175.849 176.300 -1.141 0.000 1.378 339 M CA 0.103 54.748 55.300 -1.091 0.000 1.375 339 M CB -0.374 31.047 32.600 -1.966 0.000 1.337 339 M HN 0.542 nan 8.290 nan 0.000 0.461 340 T N 1.915 115.855 114.554 -1.024 0.000 2.925 340 T HA 0.787 5.137 4.350 -0.000 0.000 0.285 340 T C -0.660 173.840 174.700 -0.333 0.000 1.021 340 T CA -0.567 61.067 62.100 -0.777 0.000 1.042 340 T CB 1.348 69.650 68.868 -0.944 0.000 1.037 340 T HN 0.700 nan 8.240 nan 0.000 0.481 341 A N 2.467 125.197 122.820 -0.149 0.000 2.276 341 A HA 0.747 5.066 4.320 -0.000 0.000 0.316 341 A C 0.319 177.913 177.584 0.017 0.000 1.229 341 A CA -0.618 51.401 52.037 -0.030 0.000 0.851 341 A CB 0.594 19.609 19.000 0.024 0.000 1.165 341 A HN 1.112 nan 8.150 nan 0.000 0.513 342 A N 3.392 126.229 122.820 0.029 0.000 3.016 342 A HA 0.374 4.694 4.320 -0.000 0.000 0.303 342 A C 1.060 178.697 177.584 0.088 0.000 1.507 342 A CA -0.286 51.798 52.037 0.078 0.000 1.196 342 A CB -0.952 18.087 19.000 0.065 0.000 1.169 342 A HN 1.011 nan 8.150 nan 0.000 0.544 343 N N 2.116 120.858 118.700 0.071 0.000 2.036 343 N HA -0.323 4.417 4.740 -0.000 0.000 0.199 343 N C 0.855 176.355 175.510 -0.017 0.000 1.036 343 N CA 2.589 55.653 53.050 0.023 0.000 0.870 343 N CB -0.851 37.621 38.487 -0.025 0.000 1.055 343 N HN 0.712 nan 8.380 nan 0.000 0.436 344 N N -0.939 117.703 118.700 -0.097 0.000 2.520 344 N HA 0.038 4.778 4.740 -0.000 0.000 0.185 344 N C 0.441 175.913 175.510 -0.063 0.000 1.068 344 N CA 0.761 53.675 53.050 -0.228 0.000 0.911 344 N CB -0.005 38.026 38.487 -0.759 0.000 0.961 344 N HN 0.245 nan 8.380 nan 0.000 0.446 345 S N 0.443 116.179 115.700 0.061 0.000 2.575 345 S HA 0.074 4.543 4.470 -0.000 0.000 0.215 345 S C 0.085 174.719 174.600 0.057 0.000 0.966 345 S CA -0.299 57.953 58.200 0.087 0.000 0.911 345 S CB 0.163 63.438 63.200 0.125 0.000 0.780 345 S HN 0.303 nan 8.310 nan 0.000 0.514 346 N N 1.868 120.600 118.700 0.052 0.000 2.725 346 N HA -0.151 4.589 4.740 -0.000 0.000 0.251 346 N C -0.643 174.914 175.510 0.078 0.000 1.031 346 N CA 1.140 54.233 53.050 0.070 0.000 0.720 346 N CB -0.981 37.534 38.487 0.047 0.000 0.930 346 N HN 0.553 nan 8.380 nan 0.000 0.543 347 K N -0.937 119.507 120.400 0.073 0.000 2.509 347 K HA 0.669 4.989 4.320 -0.000 0.000 0.266 347 K C -0.768 175.859 176.600 0.045 0.000 0.987 347 K CA -0.748 55.575 56.287 0.059 0.000 0.868 347 K CB 2.517 35.038 32.500 0.035 0.000 1.421 347 K HN -0.122 nan 8.250 nan 0.000 0.444 348 V N 1.505 121.435 119.914 0.027 0.000 2.444 348 V HA 0.520 4.639 4.120 -0.000 0.000 0.294 348 V C -0.757 175.271 176.094 -0.110 0.000 1.022 348 V CA -0.677 61.608 62.300 -0.025 0.000 0.850 348 V CB 1.488 33.341 31.823 0.049 0.000 0.992 348 V HN 0.908 nan 8.190 nan 0.000 0.426 349 A N 5.106 127.818 122.820 -0.180 0.000 2.310 349 A HA 0.803 5.123 4.320 -0.000 0.000 0.299 349 A C -0.617 176.770 177.584 -0.327 0.000 1.147 349 A CA -0.427 51.484 52.037 -0.210 0.000 0.818 349 A CB 1.187 20.090 19.000 -0.162 0.000 1.096 349 A HN 0.684 nan 8.150 nan 0.000 0.495 350 V N 4.296 124.003 119.914 -0.344 0.000 2.378 350 V HA 0.292 4.412 4.120 -0.000 0.000 0.288 350 V C -0.575 175.356 176.094 -0.271 0.000 1.016 350 V CA -0.429 61.606 62.300 -0.442 0.000 0.840 350 V CB 1.158 32.479 31.823 -0.836 0.000 0.994 350 V HN 0.675 nan 8.190 nan 0.000 0.431 351 I N 3.701 124.213 120.570 -0.098 0.000 2.307 351 I HA 0.305 4.475 4.170 -0.000 0.000 0.289 351 I C 0.135 176.345 176.117 0.156 0.000 1.021 351 I CA -0.330 61.001 61.300 0.051 0.000 1.224 351 I CB 1.372 39.473 38.000 0.167 0.000 1.376 351 I HN 0.570 nan 8.210 nan 0.000 0.470 352 D N 4.720 125.199 120.400 0.131 0.000 2.344 352 D HA 0.032 4.672 4.640 -0.000 0.000 0.253 352 D C 1.270 177.604 176.300 0.056 0.000 1.255 352 D CA 0.117 54.194 54.000 0.129 0.000 0.894 352 D CB 1.069 41.983 40.800 0.191 0.000 1.067 352 D HN 0.579 nan 8.370 nan 0.000 0.492 353 S N 3.342 119.064 115.700 0.035 0.000 2.489 353 S HA -0.109 4.361 4.470 -0.000 0.000 0.228 353 S C 1.628 176.278 174.600 0.083 0.000 0.995 353 S CA 0.483 58.739 58.200 0.092 0.000 0.934 353 S CB 0.210 63.531 63.200 0.202 0.000 0.771 353 S HN 0.489 nan 8.310 nan 0.000 0.522 354 K N 1.227 121.624 120.400 -0.005 0.000 2.020 354 K HA -0.014 4.306 4.320 -0.000 0.000 0.206 354 K C 1.115 177.817 176.600 0.170 0.000 1.038 354 K CA 1.449 57.768 56.287 0.053 0.000 0.947 354 K CB -0.202 32.263 32.500 -0.058 0.000 0.744 354 K HN 0.151 nan 8.250 nan 0.000 0.442 355 D N 0.649 121.099 120.400 0.083 0.000 2.312 355 D HA -0.033 4.607 4.640 -0.000 0.000 0.211 355 D C -0.380 175.939 176.300 0.032 0.000 0.964 355 D CA 0.519 54.560 54.000 0.069 0.000 0.877 355 D CB 0.046 40.892 40.800 0.078 0.000 0.924 355 D HN 0.205 nan 8.370 nan 0.000 0.515 356 R N 0.097 120.616 120.500 0.031 0.000 3.144 356 R HA -0.210 4.130 4.340 -0.000 0.000 0.255 356 R C -0.244 176.052 176.300 -0.006 0.000 0.949 356 R CA 0.487 56.583 56.100 -0.007 0.000 0.649 356 R CB -1.900 28.355 30.300 -0.076 0.000 1.229 356 R HN 0.389 nan 8.270 nan 0.000 0.440 357 R N -1.073 119.436 120.500 0.014 0.000 2.716 357 R HA 0.473 4.813 4.340 -0.000 0.000 0.271 357 R C -1.374 174.924 176.300 -0.004 0.000 1.028 357 R CA -1.325 54.778 56.100 0.005 0.000 0.883 357 R CB 0.751 31.059 30.300 0.015 0.000 1.250 357 R HN -0.004 nan 8.270 nan 0.000 0.465 358 L N 2.165 123.372 121.223 -0.026 0.000 2.342 358 L HA 0.259 4.599 4.340 -0.000 0.000 0.285 358 L C 0.466 177.279 176.870 -0.094 0.000 1.095 358 L CA 0.577 55.378 54.840 -0.065 0.000 0.843 358 L CB 1.123 43.146 42.059 -0.060 0.000 1.201 358 L HN 0.825 nan 8.230 nan 0.000 0.445 359 S N 3.449 119.045 115.700 -0.173 0.000 2.423 359 S HA 0.367 4.837 4.470 -0.000 0.000 0.231 359 S C 0.594 174.995 174.600 -0.331 0.000 1.014 359 S CA 0.765 58.807 58.200 -0.264 0.000 0.965 359 S CB -0.179 62.699 63.200 -0.536 0.000 0.785 359 S HN 0.914 nan 8.310 nan 0.000 0.495 360 A N -0.376 122.237 122.820 -0.345 0.000 2.489 360 A HA 0.602 4.922 4.320 -0.000 0.000 0.293 360 A C -2.159 175.323 177.584 -0.171 0.000 1.004 360 A CA -0.793 51.117 52.037 -0.211 0.000 0.626 360 A CB 0.345 19.230 19.000 -0.191 0.000 1.345 360 A HN 0.150 nan 8.150 nan 0.000 0.447 361 L N 1.318 122.496 121.223 -0.076 0.000 2.372 361 L HA 0.526 4.866 4.340 -0.000 0.000 0.273 361 L C -0.937 175.928 176.870 -0.007 0.000 0.989 361 L CA -0.877 53.931 54.840 -0.052 0.000 0.841 361 L CB 1.791 43.832 42.059 -0.029 0.000 1.225 361 L HN 0.547 nan 8.230 nan 0.000 0.414 362 V N 1.640 121.556 119.914 0.002 0.000 2.407 362 V HA 0.249 4.368 4.120 -0.000 0.000 0.278 362 V C -0.046 176.083 176.094 0.058 0.000 1.037 362 V CA -0.806 61.524 62.300 0.051 0.000 0.900 362 V CB 1.493 33.368 31.823 0.087 0.000 0.983 362 V HN 0.531 nan 8.190 nan 0.000 0.459 363 D N 3.451 123.885 120.400 0.057 0.000 2.348 363 D HA 0.419 5.059 4.640 -0.000 0.000 0.253 363 D C 0.238 176.582 176.300 0.074 0.000 1.161 363 D CA 0.322 54.355 54.000 0.056 0.000 0.876 363 D CB 1.872 42.696 40.800 0.040 0.000 1.160 363 D HN 0.520 nan 8.370 nan 0.000 0.459 364 V N 0.096 120.068 119.914 0.095 0.000 3.426 364 V HA 0.860 4.980 4.120 -0.000 0.000 0.305 364 V C 0.783 176.913 176.094 0.061 0.000 1.350 364 V CA -0.685 61.698 62.300 