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 1t6p_1_A DATA FIRST_RESID 28 DATA SEQUENCE TNLAVAGSHL PTTQVTQVDI VEKXLAAPTD STLELDGYSL NLGDVVSAAR DATA SEQUENCE KGRPVRVKDS DEIRSKIDKS VEFLRSXXXX XXXXXXXXXX XXXXXXXEDA DATA SEQUENCE ISLQKALLEH QLCGVLPSSF DSFRLGRGLE NSLPLEVVRG AXTIRVNSLT DATA SEQUENCE RGHSAVRLVV LEALTNFLNH GITPIVPLRG TISXXXDLSP LSYIAAAISG DATA SEQUENCE HPDSKVHVVH EGKEKILYAR EAXALFNLEP VVLGPKEGLG LVNGTAVSAS DATA SEQUENCE XATLALHDAH XLSLLSQSLT AXTVEAXVGH AGSFHPFLHD VTRPHPTQIE DATA SEQUENCE VAGNIRKLLE GSRFAVHHEE XXXXXXXXXX XXQDRYPLRT SPQWLGPLVS DATA SEQUENCE DLIHAHAVLT IEAGQSTTDN PLIDVENKTS HHGGNFQAAA VANTXEKTRL DATA SEQUENCE GLAQIGKLNF TQLTEXLNAG XNRGLPSCLA AEDPSLSYHC KGLDIAAAAY DATA SEQUENCE TSELGHLANP VTTHVQPAEX ANQAVNSLAL ISARRTTESN DVLSLLLATH DATA SEQUENCE LYCVLQAIDL RAIEFEFKKQ FGPAIVSLID QHFGSAXTGS NLRDELVEKV DATA SEQUENCE NKTLAKRLEQ TNSYDLVPRW HDAFSFAAGT VVEVLSSTSL SLAAVNAWKV DATA SEQUENCE AAAESAISLT RQVRETFWSA ASTSSPALSY LSPRTQILYA FVREELGVKA DATA SEQUENCE RRGDVFLGKQ EVTIGSNVSK IYEAIKSGRI NNVLLKXLA 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 28 T HA 0.000 nan 4.350 nan 0.000 0.228 28 T C 0.000 174.706 174.700 0.010 0.000 1.109 28 T CA 0.000 62.109 62.100 0.015 0.000 1.349 28 T CB 0.000 68.880 68.868 0.021 0.000 0.612 29 N N 0.586 119.292 118.700 0.009 0.000 2.280 29 N HA 0.348 5.088 4.740 -0.000 0.000 0.192 29 N C 1.195 176.703 175.510 -0.004 0.000 1.109 29 N CA 0.430 53.481 53.050 0.002 0.000 0.855 29 N CB -0.282 38.206 38.487 0.001 0.000 0.974 29 N HN 0.574 nan 8.380 nan 0.000 0.482 30 L N -1.973 119.250 121.223 0.000 0.000 4.894 30 L HA -0.397 3.943 4.340 -0.000 0.000 0.391 30 L C 1.341 178.196 176.870 -0.024 0.000 0.780 30 L CA 1.370 56.204 54.840 -0.010 0.000 2.289 30 L CB -1.581 40.468 42.059 -0.017 0.000 1.102 30 L HN 0.263 nan 8.230 nan 0.000 0.635 31 A N -0.704 122.098 122.820 -0.030 0.000 2.235 31 A HA 0.281 4.601 4.320 -0.000 0.000 0.208 31 A C 1.694 179.257 177.584 -0.035 0.000 1.172 31 A CA 1.383 53.383 52.037 -0.061 0.000 0.786 31 A CB -0.163 18.805 19.000 -0.054 0.000 0.804 31 A HN 0.657 nan 8.150 nan 0.000 0.479 32 V N -5.832 114.098 119.914 0.026 0.000 3.473 32 V HA 0.563 4.683 4.120 -0.000 0.000 0.253 32 V C 1.656 177.840 176.094 0.150 0.000 1.340 32 V CA 0.910 63.268 62.300 0.097 0.000 1.103 32 V CB -0.064 31.794 31.823 0.058 0.000 0.881 32 V HN 0.313 nan 8.190 nan 0.000 0.451 33 A N 0.016 122.895 122.820 0.097 0.000 2.343 33 A HA 0.700 5.020 4.320 -0.000 0.000 0.223 33 A C 1.688 179.318 177.584 0.076 0.000 1.214 33 A CA 1.058 53.139 52.037 0.074 0.000 0.900 33 A CB -0.385 18.634 19.000 0.031 0.000 0.942 33 A HN 1.749 nan 8.150 nan 0.000 0.507 34 G N -0.645 108.219 108.800 0.107 0.000 2.509 34 G HA2 0.091 4.051 3.960 -0.000 0.000 0.259 34 G HA3 0.091 4.051 3.960 -0.000 0.000 0.259 34 G C 0.116 174.966 174.900 -0.083 0.000 1.169 34 G CA 0.392 45.510 45.100 0.030 0.000 0.953 34 G HN 2.028 nan 8.290 nan 0.000 0.563 35 S N -1.331 114.249 115.700 -0.199 0.000 2.675 35 S HA 0.511 4.981 4.470 -0.000 0.000 0.297 35 S C -1.280 173.119 174.600 -0.336 0.000 1.035 35 S CA 0.370 58.436 58.200 -0.222 0.000 0.852 35 S CB 0.404 63.564 63.200 -0.067 0.000 1.051 35 S HN 1.342 nan 8.310 nan 0.000 0.451 36 H N 2.991 122.022 119.070 -0.065 0.000 2.467 36 H HA 0.858 5.414 4.556 0.000 0.000 0.326 36 H C -0.095 175.271 175.328 0.064 0.000 1.094 36 H CA -0.242 55.778 56.048 -0.047 0.000 1.253 36 H CB 0.908 30.617 29.762 -0.089 0.000 1.439 36 H HN 0.758 nan 8.280 nan 0.000 0.479 37 L N 1.399 122.764 121.223 0.238 0.000 0.585 37 L HA -0.144 4.196 4.340 -0.000 0.000 0.356 37 L C -2.464 174.469 176.870 0.105 0.000 1.005 37 L CA -1.008 53.922 54.840 0.150 0.000 1.223 37 L CB -0.556 41.574 42.059 0.117 0.000 0.027 37 L HN 0.592 nan 8.230 nan 0.000 0.092 38 P HA -0.077 nan 4.420 nan 0.000 0.255 38 P C 0.790 178.124 177.300 0.057 0.000 1.151 38 P CA 1.089 64.237 63.100 0.079 0.000 0.767 38 P CB 0.507 32.264 31.700 0.095 0.000 0.736 39 T N 1.174 115.755 114.554 0.045 0.000 2.334 39 T HA -0.275 4.075 4.350 -0.000 0.000 0.224 39 T C 1.113 175.824 174.700 0.019 0.000 1.464 39 T CA 2.098 64.213 62.100 0.024 0.000 1.331 39 T CB -1.332 67.543 68.868 0.012 0.000 0.874 39 T HN 0.449 nan 8.240 nan 0.000 0.385 40 T N 0.754 115.317 114.554 0.015 0.000 11.300 40 T HA -0.239 4.111 4.350 -0.000 0.000 0.372 40 T C 0.839 175.540 174.700 0.002 0.000 1.758 40 T CA 1.530 63.636 62.100 0.010 0.000 2.871 40 T CB -1.541 67.334 68.868 0.011 0.000 2.366 40 T HN 1.039 nan 8.240 nan 0.000 0.677 41 Q N 0.579 120.378 119.800 -0.002 0.000 2.211 41 Q HA 0.714 5.054 4.340 -0.000 0.000 0.301 41 Q C -0.499 175.491 176.000 -0.016 0.000 0.884 41 Q CA -0.434 55.365 55.803 -0.007 0.000 1.115 41 Q CB 1.428 30.164 28.738 -0.004 0.000 1.217 41 Q HN 0.444 nan 8.270 nan 0.000 0.451 42 V N 0.692 120.593 119.914 -0.023 0.000 2.915 42 V HA 0.481 4.601 4.120 -0.000 0.000 0.282 42 V C -1.266 174.799 176.094 -0.048 0.000 1.445 42 V CA 0.298 62.574 62.300 -0.041 0.000 0.953 42 V CB 2.287 34.083 31.823 -0.045 0.000 1.140 42 V HN 0.559 nan 8.190 nan 0.000 0.440 43 T N 1.756 116.269 114.554 -0.068 0.000 2.930 43 T HA 0.436 4.786 4.350 -0.000 0.000 0.290 43 T C 0.662 175.288 174.700 -0.125 0.000 1.052 43 T CA 0.163 62.220 62.100 -0.073 0.000 1.017 43 T CB 1.979 70.812 68.868 -0.058 0.000 1.137 43 T HN 0.778 nan 8.240 nan 0.000 0.511 44 Q N 0.018 119.746 119.800 -0.120 0.000 2.096 44 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 44 Q C 2.036 177.898 176.000 -0.229 0.000 0.982 44 Q CA 1.858 57.544 55.803 -0.195 0.000 0.850 44 Q CB -0.469 28.210 28.738 -0.098 0.000 0.901 44 Q HN 0.662 nan 8.270 nan 0.000 0.422 45 V N 1.566 121.393 119.914 -0.145 0.000 2.392 45 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 45 V C 1.747 177.758 176.094 -0.139 0.000 1.059 45 V CA 2.060 64.282 62.300 -0.129 0.000 1.051 45 V CB -0.599 31.172 31.823 -0.086 0.000 0.658 45 V HN 0.429 nan 8.190 nan 0.000 0.455 46 D N 0.044 120.364 120.400 -0.134 0.000 2.097 46 D HA -0.113 4.527 4.640 -0.000 0.000 0.195 46 D C 2.125 178.327 176.300 -0.163 0.000 0.989 46 D CA 1.395 55.322 54.000 -0.121 0.000 0.827 46 D CB -0.178 40.562 40.800 -0.100 0.000 0.966 46 D HN 0.397 nan 8.370 nan 0.000 0.456 47 I N 0.754 121.173 120.570 -0.251 0.000 2.163 47 I HA -0.249 3.921 4.170 -0.000 0.000 0.243 47 I C 2.473 178.390 176.117 -0.334 0.000 1.085 47 I CA 0.756 61.830 61.300 -0.376 0.000 1.347 47 I CB -0.147 37.452 38.000 -0.668 0.000 1.044 47 I HN -0.117 nan 8.210 nan 0.000 0.408 48 V N 0.491 120.202 119.914 -0.338 0.000 2.427 48 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 48 V C 2.439 178.447 176.094 -0.143 0.000 1.051 48 V CA 2.012 64.160 62.300 -0.253 0.000 1.048 48 V CB -0.668 31.013 31.823 -0.236 0.000 0.666 48 V HN 0.499 nan 8.190 nan 0.000 0.456 49 E N 0.369 120.496 120.200 -0.123 0.000 2.077 49 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 49 E C 1.638 178.206 176.600 -0.053 0.000 0.989 49 E CA 0.790 57.143 56.400 -0.077 0.000 0.800 49 E CB 0.068 29.726 29.700 -0.069 0.000 0.746 49 E HN 0.338 nan 8.360 nan 0.000 0.452 53 A N 0.776 123.605 122.820 0.015 0.000 2.307 53 A HA 0.658 4.978 4.320 -0.000 0.000 0.218 53 A C 1.096 178.689 177.584 0.016 0.000 1.228 53 A CA 0.557 52.599 52.037 0.010 0.000 0.857 53 A CB -0.150 18.851 19.000 0.001 0.000 0.897 53 A HN 0.236 nan 8.150 nan 0.000 0.495 54 A N 1.549 124.385 122.820 0.026 0.000 2.451 54 A HA 0.527 4.847 4.320 -0.000 0.000 0.266 54 A C -2.283 175.312 177.584 0.019 0.000 1.119 54 A CA -0.995 51.056 52.037 0.025 0.000 0.786 54 A CB -0.437 18.583 19.000 0.034 0.000 1.061 54 A HN 0.266 nan 8.150 nan 0.000 0.503 55 P HA 0.135 nan 4.420 nan 0.000 0.267 55 P C 0.846 178.153 177.300 0.012 0.000 1.200 55 P CA 0.408 63.516 63.100 0.013 0.000 0.772 55 P CB 0.668 32.375 31.700 0.011 0.000 0.855 56 T N -3.551 111.011 114.554 0.012 0.000 3.043 56 T HA 0.083 4.433 4.350 -0.000 0.000 0.272 56 T C 0.597 175.305 174.700 0.013 0.000 0.990 56 T CA -0.022 62.084 62.100 0.011 0.000 0.897 56 T CB -0.160 68.715 68.868 0.011 0.000 1.111 56 T HN 0.404 nan 8.240 nan 0.000 0.529 57 D N 1.365 121.773 120.400 0.013 0.000 2.482 57 D HA 0.051 4.691 4.640 -0.000 0.000 0.251 57 D C 0.835 177.143 176.300 0.013 0.000 1.073 57 D CA 0.110 54.118 54.000 0.014 0.000 0.892 57 D CB -0.186 40.623 40.800 0.015 0.000 1.202 57 D HN 0.436 nan 8.370 nan 0.000 0.496 58 S N 1.326 117.032 115.700 0.011 0.000 2.416 58 S HA 0.271 4.741 4.470 -0.000 0.000 0.287 58 S C 0.264 174.869 174.600 0.009 0.000 1.139 58 S CA -0.469 57.737 58.200 0.010 0.000 1.058 58 S CB 0.492 63.698 63.200 0.010 0.000 0.967 58 S HN 0.065 nan 8.310 nan 0.000 0.495 59 T N 4.495 119.054 114.554 0.008 0.000 2.720 59 T HA -0.098 4.252 4.350 -0.000 0.000 0.255 59 T C 0.093 174.797 174.700 0.005 0.000 1.021 59 T CA 0.389 62.493 62.100 0.006 0.000 1.145 59 T CB -0.391 68.480 68.868 0.005 0.000 1.036 59 T HN 0.681 nan 8.240 nan 0.000 0.479 60 L N 4.548 125.773 121.223 0.003 0.000 2.290 60 L HA 0.340 4.680 4.340 -0.000 0.000 0.284 60 L C 0.123 176.994 176.870 0.001 0.000 1.078 60 L CA 0.171 55.013 54.840 0.003 0.000 0.815 60 L CB 0.563 42.623 42.059 0.001 0.000 1.162 60 L HN 0.585 nan 8.230 nan 0.000 0.435 61 E N 5.854 126.056 120.200 0.004 0.000 2.113 61 E HA 0.332 4.682 4.350 -0.000 0.000 0.273 61 E C -1.157 175.446 176.600 0.005 0.000 0.924 61 E CA -0.817 55.586 56.400 0.004 0.000 0.764 61 E CB 1.338 31.042 29.700 0.008 0.000 1.104 61 E HN 0.413 nan 8.360 nan 0.000 0.406 62 L N 4.245 125.468 121.223 -0.001 0.000 2.290 62 L HA 0.150 4.490 4.340 -0.000 0.000 0.284 62 L C 0.835 177.708 176.870 0.005 0.000 1.078 62 L CA 0.345 55.182 54.840 -0.005 0.000 0.815 62 L CB 0.504 42.551 42.059 -0.020 0.000 1.162 62 L HN 0.719 nan 8.230 nan 0.000 0.435 63 D N 0.641 121.054 120.400 0.022 0.000 2.527 63 D HA 0.103 4.743 4.640 -0.000 0.000 0.224 63 D C 1.044 177.404 176.300 0.100 0.000 1.217 63 D CA 0.570 54.608 54.000 0.064 0.000 0.819 63 D CB 1.036 41.889 40.800 0.087 0.000 1.061 63 D HN 0.722 nan 8.370 nan 0.000 0.515 64 G N 0.635 109.416 108.800 -0.032 0.000 2.179 64 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.260 64 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.260 64 G C 0.397 174.982 174.900 -0.526 0.000 0.977 64 G CA 0.844 45.783 45.100 -0.268 0.000 0.641 64 G HN 0.429 nan 8.290 nan 0.000 0.533 65 Y N -0.485 119.795 120.300 -0.033 0.000 2.438 65 Y HA 0.279 4.829 4.550 -0.000 0.000 0.274 65 Y C 2.182 178.072 175.900 -0.016 0.000 1.085 65 Y CA 0.642 58.728 58.100 -0.024 0.000 1.199 65 Y CB 0.125 38.572 38.460 -0.022 0.000 1.317 65 Y HN 0.518 nan 8.280 nan 0.000 0.545 66 S N -0.128 115.647 115.700 0.124 0.000 2.557 66 S HA 0.218 4.688 4.470 -0.000 0.000 0.223 66 S C 0.140 174.761 174.600 0.035 0.000 0.969 66 S CA -0.282 57.961 58.200 0.072 0.000 0.927 66 S CB -0.224 63.014 63.200 0.062 0.000 0.806 66 S HN 0.153 nan 8.310 nan 0.000 0.489 67 L N 4.246 125.478 121.223 0.015 0.000 2.455 67 L HA 0.425 4.765 4.340 -0.000 0.000 0.272 67 L C -0.314 176.555 176.870 -0.002 0.000 1.174 67 L CA 0.071 54.910 54.840 -0.001 0.000 0.869 67 L CB 0.052 42.099 42.059 -0.021 0.000 1.130 67 L HN 0.520 nan 8.230 nan 0.000 0.474 68 N N 3.152 121.855 118.700 0.005 0.000 2.531 68 N HA 0.375 5.115 4.740 -0.000 0.000 0.290 68 N C 0.406 175.917 175.510 0.003 0.000 1.257 68 N CA -0.879 52.175 53.050 0.006 0.000 0.863 68 N CB 0.369 38.876 38.487 0.033 0.000 1.320 68 N HN 0.313 nan 8.380 nan 0.000 0.538 69 L N 0.138 121.356 121.223 -0.008 0.000 2.012 69 L HA 0.042 4.382 4.340 -0.000 0.000 0.210 69 L C 2.383 179.293 176.870 0.067 0.000 1.073 69 L CA 2.237 57.081 54.840 0.006 0.000 0.748 69 L CB -1.598 40.437 42.059 -0.041 0.000 0.891 69 L HN 0.966 nan 8.230 nan 0.000 0.431 70 G N -1.142 107.720 108.800 0.104 0.000 2.442 70 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 70 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 70 G C 1.307 176.236 174.900 0.049 0.000 1.141 70 G CA 0.889 46.053 45.100 0.105 0.000 0.763 70 G HN 0.343 nan 8.290 nan 0.000 0.554 71 D N -0.096 120.323 120.400 0.032 0.000 2.097 71 D HA -0.130 4.510 4.640 -0.000 0.000 0.195 71 D C 2.759 179.058 176.300 -0.002 0.000 0.989 71 D CA 1.385 55.392 54.000 0.013 0.000 0.827 71 D CB -0.739 40.067 40.800 0.010 0.000 0.966 71 D HN 0.205 nan 8.370 nan 0.000 0.456 72 V N 0.389 120.298 119.914 -0.007 0.000 2.490 72 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 72 V C 2.117 178.189 176.094 -0.036 0.000 1.061 72 V CA 1.461 63.748 62.300 -0.021 0.000 1.064 72 V CB -0.374 31.435 31.823 -0.024 0.000 0.670 72 V HN 0.045 nan 8.190 nan 0.000 0.461 73 V N 1.832 121.717 119.914 -0.048 0.000 2.427 73 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 73 V C 2.949 178.992 176.094 -0.085 0.000 1.051 73 V CA 2.287 64.520 62.300 -0.111 0.000 1.048 73 V CB -0.931 30.764 31.823 -0.214 0.000 0.666 73 V HN 0.847 nan 8.190 nan 0.000 0.456 74 S N 0.982 116.656 115.700 -0.043 0.000 2.406 74 S HA -0.037 4.433 4.470 -0.000 0.000 0.228 74 S C 2.003 176.591 174.600 -0.020 0.000 1.020 74 S CA 1.134 59.319 58.200 -0.025 0.000 0.965 74 S CB -0.306 62.892 63.200 -0.005 0.000 0.798 74 S HN 0.549 nan 8.310 nan 0.000 0.488 75 A N 1.551 124.359 122.820 -0.020 0.000 1.935 75 A HA 0.592 4.912 4.320 -0.000 0.000 0.214 75 A C 2.415 179.989 177.584 -0.017 0.000 1.178 75 A CA 1.099 53.128 52.037 -0.013 0.000 0.640 75 A CB -1.143 17.851 19.000 -0.012 0.000 0.825 75 A HN 0.738 nan 8.150 nan 0.000 0.447 76 A N -0.167 122.635 122.820 -0.030 0.000 1.855 76 A HA -0.016 4.304 4.320 -0.000 0.000 0.213 76 A C 2.245 179.808 177.584 -0.036 0.000 1.195 76 A CA 1.385 53.401 52.037 -0.033 0.000 0.610 76 A CB -0.297 18.675 19.000 -0.046 0.000 0.837 76 A HN 0.453 nan 8.150 nan 0.000 0.444 77 R N -1.137 119.332 120.500 -0.051 0.000 2.206 77 R HA 0.125 4.465 4.340 -0.000 0.000 0.198 77 R C 0.586 176.870 176.300 -0.028 0.000 0.986 77 R CA 0.499 56.570 56.100 -0.049 0.000 1.029 77 R CB 0.203 30.455 30.300 -0.080 0.000 0.966 77 R HN 0.144 nan 8.270 nan 0.000 0.487 78 K N 0.051 120.438 120.400 -0.023 0.000 2.498 78 K HA 0.175 4.495 4.320 -0.000 0.000 0.207 78 K C 0.366 176.969 176.600 0.004 0.000 1.033 78 K CA 0.258 56.541 56.287 -0.007 0.000 1.138 78 K CB 1.152 33.648 32.500 -0.007 0.000 0.860 78 K HN 0.290 nan 8.250 nan 0.000 0.490 79 G N 2.817 111.620 108.800 0.006 0.000 2.416 79 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.301 79 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.301 79 G C 0.135 175.044 174.900 0.015 0.000 0.985 79 G CA 0.569 45.678 45.100 0.016 0.000 0.934 79 G HN 0.425 nan 8.290 nan 0.000 0.513 80 R N 0.466 120.970 120.500 0.008 0.000 2.296 80 R HA 0.334 4.674 4.340 -0.000 0.000 0.323 80 R C -2.068 174.236 176.300 0.006 0.000 1.067 80 R CA -1.596 54.509 56.100 0.008 0.000 0.946 80 R CB 0.416 30.719 30.300 0.004 0.000 0.991 80 R HN 0.038 nan 8.270 nan 0.000 0.448 81 P HA -0.123 nan 4.420 nan 0.000 0.261 81 P C -1.077 176.221 177.300 -0.003 0.000 1.165 81 P CA 0.226 63.327 63.100 0.001 0.000 0.759 81 P CB 0.633 32.335 31.700 0.004 0.000 0.772 82 V N 5.162 125.071 119.914 -0.009 0.000 2.864 82 V HA 0.793 4.913 4.120 -0.000 0.000 0.314 82 V C 0.107 176.193 176.094 -0.013 0.000 1.073 82 V CA -0.506 61.789 62.300 -0.009 0.000 0.956 82 V CB 2.174 33.992 31.823 -0.009 0.000 1.023 82 V HN 0.684 nan 8.190 nan 0.000 0.435 83 R N 1.508 122.002 120.500 -0.011 0.000 3.197 83 R HA 0.436 4.776 4.340 -0.000 0.000 0.261 83 R C -1.577 174.719 176.300 -0.008 0.000 1.015 83 R CA -0.730 55.364 56.100 -0.011 0.000 0.949 83 R CB 1.259 31.553 30.300 -0.010 0.000 1.256 83 R HN 0.614 nan 8.270 nan 0.000 0.514 84 V N 2.317 122.226 119.914 -0.009 0.000 2.673 84 V HA 0.104 4.224 4.120 -0.000 0.000 0.303 84 V C 0.460 176.554 176.094 -0.000 0.000 1.046 84 V CA 0.127 62.423 62.300 -0.007 0.000 1.126 84 V CB 0.394 32.212 31.823 -0.009 0.000 0.934 84 V HN 0.849 nan 8.190 nan 0.000 0.487 85 K N 4.915 125.317 120.400 0.004 0.000 2.451 85 K HA 0.055 4.375 4.320 -0.000 0.000 0.280 85 K C -0.006 176.599 176.600 0.008 0.000 1.020 85 K CA -0.199 56.092 56.287 0.007 0.000 1.008 85 K CB 0.488 32.995 32.500 0.012 0.000 0.917 85 K HN 0.750 nan 8.250 nan 0.000 0.478 86 D N 2.612 123.016 120.400 0.007 0.000 2.368 86 D HA -0.002 4.638 4.640 -0.000 0.000 0.268 86 D C -1.137 175.168 176.300 0.008 0.000 1.298 86 D CA 0.660 54.664 54.000 0.007 0.000 0.938 86 D CB 0.395 41.200 40.800 0.007 0.000 1.101 86 D HN 0.599 nan 8.370 nan 0.000 0.509 87 S N 2.785 118.489 115.700 0.008 0.000 2.537 87 S HA 0.240 4.710 4.470 -0.000 0.000 0.271 87 S C 0.085 174.690 174.600 0.008 0.000 1.148 87 S CA -0.719 57.485 58.200 0.007 0.000 0.868 87 S CB 1.306 64.511 63.200 0.009 0.000 1.115 87 S HN 0.225 nan 8.310 nan 0.000 0.461 88 D N 1.891 122.295 120.400 0.006 0.000 2.120 88 D HA 0.004 4.644 4.640 -0.000 0.000 0.202 88 D C 1.767 178.071 176.300 0.007 0.000 0.972 88 D CA 1.007 55.011 54.000 0.007 0.000 0.837 88 D CB -0.044 40.759 40.800 0.006 0.000 0.989 88 D HN 0.754 nan 8.370 nan 0.000 0.469 89 E N 1.012 121.215 120.200 0.005 0.000 2.035 89 E HA -0.246 4.104 4.350 -0.000 0.000 0.204 89 E C 1.966 178.572 176.600 0.011 0.000 1.025 89 E CA 1.233 57.636 56.400 0.005 0.000 0.835 89 E CB -0.063 29.637 29.700 -0.000 0.000 0.764 89 E HN 0.092 nan 8.360 nan 0.000 0.457 90 I N 1.006 121.585 120.570 0.014 0.000 2.069 90 I HA -0.305 3.865 4.170 -0.000 0.000 0.237 90 I C 2.813 178.937 176.117 0.012 0.000 1.053 90 I CA 1.672 62.982 61.300 0.016 0.000 1.311 90 I CB -1.415 36.594 38.000 0.016 0.000 1.030 90 I HN 0.267 nan 8.210 nan 0.000 0.398 91 R N 0.304 120.811 120.500 0.011 0.000 2.154 91 R HA -0.202 4.138 4.340 -0.000 0.000 0.248 91 R C 2.608 178.916 176.300 0.014 0.000 1.155 91 R CA 1.848 57.955 56.100 0.011 0.000 0.979 91 R CB -0.126 30.181 30.300 0.011 0.000 0.869 91 R HN 0.399 nan 8.270 nan 0.000 0.452 92 S N 0.841 116.550 115.700 0.014 0.000 2.335 92 S HA -0.147 4.323 4.470 -0.000 0.000 0.217 92 S C 1.723 176.336 174.600 0.021 0.000 1.032 92 S CA 1.497 59.707 58.200 0.017 0.000 0.985 92 S CB -0.102 63.106 63.200 0.014 0.000 0.896 92 S HN 0.474 nan 8.310 nan 0.000 0.445 93 K N 0.530 120.941 120.400 0.019 0.000 2.442 93 K HA 0.005 4.325 4.320 -0.000 0.000 0.198 93 K C 1.924 178.538 176.600 0.023 0.000 1.044 93 K CA 1.270 57.570 56.287 0.022 0.000 0.948 93 K CB -0.404 32.110 32.500 0.023 0.000 0.762 93 K HN 0.467 nan 8.250 nan 0.000 0.472 94 I N 1.486 122.067 120.570 0.018 0.000 2.703 94 I HA -0.130 4.040 4.170 -0.000 0.000 0.259 94 I C 1.023 177.159 176.117 0.031 0.000 1.151 94 I CA 0.908 62.219 61.300 0.018 0.000 1.470 94 I CB -0.040 37.965 38.000 0.009 0.000 1.112 94 I HN 0.117 nan 8.210 nan 0.000 0.437 95 D N 0.895 121.315 120.400 0.032 0.000 2.162 95 D HA -0.089 4.551 4.640 -0.000 0.000 0.205 95 D C 2.077 178.410 176.300 0.055 0.000 0.964 95 D CA 0.838 54.861 54.000 0.039 0.000 0.847 95 D CB 0.004 40.823 40.800 0.031 0.000 0.988 95 D HN 0.050 nan 8.370 nan 0.000 0.480 96 K N 0.317 120.749 120.400 0.053 0.000 2.152 96 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 96 K C 2.101 178.764 176.600 0.105 0.000 1.048 96 K CA 0.941 57.270 56.287 0.070 0.000 0.933 96 K CB -0.086 32.441 32.500 0.044 0.000 0.721 96 K HN -0.015 nan 8.250 nan 0.000 0.447 97 S N 0.328 116.080 115.700 0.087 0.000 2.345 97 S HA -0.091 4.379 4.470 -0.000 0.000 0.219 97 S C 1.979 176.667 174.600 0.147 0.000 1.031 97 S CA 0.967 59.235 58.200 0.114 0.000 0.984 97 S CB -0.112 63.136 63.200 0.080 0.000 0.874 97 S HN 0.067 nan 8.310 nan 0.000 0.451 98 V N 2.149 122.121 119.914 0.097 0.000 2.392 98 V HA -0.138 3.982 4.120 -0.000 0.000 0.249 98 V C 2.379 178.523 176.094 0.083 0.000 1.059 98 V CA 2.078 64.425 62.300 0.079 0.000 1.051 98 V CB -0.720 31.133 31.823 0.050 0.000 0.658 98 V HN 0.553 nan 8.190 nan 0.000 0.455 99 E N -1.001 119.256 120.200 0.095 0.000 2.285 99 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 99 E C 1.946 178.609 176.600 0.105 0.000 0.997 99 E CA 0.748 57.197 56.400 0.081 0.000 0.845 99 E CB -0.102 29.642 29.700 0.073 0.000 0.782 99 E HN 0.641 nan 8.360 nan 0.000 0.491 100 F N 1.237 121.197 119.950 0.018 0.000 2.293 100 F HA -0.078 4.449 4.527 -0.000 0.000 0.300 100 F C 1.729 177.538 175.800 0.015 0.000 1.086 100 F CA 0.947 58.957 58.000 0.018 0.000 1.375 100 F CB 0.114 39.127 39.000 0.022 0.000 1.045 100 F HN -0.076 nan 8.300 nan 0.000 0.516 101 L N -0.473 120.762 121.223 0.019 0.000 2.162 101 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 101 L C 2.647 179.465 176.870 -0.087 0.000 1.086 101 L CA 0.839 55.645 54.840 -0.056 0.000 0.778 101 L CB -0.594 41.486 42.059 0.035 0.000 0.928 101 L HN 0.045 nan 8.230 nan 0.000 0.446 102 R N 0.680 121.152 120.500 -0.046 0.000 2.112 102 R HA -0.168 4.172 4.340 -0.000 0.000 0.242 102 R C 1.359 177.611 176.300 -0.079 0.000 1.137 102 R CA 1.850 57.924 56.100 -0.043 0.000 0.944 102 R CB -0.141 30.148 30.300 -0.018 0.000 0.857 102 R HN 0.449 nan 8.270 nan 0.000 0.435 126 D N 1.116 121.516 120.400 -0.000 0.000 2.309 126 D HA 0.029 4.669 4.640 -0.000 0.000 0.212 126 D C 1.546 177.848 176.300 0.004 0.000 0.968 126 D CA 1.141 55.142 54.000 0.002 0.000 0.882 126 D CB -0.097 40.704 40.800 0.001 0.000 0.918 126 D HN 0.287 nan 8.370 nan 0.000 0.503 127 A N 0.697 123.518 122.820 0.002 0.000 1.933 127 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 127 A C 2.123 179.711 177.584 0.005 0.000 1.175 127 A CA 0.634 52.673 52.037 0.004 0.000 0.628 127 A CB -0.412 18.589 19.000 0.002 0.000 0.814 127 A HN 0.239 nan 8.150 nan 0.000 0.444 128 I N -0.105 120.466 120.570 0.003 0.000 2.617 128 I HA -0.079 4.091 4.170 -0.000 0.000 0.256 128 I C 1.890 178.009 176.117 0.004 0.000 1.167 128 I CA 1.429 62.730 61.300 0.002 0.000 1.469 128 I CB -0.584 37.416 38.000 0.000 0.000 1.098 128 I HN 0.238 nan 8.210 nan 0.000 0.436 129 S N 0.920 116.623 115.700 0.005 0.000 2.406 129 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 129 S C 1.790 176.398 174.600 0.013 0.000 1.020 129 S CA 0.656 58.860 58.200 0.007 0.000 0.965 129 S CB -0.170 63.033 63.200 0.006 0.000 0.798 129 S HN 0.387 nan 8.310 nan 0.000 0.488 130 L N 1.887 123.118 121.223 0.014 0.000 2.141 130 L HA -0.034 4.306 4.340 -0.000 0.000 0.209 130 L C 2.219 179.103 176.870 0.023 0.000 1.094 130 L CA 1.475 56.328 54.840 0.021 0.000 0.763 130 L CB -0.475 41.596 42.059 0.020 0.000 0.908 130 L HN 0.137 nan 8.230 nan 0.000 0.437 131 Q N 0.049 119.857 119.800 0.014 0.000 2.046 131 Q HA -0.213 4.127 4.340 -0.000 0.000 0.200 131 Q C 2.215 178.217 176.000 0.004 0.000 0.975 131 Q CA 1.703 57.510 55.803 0.007 0.000 0.836 131 Q CB -0.381 28.358 28.738 0.002 0.000 0.896 131 Q HN 0.535 nan 8.270 nan 0.000 0.428 132 K N 0.534 120.940 120.400 0.009 0.000 2.211 132 K HA -0.012 4.308 4.320 -0.000 0.000 0.203 132 K C 2.063 178.677 176.600 0.023 0.000 1.050 132 K CA 0.914 57.209 56.287 0.013 0.000 0.945 132 K CB -0.075 32.430 32.500 0.008 0.000 0.732 132 K HN 0.141 nan 8.250 nan 0.000 0.451 133 A N 1.417 124.257 122.820 0.034 0.000 1.898 133 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 133 A C 2.084 179.734 177.584 0.111 0.000 1.181 133 A CA 1.039 53.116 52.037 0.067 0.000 0.620 133 A CB -0.442 18.596 19.000 0.063 0.000 0.819 133 A HN 0.248 nan 8.150 nan 0.000 0.442 134 L N -0.784 120.479 121.223 0.068 0.000 2.017 134 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 134 L C 2.169 178.902 176.870 -0.230 0.000 1.073 134 L CA 2.012 56.858 54.840 0.010 0.000 0.745 134 L CB -0.709 41.354 42.059 0.006 0.000 0.894 134 L HN 0.271 nan 8.230 nan 0.000 0.432 135 L N 0.011 121.153 121.223 -0.135 0.000 2.131 135 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 135 L C 2.546 179.303 176.870 -0.188 0.000 1.092 135 L CA 1.975 56.712 54.840 -0.172 0.000 0.759 135 L CB -0.793 41.222 42.059 -0.074 0.000 0.903 135 L HN 0.617 nan 8.230 nan 0.000 0.435 136 E N -0.927 119.221 120.200 -0.086 0.000 2.031 136 E HA -0.323 4.027 4.350 -0.000 0.000 0.193 136 E C 2.079 178.649 176.600 -0.050 0.000 0.994 136 E CA 1.690 58.073 56.400 -0.028 0.000 0.800 136 E CB -0.198 29.529 29.700 0.045 0.000 0.752 136 E HN 0.844 nan 8.360 nan 0.000 0.447 137 H N -1.043 118.008 119.070 -0.031 0.000 2.502 137 H HA 0.118 4.674 4.556 0.000 0.000 0.283 137 H C 1.823 177.128 175.328 -0.038 0.000 1.015 137 H CA 0.768 56.800 56.048 -0.027 0.000 1.298 137 H CB 0.034 29.785 29.762 -0.018 0.000 1.411 137 H HN 0.079 nan 8.280 nan 0.000 0.556 138 Q N 0.333 119.784 119.800 -0.581 0.000 2.245 138 Q HA 0.056 4.396 4.340 -0.000 0.000 0.201 138 Q C 0.583 176.451 176.000 -0.220 0.000 0.955 138 Q CA 0.284 55.875 55.803 -0.354 0.000 0.870 138 Q CB 0.113 28.614 28.738 -0.395 0.000 0.945 138 Q HN 0.412 nan 8.270 nan 0.000 0.461 139 L N 1.682 122.711 121.223 -0.322 0.000 2.803 139 L HA -0.003 4.337 4.340 -0.000 0.000 0.241 139 L C 0.719 177.527 176.870 -0.102 0.000 1.404 139 L CA 0.249 54.808 54.840 -0.468 0.000 1.211 139 L CB -0.834 40.878 42.059 -0.578 0.000 1.585 139 L HN 0.233 nan 8.230 nan 0.000 0.430 140 C N -2.848 116.483 119.300 0.052 0.000 2.742 140 C HA 0.747 5.207 4.460 -0.000 0.000 0.283 140 C C 1.029 176.098 174.990 0.133 0.000 1.451 140 C CA -0.724 58.351 59.018 0.094 0.000 1.785 140 C CB -0.981 26.801 27.740 0.069 0.000 2.664 140 C HN 0.491 nan 8.230 nan 0.000 0.544 141 G N 0.475 109.408 108.800 0.222 0.000 2.502 141 G HA2 0.565 4.525 3.960 -0.000 0.000 0.305 141 G HA3 0.565 4.525 3.960 -0.000 0.000 0.305 141 G C -0.842 174.082 174.900 0.040 0.000 1.190 141 G CA -0.312 44.840 45.100 0.087 0.000 0.933 141 G HN 0.295 nan 8.290 nan 0.000 0.503 142 V N 1.073 120.980 119.914 -0.011 0.000 2.383 142 V HA 0.470 4.590 4.120 -0.000 0.000 0.275 142 V C -0.347 175.719 176.094 -0.047 0.000 1.036 142 V CA -0.373 61.919 62.300 -0.014 0.000 0.889 142 V CB 0.789 32.605 31.823 -0.011 0.000 0.985 142 V HN 0.447 nan 8.190 nan 0.000 0.459 143 L N 7.027 128.233 121.223 -0.027 0.000 2.359 143 L HA 0.729 5.069 4.340 -0.000 0.000 0.256 143 L C -2.257 174.623 176.870 0.016 0.000 1.026 143 L CA -1.812 53.010 54.840 -0.030 0.000 0.828 143 L CB 2.475 44.505 42.059 -0.047 0.000 1.406 143 L HN 0.437 nan 8.230 nan 0.000 0.413 144 P HA 0.133 nan 4.420 nan 0.000 0.268 144 P C 0.181 177.540 177.300 0.098 0.000 1.204 144 P CA -0.104 63.053 63.100 0.096 0.000 0.768 144 P CB 0.669 32.492 31.700 0.205 0.000 0.842 145 S N 0.758 116.506 115.700 0.081 0.000 2.522 145 S HA 0.061 4.531 4.470 -0.000 0.000 0.227 145 S C 1.013 175.658 174.600 0.075 0.000 0.986 145 S CA 0.480 58.722 58.200 0.070 0.000 0.929 145 S CB -0.163 63.073 63.200 0.060 0.000 0.769 145 S HN 0.599 nan 8.310 nan 0.000 0.529 146 S N -1.132 114.621 115.700 0.088 0.000 3.211 146 S HA 0.611 5.081 4.470 -0.000 0.000 0.320 146 S C -1.308 173.310 174.600 0.031 0.000 1.225 146 S CA -0.459 57.786 58.200 0.076 0.000 1.044 146 S CB 0.120 63.372 63.200 0.087 0.000 1.410 146 S HN 0.222 nan 8.310 nan 0.000 0.640 147 F N 1.202 121.063 119.950 -0.147 0.000 2.746 147 F HA 0.446 4.973 4.527 0.000 0.000 0.320 147 F C 0.514 176.285 175.800 -0.048 0.000 1.097 147 F CA -0.114 57.676 58.000 -0.349 0.000 1.195 147 F CB 0.589 39.341 39.000 -0.415 0.000 1.056 147 F HN 0.398 nan 8.300 nan 0.000 0.562 148 D N -0.311 120.186 120.400 0.163 0.000 2.363 148 D HA -0.016 4.624 4.640 -0.000 0.000 0.226 148 D C 1.779 178.148 176.300 0.115 0.000 1.020 148 D CA 1.004 55.092 54.000 0.146 0.000 0.892 148 D CB -0.062 40.802 40.800 0.107 0.000 0.900 148 D HN 0.349 nan 8.370 nan 0.000 0.531 149 S N -1.045 114.736 115.700 0.136 0.000 2.603 149 S HA 0.149 4.619 4.470 -0.000 0.000 0.232 149 S C 0.321 174.980 174.600 0.097 0.000 1.016 149 S CA -0.615 57.651 58.200 0.111 0.000 0.976 149 S CB -0.092 63.168 63.200 0.100 0.000 0.921 149 S HN -0.103 nan 8.310 nan 0.000 0.516 150 F N 4.073 123.832 119.950 -0.320 0.000 2.434 150 F HA 0.530 5.057 4.527 0.000 0.000 0.358 150 F C 1.063 176.724 175.800 -0.231 0.000 1.136 150 F CA -1.028 56.703 58.000 -0.448 0.000 1.157 150 F CB 0.329 38.631 39.000 -1.162 0.000 1.167 150 F HN -0.060 nan 8.300 nan 0.000 0.539 151 R N 1.909 122.388 120.500 -0.035 0.000 2.691 151 R HA 0.391 4.731 4.340 -0.000 0.000 0.259 151 R C -0.782 175.520 176.300 0.005 0.000 1.048 151 R CA -1.481 54.622 56.100 0.005 0.000 1.086 151 R CB 1.309 31.599 30.300 -0.016 0.000 1.166 151 R HN 0.459 nan 8.270 nan 0.000 0.526 152 L N 1.483 122.725 121.223 0.031 0.000 2.660 152 L HA 0.078 4.418 4.340 -0.000 0.000 0.272 152 L C 1.074 177.946 176.870 0.003 0.000 1.194 152 L CA 1.788 56.649 54.840 0.035 0.000 0.945 152 L CB -0.207 41.875 42.059 0.038 0.000 1.212 152 L HN 0.958 nan 8.230 nan 0.000 0.490 153 G N 3.268 112.069 108.800 0.001 0.000 2.148 153 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.254 153 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.254 153 G C 0.479 175.337 174.900 -0.070 0.000 0.981 153 G CA 0.470 45.557 45.100 -0.022 0.000 0.670 153 G HN 0.664 nan 8.290 nan 0.000 0.528 154 R N -2.040 118.388 120.500 -0.121 0.000 2.947 154 R HA 0.791 5.131 4.340 -0.000 0.000 0.253 154 R C 1.065 177.118 176.300 -0.411 0.000 1.208 154 R CA 0.120 56.098 56.100 -0.203 0.000 1.012 154 R CB 0.826 31.030 30.300 -0.160 0.000 1.267 154 R HN 1.187 nan 8.270 nan 0.000 0.473 155 G N -0.415 108.057 108.800 -0.547 0.000 2.541 155 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.201 155 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.201 155 G C 0.163 174.439 174.900 -1.040 0.000 1.026 155 G CA -0.136 44.284 45.100 -1.134 0.000 0.687 155 G HN 0.322 nan 8.290 nan 0.000 0.492 156 L N 1.259 122.105 121.223 -0.627 0.000 3.062 156 L HA 0.377 4.717 4.340 -0.000 0.000 0.255 156 L C 1.653 178.398 176.870 -0.208 0.000 1.274 156 L CA -0.109 54.525 54.840 -0.344 0.000 1.047 156 L CB 0.703 42.635 42.059 -0.211 0.000 1.402 156 L HN 0.171 nan 8.230 nan 0.000 0.550 157 E N 0.209 120.287 120.200 -0.204 0.000 2.110 157 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 157 E C 1.364 177.899 176.600 -0.109 0.000 0.988 157 E CA 0.960 57.279 56.400 -0.136 0.000 0.804 157 E CB 0.039 29.666 29.700 -0.122 0.000 0.745 157 E HN 0.338 nan 8.360 nan 0.000 0.458 158 N N 0.476 119.109 118.700 -0.112 0.000 2.461 158 N HA -0.014 4.726 4.740 -0.000 0.000 0.188 158 N C -0.197 175.252 175.510 -0.101 0.000 1.134 158 N CA 0.337 53.332 53.050 -0.093 0.000 0.878 158 N CB 0.178 38.617 38.487 -0.080 0.000 0.972 158 N HN 0.116 nan 8.380 nan 0.000 0.456 159 S N -0.271 115.366 115.700 -0.104 0.000 2.651 159 S HA 0.468 4.938 4.470 -0.000 0.000 0.291 159 S C -0.168 174.373 174.600 -0.098 0.000 1.141 159 S CA -0.891 57.245 58.200 -0.107 0.000 1.027 159 S CB 1.920 65.069 63.200 -0.085 0.000 1.043 159 S HN -0.007 nan 8.310 nan 0.000 0.530 160 L N 3.008 124.170 121.223 -0.101 0.000 2.380 160 L HA 0.443 4.784 4.340 -0.000 0.000 0.273 160 L C -2.031 174.793 176.870 -0.076 0.000 1.138 160 L CA -1.677 53.114 54.840 -0.082 0.000 0.832 160 L CB 0.057 42.067 42.059 -0.081 0.000 1.124 160 L HN 0.579 nan 8.230 nan 0.000 0.454 161 P HA -0.036 nan 4.420 nan 0.000 0.265 161 P C 0.941 178.196 177.300 -0.074 0.000 1.187 161 P CA 0.031 63.089 63.100 -0.071 0.000 0.766 161 P CB 0.619 32.285 31.700 -0.058 0.000 0.820 162 L N 1.988 123.153 121.223 -0.098 0.000 2.079 162 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 162 L C 2.518 179.351 176.870 -0.062 0.000 1.081 162 L CA 1.958 56.739 54.840 -0.098 0.000 0.752 162 L CB -0.992 40.962 42.059 -0.176 0.000 0.896 162 L HN 0.503 nan 8.230 nan 0.000 0.433 163 E N -0.011 120.154 120.200 -0.058 0.000 2.204 163 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 163 E C 2.065 178.641 176.600 -0.040 0.000 0.989 163 E CA 1.035 57.407 56.400 -0.045 0.000 0.824 163 E CB -0.284 29.386 29.700 -0.050 0.000 0.756 163 E HN 0.283 nan 8.360 nan 0.000 0.477 164 V N 1.371 121.260 119.914 -0.040 0.000 2.379 164 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 164 V C 2.423 178.501 176.094 -0.026 0.000 1.044 164 V CA 1.322 63.602 62.300 -0.034 0.000 1.036 164 V CB -0.064 31.738 31.823 -0.035 0.000 0.664 164 V HN 0.210 nan 8.190 nan 0.000 0.453 165 V N 0.084 119.983 119.914 -0.025 0.000 2.407 165 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 165 V C 2.560 178.654 176.094 -0.001 0.000 1.055 165 V CA 1.992 64.286 62.300 -0.011 0.000 1.049 165 V CB -0.842 30.978 31.823 -0.004 0.000 0.662 165 V HN 0.477 nan 8.190 nan 0.000 0.455 166 R N 0.239 120.737 120.500 -0.003 0.000 2.092 166 R HA -0.070 4.270 4.340 -0.000 0.000 0.231 166 R C 2.496 178.792 176.300 -0.007 0.000 1.119 166 R CA 1.377 57.480 56.100 0.004 0.000 0.970 166 R CB -0.757 29.544 30.300 0.001 0.000 0.864 166 R HN 0.587 nan 8.270 nan 0.000 0.440 167 G N 1.253 110.043 108.800 -0.017 0.000 2.402 167 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.216 167 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.216 167 G C 0.731 175.619 174.900 -0.019 0.000 1.162 167 G CA 0.612 45.699 45.100 -0.022 0.000 0.777 167 G HN 0.435 nan 8.290 nan 0.000 0.539 171 I N 1.041 121.592 120.570 -0.031 0.000 2.353 171 I HA 0.076 4.246 4.170 -0.000 0.000 0.248 171 I C 3.031 179.123 176.117 -0.042 0.000 1.119 171 I CA 0.689 61.967 61.300 -0.037 0.000 1.417 171 I CB -0.293 37.688 38.000 -0.032 0.000 1.078 171 I HN 0.149 nan 8.210 nan 0.000 0.421 172 R N 0.937 121.416 120.500 -0.036 0.000 2.070 172 R HA -0.123 4.217 4.340 -0.000 0.000 0.233 172 R C 2.333 178.606 176.300 -0.046 0.000 1.137 172 R CA 1.404 57.482 56.100 -0.037 0.000 0.945 172 R CB -0.660 29.619 30.300 -0.034 0.000 0.845 172 R HN 0.195 nan 8.270 nan 0.000 0.430 173 V N 1.735 121.622 119.914 -0.045 0.000 2.287 173 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 173 V C 2.210 178.270 176.094 -0.056 0.000 1.053 173 V CA 2.156 64.428 62.300 -0.047 0.000 1.027 173 V CB -0.779 31.020 31.823 -0.039 0.000 0.646 173 V HN 0.425 nan 8.190 nan 0.000 0.447 174 N N 0.384 119.048 118.700 -0.060 0.000 2.036 174 N HA -0.200 4.540 4.740 -0.000 0.000 0.195 174 N C 1.943 177.382 175.510 -0.119 0.000 1.037 174 N CA 2.180 55.182 53.050 -0.080 0.000 0.855 174 N CB -0.301 38.140 38.487 -0.077 0.000 1.033 174 N HN 0.429 nan 8.380 nan 0.000 0.423 175 S N 0.291 115.923 115.700 -0.113 0.000 2.359 175 S HA -0.132 4.338 4.470 -0.000 0.000 0.223 175 S C 1.984 176.501 174.600 -0.139 0.000 1.039 175 S CA 1.338 59.456 58.200 -0.137 0.000 1.042 175 S CB -0.638 62.512 63.200 -0.084 0.000 0.915 175 S HN 0.338 nan 8.310 nan 0.000 0.439 176 L N 1.493 122.663 121.223 -0.089 0.000 2.129 176 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 176 L C 2.542 179.361 176.870 -0.085 0.000 1.087 176 L CA 1.507 56.304 54.840 -0.071 0.000 0.757 176 L CB -1.460 40.571 42.059 -0.046 0.000 0.896 176 L HN 0.492 nan 8.230 nan 0.000 0.434 177 T N -3.395 111.103 114.554 -0.093 0.000 3.227 177 T HA -0.039 4.311 4.350 -0.000 0.000 0.257 177 T C 1.567 176.206 174.700 -0.102 0.000 1.162 177 T CA 0.309 62.365 62.100 -0.074 0.000 1.051 177 T CB -0.227 68.612 68.868 -0.049 0.000 0.953 177 T HN 0.317 nan 8.240 nan 0.000 0.535 178 R N 0.372 120.750 120.500 -0.204 0.000 2.280 178 R HA 0.389 4.729 4.340 -0.000 0.000 0.195 178 R C 1.741 177.852 176.300 -0.315 0.000 0.935 178 R CA 0.404 56.307 56.100 -0.328 0.000 1.033 178 R CB 0.040 29.948 30.300 -0.653 0.000 0.964 178 R HN 0.461 nan 8.270 nan 0.000 0.489 179 G N 0.772 109.477 108.800 -0.160 0.000 2.198 179 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.257 179 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.257 179 G C 0.142 175.101 174.900 0.099 0.000 1.042 179 G CA 0.584 45.670 45.100 -0.024 0.000 0.791 179 G HN 0.602 nan 8.290 nan 0.000 0.502 180 H N -1.282 117.783 119.070 -0.007 0.000 2.729 180 H HA 0.213 4.769 4.556 0.000 0.000 0.263 180 H C 2.343 177.673 175.328 0.003 0.000 0.961 180 H CA 0.593 56.635 56.048 -0.011 0.000 1.217 180 H CB 0.678 30.426 29.762 -0.023 0.000 1.447 180 H HN 0.425 nan 8.280 nan 0.000 0.496 181 S N 0.074 115.848 115.700 0.124 0.000 2.492 181 S HA 0.284 4.754 4.470 -0.000 0.000 0.218 181 S C 0.948 175.590 174.600 0.069 0.000 1.016 181 S CA 0.457 58.705 58.200 0.081 0.000 0.916 181 S CB 0.834 64.065 63.200 0.051 0.000 0.791 181 S HN 0.528 nan 8.310 nan 0.000 0.513 182 A N 1.006 123.866 122.820 0.067 0.000 2.740 182 A HA -0.092 4.228 4.320 -0.000 0.000 0.291 182 A C -0.141 177.468 177.584 0.042 0.000 1.432 182 A CA 0.399 52.475 52.037 0.066 0.000 0.728 182 A CB -1.914 17.141 19.000 0.092 0.000 1.091 182 A HN 0.692 nan 8.150 nan 0.000 0.431 183 V N 2.372 122.302 119.914 0.026 0.000 2.487 183 V HA 0.637 4.757 4.120 -0.000 0.000 0.298 183 V C 0.712 176.811 176.094 0.008 0.000 1.028 183 V CA -0.869 61.438 62.300 0.012 0.000 0.860 183 V CB 1.318 33.141 31.823 0.000 0.000 0.991 183 V HN 0.716 nan 8.190 nan 0.000 0.427 184 R N 4.406 124.911 120.500 0.008 0.000 2.538 184 R HA 0.024 4.364 4.340 -0.000 0.000 0.282 184 R C 1.090 177.391 176.300 0.001 0.000 1.009 184 R CA -0.097 56.007 56.100 0.008 0.000 1.063 184 R CB 0.331 30.637 30.300 0.008 0.000 0.945 184 R HN 0.781 nan 8.270 nan 0.000 0.414 185 L N 4.913 126.138 121.223 0.003 0.000 2.189 185 L HA -0.194 4.146 4.340 -0.000 0.000 0.214 185 L C 1.982 178.851 176.870 -0.001 0.000 1.097 185 L CA 1.536 56.376 54.840 -0.000 0.000 0.764 185 L CB -0.255 41.806 42.059 0.004 0.000 0.900 185 L HN 0.637 nan 8.230 nan 0.000 0.436 186 V N -1.626 118.290 119.914 0.003 0.000 2.490 186 V HA -0.210 3.910 4.120 -0.000 0.000 0.250 186 V C 2.276 178.368 176.094 -0.004 0.000 1.061 186 V CA 1.813 64.116 62.300 0.005 0.000 1.064 186 V CB 0.034 31.863 31.823 0.010 0.000 0.670 186 V HN 0.330 nan 8.190 nan 0.000 0.461 187 V N -0.195 119.710 119.914 -0.014 0.000 2.323 187 V HA -0.147 3.973 4.120 -0.000 0.000 0.244 187 V C 2.397 178.463 176.094 -0.046 0.000 1.041 187 V CA 1.748 64.028 62.300 -0.034 0.000 1.025 187 V CB -0.587 31.215 31.823 -0.033 0.000 0.656 187 V HN 0.468 nan 8.190 nan 0.000 0.451 188 L N 0.085 121.287 121.223 -0.034 0.000 2.127 188 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 188 L C 2.355 179.205 176.870 -0.033 0.000 1.089 188 L CA 1.786 56.603 54.840 -0.037 0.000 0.757 188 L CB -0.952 41.090 42.059 -0.028 0.000 0.899 188 L HN 0.395 nan 8.230 nan 0.000 0.434 189 E N -0.870 119.318 120.200 -0.019 0.000 2.216 189 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 189 E C 2.307 178.908 176.600 0.002 0.000 0.988 189 E CA 0.754 57.151 56.400 -0.006 0.000 0.834 189 E CB -0.132 29.573 29.700 0.008 0.000 0.772 189 E HN 0.503 nan 8.360 nan 0.000 0.479 190 A N 1.100 123.909 122.820 -0.019 0.000 1.933 190 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 190 A C 2.125 179.650 177.584 -0.098 0.000 1.175 190 A CA 1.000 53.020 52.037 -0.028 0.000 0.628 190 A CB -0.484 18.463 19.000 -0.088 0.000 0.814 190 A HN 0.133 nan 8.150 nan 0.000 0.444 191 L N -0.229 120.914 121.223 -0.133 0.000 2.072 191 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 191 L C 2.956 179.817 176.870 -0.016 0.000 1.079 191 L CA 1.728 56.484 54.840 -0.141 0.000 0.752 191 L CB -0.920 41.069 42.059 -0.116 0.000 0.906 191 L HN 0.620 nan 8.230 nan 0.000 0.436 192 T N -3.777 110.772 114.554 -0.008 0.000 2.951 192 T HA -0.082 4.268 4.350 -0.000 0.000 0.268 192 T C 1.698 176.401 174.700 0.005 0.000 1.073 192 T CA 0.942 63.042 62.100 -0.000 0.000 1.134 192 T CB -0.316 68.543 68.868 -0.015 0.000 0.884 192 T HN 0.199 nan 8.240 nan 0.000 0.479 193 N N 0.644 119.369 118.700 0.041 0.000 2.216 193 N HA 0.069 4.809 4.740 -0.000 0.000 0.183 193 N C 1.357 176.926 175.510 0.099 0.000 1.017 193 N CA 0.728 53.779 53.050 0.002 0.000 0.861 193 N CB -0.486 38.074 38.487 0.122 0.000 0.986 193 N HN 0.330 nan 8.380 nan 0.000 0.428 194 F N 1.587 121.506 119.950 -0.052 0.000 2.113 194 F HA 0.010 4.537 4.527 0.000 0.000 0.297 194 F C 2.288 178.056 175.800 -0.053 0.000 1.103 194 F CA 0.532 58.506 58.000 -0.044 0.000 1.248 194 F CB -0.816 38.167 39.000 -0.030 0.000 0.999 194 F HN -0.047 nan 8.300 nan 0.000 0.475 195 L N -0.195 121.119 121.223 0.151 0.000 1.989 195 L HA -0.288 4.052 4.340 -0.000 0.000 0.211 195 L C 2.019 178.897 176.870 0.013 0.000 1.071 195 L CA 1.522 56.399 54.840 0.062 0.000 0.749 195 L CB -0.728 41.352 42.059 0.035 0.000 0.890 195 L HN 0.129 nan 8.230 nan 0.000 0.431 196 N N -1.186 117.490 118.700 -0.040 0.000 2.512 196 N HA -0.116 4.624 4.740 -0.000 0.000 0.183 196 N C 1.312 176.789 175.510 -0.055 0.000 1.073 196 N CA 0.941 53.947 53.050 -0.075 0.000 0.911 196 N CB -0.190 38.213 38.487 -0.139 0.000 0.964 196 N HN 0.549 nan 8.380 nan 0.000 0.447 197 H N -1.269 117.781 119.070 -0.033 0.000 2.586 197 H HA 0.238 4.794 4.556 -0.000 0.000 0.273 197 H C 0.940 176.158 175.328 -0.184 0.000 0.997 197 H CA 0.114 56.095 56.048 -0.112 0.000 1.177 197 H CB 0.656 30.221 29.762 -0.330 0.000 1.471 197 H HN 0.207 nan 8.280 nan 0.000 0.538 198 G N 1.547 110.346 108.800 -0.001 0.000 2.143 198 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.248 198 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.248 198 G C 0.093 174.948 174.900 -0.076 0.000 0.991 198 G CA 0.077 45.175 45.100 -0.004 0.000 0.689 198 G HN 0.315 nan 8.290 nan 0.000 0.522 199 I N 1.991 122.438 120.570 -0.206 0.000 2.322 199 I HA 0.331 4.501 4.170 -0.000 0.000 0.292 199 I C 0.125 176.214 176.117 -0.046 0.000 1.060 199 I CA 0.058 61.174 61.300 -0.306 0.000 1.309 199 I CB 1.126 38.624 38.000 -0.837 0.000 1.415 199 I HN 0.006 nan 8.210 nan 0.000 0.492 200 T N 7.228 121.818 114.554 0.061 0.000 2.833 200 T HA 0.329 4.679 4.350 -0.000 0.000 0.297 200 T C -2.413 172.369 174.700 0.136 0.000 1.015 200 T CA -1.458 60.716 62.100 0.124 0.000 0.963 200 T CB 1.507 70.420 68.868 0.075 0.000 0.955 200 T HN 0.228 nan 8.240 nan 0.000 0.449 201 P HA 0.145 nan 4.420 nan 0.000 0.266 201 P C -0.460 176.889 177.300 0.082 0.000 1.193 201 P CA -0.168 63.024 63.100 0.153 0.000 0.770 