0.138 0.000 1.013 364 V CB 0.542 32.537 31.823 0.286 0.000 1.191 364 V HN 0.450 nan 8.190 nan 0.000 0.479 365 G N -0.415 108.363 108.800 -0.036 0.000 2.516 365 G HA2 0.439 4.399 3.960 -0.000 0.000 0.276 365 G HA3 0.439 4.399 3.960 -0.000 0.000 0.276 365 G C -0.612 174.195 174.900 -0.155 0.000 1.390 365 G CA -0.809 44.031 45.100 -0.434 0.000 1.050 365 G HN 0.805 nan 8.290 nan 0.000 0.519 366 K N 0.869 121.167 120.400 -0.171 0.000 2.316 366 K HA 0.413 4.733 4.320 -0.000 0.000 0.289 366 K C -0.006 176.663 176.600 0.114 0.000 1.070 366 K CA 0.312 56.593 56.287 -0.011 0.000 0.928 366 K CB 0.572 33.050 32.500 -0.035 0.000 1.039 366 K HN 0.476 nan 8.250 nan 0.000 0.480 367 T N 3.089 117.712 114.554 0.115 0.000 3.318 367 T HA -0.101 4.249 4.350 -0.000 0.000 0.428 367 T C -2.304 172.502 174.700 0.177 0.000 0.768 367 T CA -0.438 61.722 62.100 0.101 0.000 2.218 367 T CB -1.584 67.300 68.868 0.026 0.000 1.689 367 T HN 0.508 nan 8.240 nan 0.000 0.671 368 P HA 0.110 nan 4.420 nan 0.000 0.268 368 P C -0.264 177.020 177.300 -0.028 0.000 1.204 368 P CA 0.261 63.315 63.100 -0.077 0.000 0.768 368 P CB 0.563 32.242 31.700 -0.035 0.000 0.842 369 H N 5.705 124.664 119.070 -0.185 0.000 2.808 369 H HA 0.218 4.774 4.556 -0.000 0.000 0.268 369 H C -2.185 173.057 175.328 -0.143 0.000 1.306 369 H CA -1.823 54.160 56.048 -0.108 0.000 1.565 369 H CB 1.681 31.372 29.762 -0.119 0.000 1.632 369 H HN 0.233 nan 8.280 nan 0.000 0.525 370 P HA 0.108 nan 4.420 nan 0.000 0.245 370 P C 1.022 178.318 177.300 -0.006 0.000 1.203 370 P CA 1.306 64.352 63.100 -0.090 0.000 0.792 370 P CB 1.226 32.941 31.700 0.025 0.000 0.997 371 G N 2.060 110.794 108.800 -0.109 0.000 2.561 371 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.289 371 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.289 371 G C 0.922 175.887 174.900 0.108 0.000 1.169 371 G CA 0.393 45.585 45.100 0.154 0.000 0.980 371 G HN 0.296 nan 8.290 nan 0.000 0.550 372 R N 1.597 122.129 120.500 0.054 0.000 2.317 372 R HA 0.451 4.791 4.340 -0.000 0.000 0.208 372 R C 1.312 177.637 176.300 0.041 0.000 0.914 372 R CA 1.104 57.118 56.100 -0.142 0.000 1.060 372 R CB -0.018 29.863 30.300 -0.698 0.000 1.015 372 R HN 2.045 nan 8.270 nan 0.000 0.498 373 G N 0.250 109.099 108.800 0.081 0.000 2.757 373 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.638 373 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.638 373 G C -1.095 173.789 174.900 -0.026 0.000 1.344 373 G CA -0.549 44.489 45.100 -0.104 0.000 0.855 373 G HN 0.325 nan 8.290 nan 0.000 0.537 374 A N 0.574 123.246 122.820 -0.247 0.000 2.357 374 A HA 0.754 5.074 4.320 -0.000 0.000 0.295 374 A C -0.265 177.406 177.584 0.144 0.000 1.121 374 A CA -0.598 51.502 52.037 0.106 0.000 0.742 374 A CB 1.049 20.148 19.000 0.165 0.000 1.181 374 A HN 0.775 nan 8.150 nan 0.000 0.454 375 N N 1.888 120.783 118.700 0.325 0.000 2.421 375 N HA 0.785 5.525 4.740 -0.000 0.000 0.285 375 N C -1.094 174.624 175.510 0.347 0.000 1.027 375 N CA 0.200 53.424 53.050 0.290 0.000 0.918 375 N CB 1.707 40.398 38.487 0.340 0.000 1.152 375 N HN 0.650 nan 8.380 nan 0.000 0.485 376 F N -1.882 118.146 119.950 0.130 0.000 2.713 376 F HA 0.470 4.997 4.527 -0.000 0.000 0.311 376 F C -1.215 174.642 175.800 0.094 0.000 1.141 376 F CA -1.222 56.835 58.000 0.095 0.000 0.939 376 F CB 0.526 39.575 39.000 0.083 0.000 1.325 376 F HN -0.017 nan 8.300 nan 0.000 0.453 377 V N 2.673 122.744 119.914 0.262 0.000 2.432 377 V HA 0.202 4.322 4.120 -0.000 0.000 0.271 377 V C 0.023 176.255 176.094 0.231 0.000 1.046 377 V CA -0.294 62.093 62.300 0.145 0.000 0.945 377 V CB 0.423 32.312 31.823 0.109 0.000 0.992 377 V HN 0.846 nan 8.190 nan 0.000 0.471 378 H N 8.504 127.611 119.070 0.062 0.000 2.525 378 H HA 0.257 4.813 4.556 -0.000 0.000 0.339 378 H C -1.529 173.819 175.328 0.034 0.000 1.109 378 H CA -1.794 54.320 56.048 0.109 0.000 1.352 378 H CB 2.364 32.169 29.762 0.071 0.000 1.461 378 H HN 0.383 nan 8.280 nan 0.000 0.533 379 P HA -0.170 nan 4.420 nan 0.000 0.215 379 P C 1.198 178.514 177.300 0.026 0.000 1.157 379 P CA 1.519 64.572 63.100 -0.079 0.000 0.868 379 P CB 0.526 32.124 31.700 -0.171 0.000 0.788 380 K N -1.286 119.166 120.400 0.087 0.000 2.166 380 K HA -0.046 4.274 4.320 -0.000 0.000 0.201 380 K C 1.597 178.039 176.600 -0.263 0.000 1.052 380 K CA 0.660 56.849 56.287 -0.164 0.000 0.969 380 K CB -0.015 32.185 32.500 -0.500 0.000 0.761 380 K HN 0.032 nan 8.250 nan 0.000 0.459 381 Y N 0.227 120.517 120.300 -0.016 0.000 2.458 381 Y HA 0.316 4.866 4.550 -0.000 0.000 0.256 381 Y C 1.048 176.821 175.900 -0.211 0.000 1.159 381 Y CA 0.042 57.890 58.100 -0.420 0.000 1.261 381 Y CB 0.503 38.430 38.460 -0.888 0.000 1.119 381 Y HN 0.291 nan 8.280 nan 0.000 0.524 382 G N 0.751 109.542 108.800 -0.016 0.000 2.593 382 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.237 382 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.237 382 G C -2.724 172.073 174.900 -0.172 0.000 1.312 382 G CA -1.174 43.759 45.100 -0.278 0.000 0.896 382 G HN 0.038 nan 8.290 nan 0.000 0.574 383 P HA 0.380 nan 4.420 nan 0.000 0.261 383 P C 0.271 177.501 177.300 -0.117 0.000 1.203 383 P CA 0.573 63.610 63.100 -0.104 0.000 0.767 383 P CB 0.683 32.349 31.700 -0.058 0.000 0.785 384 V N 1.486 121.295 119.914 -0.175 0.000 3.046 384 V HA 0.744 4.864 4.120 -0.000 0.000 0.316 384 V C -1.349 174.685 176.094 -0.100 0.000 1.104 384 V CA -1.283 60.905 62.300 -0.187 0.000 1.006 384 V CB 2.415 34.022 31.823 -0.360 0.000 1.058 384 V HN 0.500 nan 8.190 nan 0.000 0.440 385 W N 2.376 123.592 121.300 -0.139 0.000 2.702 385 W HA 0.808 5.468 4.660 0.000 0.000 0.331 385 W C -0.257 176.255 176.519 -0.012 0.000 1.049 385 W CA 0.141 57.480 57.345 -0.009 0.000 1.230 385 W CB 2.128 31.652 29.460 0.107 0.000 1.408 385 W HN 1.064 nan 8.180 nan 0.000 0.492 386 S N 3.302 118.628 115.700 -0.623 0.000 2.599 386 S HA 0.864 5.334 4.470 -0.000 0.000 0.294 386 S C -0.883 173.200 174.600 -0.861 0.000 1.094 386 S CA -0.773 57.116 58.200 -0.519 0.000 0.931 386 S CB 2.057 65.191 63.200 -0.110 0.000 1.093 386 S HN 0.599 nan 8.310 nan 0.000 0.488 387 T N 0.363 114.620 114.554 -0.495 0.000 2.923 387 T HA 0.692 5.042 4.350 -0.000 0.000 0.311 387 T C -0.478 174.072 174.700 -0.249 0.000 1.183 387 T CA -0.313 61.536 62.100 -0.417 0.000 1.020 387 T CB 1.346 69.966 68.868 -0.414 0.000 1.165 387 T HN 1.117 nan 8.240 nan 0.000 0.482 388 S N 2.417 117.993 115.700 -0.206 0.000 2.718 388 S HA 0.856 5.326 4.470 -0.000 0.000 0.292 388 S C -0.866 173.565 174.600 -0.282 0.000 1.125 388 S CA -0.646 57.507 58.200 -0.078 0.000 1.013 388 S CB 0.755 63.975 63.200 0.033 0.000 1.192 388 S HN 0.874 nan 8.310 nan 0.000 0.535 389 H N -1.631 117.461 119.070 0.037 0.000 2.946 389 H HA 0.533 5.089 4.556 -0.000 0.000 0.365 389 H C 0.103 175.446 175.328 0.025 0.000 1.197 389 H CA -0.806 55.266 56.048 0.040 0.000 1.131 389 H CB 1.124 30.903 29.762 0.028 0.000 1.849 389 H HN 0.362 nan 8.280 nan 0.000 0.555 390 L N -0.032 121.278 121.223 0.145 0.000 2.357 390 L HA 0.189 4.529 4.340 -0.000 0.000 0.211 390 L C 2.145 179.049 176.870 0.056 0.000 1.075 390 L CA 1.031 55.907 54.840 0.061 0.000 0.830 390 L CB 0.092 42.151 42.059 -0.000 0.000 