201 P CB 0.497 32.299 31.700 0.170 0.000 0.836 202 I N 2.812 123.421 120.570 0.064 0.000 2.306 202 I HA 0.194 4.364 4.170 -0.000 0.000 0.288 202 I C 0.312 176.379 176.117 -0.083 0.000 1.036 202 I CA -0.637 60.667 61.300 0.007 0.000 1.221 202 I CB 0.782 38.803 38.000 0.035 0.000 1.385 202 I HN 0.102 nan 8.210 nan 0.000 0.472 203 V N 7.303 127.127 119.914 -0.151 0.000 2.667 203 V HA 0.679 4.799 4.120 -0.000 0.000 0.308 203 V C -2.486 173.387 176.094 -0.370 0.000 1.048 203 V CA -2.281 59.805 62.300 -0.357 0.000 0.928 203 V CB 1.786 33.485 31.823 -0.207 0.000 1.004 203 V HN 0.425 nan 8.190 nan 0.000 0.444 204 P HA 0.061 nan 4.420 nan 0.000 0.268 204 P C 0.538 177.719 177.300 -0.198 0.000 1.204 204 P CA -0.089 62.813 63.100 -0.330 0.000 0.768 204 P CB 1.312 32.800 31.700 -0.354 0.000 0.842 205 L N 3.659 124.801 121.223 -0.134 0.000 2.056 205 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 205 L C 1.219 178.048 176.870 -0.068 0.000 1.078 205 L CA 1.802 56.587 54.840 -0.092 0.000 0.749 205 L CB -0.321 41.692 42.059 -0.077 0.000 0.901 205 L HN 0.347 nan 8.230 nan 0.000 0.433 206 R N -2.254 118.209 120.500 -0.062 0.000 2.828 206 R HA 0.593 4.933 4.340 -0.000 0.000 0.264 206 R C 0.372 176.656 176.300 -0.026 0.000 1.022 206 R CA -0.012 56.066 56.100 -0.037 0.000 1.021 206 R CB 1.253 31.535 30.300 -0.030 0.000 1.163 206 R HN 0.140 nan 8.270 nan 0.000 0.494 207 G N -0.044 108.752 108.800 -0.007 0.000 2.813 207 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.194 207 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.194 207 G C 0.039 174.950 174.900 0.018 0.000 1.010 207 G CA -0.041 45.065 45.100 0.011 0.000 0.771 207 G HN 0.600 nan 8.290 nan 0.000 0.485 208 T N 1.108 115.670 114.554 0.013 0.000 2.875 208 T HA 0.601 4.951 4.350 -0.000 0.000 0.284 208 T C 1.444 176.155 174.700 0.018 0.000 0.995 208 T CA -0.115 61.995 62.100 0.017 0.000 1.060 208 T CB 0.775 69.652 68.868 0.015 0.000 0.967 208 T HN 0.812 nan 8.240 nan 0.000 0.476 209 I N 1.123 121.706 120.570 0.023 0.000 3.927 209 I HA 0.383 4.553 4.170 -0.000 0.000 0.332 209 I C 0.550 176.692 176.117 0.041 0.000 1.485 209 I CA -0.785 60.533 61.300 0.030 0.000 1.131 209 I CB -0.544 37.474 38.000 0.031 0.000 1.092 209 I HN 0.547 nan 8.210 nan 0.000 0.410 215 L N 0.502 121.721 121.223 -0.007 0.000 2.046 215 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 215 L C 2.522 179.388 176.870 -0.008 0.000 1.077 215 L CA 1.853 56.681 54.840 -0.020 0.000 0.747 215 L CB -0.611 41.425 42.059 -0.039 0.000 0.896 215 L HN 0.197 nan 8.230 nan 0.000 0.432 216 S N -0.255 115.458 115.700 0.021 0.000 2.343 216 S HA -0.083 4.387 4.470 -0.000 0.000 0.219 216 S C -0.330 174.379 174.600 0.182 0.000 1.033 216 S CA 1.728 59.974 58.200 0.076 0.000 1.014 216 S CB -1.090 62.169 63.200 0.099 0.000 0.915 216 S HN 0.287 nan 8.310 nan 0.000 0.435 217 P HA -0.065 nan 4.420 nan 0.000 0.216 217 P C 1.593 178.965 177.300 0.120 0.000 1.153 217 P CA 0.832 64.005 63.100 0.122 0.000 0.848 217 P CB -0.177 31.537 31.700 0.024 0.000 0.787 218 L N 0.133 121.391 121.223 0.057 0.000 2.079 218 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 218 L C 2.733 179.609 176.870 0.009 0.000 1.081 218 L CA 1.721 56.575 54.840 0.023 0.000 0.752 218 L CB -1.725 40.336 42.059 0.003 0.000 0.896 218 L HN -0.061 nan 8.230 nan 0.000 0.433 219 S N -1.961 113.736 115.700 -0.005 0.000 2.382 219 S HA -0.191 4.279 4.470 -0.000 0.000 0.228 219 S C 1.859 176.383 174.600 -0.127 0.000 1.027 219 S CA 0.956 59.098 58.200 -0.097 0.000 0.991 219 S CB -0.341 62.749 63.200 -0.184 0.000 0.823 219 S HN 0.452 nan 8.310 nan 0.000 0.469 220 Y N 1.149 121.401 120.300 -0.080 0.000 2.403 220 Y HA 0.029 4.579 4.550 -0.000 0.000 0.291 220 Y C 1.879 177.746 175.900 -0.054 0.000 1.143 220 Y CA 0.769 58.823 58.100 -0.077 0.000 1.257 220 Y CB -0.240 38.183 38.460 -0.062 0.000 0.984 220 Y HN 0.278 nan 8.280 nan 0.000 0.550 221 I N -1.411 119.205 120.570 0.078 0.000 2.584 221 I HA -0.165 4.005 4.170 -0.000 0.000 0.255 221 I C 2.456 178.537 176.117 -0.061 0.000 1.145 221 I CA 0.768 62.074 61.300 0.011 0.000 1.462 221 I CB -0.383 37.612 38.000 -0.009 0.000 1.102 221 I HN 0.134 nan 8.210 nan 0.000 0.433 222 A N 1.011 123.795 122.820 -0.061 0.000 1.873 222 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 222 A C 2.554 180.103 177.584 -0.058 0.000 1.186 222 A CA 1.674 53.665 52.037 -0.076 0.000 0.616 222 A CB -0.754 18.204 19.000 -0.070 0.000 0.823 222 A HN 0.379 nan 8.150 nan 0.000 0.442 223 A N -0.008 122.775 122.820 -0.061 0.000 1.908 223 A HA 0.125 4.445 4.320 -0.000 0.000 0.218 223 A C 2.507 180.124 177.584 0.056 0.000 1.181 223 A CA 2.211 54.241 52.037 -0.012 0.000 0.627 223 A CB -1.061 17.840 19.000 -0.166 0.000 0.818 223 A HN 1.047 nan 8.150 nan 0.000 0.445 224 A N 0.840 123.688 122.820 0.046 0.000 1.865 224 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 224 A C 2.107 179.762 177.584 0.118 0.000 1.191 224 A CA 1.730 53.847 52.037 0.133 0.000 0.623 224 A CB -0.895 18.215 19.000 0.183 0.000 0.826 224 A HN 1.066 nan 8.150 nan 0.000 0.444 225 I N -1.623 118.862 120.570 -0.142 0.000 3.001 225 I HA -0.035 4.135 4.170 -0.000 0.000 0.268 225 I C 1.482 177.578 176.117 -0.035 0.000 1.267 225 I CA 1.545 62.687 61.300 -0.264 0.000 1.472 225 I CB -0.154 37.536 38.000 -0.516 0.000 1.089 225 I HN 0.286 nan 8.210 nan 0.000 0.468 226 S N 0.357 116.065 115.700 0.013 0.000 2.568 226 S HA 0.433 4.903 4.470 -0.000 0.000 0.232 226 S C 1.259 175.905 174.600 0.076 0.000 0.975 226 S CA 0.060 58.281 58.200 0.036 0.000 0.949 226 S CB -0.042 63.169 63.200 0.018 0.000 0.829 226 S HN 0.781 nan 8.310 nan 0.000 0.479 227 G N 2.658 111.531 108.800 0.122 0.000 2.374 227 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.289 227 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.289 227 G C -0.223 174.758 174.900 0.134 0.000 1.004 227 G CA 0.079 45.263 45.100 0.139 0.000 1.292 227 G HN 0.761 nan 8.290 nan 0.000 0.502 228 H N 1.738 120.845 119.070 0.062 0.000 2.683 228 H HA 0.233 4.789 4.556 -0.000 0.000 0.339 228 H C -0.831 174.551 175.328 0.090 0.000 1.081 228 H CA -1.220 54.855 56.048 0.045 0.000 1.432 228 H CB 1.262 31.027 29.762 0.005 0.000 1.462 228 H HN 0.133 nan 8.280 nan 0.000 0.557 229 P HA -0.176 nan 4.420 nan 0.000 0.216 229 P C 0.804 178.347 177.300 0.405 0.000 1.157 229 P CA 1.519 64.733 63.100 0.190 0.000 0.880 229 P CB 0.261 31.989 31.700 0.047 0.000 0.791 230 D N -1.233 119.459 120.400 0.487 0.000 2.325 230 D HA 0.025 4.665 4.640 -0.000 0.000 0.234 230 D C -0.182 176.161 176.300 0.073 0.000 1.122 230 D CA 0.121 54.285 54.000 0.272 0.000 0.850 230 D CB -0.536 40.397 40.800 0.222 0.000 0.921 230 D HN -0.074 nan 8.370 nan 0.000 0.513 231 S N 0.238 116.005 115.700 0.111 0.000 2.430 231 S HA 0.297 4.767 4.470 -0.000 0.000 0.289 231 S C -0.143 174.429 174.600 -0.048 0.000 1.143 231 S CA -0.557 57.663 58.200 0.034 0.000 1.067 231 S CB 0.398 63.661 63.200 0.104 0.000 0.964 231 S HN 0.011 nan 8.310 nan 0.000 0.485 232 K N 3.103 123.457 120.400 -0.077 0.000 2.164 232 K HA 0.619 4.939 4.320 -0.000 0.000 0.258 232 K C -0.437 176.168 176.600 0.009 0.000 0.951 232 K CA -0.832 55.384 56.287 -0.118 0.000 0.844 232 K CB 1.767 34.164 32.500 -0.171 0.000 1.099 232 K HN 0.546 nan 8.250 nan 0.000 0.435 233 V N -1.049 118.877 119.914 0.021 0.000 3.074 233 V HA 0.495 4.615 4.120 -0.000 0.000 0.314 233 V C -0.762 175.378 176.094 0.077 0.000 1.117 233 V CA -0.857 61.480 62.300 0.062 0.000 1.014 233 V CB 1.896 33.738 31.823 0.032 0.000 1.057 233 V HN 0.857 nan 8.190 nan 0.000 0.438 234 H N 1.240 120.308 119.070 -0.003 0.000 2.529 234 H HA 0.883 5.439 4.556 0.000 0.000 0.348 234 H C -1.500 173.813 175.328 -0.024 0.000 1.152 234 H CA -0.318 55.735 56.048 0.009 0.000 1.202 234 H CB 1.971 31.755 29.762 0.035 0.000 1.562 234 H HN 0.851 nan 8.280 nan 0.000 0.515 235 V N 4.497 124.113 119.914 -0.496 0.000 3.225 235 V HA 0.261 4.381 4.120 -0.000 0.000 0.293 235 V C -1.517 174.415 176.094 -0.271 0.000 1.405 235 V CA -0.695 61.450 62.300 -0.258 0.000 1.038 235 V CB 2.378 34.102 31.823 -0.164 0.000 1.123 235 V HN 0.574 nan 8.190 nan 0.000 0.447 236 V N 4.899 124.789 119.914 -0.041 0.000 2.350 236 V HA 0.481 4.601 4.120 -0.000 0.000 0.276 236 V C -0.166 176.033 176.094 0.175 0.000 1.028 236 V CA -0.347 61.978 62.300 0.042 0.000 0.860 236 V CB 1.000 32.873 31.823 0.084 0.000 0.990 236 V HN 0.884 nan 8.190 nan 0.000 0.453 237 H N 5.178 124.262 119.070 0.022 0.000 2.595 237 H HA 0.234 4.790 4.556 0.000 0.000 0.313 237 H C -0.131 175.196 175.328 -0.002 0.000 1.023 237 H CA -0.530 55.536 56.048 0.031 0.000 1.218 237 H CB 0.803 30.573 29.762 0.013 0.000 1.403 237 H HN 0.755 nan 8.280 nan 0.000 0.477 238 E N 3.748 123.845 120.200 -0.172 0.000 2.202 238 E HA -0.258 4.092 4.350 -0.000 0.000 0.169 238 E C 1.031 177.582 176.600 -0.080 0.000 1.536 238 E CA 1.199 57.491 56.400 -0.180 0.000 0.664 238 E CB -1.238 28.268 29.700 -0.322 0.000 1.064 238 E HN 1.218 nan 8.360 nan 0.000 0.327 239 G N 0.792 109.579 108.800 -0.022 0.000 2.527 239 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.218 239 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.218 239 G C 0.249 175.161 174.900 0.020 0.000 1.177 239 G CA 0.654 45.754 45.100 -0.001 0.000 0.695 239 G HN 0.534 nan 8.290 nan 0.000 0.517 240 K N 1.469 121.881 120.400 0.020 0.000 2.156 240 K HA 0.727 5.047 4.320 -0.000 0.000 0.250 240 K C -0.405 176.214 176.600 0.031 0.000 0.955 240 K CA -0.779 55.527 56.287 0.032 0.000 0.855 240 K CB 1.963 34.477 32.500 0.023 0.000 1.101 240 K HN 0.400 nan 8.250 nan 0.000 0.434 241 E N 1.513 121.729 120.200 0.028 0.000 2.343 241 E HA 0.243 4.593 4.350 -0.000 0.000 0.269 241 E C -0.932 175.632 176.600 -0.060 0.000 1.047 241 E CA -0.618 55.754 56.400 -0.046 0.000 0.874 241 E CB 1.229 30.959 29.700 0.051 0.000 1.033 241 E HN 0.397 nan 8.360 nan 0.000 0.409 242 K N 1.499 121.797 120.400 -0.169 0.000 2.536 242 K HA 0.521 4.841 4.320 -0.000 0.000 0.269 242 K C -1.023 175.511 176.600 -0.109 0.000 0.965 242 K CA -0.654 55.578 56.287 -0.092 0.000 0.860 242 K CB 1.912 34.378 32.500 -0.056 0.000 1.423 242 K HN 0.367 nan 8.250 nan 0.000 0.438 243 I N 3.965 124.521 120.570 -0.023 0.000 2.420 243 I HA 0.299 4.469 4.170 -0.000 0.000 0.282 243 I C -1.077 175.043 176.117 0.004 0.000 1.019 243 I CA -0.893 60.416 61.300 0.015 0.000 1.130 243 I CB 0.807 38.858 38.000 0.085 0.000 1.262 243 I HN 0.378 nan 8.210 nan 0.000 0.454 244 L N 3.428 124.656 121.223 0.007 0.000 2.303 244 L HA 0.652 4.992 4.340 -0.000 0.000 0.256 244 L C -0.832 176.091 176.870 0.088 0.000 1.034 244 L CA -1.087 53.800 54.840 0.078 0.000 0.832 244 L CB 0.308 42.402 42.059 0.058 0.000 1.403 244 L HN 0.152 nan 8.230 nan 0.000 0.419 245 Y N 0.506 120.813 120.300 0.011 0.000 2.578 245 Y HA 0.345 4.895 4.550 0.000 0.000 0.339 245 Y C 1.740 177.662 175.900 0.036 0.000 1.231 245 Y CA 0.809 58.931 58.100 0.037 0.000 1.461 245 Y CB 0.738 39.220 38.460 0.037 0.000 1.323 245 Y HN 0.869 nan 8.280 nan 0.000 0.590 246 A N 4.213 127.139 122.820 0.178 0.000 1.927 246 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 246 A C 2.261 179.932 177.584 0.146 0.000 1.185 246 A CA 2.039 54.171 52.037 0.158 0.000 0.639 246 A CB -0.434 18.693 19.000 0.212 0.000 0.820 246 A HN 0.890 nan 8.150 nan 0.000 0.451 247 R N -0.671 119.927 120.500 0.164 0.000 2.075 247 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 247 R C 2.225 178.575 176.300 0.083 0.000 1.126 247 R CA 1.384 57.554 56.100 0.117 0.000 0.963 247 R CB -0.527 29.831 30.300 0.098 0.000 0.858 247 R HN 0.795 nan 8.270 nan 0.000 0.435 248 E N 1.350 121.605 120.200 0.091 0.000 2.153 248 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 248 E C 0.507 177.122 176.600 0.026 0.000 0.988 248 E CA 0.707 57.136 56.400 0.049 0.000 0.811 248 E CB 0.112 29.851 29.700 0.065 0.000 0.746 248 E HN 0.333 nan 8.360 nan 0.000 0.466 252 L N -0.026 121.203 121.223 0.010 0.000 2.353 252 L HA 0.107 4.447 4.340 -0.000 0.000 0.220 252 L C 1.032 177.683 176.870 -0.366 0.000 1.133 252 L CA 1.812 56.559 54.840 -0.155 0.000 0.798 252 L CB -0.670 41.234 42.059 -0.258 0.000 0.922 252 L HN 0.496 nan 8.230 nan 0.000 0.445 253 F N -1.825 118.028 119.950 -0.162 0.000 2.698 253 F HA 0.296 4.823 4.527 0.000 0.000 0.304 253 F C 1.240 176.962 175.800 -0.131 0.000 1.108 253 F CA -0.653 57.198 58.000 -0.247 0.000 1.263 253 F CB -0.441 38.262 39.000 -0.494 0.000 1.013 253 F HN 0.007 nan 8.300 nan 0.000 0.532 254 N N 1.371 120.105 118.700 0.057 0.000 2.708 254 N HA -0.219 4.521 4.740 -0.000 0.000 0.251 254 N C -0.467 175.110 175.510 0.112 0.000 1.123 254 N CA 0.446 53.535 53.050 0.065 0.000 0.739 254 N CB -0.990 37.526 38.487 0.048 0.000 1.113 254 N HN 0.308 nan 8.380 nan 0.000 0.561 255 L N 0.532 121.842 121.223 0.145 0.000 2.375 255 L HA 0.317 4.657 4.340 -0.000 0.000 0.271 255 L C 0.662 177.613 176.870 0.135 0.000 1.107 255 L CA -0.394 54.547 54.840 0.169 0.000 0.806 255 L CB 0.971 43.160 42.059 0.218 0.000 1.146 255 L HN 0.023 nan 8.230 nan 0.000 0.447 256 E N 2.514 122.791 120.200 0.127 0.000 2.151 256 E HA 0.347 4.697 4.350 -0.000 0.000 0.275 256 E C -2.307 174.357 176.600 0.106 0.000 0.936 256 E CA -1.604 54.855 56.400 0.098 0.000 0.777 256 E CB 1.163 30.907 29.700 0.074 0.000 1.108 256 E HN 0.231 nan 8.360 nan 0.000 0.401 257 P HA -0.009 nan 4.420 nan 0.000 0.267 257 P C -0.762 176.571 177.300 0.057 0.000 1.205 257 P CA -0.302 62.853 63.100 0.092 0.000 0.765 257 P CB 0.383 32.132 31.700 0.082 0.000 0.828 258 V N 1.809 121.746 119.914 0.038 0.000 3.185 258 V HA 0.323 4.443 4.120 -0.000 0.000 0.305 258 V C -0.050 176.052 176.094 0.013 0.000 1.090 258 V CA -0.317 61.993 62.300 0.017 0.000 1.107 258 V CB 1.123 32.941 31.823 -0.008 0.000 1.061 258 V HN 0.215 nan 8.190 nan 0.000 0.480 259 V N 4.245 124.164 119.914 0.008 0.000 2.327 259 V HA 0.326 4.446 4.120 -0.000 0.000 0.272 259 V C 0.065 176.160 176.094 0.001 0.000 1.019 259 V CA -0.464 61.839 62.300 0.005 0.000 0.814 259 V CB 0.760 32.588 31.823 0.007 0.000 1.040 259 V HN 0.821 nan 8.190 nan 0.000 0.440 260 L N 3.886 125.107 121.223 -0.003 0.000 2.615 260 L HA 0.176 4.516 4.340 -0.000 0.000 0.284 260 L C 1.324 178.194 176.870 -0.000 0.000 1.237 260 L CA 0.851 55.688 54.840 -0.004 0.000 0.905 260 L CB 0.022 42.076 42.059 -0.008 0.000 1.149 260 L HN 0.700 nan 8.230 nan 0.000 0.499 261 G N 3.803 112.604 108.800 0.001 0.000 2.606 261 G HA2 0.513 4.473 3.960 -0.000 0.000 0.262 261 G HA3 0.513 4.473 3.960 -0.000 0.000 0.262 261 G C -2.678 172.225 174.900 0.005 0.000 1.394 261 G CA -1.218 43.884 45.100 0.003 0.000 1.044 261 G HN 0.381 nan 8.290 nan 0.000 0.553 262 P HA 0.086 nan 4.420 nan 0.000 0.265 262 P C 0.538 177.846 177.300 0.013 0.000 1.193 262 P CA 0.205 63.309 63.100 0.008 0.000 0.765 262 P CB 1.003 32.706 31.700 0.004 0.000 0.823 263 K N 2.383 122.793 120.400 0.016 0.000 4.770 263 K HA -0.292 4.028 4.320 -0.000 0.000 0.417 263 K C 1.489 178.100 176.600 0.018 0.000 0.474 263 K CA 2.100 58.401 56.287 0.022 0.000 1.797 263 K CB -1.620 30.898 32.500 0.030 0.000 1.001 263 K HN 0.537 nan 8.250 nan 0.000 0.567 264 E N -0.663 119.545 120.200 0.013 0.000 2.170 264 E HA -0.251 4.099 4.350 -0.000 0.000 0.229 264 E C 1.804 178.404 176.600 -0.001 0.000 1.074 264 E CA 2.370 58.774 56.400 0.006 0.000 0.930 264 E CB -0.792 28.908 29.700 0.001 0.000 0.806 264 E HN 0.656 nan 8.360 nan 0.000 0.478 265 G N 1.167 109.965 108.800 -0.004 0.000 2.476 265 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 265 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 265 G C 1.700 176.595 174.900 -0.009 0.000 1.164 265 G CA 0.932 46.025 45.100 -0.012 0.000 0.768 265 G HN 0.260 nan 8.290 nan 0.000 0.560 266 L N 0.633 121.858 121.223 0.004 0.000 2.291 266 L HA 0.156 4.496 4.340 -0.000 0.000 0.214 266 L C 2.783 179.663 176.870 0.016 0.000 1.120 266 L CA 1.088 55.934 54.840 0.011 0.000 0.799 266 L CB -0.209 41.865 42.059 0.025 0.000 0.925 266 L HN 0.292 nan 8.230 nan 0.000 0.446 267 G N -0.672 108.138 108.800 0.017 0.000 2.464 267 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 267 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 267 G C 1.485 176.391 174.900 0.010 0.000 1.138 267 G CA 0.259 45.373 45.100 0.022 0.000 0.793 267 G HN 0.313 nan 8.290 nan 0.000 0.539 268 L N 1.013 122.234 121.223 -0.004 0.000 2.102 268 L HA 0.041 4.381 4.340 -0.000 0.000 0.202 268 L C 2.831 179.690 176.870 -0.019 0.000 1.076 268 L CA 1.075 55.905 54.840 -0.017 0.000 0.761 268 L CB 0.016 42.057 42.059 -0.030 0.000 0.921 268 L HN 0.196 nan 8.230 nan 0.000 0.444 269 V N -2.618 117.283 119.914 -0.022 0.000 3.461 269 V HA 0.025 4.145 4.120 -0.000 0.000 0.267 269 V C 0.925 177.011 176.094 -0.014 0.000 1.186 269 V CA 0.167 62.452 62.300 -0.026 0.000 1.154 269 V CB -0.897 30.898 31.823 -0.047 0.000 0.802 269 V HN 0.384 nan 8.190 nan 0.000 0.474 270 N N 1.219 119.919 118.700 0.001 0.000 2.479 270 N HA 0.546 5.286 4.740 -0.000 0.000 0.285 270 N C 0.094 175.631 175.510 0.044 0.000 1.075 270 N CA 1.264 54.325 53.050 0.019 0.000 0.967 270 N CB 1.610 40.120 38.487 0.037 0.000 1.137 270 N HN 0.694 nan 8.380 nan 0.000 0.472 271 G N 0.958 109.799 108.800 0.069 0.000 2.359 271 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.303 271 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.303 271 G C -0.555 174.391 174.900 0.076 0.000 1.293 271 G CA -0.021 45.130 45.100 0.087 0.000 0.964 271 G HN 0.580 nan 8.290 nan 0.000 0.531 272 T N -2.780 111.813 114.554 0.064 0.000 3.415 272 T HA 0.651 5.001 4.350 -0.000 0.000 0.282 272 T C 1.624 176.338 174.700 0.024 0.000 1.007 272 T CA 1.042 63.173 62.100 0.051 0.000 0.958 272 T CB 0.773 69.680 68.868 0.064 0.000 1.171 272 T HN 1.907 nan 8.240 nan 0.000 0.500 273 A N 1.215 124.043 122.820 0.013 0.000 1.933 273 A HA 0.083 4.403 4.320 -0.000 0.000 0.218 273 A C 2.231 179.814 177.584 -0.003 0.000 1.175 273 A CA 1.606 53.642 52.037 -0.001 0.000 0.628 273 A CB -0.839 18.156 19.000 -0.008 0.000 0.814 273 A HN 0.493 nan 8.150 nan 0.000 0.444 274 V N -0.446 119.469 119.914 0.002 0.000 2.307 274 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 274 V C 2.741 178.834 176.094 -0.002 0.000 1.045 274 V CA 2.230 64.528 62.300 -0.002 0.000 1.024 274 V CB -1.013 30.809 31.823 -0.001 0.000 0.651 274 V HN 0.530 nan 8.190 nan 0.000 0.449 275 S N 0.368 116.071 115.700 0.006 0.000 2.353 275 S HA -0.214 4.256 4.470 -0.000 0.000 0.222 275 S C 2.261 176.861 174.600 0.001 0.000 1.035 275 S CA 1.652 59.856 58.200 0.007 0.000 1.025 275 S CB -0.609 62.601 63.200 0.018 0.000 0.902 275 S HN 0.654 nan 8.310 nan 0.000 0.440 276 A N 0.972 123.792 122.820 0.000 0.000 1.940 276 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 276 A C 1.618 179.193 177.584 -0.014 0.000 1.176 276 A CA 1.361 53.394 52.037 -0.008 0.000 0.631 276 A CB -0.826 18.167 19.000 -0.011 0.000 0.814 276 A HN 0.469 nan 8.150 nan 0.000 0.446 280 T N 1.261 115.811 114.554 -0.006 0.000 2.708 280 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 280 T C 1.738 176.455 174.700 0.029 0.000 1.037 280 T CA 1.921 64.023 62.100 0.003 0.000 1.146 280 T CB -0.319 68.542 68.868 -0.012 0.000 0.865 280 T HN 0.187 nan 8.240 nan 0.000 0.435 281 L N 1.188 122.411 121.223 0.001 0.000 2.131 281 L HA 0.048 4.388 4.340 -0.000 0.000 0.210 281 L C 2.738 179.631 176.870 0.038 0.000 1.092 281 L CA 1.360 56.195 54.840 -0.008 0.000 0.759 281 L CB -1.256 40.780 42.059 -0.038 0.000 0.903 281 L HN 0.249 nan 8.230 nan 0.000 0.435 282 A N -1.190 121.644 122.820 0.024 0.000 1.929 282 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 282 A C 2.228 179.822 177.584 0.017 0.000 1.176 282 A CA 1.297 53.346 52.037 0.021 0.000 0.628 282 A CB -0.627 18.375 19.000 0.003 0.000 0.816 282 A HN 0.320 nan 8.150 nan 0.000 0.444 283 L N -0.672 120.558 121.223 0.011 0.000 2.109 283 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 283 L C 2.366 179.218 176.870 -0.030 0.000 1.086 283 L CA 2.442 57.245 54.840 -0.062 0.000 0.760 283 L CB -0.808 41.225 42.059 -0.043 0.000 0.910 283 L HN 0.647 nan 8.230 nan 0.000 0.437 284 H N -0.296 118.796 119.070 0.036 0.000 2.319 284 H HA -0.179 4.377 4.556 -0.000 0.000 0.299 284 H C 1.398 176.775 175.328 0.082 0.000 1.092 284 H CA 2.178 58.303 56.048 0.128 0.000 1.302 284 H CB -0.020 29.796 29.762 0.090 0.000 1.373 284 H HN 0.384 nan 8.280 nan 0.000 0.497 285 D N 0.472 121.014 120.400 0.237 0.000 2.224 285 D HA -0.027 4.613 4.640 -0.000 0.000 0.205 285 D C 2.206 178.523 176.300 0.029 0.000 0.965 285 D CA 1.050 55.131 54.000 0.136 0.000 0.852 285 D CB -0.371 40.501 40.800 0.121 0.000 0.947 285 D HN 0.503 nan 8.370 nan 0.000 0.494 286 A N 0.837 123.647 122.820 -0.017 0.000 1.968 286 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 286 A C 1.223 178.776 177.584 -0.052 0.000 1.169 286 A CA 0.757 52.761 52.037 -0.055 0.000 0.638 286 A CB -0.398 18.538 19.000 -0.107 0.000 0.812 286 A HN 0.196 nan 8.150 nan 0.000 0.446 290 S N 0.050 115.775 115.700 0.042 0.000 2.382 290 S HA -0.068 4.402 4.470 -0.000 0.000 0.228 290 S C 1.913 176.536 174.600 0.038 0.000 1.027 290 S CA 1.640 59.871 58.200 0.052 0.000 0.991 290 S CB -0.038 63.202 63.200 0.067 0.000 0.823 290 S HN 0.331 nan 8.310 nan 0.000 0.469 291 L N 0.556 121.790 121.223 0.018 0.000 2.109 291 L HA -0.004 4.336 4.340 -0.000 0.000 0.207 291 L C 2.448 179.312 176.870 -0.010 0.000 1.086 291 L CA 0.727 55.563 54.840 -0.006 0.000 0.760 291 L CB -0.530 41.510 42.059 -0.031 0.000 0.910 291 L HN 0.356 nan 8.230 nan 0.000 0.437 292 L N -0.519 120.700 121.223 -0.006 0.000 2.083 292 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 292 L C 2.696 179.561 176.870 -0.007 0.000 1.083 292 L CA 1.766 56.600 54.840 -0.011 0.000 0.752 292 L CB -0.603 41.456 42.059 -0.001 0.000 0.899 292 L HN 0.133 nan 8.230 nan 0.000 0.433 293 S N -1.129 114.585 115.700 0.024 0.000 2.382 293 S HA -0.248 4.222 4.470 -0.000 0.000 0.228 293 S C 1.943 176.565 174.600 0.036 0.000 1.027 293 S CA 1.636 59.866 58.200 0.049 0.000 0.991 293 S CB -0.178 63.079 63.200 0.094 0.000 0.823 293 S HN 0.698 nan 8.310 nan 0.000 0.469 294 Q N 0.097 119.912 119.800 0.025 0.000 2.172 294 Q HA 0.022 4.362 4.340 -0.000 0.000 0.200 294 Q C 2.438 178.420 176.000 -0.029 0.000 0.964 294 Q CA 1.427 57.237 55.803 0.011 0.000 0.855 294 Q CB -0.118 28.624 28.738 0.007 0.000 0.918 294 Q HN 0.508 nan 8.270 nan 0.000 0.444 295 S N 0.956 116.634 115.700 -0.037 0.000 2.355 295 S HA -0.066 4.404 4.470 -0.000 0.000 0.222 295 S C 1.912 176.469 174.600 -0.071 0.000 1.031 295 S CA 0.832 59.001 58.200 -0.052 0.000 0.993 295 S CB -0.151 63.023 63.200 -0.043 0.000 0.859 295 S HN 0.282 nan 8.310 nan 0.000 0.453 296 L N 1.034 122.193 121.223 -0.106 0.000 2.131 296 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 296 L C 2.615 179.421 176.870 -0.106 0.000 1.092 296 L CA 1.028 55.740 54.840 -0.214 0.000 0.759 296 L CB -1.003 40.774 42.059 -0.470 0.000 0.903 296 L HN 0.309 nan 8.230 nan 0.000 0.435 297 T N -0.056 114.483 114.554 -0.026 0.000 2.708 297 T HA -0.039 4.311 4.350 -0.000 0.000 0.266 297 T C 1.186 175.876 174.700 -0.017 0.000 1.037 297 T CA 0.837 62.959 62.100 0.036 0.000 1.146 297 T CB -0.155 68.757 68.868 0.073 0.000 0.865 297 T HN 0.416 nan 8.240 nan 0.000 0.435 301 V N 2.055 121.969 119.914 -0.000 0.000 2.626 301 V HA -0.050 4.070 4.120 -0.000 0.000 0.252 301 V C 2.319 178.397 176.094 -0.027 0.000 1.067 301 V CA 1.912 64.220 62.300 0.012 0.000 1.081 301 V CB -0.386 31.464 31.823 0.046 0.000 0.686 301 V HN 0.506 nan 8.190 nan 0.000 0.468 302 E N 0.211 120.380 120.200 -0.051 0.000 2.076 302 E HA 0.080 4.430 4.350 -0.000 0.000 0.190 302 E C 1.381 177.792 176.600 -0.316 0.000 0.979 302 E CA 0.739 57.095 56.400 -0.072 0.000 0.807 302 E CB -0.054 29.640 29.700 -0.010 0.000 0.761 302 E HN 0.624 nan 8.360 nan 0.000 0.454 306 G N -0.605 108.138 108.800 -0.095 0.000 2.531 306 G HA2 0.589 4.549 3.960 -0.000 0.000 0.313 306 G HA3 0.589 4.549 3.960 -0.000 0.000 0.313 306 G C -0.629 174.151 174.900 -0.200 0.000 1.238 306 G CA -0.530 44.480 45.100 -0.150 0.000 0.994 306 G HN 0.445 nan 8.290 nan 0.000 0.493 307 H N 0.065 119.184 119.070 0.083 0.000 2.620 307 H HA 0.352 4.908 4.556 0.000 0.000 0.313 307 H C 1.025 176.449 175.328 0.161 0.000 1.075 307 H CA 0.214 56.309 56.048 0.079 0.000 1.397 307 H CB 1.732 31.535 29.762 0.067 0.000 1.446 307 H HN 0.510 nan 8.280 nan 0.000 0.493 308 A N 3.219 126.164 122.820 0.208 0.000 2.119 308 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 308 A C 2.391 180.220 177.584 0.408 0.000 1.152 308 A CA 0.884 53.097 52.037 0.292 0.000 0.708 308 A CB -0.456 18.588 19.000 0.075 0.000 0.805 308 A HN 0.802 nan 8.150 nan 0.000 0.460 309 G N -0.513 108.454 108.800 0.279 0.000 2.527 309 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.219 309 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.219 309 G C 1.487 176.473 174.900 0.145 0.000 1.117 309 G CA 1.156 46.382 45.100 0.211 0.000 0.759 309 G HN 0.470 nan 8.290 nan 0.000 0.556 310 S N 0.104 115.832 115.700 0.047 0.000 2.453 310 S HA 0.070 4.540 4.470 -0.000 0.000 0.231 310 S C 0.920 175.301 174.600 -0.366 0.000 1.005 310 S CA 0.335 58.364 58.200 -0.285 0.000 0.949 310 S CB -0.164 62.686 63.200 -0.583 0.000 0.774 310 S HN 0.409 nan 8.310 nan 0.000 0.510 311 F N 0.842 120.942 119.950 0.249 0.000 2.750 311 F HA 0.314 4.841 4.527 0.000 0.000 0.297 311 F C 0.749 176.718 175.800 0.281 0.000 1.138 311 F CA -0.848 57.305 58.000 0.255 0.000 1.346 311 F CB -0.362 38.706 39.000 0.114 0.000 0.965 311 F HN 0.163 nan 8.300 nan 0.000 0.514 312 H N 2.903 122.151 119.070 0.296 0.000 2.722 312 H HA 0.124 4.680 4.556 -0.000 0.000 0.328 312 H C -1.760 173.726 175.328 0.263 0.000 1.067 312 H CA -1.865 54.325 56.048 0.237 0.000 1.447 312 H CB 1.676 31.536 29.762 0.164 0.000 1.469 312 H HN -0.009 nan 8.280 nan 0.000 0.544 313 P HA -0.239 nan 4.420 nan 0.000 0.218 313 P C 1.438 178.910 177.300 0.287 0.000 1.154 313 P CA 1.412 64.625 63.100 0.188 0.000 0.872 313 P CB -0.215 31.503 31.700 0.031 0.000 0.790 314 F N -0.229 119.940 119.950 0.365 0.000 2.202 314 F HA -0.147 4.380 4.527 -0.000 0.000 0.301 314 F C 1.688 177.503 175.800 0.026 0.000 1.082 314 F CA 1.327 59.435 58.000 0.180 0.000 1.313 314 F CB -0.566 38.514 39.000 0.133 0.000 1.024 314 F HN -0.200 nan 8.300 nan 0.000 0.495 315 L N -0.816 120.432 121.223 0.041 0.000 2.599 315 L HA -0.035 4.305 4.340 -0.000 0.000 0.230 315 L C 1.402 177.831 176.870 -0.735 0.000 1.141 315 L CA 0.161 54.792 54.840 -0.350 0.000 0.877 315 L CB -0.451 41.378 42.059 -0.383 0.000 1.009 315 L HN 0.296 nan 8.230 nan 0.000 0.447 316 H N -1.974 117.084 119.070 -0.019 0.000 2.356 316 H HA 0.082 4.638 4.556 -0.000 0.000 0.149 316 H C 1.147 176.449 175.328 -0.044 0.000 1.057 316 H CA 0.238 56.278 56.048 -0.013 0.000 1.093 316 H CB -0.236 29.550 29.762 0.040 0.000 0.960 316 H HN 0.036 nan 8.280 nan 0.000 0.316 317 D N 1.338 121.810 120.400 0.120 0.000 2.133 317 D HA -0.122 4.518 4.640 -0.000 0.000 0.195 317 D C 2.095 178.370 176.300 -0.041 0.000 0.997 317 D CA 1.511 55.536 54.000 0.041 0.000 0.840 317 D CB 0.084 40.918 40.800 0.056 0.000 0.947 317 D HN 0.056 nan 8.370 nan 0.000 0.452 318 V N 0.112 119.954 119.914 -0.119 0.000 2.374 318 V HA -0.116 4.004 4.120 -0.000 0.000 0.241 318 V C 2.564 178.477 176.094 -0.303 0.000 1.034 318 V CA 1.886 64.055 62.300 -0.220 0.000 1.037 318 V CB -0.692 30.933 31.823 -0.329 0.000 0.682 318 V HN 0.383 nan 8.190 nan 0.000 0.463 319 T N -1.326 112.971 114.554 -0.427 0.000 2.978 319 T HA -0.029 4.321 4.350 -0.000 0.000 0.262 319 T C 1.323 175.904 174.700 -0.200 0.000 1.063 319 T CA 0.633 62.522 62.100 -0.351 0.000 1.140 319 T CB 0.031 68.633 68.868 -0.445 0.000 0.886 319 T HN 0.279 nan 8.240 nan 0.000 0.470 320 R N 2.178 122.589 120.500 -0.148 0.000 2.644 320 R HA 0.321 4.661 4.340 -0.000 0.000 0.271 320 R C -2.554 173.706 176.300 -0.067 0.000 1.687 320 R CA -1.765 54.285 56.100 -0.085 0.000 1.655 320 R CB 1.113 31.419 30.300 0.010 0.000 1.285 320 R HN 0.088 nan 8.270 nan 0.000 0.643 321 P HA -0.133 nan 4.420 nan 0.000 0.310 321 P C -0.710 176.520 177.300 -0.117 0.000 1.512 321 P CA 0.408 63.443 63.100 -0.108 0.000 0.753 321 P CB -0.214 31.417 31.700 -0.115 0.000 1.608 322 H N 0.753 119.835 119.070 0.020 0.000 2.975 322 H HA 0.066 4.622 4.556 -0.000 0.000 0.303 322 H C -1.260 174.080 175.328 0.020 0.000 1.023 322 H CA -1.301 54.758 56.048 0.018 0.000 1.473 322 H CB 0.390 30.164 29.762 0.020 0.000 1.498 322 H HN 0.076 nan 8.280 nan 0.000 0.549 323 P HA -0.208 nan 4.420 nan 0.000 0.217 323 P C 1.577 178.915 177.300 0.065 0.000 1.162 323 P CA 2.513 65.656 63.100 0.071 0.000 0.901 323 P CB 0.128 31.862 31.700 0.057 0.000 0.793 324 T N -3.225 111.370 114.554 0.068 0.000 2.951 324 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 324 T C 1.948 176.671 174.700 0.038 0.000 1.073 324 T CA 0.946 63.070 62.100 0.040 0.000 1.134 324 T CB -0.863 68.020 68.868 0.026 0.000 0.884 324 T HN 0.188 nan 8.240 nan 0.000 0.479 325 Q N 0.598 120.441 119.800 0.071 0.000 2.119 325 Q HA -0.000 4.340 4.340 -0.000 0.000 0.201 325 Q C 2.255 178.250 176.000 -0.008 0.000 0.972 325 Q CA 1.107 56.944 55.803 0.056 0.000 0.847 325 Q CB -0.299 28.530 28.738 0.151 0.000 0.903 325 Q HN 0.615 nan 8.270 nan 0.000 0.433 326 I N 0.630 121.224 120.570 0.040 0.000 2.252 326 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 326 I C 2.480 178.595 176.117 -0.004 0.000 1.102 326 I CA 1.334 62.649 61.300 0.025 0.000 1.385 326 I CB -0.299 37.734 38.000 0.055 0.000 1.064 326 I HN 0.382 nan 8.210 nan 0.000 0.414 327 E N 0.888 121.091 120.200 0.005 0.000 2.051 327 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 327 E C 2.286 178.881 176.600 -0.009 0.000 0.991 327 E CA 1.643 58.041 56.400 -0.003 0.000 0.799 327 E CB 0.156 29.855 29.700 -0.002 0.000 0.748 327 E HN 0.263 nan 8.360 nan 0.000 0.449 328 V N 1.365 121.275 119.914 -0.006 0.000 2.270 328 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 328 V C 2.545 178.646 176.094 0.012 0.000 1.043 328 V CA 1.821 64.125 62.300 0.008 0.000 1.014 328 V CB -0.897 30.946 31.823 0.032 0.000 0.645 328 V HN 0.450 nan 8.190 nan 0.000 0.447 329 A N 0.559 123.349 122.820 -0.050 0.000 1.978 329 A HA -0.120 4.199 4.320 -0.000 0.000 0.220 329 A C 2.362 179.980 177.584 0.056 0.000 1.170 329 A CA 2.019 54.044 52.037 -0.020 0.000 0.636 329 A CB -1.114 17.565 19.000 -0.534 0.000 0.810 329 A HN 0.556 nan 8.150 nan 0.000 0.448 330 G N -0.397 108.408 108.800 0.008 0.000 2.403 330 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 330 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 330 G C 1.411 176.306 174.900 -0.009 0.000 1.154 330 G CA 0.847 45.956 45.100 0.014 0.000 0.784 330 G HN 0.525 nan 8.290 nan 0.000 0.538 331 N N 0.793 119.481 118.700 -0.021 0.000 2.106 331 N HA -0.032 4.708 4.740 -0.000 0.000 0.188 331 N C 2.246 177.709 175.510 -0.078 0.000 1.029 331 N CA 0.798 53.823 53.050 -0.041 0.000 0.848 331 N CB -0.199 38.266 38.487 -0.036 0.000 1.007 331 N HN 0.326 nan 8.380 nan 0.000 0.423 332 I N 0.986 121.483 120.570 -0.122 0.000 2.202 332 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 332 I C 2.649 178.581 176.117 -0.308 0.000 1.091 332 I CA 0.737 61.859 61.300 -0.296 0.000 1.368 332 I CB -0.237 37.427 38.000 -0.560 0.000 1.058 332 I HN 0.093 nan 8.210 nan 0.000 0.410 333 R N 1.481 121.875 120.500 -0.177 0.000 2.119 333 R HA -0.276 4.064 4.340 -0.000 0.000 0.246 333 R C 2.308 178.589 176.300 -0.032 0.000 1.146 333 R CA 2.073 58.147 56.100 -0.043 0.000 0.962 333 R CB -0.184 30.161 30.300 0.074 0.000 0.863 333 R HN 0.260 nan 8.270 nan 0.000 0.442 334 K N 0.416 120.792 120.400 -0.039 0.000 2.002 334 K HA -0.116 4.204 4.320 -0.000 0.000 0.209 334 K C 2.153 178.735 176.600 -0.029 0.000 1.048 334 K CA 1.500 57.772 56.287 -0.026 0.000 0.930 334 K CB -0.152 32.331 32.500 -0.028 0.000 0.714 334 K HN 0.197 nan 8.250 nan 0.000 0.438 335 L N 0.706 121.895 121.223 -0.056 0.000 2.261 335 L HA -0.170 4.170 4.340 -0.000 0.000 0.216 335 L C 1.656 178.512 176.870 -0.023 0.000 1.114 335 L CA 0.383 55.195 54.840 -0.046 0.000 0.777 335 L CB -0.183 41.833 42.059 -0.072 0.000 0.910 335 L HN 0.213 nan 8.230 nan 0.000 0.440 336 L N -0.488 120.717 121.223 -0.029 0.000 2.611 336 L HA 0.133 4.473 4.340 -0.000 0.000 0.229 336 L C 0.741 177.696 176.870 0.143 0.000 1.137 336 L CA 0.437 55.300 54.840 0.037 0.000 0.901 336 L CB -0.410 41.637 42.059 -0.020 0.000 1.098 336 L HN 0.122 nan 8.230 nan 0.000 0.456 337 E N -0.278 119.969 120.200 0.078 0.000 2.299 337 E HA 0.375 4.725 4.350 -0.000 0.000 0.272 337 E C 1.069 177.691 176.600 0.036 0.000 1.043 337 E CA 0.549 56.981 56.400 0.053 0.000 0.895 337 E CB 0.260 29.965 29.700 0.009 0.000 1.011 337 E HN 0.300 nan 8.360 nan 0.000 0.432 338 G N 3.028 111.825 108.800 -0.005 0.000 2.141 338 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.242 338 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.242 338 G C 0.330 175.276 174.900 0.077 0.000 0.982 338 G CA 0.315 45.413 45.100 -0.004 0.000 0.662 338 G HN 0.515 nan 8.290 nan 0.000 0.527 339 S N -0.288 115.540 115.700 0.213 0.000 2.499 339 S HA 0.499 4.969 4.470 -0.000 0.000 0.275 339 S C 1.595 176.361 174.600 0.277 0.000 1.257 339 S CA -0.149 58.191 58.200 0.234 0.000 1.050 339 S CB 0.561 63.908 63.200 0.245 0.000 0.937 339 S HN 0.409 nan 8.310 nan 0.000 0.490 340 R N 3.166 123.741 120.500 0.124 0.000 2.310 340 R HA 0.098 4.438 4.340 -0.000 0.000 0.202 340 R C 0.513 176.930 176.300 0.195 0.000 0.933 340 R CA 0.513 56.704 56.100 0.151 0.000 1.054 340 R CB -0.025 30.347 30.300 0.120 0.000 0.985 340 R HN 0.601 nan 8.270 nan 0.000 0.489 341 F N 1.131 121.212 119.950 0.218 0.000 2.188 341 F HA 0.207 4.734 4.527 -0.000 0.000 0.289 341 F C 1.518 177.372 175.800 0.089 0.000 1.082 341 F CA -0.192 57.884 58.000 0.127 0.000 1.282 341 F CB -0.609 38.366 39.000 -0.041 0.000 1.060 341 F HN -0.134 nan 8.300 nan 0.000 0.493 342 A N 0.827 123.770 122.820 0.205 0.000 2.462 342 A HA 0.412 4.732 4.320 -0.000 0.000 0.243 342 A C -0.151 177.335 177.584 -0.163 0.000 1.076 342 A CA -0.355 51.666 52.037 -0.027 0.000 0.773 342 A CB -0.033 18.889 19.000 -0.130 0.000 1.010 342 A HN -0.016 nan 8.150 nan 0.000 0.493 343 V N 3.653 123.481 119.914 -0.143 0.000 2.555 343 V HA 0.121 4.241 4.120 -0.000 0.000 0.286 343 V C 0.970 176.979 176.094 -0.142 0.000 1.044 343 V CA 0.088 62.355 62.300 -0.056 0.000 1.026 343 V CB 0.486 32.306 31.823 -0.006 0.000 0.981 343 V HN 1.005 nan 8.190 nan 0.000 0.480 344 H N 2.395 121.527 119.070 0.104 0.000 2.750 344 H HA 0.236 4.792 4.556 -0.000 0.000 0.263 344 H C -0.010 175.184 175.328 -0.222 0.000 0.964 344 H CA 0.138 56.163 56.048 -0.038 0.000 1.205 344 H CB 0.698 30.396 29.762 -0.106 0.000 1.454 344 H HN 0.610 nan 8.280 nan 0.000 0.503 345 H N 1.529 120.734 119.070 0.224 0.000 2.762 345 H HA 0.163 4.719 4.556 -0.000 0.000 0.310 345 H C -0.152 175.254 175.328 0.129 0.000 1.004 345 H CA -0.491 55.649 56.048 0.154 0.000 1.267 345 H CB 1.838 31.672 29.762 0.120 0.000 1.437 345 H HN 0.170 nan 8.280 nan 0.000 0.498 346 E N 2.577 122.872 120.200 0.159 0.000 2.467 346 E HA -0.051 4.299 4.350 -0.000 0.000 0.264 346 E C 0.366 177.004 176.600 0.064 0.000 1.020 346 E CA 0.692 57.129 56.400 0.061 0.000 0.945 346 E CB 0.514 30.193 29.700 -0.035 0.000 0.942 346 E HN 0.728 nan 8.360 nan 0.000 0.449 361 D N 0.917 121.410 120.400 0.155 0.000 4.874 361 D HA -0.112 4.528 4.640 -0.000 0.000 0.228 361 D C -0.759 175.616 176.300 0.124 0.000 1.423 361 D CA 0.707 54.796 54.000 0.147 0.000 1.130 361 D CB 0.210 41.141 40.800 0.218 0.000 0.564 361 D HN 0.399 nan 8.370 nan 0.000 0.272 362 R N 1.787 122.341 120.500 0.091 0.000 2.649 362 R HA 0.272 4.612 4.340 -0.000 0.000 0.270 362 R C 1.118 177.543 176.300 0.209 0.000 1.105 362 R CA -0.697 55.464 56.100 0.102 0.000 1.193 362 R CB 0.233 30.524 30.300 -0.015 0.000 1.120 362 R HN 0.327 nan 8.270 nan 0.000 0.561 363 Y N 0.668 120.944 120.300 -0.041 0.000 2.139 363 Y HA -0.160 4.390 4.550 -0.000 0.000 0.282 363 Y C -0.687 175.164 175.900 -0.082 0.000 1.179 363 Y CA 1.157 59.224 58.100 -0.055 0.000 1.161 363 Y CB -1.948 36.470 38.460 -0.071 0.000 0.970 363 Y HN 0.555 nan 8.280 nan 0.000 0.511 364 P HA -0.183 nan 4.420 nan 0.000 0.216 364 P C 1.591 178.911 177.300 0.032 0.000 1.150 364 P CA 1.790 64.867 63.100 -0.037 0.000 0.843 364 P CB -0.068 31.589 31.700 -0.072 0.000 0.787 365 L N -2.407 118.865 121.223 0.082 0.000 2.349 365 L HA 0.178 4.518 4.340 -0.000 0.000 0.200 365 L C 2.671 179.612 176.870 0.117 0.000 1.064 365 L CA 0.318 55.250 54.840 0.153 0.000 0.821 365 L CB -0.482 41.676 42.059 0.164 0.000 1.027 365 L HN -0.247 nan 8.230 nan 0.000 0.476 366 R N 0.627 121.161 120.500 0.058 0.000 2.081 366 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 366 R C 1.901 178.144 176.300 -0.094 0.000 1.131 366 R CA 2.023 58.097 56.100 -0.043 0.000 0.960 366 R CB -0.101 30.209 30.300 0.018 0.000 0.856 366 R HN 0.401 nan 8.270 nan 0.000 0.436 367 T N -2.006 112.519 114.554 -0.047 0.000 3.145 367 T HA 0.097 4.447 4.350 -0.000 0.000 0.255 367 T C 1.464 176.221 174.700 0.094 0.000 1.039 367 T CA 0.269 62.349 62.100 -0.034 0.000 0.928 367 T CB 0.294 69.082 68.868 -0.133 0.000 1.029 367 T HN 0.294 nan 8.240 nan 0.000 0.554 368 S N 2.440 118.207 115.700 0.111 0.000 2.359 368 S HA -0.041 4.429 4.470 -0.000 0.000 0.224 368 S C -0.667 174.072 174.600 0.231 0.000 1.035 368 S CA 0.965 59.287 58.200 0.203 0.000 1.018 368 S CB -1.805 61.543 63.200 0.247 0.000 0.876 368 S HN 0.429 nan 8.310 nan 0.000 0.448 369 P HA -0.104 nan 4.420 nan 0.000 0.216 369 P C 1.603 178.974 177.300 0.118 0.000 1.153 369 P CA 1.281 64.443 63.100 0.103 0.000 0.848 369 P CB -0.232 31.419 31.700 -0.083 0.000 0.787 370 Q N -1.686 118.205 119.800 0.152 0.000 2.472 370 Q HA -0.126 4.214 4.340 -0.000 0.000 0.208 370 Q C 1.733 177.821 176.000 0.147 0.000 0.958 370 Q CA 0.876 56.755 55.803 0.126 0.000 0.932 370 Q CB -1.098 27.708 28.738 0.113 0.000 1.007 370 Q HN 0.512 nan 8.270 nan 0.000 0.508 371 W N 0.885 122.195 121.300 0.017 0.000 2.683 371 W HA 0.185 4.845 4.660 -0.000 0.000 0.267 371 W C 1.071 177.604 176.519 0.024 0.000 1.243 371 W CA 0.124 57.482 57.345 0.022 0.000 1.380 371 W CB 0.282 29.770 29.460 0.046 0.000 1.063 371 W HN 0.077 nan 8.180 nan 0.000 0.599 372 L N 0.297 121.650 121.223 0.217 0.000 2.354 372 L HA 0.145 4.485 4.340 -0.000 0.000 0.212 372 L C 2.687 179.570 176.870 0.022 0.000 1.091 372 L CA 0.826 55.737 54.840 0.119 0.000 0.828 372 L CB -1.148 41.016 42.059 0.174 0.000 0.973 372 L HN -0.078 nan 8.230 nan 0.000 0.461 373 G N 1.708 110.518 108.800 0.017 0.000 2.586 373 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 373 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 373 G C -0.725 174.139 174.900 -0.060 0.000 1.216 373 G CA 1.000 46.091 45.100 -0.015 0.000 0.786 373 G HN 0.278 nan 8.290 nan 0.000 0.583 374 P HA -0.052 nan 4.420 nan 0.000 0.216 374 P C 1.855 179.086 177.300 -0.114 0.000 1.150 374 P CA 0.680 63.692 63.100 -0.146 0.000 0.837 374 P CB -0.043 31.532 31.700 -0.209 0.000 0.786 375 L N -1.209 119.945 121.223 -0.114 0.000 2.005 375 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 375 L C 2.490 179.343 176.870 -0.028 0.000 1.072 375 L CA 1.680 56.473 54.840 -0.078 0.000 0.744 375 L CB -1.856 40.165 42.059 -0.063 0.000 0.895 375 L HN -0.149 nan 8.230 nan 0.000 0.433 376 V N -1.054 118.857 119.914 -0.006 0.000 2.380 376 V HA -0.327 3.793 4.120 -0.000 0.000 0.251 376 V C 2.776 178.888 176.094 0.031 0.000 1.063 376 V CA 1.944 64.259 62.300 0.026 0.000 1.055 376 V CB -0.709 31.130 31.823 0.026 0.000 0.657 376 V HN 0.529 nan 8.190 nan 0.000 0.455 377 S N -0.575 115.132 115.700 0.011 0.000 2.382 377 S HA -0.219 4.251 4.470 -0.000 0.000 0.228 377 S C 1.730 176.360 174.600 0.051 0.000 1.027 377 S CA 1.754 59.970 58.200 0.028 0.000 0.991 377 S CB -0.383 62.820 63.200 0.005 0.000 0.823 377 S HN 0.663 nan 8.310 nan 0.000 0.469 378 D N 1.118 121.524 120.400 0.011 0.000 2.144 378 D HA 0.006 4.646 4.640 -0.000 0.000 0.200 378 D C 1.945 178.283 176.300 0.064 0.000 0.978 378 D CA 0.705 54.709 54.000 0.006 0.000 0.833 378 D CB -0.357 40.411 40.800 -0.053 0.000 0.961 378 D HN 0.373 nan 8.370 nan 0.000 0.470 379 L N 0.350 121.604 121.223 0.051 0.000 2.046 379 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 379 L C 2.454 179.432 176.870 0.179 0.000 1.077 379 L CA 0.706 55.583 54.840 0.061 0.000 0.747 379 L CB -0.246 41.834 42.059 0.035 0.000 0.896 379 L HN 0.016 nan 8.230 nan 0.000 0.432 380 I N -1.111 119.559 120.570 0.165 0.000 2.226 380 I HA -0.334 3.836 4.170 -0.000 0.000 0.245 380 I C 2.718 178.909 176.117 0.124 0.000 1.100 380 I CA 1.141 62.523 61.300 0.136 0.000 1.374 380 I CB -0.553 37.479 38.000 0.054 0.000 1.057 380 I HN 0.370 nan 8.210 nan 0.000 0.413 381 H N 1.631 120.712 119.070 0.018 0.000 2.353 381 H HA -0.151 4.405 4.556 -0.000 0.000 0.300 381 H C 2.164 177.489 175.328 -0.005 0.000 1.090 381 H CA 1.953 57.987 56.048 -0.022 0.000 1.327 381 H CB 0.110 29.882 29.762 0.016 0.000 1.383 381 H HN 0.323 nan 8.280 nan 0.000 0.508 382 A N -0.030 122.950 122.820 0.266 0.000 1.972 382 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 382 A C 2.270 179.909 177.584 0.092 0.000 1.169 382 A CA 1.761 53.907 52.037 0.181 0.000 0.635 382 A CB -0.991 18.073 19.000 0.106 0.000 0.810 382 A HN 0.651 nan 8.150 nan 0.000 0.446 383 H N -0.300 118.794 119.070 0.039 0.000 2.387 383 H HA 0.061 4.617 4.556 -0.000 0.000 0.299 383 H C 2.207 177.512 175.328 -0.039 0.000 1.090 383 H CA 1.690 57.767 56.048 0.049 0.000 1.332 383 H CB -0.095 29.742 29.762 0.124 0.000 1.386 383 H HN 0.426 nan 8.280 nan 0.000 0.516 384 A N -0.312 122.472 122.820 -0.061 0.000 1.898 384 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 