0.996 390 L HN 0.871 nan 8.230 nan 0.000 0.467 391 G N -0.245 108.598 108.800 0.072 0.000 2.712 391 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.212 391 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.212 391 G C -0.184 174.722 174.900 0.010 0.000 1.142 391 G CA 0.525 45.640 45.100 0.025 0.000 0.789 391 G HN 0.506 nan 8.290 nan 0.000 0.535 392 D N -3.807 116.612 120.400 0.031 0.000 2.671 392 D HA 0.369 5.009 4.640 -0.000 0.000 0.273 392 D C 0.586 176.910 176.300 0.041 0.000 1.264 392 D CA -0.185 53.816 54.000 0.001 0.000 0.788 392 D CB 0.546 41.306 40.800 -0.067 0.000 1.324 392 D HN -0.088 nan 8.370 nan 0.000 0.424 393 G N -0.734 108.086 108.800 0.034 0.000 3.327 393 G HA2 0.329 4.289 3.960 -0.000 0.000 0.240 393 G HA3 0.329 4.289 3.960 -0.000 0.000 0.240 393 G C 0.363 175.315 174.900 0.087 0.000 1.222 393 G CA 0.328 45.466 45.100 0.064 0.000 0.871 393 G HN 0.659 nan 8.290 nan 0.000 0.525 394 S N -0.423 115.314 115.700 0.062 0.000 2.693 394 S HA 0.720 5.189 4.470 -0.000 0.000 0.276 394 S C -0.640 174.074 174.600 0.191 0.000 1.192 394 S CA -0.605 57.639 58.200 0.072 0.000 0.994 394 S CB 1.830 65.005 63.200 -0.042 0.000 1.012 394 S HN -0.060 nan 8.310 nan 0.000 0.550 395 I N 1.640 122.288 120.570 0.130 0.000 2.468 395 I HA 0.320 4.489 4.170 -0.000 0.000 0.284 395 I C -0.390 175.781 176.117 0.090 0.000 1.038 395 I CA -0.020 61.340 61.300 0.101 0.000 1.083 395 I CB 1.924 39.894 38.000 -0.050 0.000 1.223 395 I HN 0.637 nan 8.210 nan 0.000 0.443 396 S N 6.711 122.498 115.700 0.145 0.000 2.489 396 S HA 0.608 5.078 4.470 -0.000 0.000 0.277 396 S C -0.217 174.401 174.600 0.030 0.000 1.230 396 S CA -0.527 57.737 58.200 0.107 0.000 1.053 396 S CB 0.484 63.799 63.200 0.191 0.000 0.955 396 S HN 0.341 nan 8.310 nan 0.000 0.488 397 L N 4.644 125.868 121.223 0.002 0.000 2.280 397 L HA 0.559 4.899 4.340 -0.000 0.000 0.287 397 L C -0.652 176.188 176.870 -0.049 0.000 1.023 397 L CA -0.375 54.438 54.840 -0.045 0.000 0.819 397 L CB 0.776 42.791 42.059 -0.072 0.000 1.212 397 L HN 0.504 nan 8.230 nan 0.000 0.420 398 I N 2.205 122.803 120.570 0.048 0.000 2.404 398 I HA 0.379 4.549 4.170 -0.000 0.000 0.293 398 I C 0.850 176.992 176.117 0.041 0.000 0.992 398 I CA -0.553 60.802 61.300 0.091 0.000 1.149 398 I CB 1.927 40.091 38.000 0.274 0.000 1.315 398 I HN 0.588 nan 8.210 nan 0.000 0.446 399 G N 2.528 111.296 108.800 -0.053 0.000 2.361 399 G HA2 0.331 4.291 3.960 -0.000 0.000 0.260 399 G HA3 0.331 4.291 3.960 -0.000 0.000 0.260 399 G C 0.478 175.242 174.900 -0.227 0.000 1.261 399 G CA -0.159 44.864 45.100 -0.128 0.000 0.897 399 G HN 0.734 nan 8.290 nan 0.000 0.499 400 T N -0.744 113.690 114.554 -0.200 0.000 3.308 400 T HA 0.280 4.630 4.350 -0.000 0.000 0.270 400 T C -0.299 174.203 174.700 -0.329 0.000 0.992 400 T CA -0.599 61.350 62.100 -0.252 0.000 0.931 400 T CB 0.531 69.510 68.868 0.186 0.000 1.142 400 T HN 0.352 nan 8.240 nan 0.000 0.525 401 D N 1.149 121.287 120.400 -0.436 0.000 2.363 401 D HA 0.384 5.024 4.640 -0.000 0.000 0.258 401 D C -2.157 173.994 176.300 -0.250 0.000 1.259 401 D CA -2.269 51.605 54.000 -0.211 0.000 0.921 401 D CB 2.072 42.845 40.800 -0.044 0.000 1.201 401 D HN -0.007 nan 8.370 nan 0.000 0.524 402 P HA -0.090 nan 4.420 nan 0.000 0.215 402 P C 1.147 178.407 177.300 -0.067 0.000 1.157 402 P CA 1.011 63.980 63.100 -0.217 0.000 0.863 402 P CB 0.594 32.257 31.700 -0.062 0.000 0.787 403 K N -0.467 119.936 120.400 0.005 0.000 1.973 403 K HA -0.060 4.260 4.320 -0.000 0.000 0.212 403 K C 1.436 178.035 176.600 -0.001 0.000 1.047 403 K CA 1.519 57.820 56.287 0.023 0.000 0.937 403 K CB -0.689 31.844 32.500 0.056 0.000 0.721 403 K HN 0.026 nan 8.250 nan 0.000 0.440 404 N N -0.268 118.450 118.700 0.029 0.000 2.270 404 N HA 0.031 4.771 4.740 -0.000 0.000 0.198 404 N C -0.568 174.855 175.510 -0.144 0.000 1.117 404 N CA 0.334 53.376 53.050 -0.013 0.000 0.845 404 N CB 0.643 39.161 38.487 0.052 0.000 0.980 404 N HN 0.243 nan 8.380 nan 0.000 0.486 405 H N -1.903 117.117 119.070 -0.083 0.000 3.083 405 H HA 0.218 4.774 4.556 -0.000 0.000 0.217 405 H C -1.942 173.268 175.328 -0.197 0.000 1.397 405 H CA -0.774 55.211 56.048 -0.106 0.000 1.248 405 H CB 1.043 30.799 29.762 -0.010 0.000 2.199 405 H HN -0.004 nan 8.280 nan 0.000 0.521 406 P HA -0.204 nan 4.420 nan 0.000 0.218 406 P C 1.113 178.290 177.300 -0.205 0.000 1.146 406 P CA 1.362 64.362 63.100 -0.168 0.000 0.813 406 P CB 0.383 32.007 31.700 -0.126 0.000 0.778 407 Q N -2.253 117.366 119.800 -0.301 0.000 2.167 407 Q HA -0.145 4.194 4.340 -0.000 0.000 0.202 407 Q C 1.148 176.926 176.000 -0.371 0.000 0.970 407 Q CA 1.476 57.026 55.803 -0.421 0.000 0.855 407 Q CB -0.819 27.484 28.738 -0.725 0.000 0.911 407 Q HN 0.411 nan 8.270 nan 0.000 0.438 408 Y N -0.387 119.879 120.300 -0.056 0.000 2.462 408 Y HA 0.502 5.052 4.550 -0.000 0.000 0.253 408 Y C 0.526 176.281 175.900 -0.242 0.000 1.095 408 Y CA -0.979 57.051 58.100 -0.116 0.000 1.283 408 Y CB -0.307 38.118 38.460 -0.058 0.000 1.138 408 Y HN -0.033 nan 8.280 nan 0.000 0.522 409 A N 0.114 122.775 122.820 -0.265 0.000 2.548 409 A HA 0.092 4.412 4.320 -0.000 0.000 0.247 409 A C 0.010 177.223 177.584 -0.620 0.000 1.067 409 A CA 0.005 51.581 52.037 -0.769 0.000 0.757 409 A CB -1.168 17.197 19.000 -1.058 0.000 0.996 409 A HN 0.718 nan 8.150 nan 0.000 0.504 410 W N 0.384 121.653 121.300 -0.051 0.000 4.706 410 W HA -0.198 4.462 4.660 -0.000 0.000 0.366 410 W C 0.231 176.734 176.519 -0.025 0.000 1.382 410 W CA 0.568 57.881 57.345 -0.053 0.000 0.832 410 W CB -1.454 27.965 29.460 -0.067 0.000 2.504 410 W HN 0.677 nan 8.180 nan 0.000 1.403 411 K N 0.998 121.463 120.400 0.107 0.000 2.324 411 K HA 0.273 4.593 4.320 -0.000 0.000 0.253 411 K C 0.239 176.838 176.600 -0.002 0.000 0.932 411 K CA -1.231 55.087 56.287 0.052 0.000 0.799 411 K CB 1.666 34.180 32.500 0.024 0.000 1.154 411 K HN -0.142 nan 8.250 nan 0.000 0.425 412 K N 3.783 124.184 120.400 0.002 0.000 2.054 412 K HA 0.016 4.336 4.320 -0.000 0.000 0.242 412 K C 0.729 177.247 176.600 -0.136 0.000 1.157 412 K CA 0.033 56.303 56.287 -0.029 0.000 1.079 412 K CB 0.101 32.607 32.500 0.010 0.000 1.331 412 K HN 0.425 nan 8.250 nan 0.000 0.317 413 V N 2.478 122.226 119.914 -0.277 0.000 2.568 413 V HA -0.158 3.962 4.120 -0.000 0.000 0.253 413 V C 0.649 176.375 176.094 -0.613 0.000 1.072 413 V CA 1.951 63.882 62.300 -0.615 0.000 1.084 413 V CB -0.287 30.944 31.823 -0.986 0.000 0.676 413 V HN 0.843 nan 8.190 nan 0.000 0.469 414 A N -1.556 121.072 122.820 -0.320 0.000 2.544 414 A HA 0.679 4.999 4.320 -0.000 0.000 0.291 414 A C -1.089 176.470 177.584 -0.041 0.000 1.055 414 A CA -0.731 51.221 52.037 -0.141 0.000 0.651 414 A CB 1.004 19.964 19.000 -0.066 0.000 1.296 414 A HN 0.247 nan 8.150 nan 0.000 0.431 415 E N -0.401 119.808 120.200 0.015 0.000 2.392 415 E HA 0.763 5.112 4.350 -0.000 0.000 0.269 415 E C -1.390 175.242 176.600 0.053 0.000 0.924 415 E CA -0.707 55.712 56.400 0.031 0.000 0.784 415 E CB 2.446 32.164 29.700 0.030 0.000 1.292 415 E HN 0.526 nan 8.360 nan 0.000 0.447 416 L N 0.980 122.223 121.223 0.034 0.000 2.327 416 L HA 0.446 4.786 4.340 -0.000 0.000 0.258 416 L C -0.856 176.095 176.870 0.135 0.000 1.024 416 L CA -1.084 53.782 54.840 0.042 0.000 0.825 416 L CB 2.007 43.909 42.059 -0.261 0.000 1.386 416 L HN 0.274 nan 8.230 nan 0.000 0.417 417 Q N 0.820 120.806 119.800 0.310 0.000 2.321 417 Q HA 0.509 4.849 4.340 -0.000 0.000 0.270 417 Q C -0.196 176.100 176.000 0.493 0.000 1.032 417 Q CA -0.357 55.635 55.803 0.315 0.000 0.784 417 Q CB 2.352 31.237 28.738 0.245 0.000 1.264 417 Q HN 0.826 nan 8.270 nan 0.000 0.448 418 G N 0.661 109.629 108.800 0.280 0.000 2.702 418 G HA2 0.153 4.113 3.960 -0.000 0.000 0.254 418 G HA3 0.153 4.113 3.960 -0.000 0.000 0.254 418 G C 0.484 175.295 174.900 -0.147 0.000 1.380 418 G CA -0.233 44.847 45.100 -0.032 0.000 1.042 418 G HN 0.539 nan 8.290 nan 0.000 0.557 419 Q N -0.663 118.930 119.800 -0.344 0.000 2.291 419 Q HA 0.211 4.551 4.340 -0.000 0.000 0.206 419 Q C 1.121 177.117 176.000 -0.005 0.000 0.976 419 Q CA 0.968 56.697 55.803 -0.124 0.000 0.875 419 Q CB 0.016 28.660 28.738 -0.157 0.000 0.927 419 Q HN 0.785 nan 8.270 nan 0.000 0.450 420 G N -1.118 107.682 108.800 0.001 0.000 2.357 420 G HA2 0.197 4.157 3.960 -0.000 0.000 0.289 420 G HA3 0.197 4.157 3.960 -0.000 0.000 0.289 420 G C -0.472 174.446 174.900 0.031 0.000 1.302 420 G CA -0.823 44.292 45.100 0.025 0.000 0.936 420 G HN 0.233 nan 8.290 nan 0.000 0.513 421 G N -1.591 107.228 108.800 0.032 0.000 2.631 421 G HA2 0.573 4.533 3.960 -0.000 0.000 0.271 421 G HA3 0.573 4.533 3.960 -0.000 0.000 0.271 421 G C 1.441 176.370 174.900 0.048 0.000 1.302 421 G CA 1.473 46.599 45.100 0.044 0.000 1.002 421 G HN 2.521 nan 8.290 nan 0.000 0.519 422 G N -1.950 106.887 108.800 0.062 0.000 2.136 422 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.242 422 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.242 422 G C 0.536 175.487 174.900 0.085 0.000 0.989 422 G CA 0.787 45.944 45.100 0.094 0.000 0.682 422 G HN 1.320 nan 8.290 nan 0.000 0.522 423 S N -0.944 114.789 115.700 0.055 0.000 2.565 423 S HA 0.657 5.127 4.470 -0.000 0.000 0.274 423 S C 1.150 175.718 174.600 -0.054 0.000 1.309 423 S CA -0.365 57.856 58.200 0.036 0.000 1.043 423 S CB 1.132 64.368 63.200 0.060 0.000 0.939 423 S HN 0.357 nan 8.310 nan 0.000 0.504 424 L N 3.835 124.998 121.223 -0.099 0.000 2.526 424 L HA 0.593 4.933 4.340 -0.000 0.000 0.210 424 L C -0.772 175.764 176.870 -0.555 0.000 1.048 424 L CA 1.038 55.594 54.840 -0.473 0.000 0.852 424 L CB -0.081 41.714 42.059 -0.440 0.000 1.128 424 L HN 0.661 nan 8.230 nan 0.000 0.482 425 F N -0.773 119.277 119.950 0.166 0.000 2.569 425 F HA 0.492 5.019 4.527 -0.000 0.000 0.312 425 F C -0.231 175.656 175.800 0.144 0.000 1.109 425 F CA -0.775 57.321 58.000 0.161 0.000 0.919 425 F CB 1.898 40.978 39.000 0.134 0.000 1.211 425 F HN -0.312 nan 8.300 nan 0.000 0.446 426 I N 2.883 123.629 120.570 0.293 0.000 2.562 426 I HA 0.658 4.827 4.170 -0.000 0.000 0.301 426 I C -1.067 175.211 176.117 0.267 0.000 1.003 426 I CA -0.599 60.838 61.300 0.229 0.000 1.127 426 I CB 1.631 39.684 38.000 0.089 0.000 1.304 426 I HN 0.632 nan 8.210 nan 0.000 0.446 427 K N 3.261 123.863 120.400 0.337 0.000 2.556 427 K HA 0.708 5.028 4.320 -0.000 0.000 0.274 427 K C -1.167 175.736 176.600 0.506 0.000 0.966 427 K CA -0.445 56.077 56.287 0.393 0.000 0.865 427 K CB 2.121 34.847 32.500 0.377 0.000 1.444 427 K HN 0.672 nan 8.250 nan 0.000 0.433 428 T N -0.197 114.626 114.554 0.449 0.000 2.677 428 T HA 0.377 4.727 4.350 -0.000 0.000 0.305 428 T C -2.307 172.333 174.700 -0.100 0.000 1.569 428 T CA -0.520 61.770 62.100 0.316 0.000 0.984 428 T CB 0.579 69.589 68.868 0.237 0.000 1.629 428 T HN 0.575 nan 8.240 nan 0.000 0.494 429 H N 0.073 118.925 119.070 -0.364 0.000 3.046 429 H HA 0.375 4.931 4.556 -0.000 0.000 0.361 429 H C -2.397 172.859 175.328 -0.120 0.000 1.235 429 H CA -1.433 54.371 56.048 -0.408 0.000 1.146 429 H CB 2.421 31.607 29.762 -0.961 0.000 1.859 429 H HN 0.340 nan 8.280 nan 0.000 0.548 430 P HA -0.087 nan 4.420 nan 0.000 0.216 430 P C 0.507 177.873 177.300 0.109 0.000 1.150 430 P CA 1.626 64.696 63.100 -0.049 0.000 0.843 430 P CB 0.300 31.906 31.700 -0.157 0.000 0.787 431 K N -1.301 119.281 120.400 0.303 0.000 2.404 431 K HA 0.165 4.485 4.320 -0.000 0.000 0.194 431 K C 0.745 177.458 176.600 0.188 0.000 1.023 431 K CA 0.009 56.433 56.287 0.228 0.000 1.094 431 K CB 0.225 32.870 32.500 0.240 0.000 0.841 431 K HN 0.019 nan 8.250 nan 0.000 0.523 432 S N 0.266 116.087 115.700 0.202 0.000 2.549 432 S HA 0.205 4.674 4.470 -0.000 0.000 0.297 432 S C 0.528 175.191 174.600 0.105 0.000 1.115 432 S CA -0.828 57.499 58.200 0.212 0.000 1.059 432 S CB 1.280 64.691 63.200 0.353 0.000 1.046 432 S HN 0.200 nan 8.310 nan 0.000 0.506 433 S N 2.103 117.799 115.700 -0.007 0.000 2.602 433 S HA 0.372 4.842 4.470 -0.000 0.000 0.240 433 S C -0.268 174.148 174.600 -0.308 0.000 0.992 433 S CA -0.407 57.692 58.200 -0.168 0.000 0.971 433 S CB -0.413 62.656 63.200 -0.219 0.000 0.855 433 S HN 0.773 nan 8.310 nan 0.000 0.481 434 H N 0.366 119.509 119.070 0.122 0.000 2.679 434 H HA 0.731 5.287 4.556 -0.000 0.000 0.367 434 H C -1.214 174.169 175.328 0.093 0.000 1.162 434 H CA -0.895 55.186 56.048 0.055 0.000 1.181 434 H CB 1.822 31.605 29.762 0.034 0.000 1.693 434 H HN 0.191 nan 8.280 nan 0.000 0.538 435 L N 2.974 124.264 121.223 0.112 0.000 2.406 435 L HA 0.368 4.708 4.340 -0.000 0.000 0.270 435 L C -1.767 175.214 176.870 0.184 0.000 0.982 435 L CA -0.450 54.490 54.840 0.166 0.000 0.843 435 L CB 0.281 42.323 42.059 -0.028 0.000 1.225 435 L HN 0.523 nan 8.230 nan 0.000 0.412 436 Y N 3.804 124.301 120.300 0.328 0.000 2.320 436 Y HA 0.737 5.287 4.550 -0.000 0.000 0.324 436 Y C -0.082 175.994 175.900 0.293 0.000 1.190 436 Y CA -0.678 57.615 58.100 0.321 0.000 1.215 436 Y CB 1.810 40.470 38.460 0.334 0.000 1.221 436 Y HN 0.293 nan 8.280 nan 0.000 0.486 437 V N 2.583 122.736 119.914 0.399 0.000 2.711 437 V HA 0.248 4.368 4.120 -0.000 0.000 0.304 437 V C -0.980 175.246 176.094 0.221 0.000 1.097 437 V CA -1.112 61.361 62.300 0.289 0.000 0.906 437 V CB 1.774 33.751 31.823 0.258 0.000 1.015 437 V HN 0.844 nan 8.190 nan 0.000 0.427 438 D N 2.145 122.681 120.400 0.225 0.000 2.478 438 D HA 0.697 5.337 4.640 -0.000 0.000 0.263 438 D C 0.145 176.499 176.300 0.089 0.000 1.153 438 D CA -0.454 53.647 54.000 0.169 0.000 1.038 438 D CB 1.529 42.475 40.800 0.243 0.000 1.120 438 D HN 0.549 nan 8.370 nan 0.000 0.564 439 T N -3.711 110.871 114.554 0.046 0.000 4.152 439 T HA 0.213 4.563 4.350 -0.000 0.000 0.237 439 T C 0.660 175.346 174.700 -0.024 0.000 0.971 439 T CA -0.589 61.519 62.100 0.014 0.000 1.328 439 T CB -0.459 68.401 68.868 -0.014 0.000 0.912 439 T HN 0.342 nan 8.240 nan 0.000 0.587 440 T N 1.003 115.533 114.554 -0.040 0.000 2.665 440 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 440 T C 0.665 175.107 174.700 -0.431 0.000 1.035 440 T CA 1.531 63.497 62.100 -0.223 0.000 1.151 440 T CB -0.403 68.323 68.868 -0.236 0.000 0.862 440 T HN 0.512 nan 8.240 nan 0.000 0.438 441 F N 1.353 121.306 119.950 0.004 0.000 2.668 441 F HA 0.361 4.887 4.527 -0.000 0.000 0.297 441 F C 0.940 176.719 175.800 -0.034 0.000 1.124 441 F CA -1.166 56.819 58.000 -0.023 0.000 1.353 441 F CB -0.301 38.684 39.000 -0.026 0.000 0.992 441 F HN 0.024 nan 8.300 nan 0.000 0.524 442 N N 2.975 121.709 118.700 0.057 0.000 2.497 442 N HA 0.058 4.798 4.740 -0.000 0.000 0.271 442 N C -1.502 174.013 175.510 0.009 0.000 1.142 442 N CA -1.170 51.898 53.050 0.029 0.000 0.965 442 N CB 1.383 39.869 38.487 -0.002 0.000 1.077 442 N HN -0.019 nan 8.380 nan 0.000 0.462 443 P HA -0.049 nan 4.420 nan 0.000 0.234 443 P C -0.309 176.977 177.300 -0.022 0.000 1.167 443 P CA 0.637 63.733 63.100 -0.007 0.000 0.763 443 P CB 0.209 31.903 31.700 -0.009 0.000 0.835 444 D N -0.448 119.938 120.400 -0.025 0.000 2.280 444 D HA 0.382 5.022 4.640 -0.000 0.000 0.243 444 D C 1.374 177.647 176.300 -0.046 0.000 1.129 444 D CA -0.387 53.593 54.000 -0.032 0.000 0.848 444 D CB 1.209 41.993 40.800 -0.027 0.000 1.107 444 D HN -0.150 nan 8.370 nan 0.000 0.471 445 A N 4.826 127.615 122.820 -0.051 0.000 1.908 445 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 445 A C 2.111 179.652 177.584 -0.071 0.000 1.181 445 A CA 1.470 53.468 52.037 -0.064 0.000 0.627 445 A CB -0.428 18.536 19.000 -0.060 0.000 0.818 445 A HN 0.716 nan 8.150 nan 0.000 0.445 446 R N -0.447 120.014 120.500 -0.065 0.000 2.081 446 R HA -0.062 4.277 4.340 -0.000 0.000 0.235 446 R C 1.936 178.186 176.300 -0.084 0.000 1.131 446 R CA 1.741 57.795 56.100 -0.076 0.000 0.960 446 R CB -0.347 29.914 30.300 -0.066 0.000 0.856 446 R HN 0.572 nan 8.270 nan 0.000 0.436 447 I N 0.609 121.139 120.570 -0.067 0.000 2.353 447 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 447 I C 2.407 178.479 176.117 -0.075 0.000 1.119 447 I CA 1.307 62.567 61.300 -0.066 0.000 1.417 447 I CB -0.216 37.758 38.000 -0.044 0.000 1.078 447 I HN 0.305 nan 8.210 nan 0.000 0.421 448 S N 0.352 116.007 115.700 -0.075 0.000 2.423 448 S HA -0.198 4.272 4.470 -0.000 0.000 0.231 448 S C 1.732 176.275 174.600 -0.097 0.000 1.014 448 S CA 0.827 58.973 58.200 -0.089 0.000 0.965 448 S CB -0.343 62.793 63.200 -0.107 0.000 0.785 448 S HN 0.520 nan 8.310 nan 0.000 0.495 449 Q N 1.440 121.178 119.800 -0.103 0.000 2.320 449 Q HA 0.271 4.611 4.340 -0.000 0.000 0.201 449 Q C 0.266 176.173 176.000 -0.156 0.000 0.910 449 Q CA 0.126 55.861 55.803 -0.114 0.000 0.946 449 Q CB 0.466 29.138 28.738 -0.111 0.000 1.062 449 Q HN 0.755 nan 8.270 nan 0.000 0.503 450 S N -1.012 114.595 115.700 -0.156 0.000 2.661 450 S HA 0.757 5.227 4.470 -0.000 0.000 0.285 450 S C -0.540 173.956 174.600 -0.174 0.000 1.138 450 S CA -0.934 57.138 58.200 -0.213 0.000 0.855 450 S CB 1.933 65.006 63.200 -0.211 0.000 1.136 450 S HN 0.069 nan 8.310 nan 0.000 0.484 451 V N -1.632 118.153 119.914 -0.214 0.000 2.735 451 V HA 0.971 5.091 4.120 -0.000 0.000 0.310 451 V C -0.060 175.970 176.094 -0.108 0.000 1.061 451 V CA -0.890 61.346 62.300 -0.106 0.000 0.913 451 V CB 0.910 32.716 31.823 -0.028 0.000 1.005 451 V HN 1.464 nan 8.190 nan 0.000 0.428 452 A N 3.890 126.640 122.820 -0.117 0.000 2.309 452 A HA 0.829 5.149 4.320 -0.000 0.000 0.298 452 A C -0.305 177.203 177.584 -0.126 0.000 1.165 452 A CA -0.526 51.358 52.037 -0.255 0.000 0.821 452 A CB 1.013 19.605 19.000 -0.681 0.000 1.102 452 A HN 1.561 nan 8.150 nan 0.000 0.500 453 V N 2.458 122.250 119.914 -0.202 0.000 2.531 453 V HA 0.515 4.635 4.120 -0.000 0.000 0.301 453 V C -0.892 175.082 176.094 -0.200 0.000 1.034 453 V CA -0.383 61.778 62.300 -0.231 0.000 0.865 453 V CB 0.884 32.488 31.823 -0.365 0.000 0.995 453 V HN 0.722 nan 8.190 nan 0.000 0.424 454 F N 1.586 121.511 119.950 -0.041 0.000 2.440 454 F HA 0.564 5.091 4.527 -0.000 0.000 0.328 454 F C 0.334 176.145 175.800 0.017 0.000 1.070 454 F CA -0.813 57.201 58.000 0.023 0.000 1.011 454 F CB 1.217 40.227 39.000 0.017 0.000 1.226 454 F HN 0.465 nan 8.300 nan 0.000 0.491 455 D N 1.580 122.104 120.400 0.207 0.000 2.373 455 D HA 0.271 4.911 4.640 -0.000 0.000 0.227 455 D C 0.730 177.033 176.300 0.005 0.000 1.091 455 D CA -0.061 53.988 54.000 0.082 0.000 0.840 455 D CB 0.828 41.666 40.800 0.063 0.000 1.060 455 D HN 0.466 nan 8.370 nan 0.000 0.502 456 L N 2.998 124.163 121.223 -0.098 0.000 2.265 456 L HA -0.088 4.252 4.340 -0.000 0.000 0.215 456 L C 1.868 178.677 176.870 -0.101 0.000 1.117 456 L CA 0.898 55.641 54.840 -0.162 0.000 0.782 456 L CB -0.107 41.803 42.059 -0.248 0.000 0.914 456 L HN 0.347 nan 8.230 nan 0.000 0.441 457 K N -0.513 119.838 120.400 -0.081 0.000 2.459 457 K HA 0.012 4.332 4.320 -0.000 0.000 0.193 457 K C 0.329 176.906 176.600 -0.039 0.000 1.030 457 K CA 0.200 56.452 56.287 -0.059 0.000 1.026 457 K CB 0.168 32.635 32.500 -0.055 0.000 0.809 457 K HN 0.046 nan 8.250 nan 0.000 0.504 458 N N 0.637 119.325 118.700 -0.020 0.000 2.700 458 N HA 0.140 4.880 4.740 -0.000 0.000 0.242 458 N C -0.046 175.491 175.510 0.044 0.000 1.541 458 N CA -0.054 53.000 53.050 0.006 0.000 0.764 458 N CB 0.326 38.820 38.487 0.011 0.000 1.319 458 N HN -0.049 nan 8.380 nan 0.000 0.518 459 L N -0.442 120.806 121.223 0.042 0.000 2.549 459 L HA -0.047 4.293 4.340 -0.000 0.000 0.230 459 L C 0.986 177.943 176.870 0.144 0.000 1.162 459 L CA 0.822 55.726 54.840 0.107 0.000 0.834 459 L CB 0.128 42.245 42.059 0.096 0.000 0.947 459 L HN 0.264 nan 8.230 nan 0.000 0.452 460 D N 0.283 120.742 120.400 0.099 0.000 2.249 460 D HA 0.051 4.691 4.640 -0.000 0.000 0.205 460 D C 1.124 177.475 176.300 0.085 0.000 0.962 460 D CA 0.484 54.540 54.000 0.093 0.000 0.860 460 D CB 0.223 41.059 40.800 0.060 0.000 0.955 460 D HN 0.259 nan 8.370 nan 0.000 0.505 461 A N 1.027 123.891 122.820 0.072 0.000 2.351 461 A HA 0.183 4.503 4.320 -0.000 0.000 0.257 461 A C 0.609 178.212 177.584 0.032 0.000 1.087 461 A CA -0.303 51.753 52.037 0.032 0.000 0.798 461 A CB 0.729 19.735 19.000 0.011 0.000 1.033 461 A HN -0.057 nan 8.150 nan 0.000 0.488 462 K N 0.660 121.017 120.400 -0.072 0.000 2.219 462 K HA 0.270 4.590 4.320 -0.000 0.000 0.258 462 K C -0.328 176.064 176.600 -0.346 0.000 1.008 462 K CA -0.240 55.917 56.287 -0.217 0.000 0.928 462 K CB 0.197 32.478 32.500 -0.365 0.000 0.983 462 K HN 0.674 nan 8.250 nan 0.000 0.484 463 Y N 0.138 120.174 120.300 -0.439 0.000 2.335 463 Y HA 0.092 4.642 4.550 -0.000 0.000 0.348 463 Y C -0.121 175.567 175.900 -0.354 0.000 1.280 463 Y CA -0.540 57.163 58.100 -0.662 0.000 1.504 463 Y CB 0.214 37.969 38.460 -1.175 0.000 1.366 463 Y HN 0.417 nan 8.280 nan 0.000 0.621 464 Q N 0.779 120.526 119.800 -0.089 0.000 2.274 464 Q HA 0.591 4.930 4.340 -0.000 0.000 0.260 464 Q C -1.390 174.617 176.000 0.011 0.000 0.974 464 Q CA -1.200 54.560 55.803 -0.071 0.000 0.876 464 Q CB 2.607 31.296 28.738 -0.083 0.000 1.297 464 Q HN 0.620 nan 8.270 nan 0.000 0.446 465 V N 3.581 123.487 119.914 -0.013 0.000 2.370 465 V HA 0.209 4.328 4.120 -0.000 0.000 0.279 465 V C -0.653 175.325 176.094 -0.193 0.000 1.029 465 V CA -0.597 61.667 62.300 -0.061 0.000 0.870 465 V CB 0.976 32.779 31.823 -0.033 0.000 0.984 465 V HN 0.534 nan 8.190 nan 0.000 0.451 466 L N 8.905 129.962 121.223 -0.277 0.000 2.257 466 L HA 0.449 4.789 4.340 -0.000 0.000 0.290 466 L C -1.928 174.525 176.870 -0.694 0.000 1.044 466 L CA -1.960 52.570 54.840 -0.517 0.000 0.810 466 L CB 1.497 43.318 42.059 -0.396 0.000 1.193 466 L HN 0.428 nan 8.230 nan 0.000 0.425 467 P HA 0.093 nan 4.420 nan 0.000 0.244 467 P C 0.859 177.612 177.300 -0.911 0.000 1.769 467 P CA -0.240 62.386 63.100 -0.790 0.000 1.102 467 P CB 0.361 31.631 31.700 -0.717 0.000 1.937 468 I N 2.429 122.632 120.570 -0.612 0.000 2.142 468 I HA -0.205 3.965 4.170 -0.000 0.000 0.240 468 I C 2.379 178.407 176.117 -0.148 0.000 1.078 468 I CA 1.582 62.664 61.300 -0.364 0.000 1.343 468 I CB -2.007 35.736 38.000 -0.428 0.000 1.046 468 I HN 0.188 nan 8.210 nan 0.000 0.405 469 A N 0.210 122.940 122.820 -0.150 0.000 2.015 469 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 469 A C 2.358 179.915 177.584 -0.045 0.000 1.163 469 A CA 1.580 53.575 52.037 -0.070 0.000 0.646 469 A CB -0.642 18.314 19.000 -0.073 0.000 0.806 469 A HN 0.572 nan 8.150 nan 0.000 0.448 470 E N -1.287 118.855 120.200 -0.096 0.000 2.107 470 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 470 E C 1.637 178.289 176.600 0.086 0.000 0.982 470 E CA 1.006 57.376 56.400 -0.050 0.000 0.809 470 E CB -0.226 29.396 29.700 -0.130 0.000 0.756 470 E HN 0.722 nan 8.360 nan 0.000 0.459 471 W N 0.776 122.026 121.300 -0.084 0.000 2.374 471 W HA 0.002 4.662 4.660 -0.000 0.000 0.288 471 W C 2.405 178.878 176.519 -0.078 0.000 1.218 471 W CA 1.130 58.425 57.345 -0.085 0.000 1.245 471 W CB -0.918 28.479 29.460 -0.106 0.000 1.126 471 W HN 0.236 nan 8.180 nan 0.000 0.545 472 A N -0.087 122.826 122.820 0.156 0.000 1.972 472 A HA -0.178 4.141 4.320 -0.000 0.000 0.219 472 A C 0.835 178.440 177.584 0.035 0.000 1.169 472 A CA 1.608 53.682 52.037 0.063 0.000 0.635 472 A CB -0.712 18.311 19.000 0.038 0.000 0.810 472 A HN 0.204 nan 8.150 nan 0.000 0.446 473 D N -2.062 118.362 120.400 0.041 0.000 2.828 473 D HA -0.132 4.508 4.640 -0.000 0.000 0.241 473 D C 0.270 176.575 176.300 0.008 0.000 1.142 473 D CA 0.853 54.865 54.000 0.022 0.000 0.755 473 D CB -1.465 39.345 40.800 0.016 0.000 1.014 473 D HN 0.422 nan 8.370 nan 0.000 0.420 474 L N -0.038 121.188 121.223 0.005 0.000 2.425 474 L HA 0.465 4.804 4.340 -0.000 0.000 0.215 474 L C 2.057 178.926 176.870 -0.002 0.000 1.065 474 L CA 0.496 55.337 54.840 0.002 0.000 0.842 474 L CB -0.136 41.926 42.059 0.004 0.000 1.033 474 L HN 0.570 nan 8.230 nan 0.000 0.474 475 G N 0.923 109.719 108.800 -0.006 0.000 2.443 475 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.209 475 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.209 475 G C -0.518 174.373 174.900 -0.015 0.000 1.176 475 G CA -0.123 44.971 45.100 -0.009 0.000 1.074 475 G HN 0.337 nan 8.290 nan 0.000 0.577 476 E N 0.537 120.729 120.200 -0.014 0.000 2.392 476 E HA 0.512 4.862 4.350 -0.000 0.000 0.256 476 E C 0.470 177.055 176.600 -0.024 0.000 1.145 476 E CA -0.027 56.361 56.400 -0.020 0.000 0.929 476 E CB 1.172 30.862 29.700 -0.017 0.000 0.998 476 E HN 2.501 nan 8.360 nan 0.000 0.442 477 G N -0.357 108.423 108.800 -0.034 0.000 2.484 477 G HA2 0.128 4.088 3.960 -0.000 0.000 0.685 477 G HA3 0.128 4.088 3.960 -0.000 0.000 0.685 477 G C 0.285 175.146 174.900 -0.064 0.000 1.294 477 G CA -0.187 44.885 45.100 -0.046 0.000 0.879 477 G HN 0.770 nan 8.290 nan 0.000 0.646 478 A N 0.552 123.317 122.820 -0.092 0.000 1.978 478 A HA 0.197 4.516 4.320 -0.000 0.000 0.220 478 A C 1.615 179.129 177.584 -0.116 0.000 1.170 478 A CA 2.300 54.267 52.037 -0.117 0.000 0.636 478 A CB -0.614 18.287 19.000 -0.166 0.000 0.810 478 A HN 1.774 nan 8.150 nan 0.000 0.448 479 K N -0.542 119.796 120.400 -0.102 0.000 3.278 479 K HA -0.186 4.134 4.320 -0.000 0.000 0.270 479 K C -0.689 175.865 176.600 -0.077 0.000 0.955 479 K CA 0.605 56.851 56.287 -0.068 0.000 0.723 479 K CB -1.178 31.292 32.500 -0.050 0.000 1.382 479 K HN 0.624 nan 8.250 nan 0.000 0.461 480 R N 0.541 120.971 120.500 -0.118 0.000 2.442 480 R HA 0.198 4.538 4.340 -0.000 0.000 0.291 480 R C 0.361 176.675 176.300 0.023 0.000 1.069 480 R CA -0.413 55.619 56.100 -0.114 0.000 1.022 480 R CB 0.833 30.967 30.300 -0.277 0.000 0.976 480 R HN -0.021 nan 8.270 nan 0.000 0.443 481 V N 4.320 124.240 119.914 0.010 0.000 2.509 481 V HA 0.394 4.514 4.120 -0.000 0.000 0.284 481 V C -0.030 176.145 176.094 0.136 0.000 1.047 481 V CA -0.360 61.984 62.300 0.074 0.000 0.952 481 V CB 1.576 33.402 31.823 0.005 0.000 0.988 481 V HN 0.516 nan 8.190 nan 0.000 0.469 482 V N 4.948 124.981 119.914 0.199 0.000 3.048 482 V HA 0.524 4.644 4.120 -0.000 0.000 0.303 482 V C -0.572 175.608 176.094 0.144 0.000 1.214 482 V CA -0.397 62.040 62.300 0.228 0.000 0.984 482 V CB 1.804 33.774 31.823 0.245 0.000 1.054 482 V HN 1.080 nan 8.190 nan 0.000 0.430 483 Q N 4.012 123.903 119.800 0.150 0.000 2.670 483 Q HA -0.122 4.218 4.340 -0.000 0.000 0.186 483 Q C -2.575 173.292 176.000 -0.221 0.000 1.417 483 Q CA 0.412 56.050 55.803 -0.275 0.000 0.634 483 Q CB -0.169 28.010 28.738 -0.933 0.000 0.753 483 Q HN 0.631 nan 8.270 nan 0.000 0.313 484 P HA 0.196 nan 4.420 nan 0.000 0.280 484 P C -1.109 175.980 177.300 -0.351 0.000 1.244 484 P CA 0.114 62.913 63.100 -0.501 0.000 0.784 484 P CB 1.079 32.614 31.700 -0.275 0.000 0.913 485 E N 2.524 122.491 120.200 -0.389 0.000 2.274 485 E HA 0.317 4.667 4.350 -0.000 0.000 0.269 485 E C -1.429 175.166 176.600 -0.009 0.000 0.891 485 E CA -0.618 55.716 56.400 -0.109 0.000 0.784 485 E CB 0.400 30.032 29.700 -0.113 0.000 1.225 485 E HN 0.197 nan 8.360 nan 0.000 0.412 486 Y N 2.541 122.843 120.300 0.002 0.000 2.281 486 Y HA 0.226 4.776 4.550 -0.000 0.000 0.337 486 Y C 1.351 177.295 175.900 0.073 0.000 1.304 486 Y CA 0.006 58.138 58.100 0.054 0.000 1.465 486 Y CB 0.534 39.030 38.460 0.059 0.000 1.350 486 Y HN 0.636 nan 8.280 nan 0.000 0.575 487 N N 0.347 119.219 118.700 0.286 0.000 2.538 487 N HA 0.122 4.862 4.740 -0.000 0.000 0.292 487 N C 0.742 176.298 175.510 0.076 0.000 1.262 487 N CA -0.584 52.574 53.050 0.180 0.000 0.976 487 N CB 0.491 39.182 38.487 0.341 0.000 1.161 487 N HN 0.574 nan 8.380 nan 0.000 0.598 488 K N 0.036 120.440 120.400 0.007 0.000 2.044 488 K HA -0.160 4.159 4.320 -0.000 0.000 0.210 488 K C 1.455 178.043 176.600 -0.019 0.000 1.049 488 K CA 1.610 57.884 56.287 -0.022 0.000 0.927 488 K CB -0.056 32.376 32.500 -0.114 0.000 0.713 488 K HN 0.696 nan 8.250 nan 0.000 0.443 489 R N -0.844 119.647 120.500 -0.017 0.000 2.359 489 R HA 0.138 4.478 4.340 -0.000 0.000 0.231 489 R C 0.877 177.113 176.300 -0.106 0.000 0.913 489 R CA 0.579 56.664 56.100 -0.025 0.000 1.075 489 R CB 0.006 30.301 30.300 -0.008 0.000 1.087 489 R HN 0.210 nan 8.270 nan 0.000 0.515 490 G N 2.869 111.528 108.800 -0.236 0.000 2.283 490 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.280 490 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.280 490 G C -0.031 174.888 174.900 0.031 0.000 1.029 490 G CA 0.807 45.645 45.100 -0.438 0.000 0.840 490 G HN 0.735 nan 8.290 nan 0.000 0.505 491 D N -0.689 119.769 120.400 0.098 0.000 2.398 491 D HA 0.190 4.829 4.640 -0.000 0.000 0.210 491 D C 0.739 177.116 176.300 0.128 0.000 1.094 491 D CA 0.595 54.673 54.000 0.129 0.000 0.839 491 D CB 0.181 41.035 40.800 0.091 0.000 0.963 491 D HN 0.809 nan 8.370 nan 0.000 0.506 492 E N -0.345 119.931 120.200 0.127 0.000 2.321 492 E HA 0.520 4.870 4.350 -0.000 0.000 0.278 492 E C -1.487 175.096 176.600 -0.028 0.000 0.902 492 E CA -1.159 55.285 56.400 0.072 0.000 0.758 492 E CB 2.208 31.990 29.700 0.137 0.000 1.213 492 E HN -0.145 