384 A C 2.596 180.091 177.584 -0.148 0.000 1.181 384 A CA 1.546 53.451 52.037 -0.220 0.000 0.620 384 A CB -0.777 17.826 19.000 -0.661 0.000 0.819 384 A HN 0.314 nan 8.150 nan 0.000 0.442 385 V N 0.109 119.957 119.914 -0.111 0.000 2.307 385 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 385 V C 2.505 178.590 176.094 -0.016 0.000 1.045 385 V CA 1.874 64.180 62.300 0.010 0.000 1.024 385 V CB -0.706 31.158 31.823 0.069 0.000 0.651 385 V HN 0.563 nan 8.190 nan 0.000 0.449 386 L N -0.385 120.806 121.223 -0.054 0.000 2.217 386 L HA -0.117 4.223 4.340 -0.000 0.000 0.211 386 L C 2.535 179.341 176.870 -0.107 0.000 1.107 386 L CA 1.423 56.219 54.840 -0.074 0.000 0.783 386 L CB -0.855 41.151 42.059 -0.087 0.000 0.919 386 L HN 0.369 nan 8.230 nan 0.000 0.442 387 T N 0.136 114.600 114.554 -0.150 0.000 2.777 387 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 387 T C 1.926 176.592 174.700 -0.056 0.000 1.040 387 T CA 1.167 63.192 62.100 -0.125 0.000 1.141 387 T CB -0.063 68.733 68.868 -0.120 0.000 0.868 387 T HN 0.200 nan 8.240 nan 0.000 0.444 388 I N 0.764 121.315 120.570 -0.032 0.000 2.286 388 I HA -0.098 4.072 4.170 -0.000 0.000 0.245 388 I C 2.697 178.802 176.117 -0.020 0.000 1.104 388 I CA 1.157 62.453 61.300 -0.007 0.000 1.397 388 I CB -0.228 37.784 38.000 0.021 0.000 1.072 388 I HN 0.189 nan 8.210 nan 0.000 0.417 389 E N 1.365 121.552 120.200 -0.022 0.000 2.150 389 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 389 E C 1.965 178.545 176.600 -0.034 0.000 0.985 389 E CA 1.551 57.937 56.400 -0.023 0.000 0.814 389 E CB 0.011 29.703 29.700 -0.014 0.000 0.752 389 E HN 0.418 nan 8.360 nan 0.000 0.466 390 A N -0.806 121.988 122.820 -0.043 0.000 2.044 390 A HA 0.299 4.619 4.320 -0.000 0.000 0.213 390 A C 2.100 179.651 177.584 -0.056 0.000 1.169 390 A CA 0.818 52.827 52.037 -0.047 0.000 0.724 390 A CB -0.070 18.901 19.000 -0.048 0.000 0.840 390 A HN 0.326 nan 8.150 nan 0.000 0.463 391 G N -1.590 107.176 108.800 -0.057 0.000 3.062 391 G HA2 0.317 4.277 3.960 -0.000 0.000 0.228 391 G HA3 0.317 4.277 3.960 -0.000 0.000 0.228 391 G C 0.829 175.673 174.900 -0.093 0.000 1.094 391 G CA 0.261 45.323 45.100 -0.063 0.000 0.782 391 G HN 0.464 nan 8.290 nan 0.000 0.541 392 Q N -0.040 119.707 119.800 -0.088 0.000 2.064 392 Q HA 0.291 4.631 4.340 -0.000 0.000 0.213 392 Q C -0.374 175.559 176.000 -0.112 0.000 0.779 392 Q CA -0.062 55.673 55.803 -0.113 0.000 1.032 392 Q CB 1.656 30.393 28.738 -0.001 0.000 1.203 392 Q HN 0.181 nan 8.270 nan 0.000 0.457 393 S N 0.390 116.033 115.700 -0.095 0.000 2.503 393 S HA 0.451 4.921 4.470 -0.000 0.000 0.301 393 S C -0.551 174.014 174.600 -0.057 0.000 1.087 393 S CA -0.549 57.616 58.200 -0.058 0.000 1.042 393 S CB 1.979 65.160 63.200 -0.032 0.000 1.043 393 S HN 0.089 nan 8.310 nan 0.000 0.489 394 T N 1.267 115.816 114.554 -0.009 0.000 2.874 394 T HA 0.344 4.694 4.350 -0.000 0.000 0.321 394 T C 0.744 175.463 174.700 0.032 0.000 1.075 394 T CA -0.591 61.523 62.100 0.024 0.000 0.966 394 T CB -0.175 68.781 68.868 0.147 0.000 1.001 394 T HN 0.645 nan 8.240 nan 0.000 0.476 395 T N 1.298 115.868 114.554 0.026 0.000 3.312 395 T HA 0.278 4.628 4.350 -0.000 0.000 0.251 395 T C 0.035 174.794 174.700 0.098 0.000 1.012 395 T CA -0.564 61.562 62.100 0.044 0.000 0.925 395 T CB -0.428 68.468 68.868 0.046 0.000 1.049 395 T HN 0.536 nan 8.240 nan 0.000 0.583 396 D N 1.640 122.095 120.400 0.091 0.000 2.466 396 D HA 0.599 5.239 4.640 -0.000 0.000 0.262 396 D C -0.177 176.212 176.300 0.148 0.000 1.177 396 D CA -0.460 53.611 54.000 0.119 0.000 1.035 396 D CB 0.537 41.386 40.800 0.082 0.000 1.105 396 D HN 0.385 nan 8.370 nan 0.000 0.551 397 N N -1.013 117.784 118.700 0.160 0.000 2.635 397 N HA 0.310 5.050 4.740 -0.000 0.000 0.260 397 N C -3.007 172.572 175.510 0.114 0.000 1.078 397 N CA -1.058 52.090 53.050 0.164 0.000 1.012 397 N CB 1.394 40.092 38.487 0.351 0.000 1.677 397 N HN 0.025 nan 8.380 nan 0.000 0.514 398 P HA 0.322 nan 4.420 nan 0.000 0.277 398 P C -0.940 176.341 177.300 -0.032 0.000 1.276 398 P CA -0.309 62.728 63.100 -0.105 0.000 0.788 398 P CB 0.674 32.152 31.700 -0.370 0.000 1.114 399 L N 0.486 121.682 121.223 -0.046 0.000 2.356 399 L HA 0.483 4.823 4.340 -0.000 0.000 0.277 399 L C -0.139 176.721 176.870 -0.015 0.000 0.996 399 L CA -0.680 54.145 54.840 -0.026 0.000 0.822 399 L CB 1.270 43.279 42.059 -0.083 0.000 1.256 399 L HN 0.212 nan 8.230 nan 0.000 0.413 400 I N 2.294 122.864 120.570 0.000 0.000 2.395 400 I HA 0.111 4.281 4.170 -0.000 0.000 0.289 400 I C -0.010 176.048 176.117 -0.097 0.000 1.023 400 I CA 0.048 61.344 61.300 -0.007 0.000 1.350 400 I CB 1.153 39.180 38.000 0.044 0.000 1.409 400 I HN 0.563 nan 8.210 nan 0.000 0.507 401 D N 6.361 126.688 120.400 -0.122 0.000 2.772 401 D HA 0.110 4.750 4.640 -0.000 0.000 0.273 401 D C 1.245 177.388 176.300 -0.263 0.000 1.233 401 D CA -0.487 53.425 54.000 -0.147 0.000 0.984 401 D CB 0.553 41.337 40.800 -0.027 0.000 1.000 401 D HN 0.397 nan 8.370 nan 0.000 0.514 402 V N 0.756 120.476 119.914 -0.323 0.000 2.257 402 V HA -0.312 3.808 4.120 -0.000 0.000 0.257 402 V C 1.418 177.334 176.094 -0.296 0.000 1.077 402 V CA 1.779 63.812 62.300 -0.445 0.000 1.063 402 V CB -0.791 30.904 31.823 -0.214 0.000 0.664 402 V HN 0.341 nan 8.190 nan 0.000 0.450 403 E N 0.728 120.838 120.200 -0.150 0.000 2.520 403 E HA -0.022 4.328 4.350 -0.000 0.000 0.201 403 E C 0.521 177.077 176.600 -0.073 0.000 1.122 403 E CA 0.825 57.173 56.400 -0.086 0.000 0.896 403 E CB -0.260 29.412 29.700 -0.046 0.000 0.891 403 E HN 0.839 nan 8.360 nan 0.000 0.533 404 N N -0.180 118.458 118.700 -0.103 0.000 2.217 404 N HA 0.051 4.791 4.740 -0.000 0.000 0.239 404 N C -1.199 174.277 175.510 -0.057 0.000 1.330 404 N CA -0.197 52.824 53.050 -0.049 0.000 0.838 404 N CB 0.659 39.138 38.487 -0.013 0.000 1.287 404 N HN -0.080 nan 8.380 nan 0.000 0.498 405 K N 0.450 120.751 120.400 -0.165 0.000 3.540 405 K HA -0.224 4.096 4.320 -0.000 0.000 0.274 405 K C -0.352 176.295 176.600 0.078 0.000 0.890 405 K CA 0.871 57.077 56.287 -0.135 0.000 0.701 405 K CB -1.645 30.983 32.500 0.214 0.000 1.523 405 K HN 0.268 nan 8.250 nan 0.000 0.450 406 T N -1.582 112.932 114.554 -0.068 0.000 2.883 406 T HA 0.489 4.839 4.350 -0.000 0.000 0.301 406 T C -1.520 173.194 174.700 0.024 0.000 1.158 406 T CA -0.434 61.686 62.100 0.033 0.000 1.007 406 T CB 2.258 71.103 68.868 -0.039 0.000 1.186 406 T HN 0.167 nan 8.240 nan 0.000 0.499 407 S N 1.413 117.111 115.700 -0.003 0.000 2.561 407 S HA 0.602 5.072 4.470 -0.000 0.000 0.303 407 S C -1.461 173.044 174.600 -0.158 0.000 1.110 407 S CA -0.571 57.630 58.200 0.002 0.000 1.034 407 S CB 0.284 63.516 63.200 0.053 0.000 1.010 407 S HN 0.761 nan 8.310 nan 0.000 0.482 408 H N 2.744 121.745 119.070 -0.114 0.000 2.472 408 H HA 0.446 5.002 4.556 -0.000 0.000 0.335 408 H C -0.255 174.958 175.328 -0.191 0.000 1.136 408 H CA -0.356 55.633 56.048 -0.097 0.000 1.264 408 H CB 0.655 30.373 29.762 -0.072 0.000 1.486 408 H HN 0.535 nan 8.280 nan 0.000 0.517 409 H N 2.019 121.155 119.070 0.110 0.000 2.673 409 H HA 0.377 4.933 4.556 0.000 0.000 0.293 409 H C 0.288 175.660 175.328 0.073 0.000 1.065 409 H CA -0.259 55.842 56.048 0.087 0.000 1.236 409 H CB 1.009 30.808 29.762 0.061 0.000 1.389 409 H HN 0.905 nan 8.280 nan 0.000 0.481 410 G N 0.827 109.709 108.800 0.136 0.000 3.247 410 G HA2 0.456 4.416 3.960 -0.000 0.000 0.226 410 G HA3 0.456 4.416 3.960 -0.000 0.000 0.226 410 G C -0.193 174.667 174.900 -0.066 0.000 1.220 410 G CA -0.478 44.644 45.100 0.037 0.000 0.875 410 G HN 0.475 nan 8.290 nan 0.000 0.606 411 G N 0.091 108.733 108.800 -0.263 0.000 4.855 411 G HA2 0.296 4.256 3.960 -0.000 0.000 0.275 411 G HA3 0.296 4.256 3.960 -0.000 0.000 0.275 411 G C -0.037 174.402 174.900 -0.769 0.000 1.282 411 G CA -0.317 44.328 45.100 -0.759 0.000 0.930 411 G HN 0.259 nan 8.290 nan 0.000 0.575 412 N N 0.912 119.329 118.700 -0.472 0.000 2.434 412 N HA 0.027 4.767 4.740 -0.000 0.000 0.196 412 N C 1.153 176.556 175.510 -0.179 0.000 1.183 412 N CA 0.041 52.938 53.050 -0.256 0.000 0.849 412 N CB -0.008 38.416 38.487 -0.106 0.000 0.992 412 N HN 0.638 nan 8.380 nan 0.000 0.460 413 F N -0.459 119.501 119.950 0.017 0.000 2.727 413 F HA 0.333 4.860 4.527 -0.000 0.000 0.302 413 F C 0.879 176.688 175.800 0.016 0.000 1.097 413 F CA -0.829 57.181 58.000 0.016 0.000 1.330 413 F CB -0.564 38.450 39.000 0.022 0.000 1.084 413 F HN -0.227 nan 8.300 nan 0.000 0.578 414 Q N 2.416 122.170 119.800 -0.077 0.000 2.664 414 Q HA 0.459 4.799 4.340 -0.000 0.000 0.223 414 Q C 0.676 176.692 176.000 0.026 0.000 1.298 414 Q CA -0.050 55.778 55.803 0.041 0.000 0.965 414 Q CB 0.372 29.044 28.738 -0.110 0.000 1.510 414 Q HN 0.376 nan 8.270 nan 0.000 0.567 415 A N 3.134 125.998 122.820 0.073 0.000 2.253 415 A HA 0.176 4.496 4.320 -0.000 0.000 0.225 415 A C 1.558 179.161 177.584 0.031 0.000 1.521 415 A CA 0.745 52.808 52.037 0.044 0.000 1.494 415 A CB -0.828 18.203 19.000 0.053 0.000 0.804 415 A HN 0.832 nan 8.150 nan 0.000 0.614 416 A N 0.061 122.894 122.820 0.021 0.000 1.972 416 A HA 0.118 4.438 4.320 -0.000 0.000 0.219 416 A C 2.400 179.996 177.584 0.021 0.000 1.169 416 A CA 1.742 53.790 52.037 0.018 0.000 0.635 416 A CB -0.599 18.406 19.000 0.009 0.000 0.810 416 A HN 1.166 nan 8.150 nan 0.000 0.446 417 A N -0.318 122.514 122.820 0.020 0.000 1.933 417 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 417 A C 2.331 179.938 177.584 0.037 0.000 1.175 417 A CA 1.899 53.957 52.037 0.035 0.000 0.628 417 A CB -0.984 18.034 19.000 0.031 0.000 0.814 417 A HN 1.191 nan 8.150 nan 0.000 0.444 418 V N -1.887 118.042 119.914 0.026 0.000 2.719 418 V HA 0.144 4.264 4.120 -0.000 0.000 0.252 418 V C 2.311 178.418 176.094 0.021 0.000 1.065 418 V CA 1.829 64.142 62.300 0.022 0.000 1.086 418 V CB -0.553 31.279 31.823 0.015 0.000 0.700 418 V HN 0.496 nan 8.190 nan 0.000 0.467 419 A N 0.550 123.383 122.820 0.022 0.000 1.968 419 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 419 A C 2.226 179.819 177.584 0.015 0.000 1.169 419 A CA 1.542 53.590 52.037 0.018 0.000 0.638 419 A CB -0.892 18.121 19.000 0.021 0.000 0.812 419 A HN 0.639 nan 8.150 nan 0.000 0.446 420 N N 0.438 119.149 118.700 0.019 0.000 2.188 420 N HA -0.096 4.644 4.740 -0.000 0.000 0.184 420 N C 1.160 176.679 175.510 0.015 0.000 1.018 420 N CA 1.614 54.673 53.050 0.015 0.000 0.858 420 N CB -0.322 38.181 38.487 0.026 0.000 0.989 420 N HN 0.584 nan 8.380 nan 0.000 0.426 424 K N 1.262 121.644 120.400 -0.031 0.000 2.026 424 K HA -0.007 4.313 4.320 -0.000 0.000 0.208 424 K C 2.089 178.666 176.600 -0.039 0.000 1.048 424 K CA 2.117 58.377 56.287 -0.045 0.000 0.929 424 K CB -0.156 32.309 32.500 -0.060 0.000 0.713 424 K HN 0.015 nan 8.250 nan 0.000 0.439 425 T N 0.597 115.133 114.554 -0.030 0.000 2.684 425 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 425 T C 1.823 176.510 174.700 -0.022 0.000 1.036 425 T CA 1.466 63.547 62.100 -0.031 0.000 1.148 425 T CB -0.198 68.649 68.868 -0.034 0.000 0.863 425 T HN 0.245 nan 8.240 nan 0.000 0.436 426 R N 0.317 120.807 120.500 -0.016 0.000 2.127 426 R HA -0.065 4.275 4.340 -0.000 0.000 0.238 426 R C 2.338 178.634 176.300 -0.006 0.000 1.134 426 R CA 1.060 57.155 56.100 -0.007 0.000 0.975 426 R CB -0.392 29.904 30.300 -0.007 0.000 0.865 426 R HN 0.302 nan 8.270 nan 0.000 0.447 427 L N -0.198 121.014 121.223 -0.019 0.000 2.109 427 L HA 0.107 4.447 4.340 -0.000 0.000 0.207 427 L C 2.036 178.892 176.870 -0.024 0.000 1.086 427 L CA 2.158 56.984 54.840 -0.023 0.000 0.760 427 L CB -0.808 41.226 42.059 -0.042 0.000 0.910 427 L HN 0.202 nan 8.230 nan 0.000 0.437 428 G N -0.242 108.539 108.800 -0.033 0.000 2.418 428 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 428 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 428 G C 1.596 176.503 174.900 0.012 0.000 1.158 428 G CA 0.994 46.074 45.100 -0.033 0.000 0.771 428 G HN 0.429 nan 8.290 nan 0.000 0.545 429 L N 0.701 121.935 121.223 0.020 0.000 2.079 429 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 429 L C 3.355 180.272 176.870 0.077 0.000 1.081 429 L CA 1.108 55.975 54.840 0.045 0.000 0.752 429 L CB -0.323 41.756 42.059 0.033 0.000 0.896 429 L HN 0.317 nan 8.230 nan 0.000 0.433 430 A N -0.938 121.922 122.820 0.067 0.000 1.968 430 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 430 A C 2.251 179.928 177.584 0.155 0.000 1.169 430 A CA 0.980 53.073 52.037 0.094 0.000 0.638 430 A CB -0.209 18.831 19.000 0.066 0.000 0.812 430 A HN 0.400 nan 8.150 nan 0.000 0.446 431 Q N -0.149 119.735 119.800 0.140 0.000 2.083 431 Q HA -0.038 4.302 4.340 -0.000 0.000 0.198 431 Q C 2.128 178.397 176.000 0.448 0.000 0.969 431 Q CA 1.163 57.117 55.803 0.251 0.000 0.838 431 Q CB -0.437 28.264 28.738 -0.062 0.000 0.900 431 Q HN 0.755 nan 8.270 nan 0.000 0.436 432 I N 0.698 121.432 120.570 0.274 0.000 2.179 432 I HA -0.210 3.960 4.170 -0.000 0.000 0.242 432 I C 2.377 178.654 176.117 0.266 0.000 1.088 432 I CA 1.339 62.803 61.300 0.274 0.000 1.357 432 I CB -0.762 37.340 38.000 0.170 0.000 1.051 432 I HN 0.231 nan 8.210 nan 0.000 0.409 433 G N 0.814 109.747 108.800 0.220 0.000 2.440 433 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.218 433 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.218 433 G C 1.667 176.715 174.900 0.247 0.000 1.154 433 G CA 1.074 46.300 45.100 0.211 0.000 0.767 433 G HN 0.200 nan 8.290 nan 0.000 0.552 434 K N 0.000 120.561 120.400 0.267 0.000 2.148 434 K HA 0.057 4.377 4.320 -0.000 0.000 0.204 434 K C 2.259 178.965 176.600 0.177 0.000 1.050 434 K CA 0.799 57.245 56.287 0.264 0.000 0.942 434 K CB -0.505 32.186 32.500 0.318 0.000 0.724 434 K HN 0.297 nan 8.250 nan 0.000 0.446 435 L N 0.784 122.093 121.223 0.144 0.000 2.007 435 L HA -0.060 4.280 4.340 -0.000 0.000 0.205 435 L C 1.259 178.153 176.870 0.040 0.000 1.073 435 L CA 1.897 56.698 54.840 -0.065 0.000 0.744 435 L CB -0.782 41.271 42.059 -0.010 0.000 0.898 435 L HN 0.214 nan 8.230 nan 0.000 0.435 436 N N -1.090 117.707 118.700 0.161 0.000 2.272 436 N HA -0.236 4.504 4.740 -0.000 0.000 0.185 436 N C 1.561 177.109 175.510 0.063 0.000 1.014 436 N CA 1.642 54.814 53.050 0.203 0.000 0.870 436 N CB -0.409 38.288 38.487 0.350 0.000 0.975 436 N HN 0.473 nan 8.380 nan 0.000 0.433 437 F N 1.353 121.301 119.950 -0.004 0.000 2.206 437 F HA -0.062 4.465 4.527 -0.000 0.000 0.298 437 F C 2.212 177.957 175.800 -0.093 0.000 1.090 437 F CA 1.281 59.252 58.000 -0.048 0.000 1.323 437 F CB -0.814 38.187 39.000 0.002 0.000 1.028 437 F HN 0.028 nan 8.300 nan 0.000 0.492 438 T N -1.841 112.539 114.554 -0.289 0.000 2.995 438 T HA -0.116 4.234 4.350 -0.000 0.000 0.269 438 T C 1.685 176.186 174.700 -0.332 0.000 1.091 438 T CA 1.235 63.098 62.100 -0.395 0.000 1.128 438 T CB -0.422 68.329 68.868 -0.195 0.000 0.891 438 T HN 0.466 nan 8.240 nan 0.000 0.492 439 Q N 0.003 119.653 119.800 -0.249 0.000 2.096 439 Q HA 0.170 4.510 4.340 -0.000 0.000 0.197 439 Q C 2.222 178.041 176.000 -0.302 0.000 0.964 439 Q CA 0.739 56.430 55.803 -0.187 0.000 0.838 439 Q CB -0.239 28.478 28.738 -0.036 0.000 0.906 439 Q HN 0.367 nan 8.270 nan 0.000 0.444 440 L N 0.406 121.338 121.223 -0.485 0.000 2.005 440 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 440 L C 2.354 179.001 176.870 -0.372 0.000 1.072 440 L CA 2.074 56.613 54.840 -0.502 0.000 0.744 440 L CB -0.982 40.753 42.059 -0.540 0.000 0.895 440 L HN 0.107 nan 8.230 nan 0.000 0.433 441 T N -0.908 113.336 114.554 -0.518 0.000 2.929 441 T HA -0.167 4.183 4.350 -0.000 0.000 0.271 441 T C 1.026 175.549 174.700 -0.295 0.000 1.085 441 T CA 0.832 62.661 62.100 -0.451 0.000 1.125 441 T CB -0.243 68.166 68.868 -0.765 0.000 0.874 441 T HN 0.560 nan 8.240 nan 0.000 0.494 445 N N 2.010 120.661 118.700 -0.081 0.000 2.401 445 N HA 0.302 5.042 4.740 -0.000 0.000 0.255 445 N C 0.941 176.420 175.510 -0.052 0.000 1.110 445 N CA 0.823 53.835 53.050 -0.064 0.000 0.949 445 N CB 2.047 40.486 38.487 -0.081 0.000 1.110 445 N HN 0.244 nan 8.380 nan 0.000 0.490 446 A N 3.670 126.470 122.820 -0.034 0.000 1.940 446 A HA 0.004 4.324 4.320 -0.000 0.000 0.219 446 A C 1.231 178.794 177.584 -0.035 0.000 1.176 446 A CA 1.477 53.496 52.037 -0.030 0.000 0.631 446 A CB -0.908 18.087 19.000 -0.009 0.000 0.814 446 A HN 0.655 nan 8.150 nan 0.000 0.446 450 R N 1.017 121.486 120.500 -0.051 0.000 3.531 450 R HA -0.062 4.278 4.340 -0.000 0.000 0.280 450 R C 0.858 177.132 176.300 -0.044 0.000 1.130 450 R CA 1.679 57.754 56.100 -0.042 0.000 0.757 450 R CB -1.980 28.299 30.300 -0.035 0.000 1.218 450 R HN 1.263 nan 8.270 nan 0.000 0.454 451 G N -1.628 107.138 108.800 -0.058 0.000 2.159 451 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.227 451 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.227 451 G C 0.158 175.012 174.900 -0.076 0.000 0.986 451 G CA -0.016 45.042 45.100 -0.069 0.000 0.651 451 G HN 0.308 nan 8.290 nan 0.000 0.523 452 L N 1.021 122.199 121.223 -0.075 0.000 2.453 452 L HA 0.430 4.770 4.340 -0.000 0.000 0.261 452 L C -1.584 175.241 176.870 -0.074 0.000 1.179 452 L CA -1.987 52.803 54.840 -0.083 0.000 0.813 452 L CB 0.592 42.596 42.059 -0.092 0.000 1.110 452 L HN -0.097 nan 8.230 nan 0.000 0.466 453 P HA 0.011 nan 4.420 nan 0.000 0.269 453 P C 0.322 177.603 177.300 -0.031 0.000 1.209 453 P CA 0.058 63.126 63.100 -0.053 0.000 0.776 453 P CB 0.967 32.639 31.700 -0.048 0.000 0.876 454 S N 1.886 117.575 115.700 -0.017 0.000 2.296 454 S HA -0.275 4.195 4.470 -0.000 0.000 0.442 454 S C 0.895 175.506 174.600 0.019 0.000 0.989 454 S CA 1.924 60.129 58.200 0.008 0.000 2.572 454 S CB -1.012 62.199 63.200 0.018 0.000 1.879 454 S HN 0.600 nan 8.310 nan 0.000 0.479 455 C N 1.826 121.155 119.300 0.049 0.000 2.294 455 C HA 0.564 5.024 4.460 -0.000 0.000 0.348 455 C C 0.266 175.285 174.990 0.049 0.000 1.355 455 C CA -0.427 58.628 59.018 0.062 0.000 1.774 455 C CB -1.668 26.154 27.740 0.137 0.000 2.259 455 C HN 0.701 nan 8.230 nan 0.000 0.570 456 L N 0.146 121.383 121.223 0.023 0.000 3.898 456 L HA -0.201 4.139 4.340 -0.000 0.000 0.407 456 L C 0.936 177.900 176.870 0.157 0.000 1.207 456 L CA 0.986 55.845 54.840 0.032 0.000 0.931 456 L CB -1.990 40.043 42.059 -0.043 0.000 2.014 456 L HN 0.606 nan 8.230 nan 0.000 0.858 457 A N -0.727 122.153 122.820 0.101 0.000 2.366 457 A HA 0.735 5.055 4.320 -0.000 0.000 0.272 457 A C 1.472 179.073 177.584 0.029 0.000 1.135 457 A CA 0.310 52.393 52.037 0.077 0.000 0.804 457 A CB 0.854 19.845 19.000 -0.016 0.000 1.064 457 A HN 0.695 nan 8.150 nan 0.000 0.499 458 A N 2.123 124.957 122.820 0.023 0.000 1.873 458 A HA 0.062 4.382 4.320 -0.000 0.000 0.215 458 A C 1.303 178.837 177.584 -0.083 0.000 1.186 458 A CA 1.187 53.248 52.037 0.040 0.000 0.616 458 A CB -0.251 18.821 19.000 0.121 0.000 0.823 458 A HN 0.785 nan 8.150 nan 0.000 0.442 459 E N 0.370 120.453 120.200 -0.195 0.000 3.232 459 E HA 0.200 4.550 4.350 -0.000 0.000 0.248 459 E C -0.875 175.645 176.600 -0.134 0.000 1.048 459 E CA -0.853 55.399 56.400 -0.246 0.000 1.204 459 E CB -0.343 29.087 29.700 -0.450 0.000 1.535 459 E HN 0.246 nan 8.360 nan 0.000 0.567 460 D N 2.099 122.441 120.400 -0.097 0.000 2.520 460 D HA -0.020 4.620 4.640 -0.000 0.000 0.243 460 D C -1.586 174.647 176.300 -0.111 0.000 1.160 460 D CA -0.715 53.245 54.000 -0.067 0.000 0.877 460 D CB 0.490 41.274 40.800 -0.027 0.000 1.150 460 D HN 0.037 nan 8.370 nan 0.000 0.494 461 P HA -0.166 nan 4.420 nan 0.000 0.219 461 P C 1.443 178.582 177.300 -0.269 0.000 1.146 461 P CA 1.077 64.076 63.100 -0.169 0.000 0.808 461 P CB 0.160 31.812 31.700 -0.080 0.000 0.779 462 S N -1.189 114.412 115.700 -0.165 0.000 2.440 462 S HA -0.107 4.363 4.470 -0.000 0.000 0.238 462 S C 1.266 175.747 174.600 -0.198 0.000 1.010 462 S CA 1.112 59.231 58.200 -0.133 0.000 0.972 462 S CB -1.043 62.119 63.200 -0.063 0.000 0.774 462 S HN 0.151 nan 8.310 nan 0.000 0.501 463 L N 0.791 121.865 121.223 -0.249 0.000 3.347 463 L HA 0.463 4.803 4.340 -0.000 0.000 0.306 463 L C -0.051 176.650 176.870 -0.282 0.000 1.301 463 L CA -0.242 54.471 54.840 -0.212 0.000 0.985 463 L CB 1.063 43.079 42.059 -0.071 0.000 1.400 463 L HN 0.226 nan 8.230 nan 0.000 0.601 464 S N -0.696 114.682 115.700 -0.538 0.000 2.649 464 S HA 0.465 4.935 4.470 -0.000 0.000 0.274 464 S C -0.942 173.331 174.600 -0.545 0.000 1.176 464 S CA -0.249 57.725 58.200 -0.377 0.000 0.988 464 S CB 0.734 63.820 63.200 -0.191 0.000 1.071 464 S HN 0.261 nan 8.310 nan 0.000 0.478 465 Y N 4.100 124.438 120.300 0.064 0.000 2.715 465 Y HA 0.317 4.867 4.550 0.000 0.000 0.255 465 Y C 1.550 177.530 175.900 0.133 0.000 1.139 465 Y CA -0.397 57.746 58.100 0.072 0.000 1.151 465 Y CB -0.289 38.197 38.460 0.042 0.000 1.201 465 Y HN 0.960 nan 8.280 nan 0.000 0.556 466 H N -0.044 119.091 119.070 0.108 0.000 1.651 466 H HA -0.411 4.145 4.556 0.000 0.000 0.133 466 H C 0.871 176.286 175.328 0.145 0.000 1.158 466 H CA 2.279 58.398 56.048 0.119 0.000 1.803 466 H CB -0.232 29.589 29.762 0.098 0.000 2.152 466 H HN 0.442 