nan 8.360 nan 0.000 0.426 493 V N 2.160 121.927 119.914 -0.245 0.000 2.495 493 V HA 0.401 4.521 4.120 -0.000 0.000 0.298 493 V C -0.974 174.910 176.094 -0.350 0.000 1.031 493 V CA -0.703 61.244 62.300 -0.588 0.000 0.871 493 V CB 0.640 31.704 31.823 -1.265 0.000 0.988 493 V HN 0.641 nan 8.190 nan 0.000 0.432 494 W N 3.721 124.605 121.300 -0.693 0.000 2.516 494 W HA 0.815 5.475 4.660 0.000 0.000 0.343 494 W C -0.580 175.451 176.519 -0.814 0.000 1.094 494 W CA -0.938 56.077 57.345 -0.551 0.000 1.250 494 W CB 0.886 30.064 29.460 -0.470 0.000 1.308 494 W HN 0.344 nan 8.180 nan 0.000 0.588 495 F N 0.359 120.320 119.950 0.018 0.000 2.613 495 F HA 0.533 5.060 4.527 -0.000 0.000 0.314 495 F C 0.118 175.914 175.800 -0.007 0.000 1.075 495 F CA -1.252 56.742 58.000 -0.010 0.000 0.945 495 F CB 1.657 40.647 39.000 -0.017 0.000 1.310 495 F HN -0.063 nan 8.300 nan 0.000 0.467 496 S N 0.954 116.764 115.700 0.184 0.000 2.449 496 S HA 0.560 5.030 4.470 -0.000 0.000 0.310 496 S C -0.772 173.915 174.600 0.144 0.000 1.096 496 S CA -0.670 57.596 58.200 0.110 0.000 1.095 496 S CB 1.508 64.721 63.200 0.022 0.000 1.007 496 S HN 0.336 nan 8.310 nan 0.000 0.474 497 V N 4.491 124.479 119.914 0.123 0.000 2.247 497 V HA 0.162 4.282 4.120 -0.000 0.000 0.262 497 V C -0.480 175.722 176.094 0.180 0.000 1.096 497 V CA -0.690 61.681 62.300 0.118 0.000 0.895 497 V CB -0.324 31.538 31.823 0.065 0.000 1.141 497 V HN 0.926 nan 8.190 nan 0.000 0.478 498 W N 5.694 126.982 121.300 -0.019 0.000 2.160 498 W HA 0.250 4.910 4.660 -0.000 0.000 0.464 498 W C 0.186 176.691 176.519 -0.023 0.000 0.914 498 W CA -0.584 56.749 57.345 -0.020 0.000 1.742 498 W CB -0.533 28.908 29.460 -0.032 0.000 1.780 498 W HN 0.469 nan 8.180 nan 0.000 0.307 499 N N 2.162 120.960 118.700 0.162 0.000 2.476 499 N HA 0.554 5.294 4.740 -0.000 0.000 0.276 499 N C 0.559 176.085 175.510 0.027 0.000 1.204 499 N CA -0.027 53.032 53.050 0.014 0.000 0.974 499 N CB 1.050 39.552 38.487 0.025 0.000 1.204 499 N HN 0.347 nan 8.380 nan 0.000 0.543 500 G N 0.277 109.062 108.800 -0.025 0.000 2.771 500 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.242 500 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.242 500 G C 0.848 175.786 174.900 0.064 0.000 1.233 500 G CA -0.049 45.054 45.100 0.006 0.000 0.858 500 G HN 0.748 nan 8.290 nan 0.000 0.591 501 K N -0.348 120.100 120.400 0.080 0.000 2.097 501 K HA -0.086 4.234 4.320 -0.000 0.000 0.206 501 K C 1.838 178.477 176.600 0.066 0.000 1.049 501 K CA 1.798 58.140 56.287 0.092 0.000 0.933 501 K CB -0.132 32.430 32.500 0.104 0.000 0.717 501 K HN 0.586 nan 8.250 nan 0.000 0.442 502 N N 0.443 119.172 118.700 0.048 0.000 2.336 502 N HA 0.012 4.752 4.740 -0.000 0.000 0.189 502 N C -0.575 174.952 175.510 0.028 0.000 1.113 502 N CA -0.153 52.919 53.050 0.036 0.000 0.858 502 N CB 0.434 38.938 38.487 0.030 0.000 0.970 502 N HN 0.172 nan 8.380 nan 0.000 0.471 503 D N -0.451 119.966 120.400 0.028 0.000 2.567 503 D HA 0.174 4.813 4.640 -0.000 0.000 0.275 503 D C -0.270 176.047 176.300 0.028 0.000 1.195 503 D CA -0.200 53.812 54.000 0.020 0.000 1.087 503 D CB 0.839 41.644 40.800 0.008 0.000 1.165 503 D HN -0.203 nan 8.370 nan 0.000 0.609 504 S N -0.815 114.898 115.700 0.023 0.000 2.475 504 S HA 0.563 5.032 4.470 -0.000 0.000 0.298 504 S C -0.629 173.992 174.600 0.034 0.000 1.119 504 S CA -0.375 57.841 58.200 0.026 0.000 1.085 504 S CB 0.625 63.835 63.200 0.016 0.000 1.028 504 S HN 0.329 nan 8.310 nan 0.000 0.489 505 S N 1.714 117.440 115.700 0.044 0.000 2.709 505 S HA 1.018 5.488 4.470 -0.000 0.000 0.302 505 S C -0.804 173.820 174.600 0.040 0.000 1.127 505 S CA -0.490 57.744 58.200 0.057 0.000 0.905 505 S CB 1.703 64.957 63.200 0.091 0.000 1.151 505 S HN 1.165 nan 8.310 nan 0.000 0.510 506 A N 0.522 123.368 122.820 0.043 0.000 2.566 506 A HA 0.720 5.040 4.320 -0.000 0.000 0.290 506 A C -2.292 175.306 177.584 0.023 0.000 1.071 506 A CA -0.702 51.347 52.037 0.020 0.000 0.658 506 A CB 0.685 19.687 19.000 0.003 0.000 1.285 506 A HN 0.616 nan 8.150 nan 0.000 0.427 507 L N 0.987 122.202 121.223 -0.013 0.000 2.325 507 L HA 0.604 4.944 4.340 -0.000 0.000 0.281 507 L C -0.925 175.878 176.870 -0.112 0.000 1.004 507 L CA -0.999 53.828 54.840 -0.022 0.000 0.823 507 L CB 1.732 43.782 42.059 -0.014 0.000 1.236 507 L HN 0.441 nan 8.230 nan 0.000 0.415 508 V N 4.173 124.064 119.914 -0.038 0.000 2.398 508 V HA 0.396 4.516 4.120 -0.000 0.000 0.286 508 V C 0.112 176.134 176.094 -0.120 0.000 1.026 508 V CA -0.625 61.639 62.300 -0.061 0.000 0.868 508 V CB 2.093 33.959 31.823 0.072 0.000 0.982 508 V HN 0.427 nan 8.190 nan 0.000 0.443 509 V N 5.682 125.379 119.914 -0.362 0.000 2.435 509 V HA 0.558 4.678 4.120 -0.000 0.000 0.290 509 V C -0.112 175.853 176.094 -0.214 0.000 1.030 509 V CA -0.554 61.439 62.300 -0.511 0.000 0.881 509 V CB 1.757 33.010 31.823 -0.950 0.000 0.983 509 V HN 0.596 nan 8.190 nan 0.000 0.445 510 V N 2.684 122.560 119.914 -0.064 0.000 2.628 510 V HA 0.383 4.503 4.120 -0.000 0.000 0.306 510 V C -0.199 175.893 176.094 -0.004 0.000 1.045 510 V CA -0.708 61.605 62.300 0.023 0.000 0.905 510 V CB 2.088 34.067 31.823 0.260 0.000 0.997 510 V HN 0.900 nan 8.190 nan 0.000 0.436 511 D N 2.603 122.995 120.400 -0.014 0.000 2.338 511 D HA 0.013 4.653 4.640 -0.000 0.000 0.255 511 D C 0.800 177.148 176.300 0.079 0.000 1.237 511 D CA 0.183 54.192 54.000 0.015 0.000 0.883 511 D CB 1.372 42.165 40.800 -0.011 0.000 1.087 511 D HN 0.744 nan 8.370 nan 0.000 0.485 512 D N 3.274 123.745 120.400 0.120 0.000 2.149 512 D HA -0.206 4.434 4.640 -0.000 0.000 0.198 512 D C 1.645 178.111 176.300 0.276 0.000 0.990 512 D CA 1.126 55.266 54.000 0.233 0.000 0.839 512 D CB 0.310 41.298 40.800 0.314 0.000 0.948 512 D HN 0.261 nan 8.370 nan 0.000 0.460 513 K N -0.525 120.000 120.400 0.209 0.000 2.097 513 K HA -0.068 4.251 4.320 -0.000 0.000 0.205 513 K C 1.654 178.359 176.600 0.175 0.000 1.050 513 K CA 1.734 58.144 56.287 0.205 0.000 0.938 513 K CB -0.228 32.352 32.500 0.132 0.000 0.718 513 K HN 0.403 nan 8.250 nan 0.000 0.442 514 T N -2.338 112.279 114.554 0.106 0.000 2.985 514 T HA 0.216 4.566 4.350 -0.000 0.000 0.254 514 T C 1.075 175.803 174.700 0.045 0.000 1.021 514 T CA -0.029 62.112 62.100 0.069 0.000 0.957 514 T CB 0.005 68.892 68.868 0.032 0.000 1.047 514 T HN 0.267 nan 8.240 nan 0.000 0.511 515 L N -0.308 120.935 121.223 0.034 0.000 4.232 515 L HA -0.190 4.150 4.340 -0.000 0.000 0.415 515 L C 0.036 176.970 176.870 0.106 0.000 1.168 515 L CA 0.631 55.495 54.840 0.041 0.000 0.966 515 L CB -1.622 40.413 42.059 -0.039 0.000 2.052 515 L HN 0.372 nan 8.230 nan 0.000 0.887 516 K N 0.342 120.750 120.400 0.013 0.000 2.118 516 K HA 0.543 4.863 4.320 -0.000 0.000 0.254 516 K C -0.094 176.311 176.600 -0.324 0.000 0.961 516 K CA -1.089 55.125 56.287 -0.122 0.000 0.876 516 K CB 1.945 34.375 32.500 -0.116 0.000 1.077 516 K HN 0.000 nan 8.250 nan 0.000 0.440 517 L N 2.640 123.404 121.223 -0.766 0.000 2.513 517 L HA -0.018 4.322 4.340 -0.000 0.000 0.272 517 L C 0.938 177.544 176.870 -0.440 0.000 1.187 517 L CA 1.096 55.421 54.840 -0.858 0.000 0.895 517 L CB 0.380 41.666 42.059 -1.288 0.000 1.147 517 L HN 0.688 nan 8.230 nan 0.000 0.483 518 K N 