nan 8.280 nan 0.000 0.920 467 C N 1.329 120.680 119.300 0.084 0.000 2.693 467 C HA 0.139 4.599 4.460 -0.000 0.000 0.286 467 C C 2.253 177.268 174.990 0.042 0.000 1.277 467 C CA -0.263 58.749 59.018 -0.010 0.000 1.705 467 C CB -0.668 26.998 27.740 -0.123 0.000 1.879 467 C HN 0.523 nan 8.230 nan 0.000 0.607 468 K N 1.844 122.298 120.400 0.089 0.000 2.103 468 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 468 K C 2.112 178.724 176.600 0.020 0.000 1.048 468 K CA 1.823 58.143 56.287 0.056 0.000 0.930 468 K CB -0.344 32.199 32.500 0.072 0.000 0.716 468 K HN 0.559 nan 8.250 nan 0.000 0.444 469 G N 1.019 109.837 108.800 0.031 0.000 2.422 469 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 469 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 469 G C 1.470 176.360 174.900 -0.016 0.000 1.140 469 G CA 0.330 45.429 45.100 -0.001 0.000 0.775 469 G HN 0.192 nan 8.290 nan 0.000 0.545 470 L N 0.273 121.499 121.223 0.006 0.000 2.141 470 L HA -0.025 4.315 4.340 -0.000 0.000 0.209 470 L C 2.470 179.347 176.870 0.011 0.000 1.094 470 L CA 1.208 56.054 54.840 0.010 0.000 0.763 470 L CB -0.247 41.838 42.059 0.042 0.000 0.908 470 L HN 0.185 nan 8.230 nan 0.000 0.437 471 D N 0.529 120.936 120.400 0.012 0.000 2.144 471 D HA -0.173 4.467 4.640 -0.000 0.000 0.199 471 D C 2.156 178.484 176.300 0.047 0.000 0.984 471 D CA 1.182 55.200 54.000 0.030 0.000 0.834 471 D CB 0.094 40.896 40.800 0.003 0.000 0.955 471 D HN 0.249 nan 8.370 nan 0.000 0.465 472 I N 0.171 120.731 120.570 -0.016 0.000 2.286 472 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 472 I C 2.442 178.461 176.117 -0.164 0.000 1.104 472 I CA 0.893 62.157 61.300 -0.060 0.000 1.397 472 I CB -0.277 37.681 38.000 -0.071 0.000 1.072 472 I HN 0.034 nan 8.210 nan 0.000 0.417 473 A N 0.899 123.584 122.820 -0.225 0.000 1.877 473 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 473 A C 2.569 179.692 177.584 -0.769 0.000 1.186 473 A CA 1.881 53.594 52.037 -0.539 0.000 0.620 473 A CB -0.953 17.803 19.000 -0.408 0.000 0.822 473 A HN 0.417 nan 8.150 nan 0.000 0.443 474 A N -0.128 122.544 122.820 -0.246 0.000 1.948 474 A HA 0.031 4.351 4.320 -0.000 0.000 0.220 474 A C 2.492 180.016 177.584 -0.101 0.000 1.177 474 A CA 2.484 54.556 52.037 0.059 0.000 0.636 474 A CB -1.036 18.154 19.000 0.316 0.000 0.815 474 A HN 1.137 nan 8.150 nan 0.000 0.449 475 A N -0.345 122.365 122.820 -0.182 0.000 1.898 475 A HA 0.190 4.510 4.320 -0.000 0.000 0.216 475 A C 2.531 179.886 177.584 -0.383 0.000 1.181 475 A CA 2.063 53.809 52.037 -0.484 0.000 0.620 475 A CB -1.060 17.809 19.000 -0.219 0.000 0.819 475 A HN 1.122 nan 8.150 nan 0.000 0.442 476 A N -0.964 121.648 122.820 -0.347 0.000 1.908 476 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 476 A C 2.112 179.607 177.584 -0.149 0.000 1.181 476 A CA 1.546 53.418 52.037 -0.275 0.000 0.627 476 A CB -0.939 17.865 19.000 -0.326 0.000 0.818 476 A HN 0.687 nan 8.150 nan 0.000 0.445 477 Y N 0.114 120.361 120.300 -0.088 0.000 2.145 477 Y HA -0.196 4.354 4.550 -0.000 0.000 0.286 477 Y C 3.029 178.885 175.900 -0.072 0.000 1.145 477 Y CA 1.148 59.215 58.100 -0.056 0.000 1.148 477 Y CB -0.831 37.619 38.460 -0.016 0.000 0.981 477 Y HN 0.259 nan 8.280 nan 0.000 0.507 478 T N -0.529 114.027 114.554 0.003 0.000 2.720 478 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 478 T C 2.067 176.723 174.700 -0.074 0.000 1.037 478 T CA 1.610 63.659 62.100 -0.085 0.000 1.144 478 T CB -0.435 68.215 68.868 -0.364 0.000 0.864 478 T HN 0.281 nan 8.240 nan 0.000 0.444 479 S N 0.832 116.460 115.700 -0.119 0.000 2.353 479 S HA -0.155 4.315 4.470 -0.000 0.000 0.222 479 S C 2.066 176.668 174.600 0.003 0.000 1.035 479 S CA 1.308 59.466 58.200 -0.070 0.000 1.025 479 S CB -0.349 62.793 63.200 -0.096 0.000 0.902 479 S HN 0.597 nan 8.310 nan 0.000 0.440 480 E N 0.692 120.903 120.200 0.020 0.000 2.118 480 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 480 E C 1.942 178.598 176.600 0.094 0.000 0.992 480 E CA 0.810 57.244 56.400 0.057 0.000 0.804 480 E CB -0.139 29.601 29.700 0.067 0.000 0.741 480 E HN 0.423 nan 8.360 nan 0.000 0.458 481 L N -0.346 120.924 121.223 0.078 0.000 2.141 481 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 481 L C 2.503 179.415 176.870 0.071 0.000 1.094 481 L CA 1.044 55.929 54.840 0.075 0.000 0.763 481 L CB -0.468 41.636 42.059 0.075 0.000 0.908 481 L HN 0.280 nan 8.230 nan 0.000 0.437 482 G N -1.086 107.756 108.800 0.070 0.000 2.404 482 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.215 482 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.215 482 G C 1.360 176.303 174.900 0.071 0.000 1.174 482 G CA 0.966 46.105 45.100 0.064 0.000 0.780 482 G HN 0.474 nan 8.290 nan 0.000 0.537 483 H N 0.172 119.248 119.070 0.009 0.000 2.421 483 H HA 0.129 4.685 4.556 -0.000 0.000 0.298 483 H C 2.371 177.705 175.328 0.011 0.000 1.087 483 H CA 1.163 57.216 56.048 0.007 0.000 1.330 483 H CB -0.183 29.579 29.762 -0.000 0.000 1.388 483 H HN 0.284 nan 8.280 nan 0.000 0.526 484 L N -0.155 121.087 121.223 0.031 0.000 2.141 484 L HA -0.047 4.293 4.340 -0.000 0.000 0.209 484 L C 2.695 179.530 176.870 -0.058 0.000 1.094 484 L CA 0.813 55.642 54.840 -0.018 0.000 0.763 484 L CB -0.469 41.624 42.059 0.057 0.000 0.908 484 L HN 0.472 nan 8.230 nan 0.000 0.437 485 A N -0.519 122.282 122.820 -0.031 0.000 2.125 485 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 485 A C 0.918 178.476 177.584 -0.043 0.000 1.156 485 A CA 0.610 52.632 52.037 -0.025 0.000 0.671 485 A CB -0.696 18.302 19.000 -0.002 0.000 0.794 485 A HN 0.401 nan 8.150 nan 0.000 0.459 486 N N 1.102 119.754 118.700 -0.079 0.000 2.441 486 N HA 0.177 4.917 4.740 -0.000 0.000 0.251 486 N C -2.587 172.906 175.510 -0.028 0.000 1.242 486 N CA -1.010 52.005 53.050 -0.059 0.000 0.898 486 N CB 0.071 38.505 38.487 -0.087 0.000 1.100 486 N HN 0.266 nan 8.380 nan 0.000 0.443 487 P HA 0.047 nan 4.420 nan 0.000 0.271 487 P C 0.417 177.767 177.300 0.084 0.000 1.216 487 P CA -0.191 62.917 63.100 0.012 0.000 0.776 487 P CB 1.080 32.770 31.700 -0.017 0.000 0.881 488 V N 2.396 122.359 119.914 0.081 0.000 2.672 488 V HA -0.106 4.014 4.120 -0.000 0.000 0.242 488 V C 2.642 178.826 176.094 0.149 0.000 1.059 488 V CA 2.243 64.633 62.300 0.150 0.000 1.081 488 V CB -1.472 30.390 31.823 0.064 0.000 0.752 488 V HN 0.680 nan 8.190 nan 0.000 0.472 489 T N -0.825 113.761 114.554 0.055 0.000 2.946 489 T HA -0.200 4.150 4.350 -0.000 0.000 0.271 489 T C 1.526 176.209 174.700 -0.027 0.000 1.104 489 T CA 1.802 63.914 62.100 0.020 0.000 1.114 489 T CB -0.802 68.068 68.868 0.004 0.000 0.867 489 T HN 0.605 nan 8.240 nan 0.000 0.513 490 T N -1.403 113.084 114.554 -0.112 0.000 3.148 490 T HA 0.054 4.404 4.350 -0.000 0.000 0.253 490 T C 0.915 175.393 174.700 -0.369 0.000 1.134 490 T CA 0.073 62.026 62.100 -0.246 0.000 1.051 490 T CB -0.403 68.265 68.868 -0.332 0.000 0.959 490 T HN 0.564 nan 8.240 nan 0.000 0.525 491 H N 0.816 119.882 119.070 -0.006 0.000 2.488 491 H HA 0.394 4.950 4.556 0.000 0.000 0.294 491 H C 0.118 175.447 175.328 0.002 0.000 1.088 491 H CA -0.479 55.567 56.048 -0.003 0.000 1.086 491 H CB 0.101 29.860 29.762 -0.005 0.000 1.569 491 H HN 0.251 nan 8.280 nan 0.000 0.548 492 V N 2.555 122.507 119.914 0.063 0.000 2.673 492 V HA -0.046 4.074 4.120 -0.000 0.000 0.303 492 V C 0.575 176.696 176.094 0.044 0.000 1.046 492 V CA 0.220 62.549 62.300 0.049 0.000 1.126 492 V CB 1.117 32.956 31.823 0.027 0.000 0.934 492 V HN 0.330 nan 8.190 nan 0.000 0.487 493 Q N 5.174 124.999 119.800 0.042 0.000 2.348 493 Q HA 0.418 4.758 4.340 -0.000 0.000 0.271 493 Q C -2.476 173.540 176.000 0.027 0.000 1.067 493 Q CA -2.259 53.564 55.803 0.034 0.000 0.839 493 Q CB 1.759 30.517 28.738 0.033 0.000 1.354 493 Q HN 0.475 nan 8.270 nan 0.000 0.447 494 P HA 0.180 nan 4.420 nan 0.000 0.268 494 P C -0.949 176.360 177.300 0.016 0.000 1.485 494 P CA 0.138 63.249 63.100 0.018 0.000 1.102 494 P CB -0.004 31.705 31.700 0.014 0.000 1.501 495 A N 2.659 125.490 122.820 0.018 0.000 2.271 495 A HA 0.413 4.733 4.320 -0.000 0.000 0.288 495 A C 0.543 178.131 177.584 0.007 0.000 1.094 495 A CA -0.331 51.715 52.037 0.014 0.000 0.828 495 A CB 0.119 19.129 19.000 0.017 0.000 1.091 495 A HN 0.599 nan 8.150 nan 0.000 0.493 499 N N 0.159 118.863 118.700 0.008 0.000 2.216 499 N HA -0.078 4.662 4.740 -0.000 0.000 0.183 499 N C 0.602 176.130 175.510 0.029 0.000 1.017 499 N CA 0.822 53.879 53.050 0.013 0.000 0.861 499 N CB 0.007 38.494 38.487 -0.001 0.000 0.986 499 N HN 0.577 nan 8.380 nan 0.000 0.428 500 Q N 0.415 120.230 119.800 0.025 0.000 2.819 500 Q HA 0.343 4.683 4.340 -0.000 0.000 0.392 500 Q C 0.352 176.377 176.000 0.042 0.000 1.088 500 Q CA -0.426 55.403 55.803 0.042 0.000 1.062 500 Q CB 1.019 29.773 28.738 0.025 0.000 1.369 500 Q HN 0.281 nan 8.270 nan 0.000 0.434 501 A N 0.649 123.492 122.820 0.039 0.000 2.125 501 A HA -0.015 4.305 4.320 -0.000 0.000 0.219 501 A C 0.996 178.601 177.584 0.034 0.000 1.156 501 A CA 0.851 52.906 52.037 0.031 0.000 0.671 501 A CB 0.097 19.112 19.000 0.025 0.000 0.794 501 A HN 0.348 nan 8.150 nan 0.000 0.459 502 V N -1.131 118.812 119.914 0.048 0.000 2.623 502 V HA 0.672 4.792 4.120 -0.000 0.000 0.304 502 V C -1.374 174.761 176.094 0.068 0.000 1.054 502 V CA -0.903 61.425 62.300 0.047 0.000 0.882 502 V CB 1.215 33.062 31.823 0.039 0.000 1.002 502 V HN 0.514 nan 8.190 nan 0.000 0.424 503 N N 1.671 120.408 118.700 0.061 0.000 2.277 503 N HA 0.535 5.275 4.740 -0.000 0.000 0.286 503 N C 0.697 176.244 175.510 0.061 0.000 1.140 503 N CA -0.279 52.817 53.050 0.076 0.000 0.799 503 N CB 2.072 40.599 38.487 0.067 0.000 1.596 503 N HN 0.619 nan 8.380 nan 0.000 0.473 504 S N 1.602 117.343 115.700 0.069 0.000 2.355 504 S HA -0.094 4.376 4.470 -0.000 0.000 0.222 504 S C 0.920 175.546 174.600 0.043 0.000 1.031 504 S CA 0.850 59.081 58.200 0.051 0.000 0.993 504 S CB -0.767 62.466 63.200 0.055 0.000 0.859 504 S HN 0.674 nan 8.310 nan 0.000 0.453 505 L N -0.395 120.854 121.223 0.045 0.000 4.140 505 L HA -0.245 4.095 4.340 -0.000 0.000 0.406 505 L C 1.718 178.606 176.870 0.030 0.000 1.175 505 L CA 0.067 54.929 54.840 0.037 0.000 0.939 505 L CB -2.488 39.596 42.059 0.041 0.000 2.105 505 L HN 0.483 nan 8.230 nan 0.000 0.803 506 A N 0.328 123.167 122.820 0.031 0.000 1.859 506 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 506 A C 1.889 179.482 177.584 0.016 0.000 1.198 506 A CA 2.223 54.274 52.037 0.024 0.000 0.629 506 A CB -0.277 18.739 19.000 0.027 0.000 0.830 506 A HN 0.427 nan 8.150 nan 0.000 0.446 507 L N 0.028 121.260 121.223 0.015 0.000 2.043 507 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 507 L C 2.301 179.173 176.870 0.003 0.000 1.075 507 L CA 1.975 56.819 54.840 0.006 0.000 0.752 507 L CB -0.436 41.625 42.059 0.004 0.000 0.891 507 L HN 0.489 nan 8.230 nan 0.000 0.432 508 I N -1.740 118.834 120.570 0.006 0.000 2.226 508 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 508 I C 2.620 178.739 176.117 0.004 0.000 1.100 508 I CA 1.481 62.783 61.300 0.003 0.000 1.374 508 I CB -0.521 37.483 38.000 0.007 0.000 1.057 508 I HN 0.273 nan 8.210 nan 0.000 0.413 509 S N 0.347 116.053 115.700 0.009 0.000 2.383 509 S HA -0.109 4.361 4.470 -0.000 0.000 0.227 509 S C 2.164 176.766 174.600 0.003 0.000 1.026 509 S CA 1.290 59.495 58.200 0.008 0.000 0.981 509 S CB -0.149 63.058 63.200 0.012 0.000 0.818 509 S HN 0.479 nan 8.310 nan 0.000 0.472 510 A N 1.289 124.111 122.820 0.003 0.000 1.969 510 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 510 A C 2.181 179.764 177.584 -0.003 0.000 1.169 510 A CA 1.075 53.111 52.037 -0.001 0.000 0.635 510 A CB -0.436 18.563 19.000 -0.002 0.000 0.810 510 A HN 0.542 nan 8.150 nan 0.000 0.445 511 R N -0.880 119.618 120.500 -0.004 0.000 2.075 511 R HA -0.047 4.293 4.340 -0.000 0.000 0.232 511 R C 2.334 178.633 176.300 -0.001 0.000 1.126 511 R CA 1.182 57.279 56.100 -0.006 0.000 0.963 511 R CB -0.216 30.078 30.300 -0.010 0.000 0.858 511 R HN 0.290 nan 8.270 nan 0.000 0.435 512 R N -0.087 120.413 120.500 0.000 0.000 2.096 512 R HA -0.045 4.295 4.340 -0.000 0.000 0.235 512 R C 2.096 178.401 176.300 0.007 0.000 1.127 512 R CA 1.492 57.595 56.100 0.005 0.000 0.968 512 R CB -0.879 29.421 30.300 -0.000 0.000 0.861 512 R HN 0.249 nan 8.270 nan 0.000 0.440 513 T N 0.508 115.064 114.554 0.003 0.000 2.867 513 T HA -0.067 4.283 4.350 -0.000 0.000 0.268 513 T C 1.731 176.435 174.700 0.006 0.000 1.057 513 T CA 1.629 63.731 62.100 0.003 0.000 1.136 513 T CB -0.139 68.728 68.868 -0.002 0.000 0.874 513 T HN 0.281 nan 8.240 nan 0.000 0.466 514 T N 1.495 116.052 114.554 0.005 0.000 2.821 514 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 514 T C 1.913 176.621 174.700 0.013 0.000 1.046 514 T CA 1.150 63.254 62.100 0.006 0.000 1.139 514 T CB -0.143 68.725 68.868 -0.001 0.000 0.871 514 T HN 0.535 nan 8.240 nan 0.000 0.454 515 E N 0.590 120.798 120.200 0.014 0.000 2.106 515 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 515 E C 2.252 178.868 176.600 0.027 0.000 0.984 515 E CA 0.949 57.361 56.400 0.021 0.000 0.806 515 E CB -0.011 29.702 29.700 0.021 0.000 0.750 515 E HN 0.299 nan 8.360 nan 0.000 0.458 516 S N 0.773 116.489 115.700 0.026 0.000 2.383 516 S HA -0.107 4.363 4.470 -0.000 0.000 0.227 516 S C 1.652 176.270 174.600 0.030 0.000 1.026 516 S CA 0.821 59.039 58.200 0.031 0.000 0.981 516 S CB -0.275 62.941 63.200 0.027 0.000 0.818 516 S HN 0.325 nan 8.310 nan 0.000 0.472 517 N N 1.560 120.275 118.700 0.026 0.000 2.069 517 N HA -0.130 4.610 4.740 -0.000 0.000 0.191 517 N C 1.473 177.006 175.510 0.038 0.000 1.031 517 N CA 1.338 54.405 53.050 0.028 0.000 0.852 517 N CB -0.670 37.830 38.487 0.022 0.000 1.018 517 N HN 0.353 nan 8.380 nan 0.000 0.423 518 D N 0.258 120.685 120.400 0.043 0.000 2.097 518 D HA -0.074 4.566 4.640 -0.000 0.000 0.195 518 D C 1.815 178.155 176.300 0.067 0.000 0.989 518 D CA 0.610 54.658 54.000 0.080 0.000 0.827 518 D CB 0.022 40.868 40.800 0.077 0.000 0.966 518 D HN -0.027 nan 8.370 nan 0.000 0.456 519 V N 0.662 120.585 119.914 0.016 0.000 2.809 519 V HA -0.111 4.009 4.120 -0.000 0.000 0.256 519 V C 2.443 178.501 176.094 -0.060 0.000 1.080 519 V CA 0.770 63.040 62.300 -0.050 0.000 1.102 519 V CB -0.234 31.589 31.823 0.001 0.000 0.705 519 V HN 0.356 nan 8.190 nan 0.000 0.475 520 L N -0.678 120.551 121.223 0.011 0.000 2.179 520 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 520 L C 2.483 179.379 176.870 0.042 0.000 1.096 520 L CA 1.111 55.974 54.840 0.039 0.000 0.779 520 L CB -0.106 41.989 42.059 0.059 0.000 0.922 520 L HN 0.358 nan 8.230 nan 0.000 0.443 521 S N 0.168 115.907 115.700 0.064 0.000 2.382 521 S HA -0.152 4.318 4.470 -0.000 0.000 0.228 521 S C 1.880 176.581 174.600 0.169 0.000 1.027 521 S CA 1.061 59.337 58.200 0.126 0.000 0.991 521 S CB -0.139 63.142 63.200 0.136 0.000 0.823 521 S HN 0.318 nan 8.310 nan 0.000 0.469 522 L N 0.662 121.877 121.223 -0.014 0.000 2.017 522 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 522 L C 2.378 179.076 176.870 -0.287 0.000 1.073 522 L CA 0.825 55.458 54.840 -0.344 0.000 0.745 522 L CB -0.511 40.989 42.059 -0.933 0.000 0.894 522 L HN 0.296 nan 8.230 nan 0.000 0.432 523 L N -0.123 120.957 121.223 -0.239 0.000 2.017 523 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 523 L C 2.190 179.179 176.870 0.199 0.000 1.073 523 L CA 1.837 56.748 54.840 0.118 0.000 0.745 523 L CB -0.491 41.681 42.059 0.189 0.000 0.894 523 L HN 0.129 nan 8.230 nan 0.000 0.432 524 L N -0.822 120.494 121.223 0.155 0.000 2.313 524 L HA -0.014 4.326 4.340 -0.000 0.000 0.214 524 L C 2.526 179.496 176.870 0.166 0.000 1.119 524 L CA 0.681 55.625 54.840 0.173 0.000 0.809 524 L CB -0.836 41.293 42.059 0.117 0.000 0.933 524 L HN 0.362 nan 8.230 nan 0.000 0.449 525 A N -0.164 122.754 122.820 0.163 0.000 1.929 525 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 525 A C 2.360 180.067 177.584 0.205 0.000 1.176 525 A CA 1.877 54.022 52.037 0.180 0.000 0.628 525 A CB -0.606 18.516 19.000 0.203 0.000 0.816 525 A HN 0.296 nan 8.150 nan 0.000 0.444 526 T N -1.460 113.220 114.554 0.211 0.000 2.737 526 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 526 T C 1.830 176.715 174.700 0.308 0.000 1.038 526 T CA 1.566 63.811 62.100 0.242 0.000 1.144 526 T CB -0.455 68.579 68.868 0.276 0.000 0.866 526 T HN 0.765 nan 8.240 nan 0.000 0.434 527 H N 0.057 119.227 119.070 0.166 0.000 2.353 527 H HA -0.048 4.508 4.556 -0.000 0.000 0.300 527 H C 2.312 177.706 175.328 0.109 0.000 1.090 527 H CA 0.869 56.992 56.048 0.123 0.000 1.327 527 H CB -0.091 29.737 29.762 0.109 0.000 1.383 527 H HN 0.120 nan 8.280 nan 0.000 0.508 528 L N 0.505 121.842 121.223 0.189 0.000 2.017 528 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 528 L C 2.223 179.176 176.870 0.137 0.000 1.073 528 L CA 1.789 56.683 54.840 0.090 0.000 0.745 528 L CB -1.275 40.841 42.059 0.095 0.000 0.894 528 L HN 0.358 nan 8.230 nan 0.000 0.432 529 Y N -0.299 120.049 120.300 0.080 0.000 2.053 529 Y HA -0.359 4.191 4.550 -0.000 0.000 0.277 529 Y C 2.697 178.624 175.900 0.045 0.000 1.159 529 Y CA 2.242 60.378 58.100 0.061 0.000 1.125 529 Y CB -0.907 37.595 38.460 0.070 0.000 0.969 529 Y HN 0.319 nan 8.280 nan 0.000 0.492 530 C N -0.387 118.989 119.300 0.128 0.000 2.413 530 C HA -0.202 4.258 4.460 -0.000 0.000 0.276 530 C C 2.856 177.816 174.990 -0.050 0.000 1.236 530 C CA 1.382 60.391 59.018 -0.014 0.000 1.735 530 C CB -1.616 26.170 27.740 0.077 0.000 2.031 530 C HN 0.654 nan 8.230 nan 0.000 0.474 531 V N -0.181 119.761 119.914 0.046 0.000 2.332 531 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 531 V C 2.288 178.351 176.094 -0.053 0.000 1.055 531 V CA 1.833 64.135 62.300 0.003 0.000 1.038 531 V CB -1.172 30.664 31.823 0.021 0.000 0.651 531 V HN 0.354 nan 8.190 nan 0.000 0.450 532 L N 0.004 121.190 121.223 -0.062 0.000 2.012 532 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 532 L C 2.788 179.609 176.870 -0.081 0.000 1.073 532 L CA 2.015 56.818 54.840 -0.062 0.000 0.748 532 L CB -1.437 40.527 42.059 -0.158 0.000 0.891 532 L HN 0.411 nan 8.230 nan 0.000 0.431 533 Q N -1.328 118.364 119.800 -0.180 0.000 2.291 533 Q HA -0.062 4.278 4.340 -0.000 0.000 0.205 533 Q C 2.094 178.032 176.000 -0.103 0.000 0.970 533 Q CA 1.295 57.022 55.803 -0.127 0.000 0.876 533 Q CB 0.129 28.766 28.738 -0.168 0.000 0.935 533 Q HN 0.553 nan 8.270 nan 0.000 0.455 534 A N 0.827 123.571 122.820 -0.125 0.000 1.935 534 A HA -0.077 4.243 4.320 -0.000 0.000 0.214 534 A C 1.960 179.408 177.584 -0.227 0.000 1.178 534 A CA 0.849 52.795 52.037 -0.152 0.000 0.640 534 A CB -0.537 18.381 19.000 -0.138 0.000 0.825 534 A HN 0.494 nan 8.150 nan 0.000 0.447 535 I N -2.962 117.476 120.570 -0.219 0.000 2.439 535 I HA -0.113 4.057 4.170 -0.000 0.000 0.251 535 I C 1.407 177.379 176.117 -0.241 0.000 1.139 535 I CA 1.782 62.866 61.300 -0.359 0.000 1.438 535 I CB -0.368 37.481 38.000 -0.252 0.000 1.085 535 I HN 0.000 nan 8.210 nan 0.000 0.427 536 D N 1.561 121.888 120.400 -0.122 0.000 2.097 536 D HA -0.110 4.530 4.640 -0.000 0.000 0.195 536 D C 2.180 178.247 176.300 -0.389 0.000 0.989 536 D CA 1.298 55.172 54.000 -0.210 0.000 0.827 536 D CB -0.126 40.563 40.800 -0.184 0.000 0.966 536 D HN 0.291 nan 8.370 nan 0.000 0.456 537 L N 0.611 121.655 121.223 -0.298 0.000 2.131 537 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 537 L C 2.285 179.006 176.870 -0.248 0.000 1.092 537 L CA 1.116 55.799 54.840 -0.262 0.000 0.759 537 L CB -0.699 41.262 42.059 -0.162 0.000 0.903 537 L HN -0.084 nan 8.230 nan 0.000 0.435 538 R N -0.182 120.137 120.500 -0.302 0.000 2.115 538 R HA 0.018 4.358 4.340 -0.000 0.000 0.226 538 R C 2.170 178.261 176.300 -0.349 0.000 1.100 538 R CA 1.258 57.139 56.100 -0.366 0.000 0.980 538 R CB -0.438 29.471 30.300 -0.651 0.000 0.875 538 R HN 0.277 nan 8.270 nan 0.000 0.445 539 A N 0.601 123.283 122.820 -0.230 0.000 1.877 539 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 539 A C 2.216 179.761 177.584 -0.065 0.000 1.186 539 A CA 1.598 53.573 52.037 -0.103 0.000 0.620 539 A CB -0.618 18.419 19.000 0.060 0.000 0.822 539 A HN 0.345 nan 8.150 nan 0.000 0.443 540 I N -0.476 120.004 120.570 -0.150 0.000 2.264 540 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 540 I C 2.582 178.740 176.117 0.067 0.000 1.111 540 I CA 1.812 63.068 61.300 -0.075 0.000 1.382 540 I CB -0.291 37.580 38.000 -0.216 0.000 1.060 540 I HN 0.559 nan 8.210 nan 0.000 0.418 541 E N 1.121 121.346 120.200 0.042 0.000 2.077 541 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 541 E C 2.287 179.120 176.600 0.388 0.000 0.989 541 E CA 1.309 57.813 56.400 0.173 0.000 0.800 541 E CB -0.096 29.684 29.700 0.134 0.000 0.746 541 E HN 0.495 nan 8.360 nan 0.000 0.452 542 F N 0.448 120.381 119.950 -0.028 0.000 2.163 542 F HA -0.114 4.413 4.527 -0.000 0.000 0.297 542 F C 2.520 178.359 175.800 0.065 0.000 1.094 542 F CA 0.449 58.400 58.000 -0.082 0.000 1.290 542 F CB 0.078 38.755 39.000 -0.538 0.000 1.017 542 F HN 0.058 nan 8.300 nan 0.000 0.483 543 E N 0.470 120.862 120.200 0.319 0.000 2.160 543 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 543 E C 1.726 178.476 176.600 0.251 0.000 0.991 543 E CA 1.187 57.757 56.400 0.283 0.000 0.810 543 E CB -0.464 29.386 29.700 0.251 0.000 0.742 543 E HN 0.424 nan 8.360 nan 0.000 0.466 544 F N 0.905 120.931 119.950 0.126 0.000 2.118 544 F HA -0.021 4.506 4.527 -0.000 0.000 0.293 544 F C 1.872 177.752 175.800 0.135 0.000 1.102 544 F CA 1.296 59.358 58.000 0.103 0.000 1.247 544 F CB -0.031 39.012 39.000 0.071 0.000 1.017 544 F HN -0.145 nan 8.300 nan 0.000 0.475 545 K N 0.453 121.044 120.400 0.319 0.000 2.160 545 K HA -0.217 4.103 4.320 -0.000 0.000 0.206 545 K C 2.035 178.658 176.600 0.040 0.000 1.047 545 K CA 1.660 58.056 56.287 0.181 0.000 0.930 545 K CB -0.184 32.402 32.500 0.145 0.000 0.720 545 K HN 0.332 nan 8.250 nan 0.000 0.450 546 K N 0.677 121.105 120.400 0.046 0.000 2.057 546 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 546 K C 2.176 178.762 176.600 -0.024 0.000 1.049 546 K CA 1.500 57.801 56.287 0.023 0.000 0.931 546 K CB -0.003 32.539 32.500 0.070 0.000 0.714 546 K HN 0.242 nan 8.250 nan 0.000 0.440 547 Q N -0.847 118.914 119.800 -0.065 0.000 2.250 547 Q HA -0.038 4.302 4.340 -0.000 0.000 0.200 547 Q C 1.782 177.691 176.000 -0.151 0.000 0.941 547 Q CA 0.607 56.349 55.803 -0.102 0.000 0.872 547 Q CB 0.054 28.734 28.738 -0.098 0.000 0.965 547 Q HN 0.177 nan 8.270 nan 0.000 0.480 548 F N 0.946 120.610 119.950 -0.477 0.000 2.206 548 F HA 0.042 4.569 4.527 -0.000 0.000 0.298 548 F C 2.016 177.703 175.800 -0.189 0.000 1.090 548 F CA 1.306 59.024 58.000 -0.469 0.000 1.323 548 F CB -0.665 37.849 39.000 -0.810 0.000 1.028 548 F HN 0.026 nan 8.300 nan 0.000 0.492 549 G N 1.718 110.439 108.800 -0.131 0.000 2.599 549 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 549 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 549 G C -0.475 174.317 174.900 -0.180 0.000 1.193 549 G CA 1.186 46.208 45.100 -0.130 0.000 0.778 549 G HN 0.351 nan 8.290 nan 0.000 0.589 550 P HA -0.013 nan 4.420 nan 0.000 0.217 550 P C 2.005 179.217 177.300 -0.146 0.000 1.150 550 P CA 1.879 64.911 63.100 -0.113 0.000 0.832 550 P CB -0.197 31.457 31.700 -0.077 0.000 0.787 551 A N 0.150 122.837 122.820 -0.222 0.000 1.972 551 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 551 A C 2.348 179.778 177.584 -0.256 0.000 1.169 551 A CA 1.284 53.185 52.037 -0.225 0.000 0.635 551 A CB -1.481 17.374 19.000 -0.242 0.000 0.810 551 A HN 0.144 nan 8.150 nan 0.000 0.446 552 I N -0.571 119.758 120.570 -0.401 0.000 2.142 552 I HA -0.214 3.956 4.170 -0.000 0.000 0.240 552 I C 2.338 178.465 176.117 0.017 0.000 1.078 552 I CA 1.265 62.441 61.300 -0.207 0.000 1.343 552 I CB -0.675 37.207 38.000 -0.197 0.000 1.046 552 I HN 0.139 nan 8.210 nan 0.000 0.405 553 V N 0.315 120.214 119.914 -0.025 0.000 2.287 553 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 553 V C 2.695 178.811 176.094 0.038 0.000 1.053 553 V CA 2.355 64.664 62.300 0.015 0.000 1.027 553 V CB -0.797 31.018 31.823 -0.014 0.000 0.646 553 V HN 0.501 nan 8.190 nan 0.000 0.447 554 S N -0.403 115.301 115.700 0.007 0.000 2.365 554 S HA -0.234 4.236 4.470 -0.000 0.000 0.225 554 S C 1.921 176.567 174.600 0.078 0.000 1.039 554 S CA 2.018 60.230 58.200 0.020 0.000 1.033 554 S CB -0.341 62.853 63.200 -0.010 0.000 0.887 554 S HN 0.352 nan 8.310 nan 0.000 0.447 555 L N 1.331 122.629 121.223 0.124 0.000 2.056 555 L HA 0.135 4.475 4.340 -0.000 0.000 0.207 555 L C 2.228 179.314 176.870 0.360 0.000 1.078 555 L CA 1.449 56.452 54.840 0.272 0.000 0.749 555 L CB -0.708 41.505 42.059 0.255 0.000 0.901 555 L HN 0.408 nan 8.230 nan 0.000 0.433 556 I N -0.768 119.986 120.570 0.306 0.000 2.226 556 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 556 I C 2.046 178.287 176.117 0.207 0.000 1.100 556 I CA 1.177 62.616 61.300 0.230 0.000 1.374 556 I CB -0.422 37.640 38.000 0.104 0.000 1.057 556 I HN 0.286 nan 8.210 nan 0.000 0.413 557 D N 0.398 120.870 120.400 0.120 0.000 2.092 557 D HA -0.259 4.381 4.640 -0.000 0.000 0.193 557 D C 2.032 178.356 176.300 0.040 0.000 0.994 557 D CA 1.349 55.391 54.000 0.070 0.000 0.828 557 D CB -0.389 40.433 40.800 0.037 0.000 0.963 557 D HN 0.409 nan 8.370 nan 0.000 0.450 558 Q N -0.213 119.608 119.800 0.036 0.000 2.061 558 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 558 Q C 1.996 177.889 176.000 -0.179 0.000 0.984 558 Q CA 1.400 57.175 55.803 -0.047 0.000 0.846 558 Q CB 0.039 28.766 28.738 -0.017 0.000 0.902 558 Q HN 0.503 nan 8.270 nan 0.000 0.421 559 H N -1.676 117.253 119.070 -0.235 0.000 2.448 559 H HA 0.045 4.601 4.556 0.000 0.000 0.292 559 H C 0.476 175.380 175.328 -0.707 0.000 1.035 559 H CA 0.783 56.520 56.048 -0.519 0.000 1.349 559 H CB 0.332 29.656 29.762 -0.730 0.000 1.425 559 H HN 0.168 nan 8.280 nan 0.000 0.539 560 F N -1.320 118.628 119.950 -0.004 0.000 3.036 560 F HA 0.441 4.968 4.527 0.000 0.000 0.274 560 F C 2.025 177.793 175.800 -0.054 0.000 1.474 560 F CA -0.032 57.929 58.000 -0.064 0.000 0.987 560 F CB -0.198 38.711 39.000 -0.151 0.000 1.877 560 F HN 0.111 nan 8.300 nan 0.000 0.421 561 G N 0.127 109.032 108.800 0.174 0.000 2.779 561 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.230 561 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.230 561 G C 1.414 176.338 174.900 0.040 0.000 1.243 561 G CA 1.085 46.227 45.100 0.069 0.000 0.769 561 G HN 0.702 nan 8.290 nan 0.000 0.516 562 S N 1.236 116.954 115.700 0.031 0.000 2.447 562 S HA 0.495 4.965 4.470 -0.000 0.000 0.233 562 S C 1.483 176.097 174.600 0.024 0.000 1.006 562 S CA 1.566 59.774 58.200 0.013 0.000 0.957 562 S CB -0.401 62.794 63.200 -0.007 0.000 0.773 562 S HN 1.759 nan 8.310 nan 0.000 0.507 566 G N 2.567 111.364 108.800 -0.005 0.000 2.157 566 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.248 566 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.248 566 G C 0.069 174.964 174.900 -0.009 0.000 0.979 566 G CA 0.703 45.799 45.100 -0.006 0.000 0.650 566 G HN 1.988 nan 8.290 nan 0.000 0.529 567 S N -1.417 114.277 115.700 -0.011 0.000 2.569 567 S HA 0.624 5.094 4.470 -0.000 0.000 0.280 567 S C -0.367 174.221 174.600 -0.020 0.000 1.111 567 S CA -0.609 57.581 58.200 -0.016 0.000 0.887 567 S CB 1.912 65.102 63.200 -0.018 0.000 1.095 567 S HN 0.189 nan 8.310 nan 0.000 0.476 568 N N 0.762 119.450 118.700 -0.021 0.000 2.843 568 N HA 0.259 4.999 4.740 -0.000 0.000 0.284 568 N C 0.281 175.772 175.510 -0.032 0.000 1.274 568 N CA -0.088 52.948 53.050 -0.024 0.000 1.045 568 N CB -0.582 37.893 38.487 -0.020 0.000 1.370 568 N HN 0.495 nan 8.380 nan 0.000 0.525 569 L N -0.084 121.116 121.223 -0.039 0.000 2.269 569 L HA 0.229 4.569 4.340 -0.000 0.000 0.200 569 L C 2.314 179.144 176.870 -0.067 0.000 1.069 569 L CA 0.708 55.514 54.840 -0.057 0.000 0.804 569 L CB -1.182 40.835 42.059 -0.070 0.000 0.987 569 L HN 0.343 nan 8.230 nan 0.000 0.468 570 R N 0.645 121.109 120.500 -0.060 0.000 2.196 570 R HA -0.263 4.077 4.340 -0.000 0.000 0.259 570 R C 1.575 177.843 176.300 -0.055 0.000 1.154 570 R CA 2.346 58.410 56.100 -0.060 0.000 0.976 570 R CB -0.341 29.938 30.300 -0.036 0.000 0.888 570 R HN 0.379 nan 8.270 nan 0.000 0.453 571 D N -0.087 120.287 120.400 -0.043 0.000 2.084 571 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 571 D C 1.785 178.060 176.300 -0.042 0.000 0.985 571 D CA 1.385 55.364 54.000 -0.036 0.000 0.826 571 D CB -0.331 40.452 40.800 -0.028 0.000 0.978 571 D HN 0.509 nan 8.370 nan 0.000 0.456 572 E N 0.374 120.546 120.200 -0.047 0.000 2.204 572 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 572 E C 2.213 178.774 176.600 -0.064 0.000 0.990 572 E CA 0.374 56.744 56.400 -0.049 0.000 0.821 572 E CB -0.034 29.637 29.700 -0.048 0.000 0.750 572 E HN 0.206 nan 8.360 nan 0.000 0.477 573 L N 0.231 121.401 121.223 -0.089 0.000 1.993 573 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 573 L C 2.472 179.290 176.870 -0.088 0.000 1.074 573 L CA 1.092 55.856 54.840 -0.127 0.000 0.746 573 L CB -0.371 41.567 42.059 -0.202 0.000 0.896 573 L HN 0.133 nan 8.230 nan 0.000 0.435 574 V N 0.296 120.171 119.914 -0.065 0.000 2.324 574 V HA -0.358 3.762 4.120 -0.000 0.000 0.250 574 V C 2.520 178.607 176.094 -0.012 0.000 1.060 574 V CA 2.262 64.548 62.300 -0.024 0.000 1.042 574 V CB -0.700 31.112 31.823 -0.018 0.000 0.650 574 V HN 0.571 nan 8.190 nan 0.000 0.450 575 E N 0.245 120.431 120.200 -0.024 0.000 2.051 575 E HA -0.273 4.077 4.350 -0.000 0.000 0.192 575 E C 2.273 178.859 176.600 -0.022 0.000 0.991 575 E CA 1.616 58.004 56.400 -0.020 0.000 0.799 575 E CB -0.067 29.618 29.700 -0.025 0.000 0.748 575 E HN 0.577 nan 8.360 nan 0.000 0.449 576 K N -0.103 120.278 120.400 -0.032 0.000 2.217 576 K HA -0.044 4.276 4.320 -0.000 0.000 0.202 576 K C 2.085 178.668 176.600 -0.028 0.000 1.051 576 K CA 0.715 56.980 56.287 -0.037 0.000 0.952 576 K CB 0.226 32.701 32.500 -0.042 0.000 0.736 576 K HN 0.017 nan 8.250 nan 0.000 0.453 577 V N 1.887 121.802 119.914 0.003 0.000 2.270 577 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 577 V C 1.823 177.948 176.094 0.052 0.000 1.043 577 V CA 1.629 63.972 62.300 0.072 0.000 1.014 577 V CB -0.426 31.500 31.823 0.172 0.000 0.645 577 V HN 0.359 nan 8.190 nan 0.000 0.447 578 N N 0.169 118.900 118.700 0.052 0.000 2.205 578 N HA -0.210 4.530 4.740 -0.000 0.000 0.186 578 N C 1.863 177.369 175.510 -0.007 0.000 1.015 578 N CA 1.527 54.603 53.050 0.043 0.000 0.862 578 N CB -0.259 38.253 38.487 0.041 0.000 0.986 578 N HN 0.519 nan 8.380 nan 0.000 0.429 579 K N 0.277 120.657 120.400 -0.033 0.000 2.155 579 K HA -0.009 4.311 4.320 -0.000 0.000 0.203 579 K C 1.651 178.176 176.600 -0.124 0.000 1.052 579 K CA 1.106 57.356 56.287 -0.062 0.000 0.948 579 K CB 0.098 32.565 32.500 -0.055 0.000 0.728 579 K HN -0.001 nan 8.250 nan 0.000 0.448 580 T N 1.515 115.968 114.554 -0.167 0.000 2.809 580 T HA -0.014 4.336 4.350 -0.000 0.000 0.260 580 T C 1.742 176.241 174.700 -0.335 0.000 1.039 580 T CA 0.919 62.810 62.100 -0.348 0.000 1.141 580 T CB -0.079 68.550 68.868 -0.399 0.000 0.869 580 T HN 0.112 nan 8.240 nan 0.000 0.437 581 L N 0.958 122.065 121.223 -0.193 0.000 1.990 581 L HA -0.186 4.154 4.340 -0.000 0.000 0.213 581 L C 3.071 179.855 176.870 -0.142 0.000 1.072 581 L CA 1.563 56.303 54.840 -0.168 0.000 0.755 581 L CB -0.778 41.249 42.059 -0.053 0.000 0.889 581 L HN 0.246 nan 8.230 nan 0.000 0.432 582 A N -0.111 122.659 122.820 -0.082 0.000 1.873 582 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 582 A C 2.385 179.906 177.584 -0.105 0.000 1.193 582 A CA 2.276 54.274 52.037 -0.064 0.000 0.629 582 A CB -0.647 18.333 19.000 -0.033 0.000 0.826 582 A HN 0.360 nan 8.150 nan 0.000 0.447 583 K N -0.926 119.395 120.400 -0.132 0.000 2.015 583 K HA -0.291 4.029 4.320 -0.000 0.000 0.216 583 K C 2.350 178.872 176.600 -0.131 0.000 1.052 583 K CA 2.183 58.390 56.287 -0.132 0.000 0.937 583 K CB -0.214 32.177 32.500 -0.183 0.000 0.719 583 K HN 0.307 nan 8.250 nan 0.000 0.446 584 R N 1.007 121.400 120.500 -0.180 0.000 2.075 584 R HA -0.011 4.329 4.340 -0.000 0.000 0.232 584 R C 2.274 178.454 176.300 -0.200 0.000 1.126 584 R CA 1.302 57.325 56.100 -0.129 0.000 0.963 584 R CB -0.646 29.607 30.300 -0.079 0.000 0.858 584 R HN 0.304 nan 8.270 nan 0.000 0.435 585 L N 0.416 121.494 121.223 -0.243 0.000 2.127 585 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 585 L C 2.423 179.150 176.870 -0.239 0.000 1.089 585 L CA 1.855 56.509 54.840 -0.310 0.000 0.757 585 L CB -0.472 41.413 42.059 -0.291 0.000 0.899 585 L HN 0.421 nan 8.230 nan 0.000 0.434 586 E N 0.571 120.676 120.200 -0.158 0.000 2.208 586 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 586 E C 1.590 178.123 176.600 -0.112 0.000 0.988 586 E CA 0.761 57.090 56.400 -0.117 0.000 0.828 586 E CB 0.223 29.877 29.700 -0.077 0.000 0.763 586 E HN 0.639 nan 8.360 nan 0.000 0.478 587 Q N -0.950 118.777 119.800 -0.122 0.000 2.201 587 Q HA 0.134 4.474 4.340 -0.000 0.000 0.236 587 Q C 0.544 176.459 176.000 -0.142 0.000 0.857 587 Q CA 0.088 55.834 55.803 -0.094 0.000 1.025 587 Q CB 0.858 29.562 28.738 -0.056 0.000 1.124 587 Q HN -0.090 nan 8.270 nan 0.000 0.473 588 T N 0.880 115.289 114.554 -0.241 0.000 3.262 588 T HA 0.038 4.388 4.350 -0.000 0.000 0.300 588 T C 0.542 175.061 174.700 -0.303 0.000 0.959 588 T CA 0.036 61.863 62.100 -0.454 0.000 0.936 588 T CB 0.018 68.422 68.868 -0.774 0.000 1.169 588 T HN 0.543 nan 8.240 nan 0.000 0.532 589 N N 1.201 119.801 118.700 -0.166 0.000 2.626 589 N HA -0.029 4.711 4.740 -0.000 0.000 0.193 589 N C 1.249 176.746 175.510 -0.022 0.000 1.213 589 N CA 0.734 53.712 53.050 -0.120 0.000 0.914 589 N CB -0.157 38.264 38.487 -0.110 0.000 0.994 589 N HN 0.451 nan 8.380 nan 0.000 0.447 590 S N -2.121 113.634 115.700 0.090 0.000 2.523 590 S HA 0.164 4.633 4.470 -0.000 0.000 0.217 590 S C 0.189 174.880 174.600 0.152 0.000 0.996 590 S CA -0.697 57.568 58.200 0.109 0.000 0.921 590 S CB -0.262 63.000 63.200 0.103 0.000 0.829 590 S HN 0.074 nan 8.310 nan 0.000 0.495 591 Y N 3.205 123.449 120.300 -0.093 0.000 2.330 591 Y HA 0.286 4.836 4.550 -0.000 0.000 0.341 591 Y C 1.527 177.376 175.900 -0.084 0.000 1.278 591 Y CA -1.166 56.882 58.100 -0.086 0.000 1.453 591 Y CB 0.146 38.537 38.460 -0.115 0.000 1.342 591 Y HN 0.021 nan 8.280 nan 0.000 0.590 592 D N -0.073 120.366 120.400 0.065 0.000 2.088 592 D HA -0.126 4.514 4.640 -0.000 0.000 0.196 592 D C 1.438 177.764 176.300 0.044 0.000 0.983 592 D CA 2.380 56.399 54.000 0.031 0.000 0.846 592 D CB 0.135 40.950 40.800 0.026 0.000 0.992 592 D HN 0.516 nan 8.370 nan 0.000 0.448 593 L N -2.109 119.164 121.223 0.083 0.000 1.261 593 L HA -0.020 4.320 4.340 -0.000 0.000 0.053 593 L C 1.342 178.347 176.870 0.224 0.000 1.547 593 L CA 0.336 55.249 54.840 0.121 0.000 1.104 593 L CB -0.697 41.445 42.059 0.138 0.000 2.208 593 L HN -0.064 nan 8.230 nan 0.000 0.434 594 V N 2.048 122.094 119.914 0.219 0.000 2.287 594 V HA -0.115 4.005 4.120 -0.000 0.000 0.248 594 V C -0.827 175.470 176.094 0.338 0.000 1.053 594 V CA 2.858 65.332 62.300 0.289 0.000 1.027 594 V CB -0.857 31.101 31.823 0.224 0.000 0.646 594 V HN 0.489 nan 8.190 nan 0.000 0.447 595 P HA -0.084 nan 4.420 nan 0.000 0.222 595 P C 1.675 179.127 177.300 0.253 0.000 1.153 595 P CA 1.157 64.399 63.100 0.236 0.000 0.798 595 P CB -0.131 31.661 31.700 0.153 0.000 0.796 596 R N -0.704 119.887 120.500 0.152 0.000 2.070 596 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 596 R C 1.982 178.125 176.300 -0.262 0.000 1.138 596 R CA 1.934 57.955 56.100 -0.133 0.000 0.936 596 R CB -0.921 29.157 30.300 -0.370 0.000 0.839 596 R HN 0.148 nan 8.270 nan 0.000 0.429 597 W N -0.039 121.264 121.300 0.005 0.000 2.363 597 W HA -0.153 4.507 4.660 0.000 0.000 0.296 597 W C 2.427 178.980 176.519 0.057 0.000 1.212 597 W CA 0.822 58.163 57.345 -0.007 0.000 1.260 597 W CB -0.329 29.122 29.460 -0.015 0.000 1.131 597 W HN 0.305 nan 8.180 nan 0.000 0.530 598 H N -0.382 118.877 119.070 0.317 0.000 2.456 598 H HA -0.164 4.392 4.556 -0.000 0.000 0.296 598 H C 1.879 177.317 175.328 0.183 0.000 1.079 598 H CA 1.874 58.066 56.048 0.241 0.000 1.322 598 H CB -0.547 29.315 29.762 0.167 0.000 1.388 598 H HN 0.355 nan 8.280 nan 0.000 0.538 599 D N 0.590 121.114 120.400 0.208 0.000 2.103 599 D HA -0.082 4.558 4.640 -0.000 0.000 0.199 599 D C 2.212 178.545 176.300 0.056 0.000 0.978 599 D CA 0.967 55.030 54.000 0.106 0.000 0.829 599 D CB 0.191 41.002 40.800 0.019 0.000 0.981 599 D HN 0.240 nan 8.370 nan 0.000 0.464 600 A N 0.367 123.147 122.820 -0.066 0.000 1.883 600 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 600 A C 2.167 179.693 177.584 -0.097 0.000 1.186 600 A CA 1.157 53.096 52.037 -0.164 0.000 0.624 600 A CB -1.300 17.459 19.000 -0.400 0.000 0.822 600 A HN 0.344 nan 8.150 nan 0.000 0.444 601 F N -0.237 119.797 119.950 0.140 0.000 2.502 601 F HA -0.067 4.460 4.527 0.000 0.000 0.298 601 F C 2.827 178.714 175.800 0.145 0.000 1.111 601 F CA 1.017 59.069 58.000 0.088 0.000 1.445 601 F CB -0.007 38.939 39.000 -0.090 0.000 1.081 601 F HN 0.285 nan 8.300 nan 0.000 0.558 602 S N 0.082 115.961 115.700 0.299 0.000 2.368 602 S HA -0.228 4.242 4.470 -0.000 0.000 0.224 602 S C 2.091 176.864 174.600 0.289 0.000 1.029 602 S CA 1.150 59.503 58.200 0.255 0.000 0.988 602 S CB -0.586 62.723 63.200 0.182 0.000 0.838 602 S HN 0.468 nan 8.310 nan 0.000 0.462 603 F N 1.714 121.720 119.950 0.094 0.000 2.102 603 F HA -0.063 4.464 4.527 -0.000 0.000 0.298 603 F C 2.511 178.381 175.800 0.116 0.000 1.105 603 F CA 0.818 58.859 58.000 0.068 0.000 1.239 603 F CB -0.404 38.598 39.000 0.003 0.000 0.991 603 F HN 0.357 nan 8.300 nan 0.000 0.474 604 A N 0.300 123.340 122.820 0.366 0.000 1.978 604 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 604 A C 2.223 180.087 177.584 0.467 0.000 1.170 604 A CA 1.659 53.908 52.037 0.353 0.000 0.636 604 A CB -1.292 17.977 19.000 0.448 0.000 0.810 604 A HN 0.487 nan 8.150 nan 0.000 0.448 605 A N -0.621 122.498 122.820 0.498 0.000 2.019 605 A HA 0.154 4.474 4.320 -0.000 0.000 0.219 605 A C 2.311 180.066 177.584 0.284 0.000 1.164 605 A CA 1.712 54.020 52.037 0.451 0.000 0.644 605 A CB -1.152 18.084 19.000 0.394 0.000 0.805 605 A HN 0.728 nan 8.150 nan 0.000 0.449 606 G N -1.347 107.622 108.800 0.282 0.000 2.443 606 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.219 606 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.219 606 G C 1.453 176.460 174.900 0.179 0.000 1.131 606 G CA 1.515 46.745 45.100 0.216 0.000 0.775 606 G HN 0.438 nan 8.290 nan 0.000 0.547 607 T N 0.643 115.309 114.554 0.186 0.000 2.942 607 T HA -0.061 4.289 4.350 -0.000 0.000 0.265 607 T C 2.656 177.361 174.700 0.009 0.000 1.062 607 T CA 1.236 63.390 62.100 0.090 0.000 1.139 607 T CB -0.095 68.810 68.868 0.062 0.000 0.883 607 T HN 0.285 nan 8.240 nan 0.000 0.468 608 V N 0.260 120.167 119.914 -0.012 0.000 2.548 608 V HA -0.033 4.087 4.120 -0.000 0.000 0.249 608 V C 2.273 178.307 176.094 -0.099 0.000 1.055 608 V CA 1.077 63.273 62.300 -0.174 0.000 1.065 608 V CB -1.109 30.498 31.823 -0.359 0.000 0.681 608 V HN 0.298 nan 8.190 nan 0.000 0.462 609 V N 0.978 120.893 119.914 0.001 0.000 2.594 609 V HA -0.223 3.897 4.120 -0.000 0.000 0.253 609 V C 2.603 178.699 176.094 0.003 0.000 1.069 609 V CA 2.504 64.817 62.300 0.020 0.000 1.082 609 V CB -0.582 31.278 31.823 0.061 0.000 0.680 609 V HN 0.807 nan 8.190 nan 0.000 0.469 610 E N 0.539 120.739 120.200 0.001 0.000 2.030 610 E HA -0.134 4.216 4.350 -0.000 0.000 0.189 610 E C 2.183 178.765 176.600 -0.030 0.000 0.974 610 E CA 1.448 57.846 56.400 -0.003 0.000 0.807 610 E CB -0.002 29.706 29.700 0.013 0.000 0.771 610 E HN 0.421 nan 8.360 nan 0.000 0.451 611 V N -0.290 119.592 119.914 -0.055 0.000 2.594 611 V HA -0.113 4.007 4.120 -0.000 0.000 0.253 611 V C 1.764 177.802 176.094 -0.094 0.000 1.069 611 V CA 1.102 63.357 62.300 -0.076 0.000 1.082 611 V CB -0.346 31.416 31.823 -0.102 0.000 0.680 611 V HN 0.174 nan 8.190 nan 0.000 0.469 612 L N 0.906 122.061 121.223 -0.115 0.000 2.741 612 L HA 0.355 4.695 4.340 -0.000 0.000 0.237 612 L C 2.378 179.216 176.870 -0.053 0.000 1.178 612 L CA 1.189 55.962 54.840 -0.110 0.000 0.973 612 L CB -0.332 41.617 42.059 -0.184 0.000 1.255 612 L HN 0.432 nan 8.230 nan 0.000 0.498 613 S N 0.212 115.890 115.700 -0.036 0.000 2.378 613 S HA -0.287 4.183 4.470 -0.000 0.000 0.229 613 S C 2.260 176.855 174.600 -0.007 0.000 1.052 613 S CA 2.370 60.562 58.200 -0.014 0.000 1.084 613 S CB -0.111 63.083 63.200 -0.010 0.000 0.950 613 S HN 0.658 nan 8.310 nan 0.000 0.440 614 S N -0.196 115.497 115.700 -0.012 0.000 2.481 614 S HA 0.074 4.544 4.470 -0.000 0.000 0.231 614 S C 1.029 175.627 174.600 -0.002 0.000 0.996 614 S CA 0.607 58.803 58.200 -0.006 0.000 0.942 614 S CB -0.933 62.261 63.200 -0.009 0.000 0.768 614 S HN 0.504 nan 8.310 nan 0.000 0.520 615 T N 2.861 117.412 114.554 -0.005 0.000 2.734 615 T HA 0.227 4.577 4.350 -0.000 0.000 0.314 615 T C 1.171 175.884 174.700 0.020 0.000 1.057 615 T CA 0.638 62.742 62.100 0.007 0.000 1.047 615 T CB 0.775 69.645 68.868 0.003 0.000 0.991 615 T HN 0.558 nan 8.240 nan 0.000 0.540 616 S N 0.432 116.151 115.700 0.031 0.000 2.602 616 S HA 0.295 4.765 4.470 -0.000 0.000 0.240 616 S C 0.379 175.008 174.600 0.049 0.000 0.992 616 S CA -0.513 57.707 58.200 0.034 0.000 0.971 616 S CB -0.429 62.787 63.200 0.026 0.000 0.855 616 S HN 0.468 nan 8.310 nan 0.000 0.481 617 L N 3.249 124.514 121.223 0.070 0.000 2.483 617 L HA 0.272 4.612 4.340 -0.000 0.000 0.276 617 L C 0.987 177.910 176.870 0.089 0.000 1.213 617 L CA -0.234 54.666 54.840 0.099 0.000 0.843 617 L CB 0.615 42.776 42.059 0.170 0.000 1.107 617 L HN 0.446 nan 8.230 nan 0.000 0.487 618 S N 2.371 118.123 115.700 0.088 0.000 2.672 618 S HA 0.372 4.842 4.470 -0.000 0.000 0.276 618 S C 1.090 175.751 174.600 0.101 0.000 1.207 618 S CA -0.943 57.305 58.200 0.079 