3.722 123.929 120.400 -0.321 0.000 2.329 518 K HA 0.533 4.853 4.320 -0.000 0.000 0.198 518 K C -0.078 176.376 176.600 -0.244 0.000 1.085 518 K CA 0.529 56.673 56.287 -0.238 0.000 0.961 518 K CB 0.469 32.858 32.500 -0.185 0.000 0.971 518 K HN 0.794 nan 8.250 nan 0.000 0.502 519 A N -0.125 122.524 122.820 -0.284 0.000 2.544 519 A HA 0.523 4.843 4.320 -0.000 0.000 0.291 519 A C -1.829 175.591 177.584 -0.274 0.000 1.055 519 A CA -0.709 51.167 52.037 -0.267 0.000 0.651 519 A CB 1.628 20.463 19.000 -0.276 0.000 1.296 519 A HN -0.096 nan 8.150 nan 0.000 0.431 520 V N 0.628 120.410 119.914 -0.219 0.000 2.569 520 V HA 0.492 4.612 4.120 -0.000 0.000 0.301 520 V C -0.686 175.314 176.094 -0.155 0.000 1.044 520 V CA -0.597 61.598 62.300 -0.175 0.000 0.874 520 V CB 1.698 33.456 31.823 -0.107 0.000 1.002 520 V HN 0.835 nan 8.190 nan 0.000 0.424 521 V N 5.553 125.370 119.914 -0.161 0.000 2.348 521 V HA 0.467 4.587 4.120 -0.000 0.000 0.270 521 V C 0.119 176.183 176.094 -0.049 0.000 1.037 521 V CA -0.487 61.748 62.300 -0.107 0.000 0.872 521 V CB 0.963 32.719 31.823 -0.112 0.000 1.002 521 V HN 0.823 nan 8.190 nan 0.000 0.464 522 K N 3.593 123.974 120.400 -0.032 0.000 2.328 522 K HA 0.722 5.042 4.320 -0.000 0.000 0.246 522 K C -1.267 175.332 176.600 -0.001 0.000 0.955 522 K CA -0.877 55.403 56.287 -0.011 0.000 0.817 522 K CB 2.508 35.000 32.500 -0.013 0.000 1.208 522 K HN 0.671 nan 8.250 nan 0.000 0.432 523 D N 1.510 121.916 120.400 0.010 0.000 2.721 523 D HA 0.039 4.679 4.640 -0.000 0.000 0.221 523 D C -2.235 174.078 176.300 0.022 0.000 1.208 523 D CA -1.031 52.979 54.000 0.016 0.000 0.755 523 D CB 1.905 42.718 40.800 0.022 0.000 1.732 523 D HN 0.214 nan 8.370 nan 0.000 0.490 524 P HA -0.060 nan 4.420 nan 0.000 0.225 524 P C 0.924 178.242 177.300 0.031 0.000 1.148 524 P CA 0.643 63.758 63.100 0.025 0.000 0.779 524 P CB 0.463 32.176 31.700 0.022 0.000 0.780 525 R N -0.836 119.682 120.500 0.031 0.000 2.246 525 R HA 0.117 4.456 4.340 -0.000 0.000 0.199 525 R C 1.156 177.478 176.300 0.038 0.000 0.984 525 R CA -0.152 55.969 56.100 0.035 0.000 1.015 525 R CB -0.481 29.840 30.300 0.035 0.000 0.930 525 R HN 0.116 nan 8.270 nan 0.000 0.475 526 L N 2.325 123.570 121.223 0.037 0.000 2.376 526 L HA 0.171 4.511 4.340 -0.000 0.000 0.250 526 L C -0.544 176.354 176.870 0.047 0.000 1.335 526 L CA 0.477 55.341 54.840 0.039 0.000 1.214 526 L CB -0.236 41.844 42.059 0.036 0.000 1.395 526 L HN 0.015 nan 8.230 nan 0.000 0.424 527 I N 2.769 123.368 120.570 0.049 0.000 2.365 527 I HA 0.136 4.306 4.170 -0.000 0.000 0.291 527 I C 0.821 176.982 176.117 0.074 0.000 1.004 527 I CA -0.398 60.941 61.300 0.065 0.000 1.311 527 I CB 1.059 39.097 38.000 0.063 0.000 1.401 527 I HN 0.647 nan 8.210 nan 0.000 0.491 528 T N 3.895 118.526 114.554 0.128 0.000 3.361 528 T HA -0.103 4.246 4.350 -0.000 0.000 0.417 528 T C -2.227 172.497 174.700 0.040 0.000 0.769 528 T CA -0.748 61.477 62.100 0.208 0.000 2.085 528 T CB -1.949 67.076 68.868 0.261 0.000 1.689 528 T HN 0.402 nan 8.240 nan 0.000 0.639 529 P HA 0.225 nan 4.420 nan 0.000 0.271 529 P C 0.952 178.109 177.300 -0.238 0.000 1.220 529 P CA 0.027 63.084 63.100 -0.072 0.000 0.768 529 P CB 1.558 33.258 31.700 0.001 0.000 0.848 530 T N 0.805 115.152 114.554 -0.345 0.000 2.995 530 T HA 0.361 4.711 4.350 -0.000 0.000 0.170 530 T C 1.016 175.506 174.700 -0.349 0.000 0.844 530 T CA 0.103 61.896 62.100 -0.513 0.000 1.137 530 T CB -0.809 67.597 68.868 -0.769 0.000 2.193 530 T HN 0.344 nan 8.240 nan 0.000 0.384 531 G N 1.699 110.302 108.800 -0.327 0.000 2.441 531 G HA2 0.509 4.469 3.960 -0.000 0.000 0.243 531 G HA3 0.509 4.469 3.960 -0.000 0.000 0.243 531 G C -1.007 173.636 174.900 -0.428 0.000 1.281 531 G CA -0.464 44.394 45.100 -0.404 0.000 0.854 531 G HN 0.631 nan 8.290 nan 0.000 0.560 532 K N 0.741 120.695 120.400 -0.744 0.000 2.471 532 K HA 0.406 4.726 4.320 -0.000 0.000 0.252 532 K C -1.630 174.526 176.600 -0.742 0.000 0.938 532 K CA -0.420 55.606 56.287 -0.435 0.000 0.796 532 K CB 2.142 34.531 32.500 -0.184 0.000 1.161 532 K HN 0.372 nan 8.250 nan 0.000 0.425 533 F N 1.757 121.692 119.950 -0.026 0.000 2.553 533 F HA 0.247 4.774 4.527 0.000 0.000 0.335 533 F C 0.337 175.992 175.800 -0.242 0.000 1.148 533 F CA -0.985 56.956 58.000 -0.099 0.000 0.963 533 F CB 1.333 40.290 39.000 -0.072 0.000 1.217 533 F HN 0.418 nan 8.300 nan 0.000 0.441 534 N N 2.855 121.357 118.700 -0.330 0.000 2.442 534 N HA 0.065 4.805 4.740 -0.000 0.000 0.265 534 N C 1.071 176.441 175.510 -0.233 0.000 1.138 534 N CA 0.065 52.680 53.050 -0.724 0.000 0.956 534 N CB 1.430 39.363 38.487 -0.924 0.000 1.067 534 N HN 0.486 nan 8.380 nan 0.000 0.474 535 V N 4.918 124.726 119.914 -0.176 0.000 2.250 535 V HA -0.313 3.807 4.120 -0.000 0.000 0.250 535 V C 1.809 177.947 176.094 0.073 0.000 1.060 535 V CA 1.955 64.246 62.300 -0.015 0.000 1.030 535 V CB -1.108 30.723 31.823 0.013 0.000 0.643 535 V HN 0.757 nan 8.190 nan 0.000 0.445 536 Y N 1.660 121.952 120.300 -0.012 0.000 2.114 536 Y HA -0.234 4.316 4.550 -0.000 0.000 0.284 536 Y C 2.562 178.550 175.900 0.146 0.000 1.143 536 Y CA 2.194 60.344 58.100 0.083 0.000 1.135 536 Y CB -0.334 38.124 38.460 -0.003 0.000 0.980 536 Y HN 0.315 nan 8.280 nan 0.000 0.499 537 N N -0.770 118.037 118.700 0.178 0.000 2.166 537 N HA -0.136 4.603 4.740 -0.000 0.000 0.186 537 N C 1.726 177.335 175.510 0.165 0.000 1.019 537 N CA 1.855 55.007 53.050 0.170 0.000 0.856 537 N CB -0.744 37.867 38.487 0.208 0.000 0.993 537 N HN 0.386 nan 8.380 nan 0.000 0.426 538 T N 0.959 115.596 114.554 0.138 0.000 2.732 538 T HA -0.139 4.211 4.350 -0.000 0.000 0.261 538 T C 1.854 176.617 174.700 0.104 0.000 1.040 538 T CA 0.979 63.175 62.100 0.160 0.000 1.145 538 T CB -0.208 68.736 68.868 0.126 0.000 0.866 538 T HN 0.320 nan 8.240 nan 0.000 0.427 539 Q N 0.344 120.168 119.800 0.040 0.000 2.135 539 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 539 Q C 1.280 177.183 176.000 -0.161 0.000 0.981 539 Q CA 1.406 57.179 55.803 -0.051 0.000 0.856 539 Q CB -0.071 28.628 28.738 -0.064 0.000 0.902 539 Q HN 0.668 nan 8.270 nan 0.000 0.425 540 H N 0.006 118.992 119.070 -0.140 0.000 2.505 540 H HA 0.102 4.658 4.556 -0.000 0.000 0.289 540 H C -0.633 174.706 175.328 0.018 0.000 1.052 540 H CA 0.227 56.197 56.048 -0.131 0.000 1.156 540 H CB 0.299 29.806 29.762 -0.426 0.000 1.507 540 H HN 0.400 nan 8.280 nan 0.000 0.548 541 D N 0.928 121.426 120.400 0.164 0.000 2.704 541 D HA -0.156 4.484 4.640 -0.000 0.000 0.232 541 D C -0.568 175.623 176.300 -0.182 0.000 1.183 541 D CA 0.244 54.316 54.000 0.120 0.000 0.647 541 D CB -0.863 39.977 40.800 0.067 0.000 1.013 541 D HN 0.118 nan 8.370 nan 0.000 0.415 542 V N 1.666 121.583 119.914 0.006 0.000 2.339 542 V HA 0.470 4.589 4.120 -0.000 0.000 0.261 542 V C 0.050 176.184 176.094 0.068 0.000 1.058 542 V CA -0.010 62.261 62.300 -0.048 0.000 0.897 542 V CB -0.653 31.182 31.823 0.019 0.000 1.052 542 V HN 0.357 nan 8.190 nan 0.000 0.480 543 Y N 0.000 120.391 120.300 0.151 0.000 2.660 543 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 543 Y CA 0.000 58.198 58.100 0.163 0.000 1.940 543 Y CB 0.000 38.587 38.460 0.211 0.000 1.050 543 Y HN 0.000 nan 8.280 nan 0.000 0.758