0.000 1.002 618 S CB 1.112 64.350 63.200 0.063 0.000 0.998 618 S HN 0.559 nan 8.310 nan 0.000 0.542 619 L N 0.867 122.144 121.223 0.090 0.000 2.083 619 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 619 L C 3.002 179.941 176.870 0.116 0.000 1.083 619 L CA 1.615 56.518 54.840 0.105 0.000 0.752 619 L CB -1.302 40.808 42.059 0.085 0.000 0.899 619 L HN 0.942 nan 8.230 nan 0.000 0.433 620 A N 0.164 123.040 122.820 0.094 0.000 2.019 620 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 620 A C 2.529 180.179 177.584 0.110 0.000 1.164 620 A CA 1.634 53.726 52.037 0.091 0.000 0.644 620 A CB -0.411 18.630 19.000 0.068 0.000 0.805 620 A HN 0.421 nan 8.150 nan 0.000 0.449 621 A N -0.556 122.336 122.820 0.120 0.000 1.854 621 A HA 0.063 4.383 4.320 -0.000 0.000 0.214 621 A C 2.178 179.879 177.584 0.195 0.000 1.192 621 A CA 1.565 53.678 52.037 0.128 0.000 0.611 621 A CB -0.919 18.146 19.000 0.108 0.000 0.832 621 A HN 0.379 nan 8.150 nan 0.000 0.442 622 V N 1.073 121.150 119.914 0.273 0.000 2.407 622 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 622 V C 2.414 178.736 176.094 0.380 0.000 1.055 622 V CA 2.371 64.922 62.300 0.418 0.000 1.049 622 V CB -1.193 30.839 31.823 0.349 0.000 0.662 622 V HN 0.765 nan 8.190 nan 0.000 0.455 623 N N 0.581 119.427 118.700 0.243 0.000 2.188 623 N HA -0.119 4.621 4.740 -0.000 0.000 0.184 623 N C 1.739 177.331 175.510 0.137 0.000 1.018 623 N CA 1.467 54.629 53.050 0.185 0.000 0.858 623 N CB -0.294 38.275 38.487 0.137 0.000 0.989 623 N HN 0.401 nan 8.380 nan 0.000 0.426 624 A N -0.483 122.419 122.820 0.136 0.000 1.902 624 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 624 A C 2.080 179.651 177.584 -0.021 0.000 1.181 624 A CA 1.497 53.594 52.037 0.101 0.000 0.623 624 A CB -1.378 17.718 19.000 0.161 0.000 0.818 624 A HN 0.695 nan 8.150 nan 0.000 0.443 625 W N 1.127 122.260 121.300 -0.278 0.000 2.378 625 W HA -0.155 4.505 4.660 -0.000 0.000 0.313 625 W C 2.172 178.489 176.519 -0.337 0.000 1.197 625 W CA 2.109 59.078 57.345 -0.627 0.000 1.304 625 W CB -0.196 29.027 29.460 -0.394 0.000 1.148 625 W HN 0.231 nan 8.180 nan 0.000 0.494 626 K N 0.610 120.850 120.400 -0.266 0.000 2.015 626 K HA -0.254 4.066 4.320 -0.000 0.000 0.220 626 K C 1.801 178.137 176.600 -0.439 0.000 1.055 626 K CA 2.772 58.801 56.287 -0.430 0.000 0.951 626 K CB -1.116 31.416 32.500 0.053 0.000 0.725 626 K HN 0.191 nan 8.250 nan 0.000 0.449 627 V N 1.587 121.406 119.914 -0.159 0.000 2.278 627 V HA -0.311 3.809 4.120 -0.000 0.000 0.251 627 V C 2.676 178.640 176.094 -0.217 0.000 1.062 627 V CA 2.306 64.567 62.300 -0.066 0.000 1.038 627 V CB -0.957 30.894 31.823 0.047 0.000 0.646 627 V HN 0.582 nan 8.190 nan 0.000 0.447 628 A N -0.492 122.147 122.820 -0.302 0.000 1.933 628 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 628 A C 2.389 179.698 177.584 -0.458 0.000 1.175 628 A CA 2.039 53.900 52.037 -0.293 0.000 0.628 628 A CB -0.661 18.193 19.000 -0.242 0.000 0.814 628 A HN 0.593 nan 8.150 nan 0.000 0.444 629 A N -0.114 122.187 122.820 -0.867 0.000 1.873 629 A HA 0.231 4.551 4.320 -0.000 0.000 0.215 629 A C 2.522 179.594 177.584 -0.852 0.000 1.186 629 A CA 1.932 53.276 52.037 -1.155 0.000 0.616 629 A CB -1.083 16.476 19.000 -2.402 0.000 0.823 629 A HN 0.981 nan 8.150 nan 0.000 0.442 630 A N 0.106 122.480 122.820 -0.744 0.000 1.851 630 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 630 A C 1.878 179.296 177.584 -0.276 0.000 1.195 630 A CA 1.742 53.595 52.037 -0.307 0.000 0.622 630 A CB -0.787 17.888 19.000 -0.542 0.000 0.831 630 A HN 0.611 nan 8.150 nan 0.000 0.444 631 E N -0.412 119.643 120.200 -0.242 0.000 2.209 631 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 631 E C 2.191 178.727 176.600 -0.108 0.000 0.993 631 E CA 1.074 57.409 56.400 -0.108 0.000 0.819 631 E CB -0.165 29.512 29.700 -0.038 0.000 0.745 631 E HN 0.610 nan 8.360 nan 0.000 0.477 632 S N 0.357 115.970 115.700 -0.146 0.000 2.345 632 S HA -0.121 4.349 4.470 -0.000 0.000 0.220 632 S C 2.110 176.656 174.600 -0.091 0.000 1.031 632 S CA 1.067 59.219 58.200 -0.080 0.000 0.996 632 S CB -0.098 63.065 63.200 -0.062 0.000 0.882 632 S HN 0.333 nan 8.310 nan 0.000 0.445 633 A N 2.727 125.407 122.820 -0.232 0.000 1.865 633 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 633 A C 2.236 179.499 177.584 -0.534 0.000 1.191 633 A CA 1.747 53.352 52.037 -0.721 0.000 0.623 633 A CB -1.209 16.723 19.000 -1.780 0.000 0.826 633 A HN 0.843 nan 8.150 nan 0.000 0.444 634 I N -2.601 117.728 120.570 -0.400 0.000 2.194 634 I HA -0.211 3.959 4.170 -0.000 0.000 0.246 634 I C 2.341 178.441 176.117 -0.028 0.000 1.093 634 I CA 2.248 63.478 61.300 -0.117 0.000 1.355 634 I CB -0.688 37.329 38.000 0.027 0.000 1.046 634 I HN 0.279 nan 8.210 nan 0.000 0.413 635 S N 1.168 116.851 115.700 -0.029 0.000 2.368 635 S HA -0.114 4.356 4.470 -0.000 0.000 0.224 635 S C 2.098 176.727 174.600 0.048 0.000 1.029 635 S CA 1.275 59.487 58.200 0.019 0.000 0.988 635 S CB -0.476 62.730 63.200 0.011 0.000 0.838 635 S HN 0.575 nan 8.310 nan 0.000 0.462 636 L N 0.843 122.092 121.223 0.042 0.000 2.017 636 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 636 L C 2.852 179.856 176.870 0.223 0.000 1.073 636 L CA 2.036 56.932 54.840 0.093 0.000 0.745 636 L CB -0.761 41.302 42.059 0.006 0.000 0.894 636 L HN 0.485 nan 8.230 nan 0.000 0.432 637 T N -1.263 113.459 114.554 0.280 0.000 2.833 637 T HA -0.211 4.139 4.350 -0.000 0.000 0.269 637 T C 1.965 176.748 174.700 0.138 0.000 1.054 637 T CA 1.152 63.373 62.100 0.203 0.000 1.135 637 T CB -0.161 68.662 68.868 -0.076 0.000 0.869 637 T HN 0.347 nan 8.240 nan 0.000 0.466 638 R N 0.014 120.582 120.500 0.114 0.000 2.092 638 R HA -0.057 4.283 4.340 -0.000 0.000 0.231 638 R C 2.678 179.064 176.300 0.145 0.000 1.119 638 R CA 1.628 57.800 56.100 0.120 0.000 0.970 638 R CB -0.346 30.018 30.300 0.107 0.000 0.864 638 R HN 0.464 nan 8.270 nan 0.000 0.440 639 Q N 0.668 120.549 119.800 0.135 0.000 1.993 639 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 639 Q C 2.048 178.142 176.000 0.158 0.000 0.984 639 Q CA 1.685 57.568 55.803 0.132 0.000 0.837 639 Q CB -0.137 28.664 28.738 0.105 0.000 0.902 639 Q HN 0.079 nan 8.270 nan 0.000 0.423 640 V N 0.781 120.802 119.914 0.178 0.000 2.392 640 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 640 V C 2.339 178.557 176.094 0.206 0.000 1.059 640 V CA 2.226 64.641 62.300 0.192 0.000 1.051 640 V CB -0.557 31.408 31.823 0.238 0.000 0.658 640 V HN 0.341 nan 8.190 nan 0.000 0.455 641 R N -0.276 120.355 120.500 0.217 0.000 2.081 641 R HA -0.195 4.145 4.340 -0.000 0.000 0.235 641 R C 2.393 178.950 176.300 0.428 0.000 1.131 641 R CA 1.621 57.903 56.100 0.303 0.000 0.960 641 R CB -0.300 30.172 30.300 0.287 0.000 0.856 641 R HN 0.411 nan 8.270 nan 0.000 0.436 642 E N -0.036 120.357 120.200 0.323 0.000 2.110 642 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 642 E C 1.662 178.407 176.600 0.242 0.000 0.988 642 E CA 1.592 58.174 56.400 0.303 0.000 0.804 642 E CB -0.073 29.754 29.700 0.212 0.000 0.745 642 E HN 0.188 nan 8.360 nan 0.000 0.458 643 T N 0.035 114.706 114.554 0.194 0.000 2.821 643 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 643 T C 1.494 176.256 174.700 0.105 0.000 1.046 643 T CA 1.152 63.334 62.100 0.137 0.000 1.139 643 T CB -0.452 68.492 68.868 0.126 0.000 0.871 643 T HN 0.266 nan 8.240 nan 0.000 0.454 644 F N 0.441 120.377 119.950 -0.024 0.000 2.113 644 F HA -0.019 4.508 4.527 0.000 0.000 0.297 644 F C 1.468 177.126 175.800 -0.235 0.000 1.103 644 F CA 0.934 58.822 58.000 -0.186 0.000 1.248 644 F CB -0.462 38.320 39.000 -0.363 0.000 0.999 644 F HN 0.180 nan 8.300 nan 0.000 0.475 645 W N 0.178 121.461 121.300 -0.028 0.000 2.961 645 W HA 0.035 4.695 4.660 -0.000 0.000 0.240 645 W C 2.342 178.800 176.519 -0.101 0.000 1.305 645 W CA 0.640 57.920 57.345 -0.108 0.000 1.465 645 W CB -0.333 29.185 29.460 0.097 0.000 1.135 645 W HN -0.066 nan 8.180 nan 0.000 0.688 646 S N -0.239 115.498 115.700 0.062 0.000 2.427 646 S HA 0.229 4.699 4.470 -0.000 0.000 0.224 646 S C 1.204 175.785 174.600 -0.032 0.000 1.047 646 S CA 0.128 58.357 58.200 0.048 0.000 0.953 646 S CB -0.367 62.873 63.200 0.066 0.000 0.824 646 S HN 0.044 nan 8.310 nan 0.000 0.502 647 A N 1.902 124.656 122.820 -0.110 0.000 2.450 647 A HA 0.689 5.009 4.320 -0.000 0.000 0.255 647 A C 0.480 177.960 177.584 -0.174 0.000 1.096 647 A CA -0.319 51.644 52.037 -0.124 0.000 0.778 647 A CB -0.065 18.862 19.000 -0.122 0.000 1.031 647 A HN 0.468 nan 8.150 nan 0.000 0.494 648 A N 2.499 125.263 122.820 -0.093 0.000 2.448 648 A HA 0.400 4.720 4.320 -0.000 0.000 0.239 648 A C 1.555 179.089 177.584 -0.083 0.000 1.080 648 A CA 0.379 52.372 52.037 -0.075 0.000 0.779 648 A CB -0.233 18.749 19.000 -0.029 0.000 1.026 648 A HN 1.199 nan 8.150 nan 0.000 0.499 649 S N 0.768 116.437 115.700 -0.052 0.000 2.380 649 S HA -0.191 4.279 4.470 -0.000 0.000 0.229 649 S C 1.758 176.400 174.600 0.070 0.000 1.043 649 S CA 2.240 60.448 58.200 0.012 0.000 1.038 649 S CB -0.611 62.603 63.200 0.024 0.000 0.872 649 S HN 0.866 nan 8.310 nan 0.000 0.456 650 T N 1.157 115.736 114.554 0.041 0.000 3.025 650 T HA 0.024 4.374 4.350 -0.000 0.000 0.270 650 T C 1.128 175.844 174.700 0.026 0.000 1.126 650 T CA 0.995 63.123 62.100 0.047 0.000 1.105 650 T CB -0.152 68.733 68.868 0.029 0.000 0.884 650 T HN 0.299 nan 8.240 nan 0.000 0.522 651 S N 0.738 116.441 115.700 0.005 0.000 2.741 651 S HA 0.279 4.748 4.470 -0.000 0.000 0.247 651 S C 0.426 175.020 174.600 -0.010 0.000 1.050 651 S CA -0.509 57.686 58.200 -0.009 0.000 1.025 651 S CB 0.499 63.688 63.200 -0.019 0.000 0.897 651 S HN 0.370 nan 8.310 nan 0.000 0.508 652 S N 2.683 118.393 115.700 0.018 0.000 2.549 652 S HA 0.200 4.670 4.470 -0.000 0.000 0.283 652 S C -1.700 172.949 174.600 0.082 0.000 1.320 652 S CA -1.166 57.079 58.200 0.076 0.000 1.058 652 S CB 0.738 64.063 63.200 0.209 0.000 0.882 652 S HN 0.057 nan 8.310 nan 0.000 0.498 653 P HA -0.021 nan 4.420 nan 0.000 0.221 653 P C 1.189 178.563 177.300 0.124 0.000 1.145 653 P CA 1.202 64.389 63.100 0.145 0.000 0.795 653 P CB -0.034 31.818 31.700 0.254 0.000 0.775 654 A N -0.326 122.553 122.820 0.097 0.000 1.978 654 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 654 A C 1.970 179.466 177.584 -0.146 0.000 1.170 654 A CA 1.247 53.298 52.037 0.022 0.000 0.636 654 A CB -1.610 17.267 19.000 -0.205 0.000 0.810 654 A HN 0.177 nan 8.150 nan 0.000 0.448 655 L N 0.282 121.373 121.223 -0.220 0.000 2.633 655 L HA -0.073 4.267 4.340 -0.000 0.000 0.235 655 L C 2.479 179.230 176.870 -0.199 0.000 1.163 655 L CA 1.042 55.756 54.840 -0.209 0.000 0.859 655 L CB -0.189 41.785 42.059 -0.141 0.000 0.973 655 L HN 0.594 nan 8.230 nan 0.000 0.451 656 S N -1.575 113.952 115.700 -0.288 0.000 2.502 656 S HA 0.005 4.475 4.470 -0.000 0.000 0.215 656 S C 1.481 175.690 174.600 -0.652 0.000 1.009 656 S CA -0.060 57.855 58.200 -0.476 0.000 0.908 656 S CB 0.057 62.878 63.200 -0.633 0.000 0.801 656 S HN 0.419 nan 8.310 nan 0.000 0.505 657 Y N 0.376 120.465 120.300 -0.353 0.000 2.483 657 Y HA 0.534 5.084 4.550 -0.000 0.000 0.258 657 Y C 0.473 176.052 175.900 -0.535 0.000 1.083 657 Y CA -0.896 56.810 58.100 -0.656 0.000 1.283 657 Y CB 0.026 37.565 38.460 -1.535 0.000 1.178 657 Y HN 0.184 nan 8.280 nan 0.000 0.515 658 L N 0.858 122.010 121.223 -0.118 0.000 2.416 658 L HA 0.147 4.487 4.340 -0.000 0.000 0.272 658 L C 0.683 177.570 176.870 0.029 0.000 1.161 658 L CA 0.084 54.968 54.840 0.073 0.000 0.845 658 L CB 0.460 42.544 42.059 0.043 0.000 1.119 658 L HN -0.013 nan 8.230 nan 0.000 0.464 659 S N 5.691 121.439 115.700 0.080 0.000 2.559 659 S HA 0.027 4.497 4.470 -0.000 0.000 0.282 659 S C -1.532 173.083 174.600 0.025 0.000 1.336 659 S CA -0.570 57.662 58.200 0.053 0.000 1.037 659 S CB 0.323 63.562 63.200 0.066 0.000 0.853 659 S HN 0.559 nan 8.310 nan 0.000 0.523 660 P HA -0.057 nan 4.420 nan 0.000 0.218 660 P C 1.220 178.528 177.300 0.014 0.000 1.148 660 P CA 1.107 64.210 63.100 0.004 0.000 0.822 660 P CB 0.200 31.897 31.700 -0.004 0.000 0.784 661 R N -1.218 119.292 120.500 0.016 0.000 2.090 661 R HA 0.020 4.360 4.340 -0.000 0.000 0.219 661 R C 2.176 178.493 176.300 0.029 0.000 1.100 661 R CA 1.843 57.952 56.100 0.015 0.000 0.991 661 R CB -1.201 29.100 30.300 0.002 0.000 0.893 661 R HN 0.272 nan 8.270 nan 0.000 0.443 662 T N -1.284 113.293 114.554 0.038 0.000 3.072 662 T HA -0.125 4.224 4.350 -0.000 0.000 0.266 662 T C 1.777 176.536 174.700 0.098 0.000 1.127 662 T CA 0.722 62.856 62.100 0.057 0.000 1.107 662 T CB 0.074 68.976 68.868 0.057 0.000 0.910 662 T HN 0.188 nan 8.240 nan 0.000 0.513 663 Q N 0.457 120.305 119.800 0.080 0.000 2.230 663 Q HA 0.059 4.399 4.340 -0.000 0.000 0.202 663 Q C 2.095 178.182 176.000 0.145 0.000 0.963 663 Q CA 0.872 56.730 55.803 0.091 0.000 0.866 663 Q CB -0.324 28.431 28.738 0.028 0.000 0.931 663 Q HN 0.653 nan 8.270 nan 0.000 0.452 664 I N 0.264 120.899 120.570 0.108 0.000 2.315 664 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 664 I C 2.066 178.279 176.117 0.160 0.000 1.117 664 I CA 0.476 61.842 61.300 0.111 0.000 1.404 664 I CB -0.134 37.900 38.000 0.057 0.000 1.071 664 I HN 0.295 nan 8.210 nan 0.000 0.419 665 L N -0.118 121.198 121.223 0.155 0.000 2.131 665 L HA -0.180 4.160 4.340 -0.000 0.000 0.206 665 L C 2.365 179.378 176.870 0.238 0.000 1.087 665 L CA 1.619 56.571 54.840 0.186 0.000 0.767 665 L CB -0.884 41.245 42.059 0.117 0.000 0.917 665 L HN 0.186 nan 8.230 nan 0.000 0.441 666 Y N 0.309 120.669 120.300 0.100 0.000 2.070 666 Y HA -0.307 4.243 4.550 -0.000 0.000 0.280 666 Y C 2.465 178.418 175.900 0.088 0.000 1.148 666 Y CA 2.361 60.510 58.100 0.082 0.000 1.125 666 Y CB -0.530 37.972 38.460 0.070 0.000 0.975 666 Y HN 0.219 nan 8.280 nan 0.000 0.492 667 A N -0.084 122.936 122.820 0.333 0.000 1.940 667 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 667 A C 2.168 179.830 177.584 0.130 0.000 1.176 667 A CA 1.748 53.913 52.037 0.214 0.000 0.631 667 A CB -1.584 17.539 19.000 0.205 0.000 0.814 667 A HN 0.685 nan 8.150 nan 0.000 0.446 668 F N 0.772 120.746 119.950 0.039 0.000 2.069 668 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 668 F C 2.253 178.050 175.800 -0.005 0.000 1.113 668 F CA 2.124 60.135 58.000 0.018 0.000 1.214 668 F CB -0.542 38.471 39.000 0.020 0.000 0.978 668 F HN 0.031 nan 8.300 nan 0.000 0.474 669 V N 1.118 120.925 119.914 -0.178 0.000 2.307 669 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 669 V C 2.643 178.586 176.094 -0.251 0.000 1.045 669 V CA 1.942 64.078 62.300 -0.273 0.000 1.024 669 V CB -0.668 31.099 31.823 -0.094 0.000 0.651 669 V HN 0.246 nan 8.190 nan 0.000 0.449 670 R N -0.094 120.253 120.500 -0.255 0.000 2.092 670 R HA -0.077 4.263 4.340 -0.000 0.000 0.231 670 R C 2.138 178.362 176.300 -0.127 0.000 1.119 670 R CA 1.126 57.089 56.100 -0.228 0.000 0.970 670 R CB -0.250 29.828 30.300 -0.370 0.000 0.864 670 R HN 0.562 nan 8.270 nan 0.000 0.440 671 E N 0.334 120.471 120.200 -0.105 0.000 2.083 671 E HA -0.004 4.346 4.350 -0.000 0.000 0.193 671 E C 1.940 178.481 176.600 -0.099 0.000 0.950 671 E CA 0.566 56.928 56.400 -0.063 0.000 0.849 671 E CB -0.288 29.409 29.700 -0.005 0.000 0.827 671 E HN 0.325 nan 8.360 nan 0.000 0.465 672 E N 0.955 121.063 120.200 -0.154 0.000 2.106 672 E HA -0.043 4.307 4.350 -0.000 0.000 0.192 672 E C 2.165 178.611 176.600 -0.256 0.000 0.984 672 E CA 0.678 56.968 56.400 -0.184 0.000 0.806 672 E CB 0.029 29.626 29.700 -0.172 0.000 0.750 672 E HN 0.108 nan 8.360 nan 0.000 0.458 673 L N -0.972 120.019 121.223 -0.387 0.000 2.375 673 L HA 0.129 4.469 4.340 -0.000 0.000 0.215 673 L C 1.686 178.471 176.870 -0.141 0.000 1.108 673 L CA 0.577 55.248 54.840 -0.282 0.000 0.830 673 L CB -0.010 41.839 42.059 -0.350 0.000 0.959 673 L HN 0.366 nan 8.230 nan 0.000 0.457 674 G N 0.425 109.147 108.800 -0.131 0.000 2.179 674 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 674 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 674 G C 0.373 175.256 174.900 -0.029 0.000 0.977 674 G CA 0.309 45.371 45.100 -0.063 0.000 0.641 674 G HN 0.197 nan 8.290 nan 0.000 0.533 675 V N 2.010 121.906 119.914 -0.031 0.000 2.479 675 V HA 0.556 4.676 4.120 -0.000 0.000 0.281 675 V C 0.390 176.494 176.094 0.016 0.000 1.031 675 V CA -0.326 61.996 62.300 0.038 0.000 1.038 675 V CB 0.669 32.555 31.823 0.104 0.000 0.981 675 V HN 0.272 nan 8.190 nan 0.000 0.478 676 K N 5.477 125.917 120.400 0.068 0.000 2.211 676 K HA 0.705 5.025 4.320 -0.000 0.000 0.237 676 K C 0.175 176.865 176.600 0.151 0.000 1.002 676 K CA -0.177 56.157 56.287 0.080 0.000 0.885 676 K CB 1.621 34.187 32.500 0.111 0.000 1.136 676 K HN 0.825 nan 8.250 nan 0.000 0.448 677 A N 1.198 124.142 122.820 0.207 0.000 2.507 677 A HA 0.080 4.400 4.320 -0.000 0.000 0.235 677 A C 0.102 177.960 177.584 0.458 0.000 1.070 677 A CA 0.189 52.417 52.037 0.319 0.000 0.768 677 A CB 0.093 19.313 19.000 0.367 0.000 1.011 677 A HN 0.628 nan 8.150 nan 0.000 0.502 678 R N 0.965 121.679 120.500 0.357 0.000 2.343 678 R HA 0.311 4.651 4.340 -0.000 0.000 0.320 678 R C 0.760 177.026 176.300 -0.056 0.000 0.956 678 R CA -0.805 55.350 56.100 0.093 0.000 0.836 678 R CB 0.704 30.911 30.300 -0.155 0.000 1.151 678 R HN 0.858 nan 8.270 nan 0.000 0.450 679 R N 2.032 122.326 120.500 -0.344 0.000 2.062 679 R HA 0.100 4.440 4.340 -0.000 0.000 0.226 679 R C 0.194 176.292 176.300 -0.337 0.000 1.125 679 R CA 1.229 56.943 56.100 -0.643 0.000 0.966 679 R CB 0.144 29.896 30.300 -0.913 0.000 0.861 679 R HN 0.896 nan 8.270 nan 0.000 0.433 680 G N 0.802 109.478 108.800 -0.207 0.000 2.873 680 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.507 680 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.507 680 G C -0.574 174.308 174.900 -0.029 0.000 1.440 680 G CA -0.463 44.568 45.100 -0.115 0.000 1.016 680 G HN -0.045 nan 8.290 nan 0.000 0.615 681 D N 0.660 121.043 120.400 -0.029 0.000 2.103 681 D HA -0.146 4.494 4.640 -0.000 0.000 0.190 681 D C 2.833 179.132 176.300 -0.002 0.000 0.997 681 D CA 1.864 55.857 54.000 -0.012 0.000 0.833 681 D CB -0.029 40.769 40.800 -0.004 0.000 0.961 681 D HN 0.358 nan 8.370 nan 0.000 0.447 682 V N 0.725 120.644 119.914 0.008 0.000 2.282 682 V HA -0.263 3.857 4.120 -0.000 0.000 0.249 682 V C 2.182 178.289 176.094 0.022 0.000 1.057 682 V CA 1.642 63.948 62.300 0.009 0.000 1.032 682 V CB -0.622 31.207 31.823 0.010 0.000 0.645 682 V HN 0.127 nan 8.190 nan 0.000 0.447 683 F N 0.586 120.477 119.950 -0.097 0.000 2.051 683 F HA -0.180 4.347 4.527 0.000 0.000 0.296 683 F C 2.029 177.766 175.800 -0.105 0.000 1.122 683 F CA 1.821 59.758 58.000 -0.106 0.000 1.201 683 F CB -0.323 38.589 39.000 -0.146 0.000 0.978 683 F HN 0.024 nan 8.300 nan 0.000 0.472 684 L N 0.242 121.428 121.223 -0.062 0.000 2.456 684 L HA 0.042 4.382 4.340 -0.000 0.000 0.224 684 L C 1.713 178.487 176.870 -0.160 0.000 1.148 684 L CA 0.738 55.485 54.840 -0.155 0.000 0.825 684 L CB -1.478 40.555 42.059 -0.044 0.000 0.937 684 L HN 0.501 nan 8.230 nan 0.000 0.450 685 G N 1.268 109.992 108.800 -0.127 0.000 2.249 685 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.273 685 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.273 685 G C 0.080 174.941 174.900 -0.065 0.000 1.036 685 G CA 0.813 45.855 45.100 -0.097 0.000 0.824 685 G HN 0.465 nan 8.290 nan 0.000 0.504 686 K N -0.784 119.587 120.400 -0.049 0.000 2.551 686 K HA 0.451 4.771 4.320 -0.000 0.000 0.269 686 K C -0.743 175.845 176.600 -0.020 0.000 0.949 686 K CA -0.793 55.474 56.287 -0.032 0.000 0.849 686 K CB 1.081 33.561 32.500 -0.034 0.000 1.411 686 K HN 0.105 nan 8.250 nan 0.000 0.432 687 Q N 2.756 122.548 119.800 -0.012 0.000 2.569 687 Q HA 0.158 4.498 4.340 -0.000 0.000 0.226 687 Q C -0.721 175.279 176.000 0.000 0.000 1.136 687 Q CA -0.336 55.465 55.803 -0.004 0.000 0.947 687 Q CB 1.374 30.112 28.738 -0.000 0.000 1.218 687 Q HN 0.468 nan 8.270 nan 0.000 0.547 688 E N 0.479 120.680 120.200 0.001 0.000 2.766 688 E HA 0.064 4.414 4.350 -0.000 0.000 0.261 688 E C 0.111 176.720 176.600 0.016 0.000 1.427 688 E CA -0.336 56.069 56.400 0.009 0.000 1.085 688 E CB 0.509 30.216 29.700 0.012 0.000 1.074 688 E HN 0.363 nan 8.360 nan 0.000 0.651 689 V N -0.423 119.505 119.914 0.024 0.000 2.655 689 V HA 0.068 4.188 4.120 -0.000 0.000 0.300 689 V C 0.493 176.604 176.094 0.030 0.000 1.044 689 V CA -0.704 61.612 62.300 0.025 0.000 1.095 689 V CB 0.154 31.996 31.823 0.031 0.000 0.952 689 V HN 0.745 nan 8.190 nan 0.000 0.485 690 T N 2.099 116.665 114.554 0.021 0.000 2.855 690 T HA 0.216 4.566 4.350 -0.000 0.000 0.322 690 T C 1.168 175.874 174.700 0.011 0.000 1.088 690 T CA 0.281 62.392 62.100 0.018 0.000 1.104 690 T CB 0.303 69.175 68.868 0.006 0.000 0.996 690 T HN 0.557 nan 8.240 nan 0.000 0.549 691 I N 1.866 122.440 120.570 0.008 0.000 2.163 691 I HA -0.094 4.076 4.170 -0.000 0.000 0.243 691 I C 2.875 178.894 176.117 -0.164 0.000 1.085 691 I CA 1.759 63.020 61.300 -0.064 0.000 1.347 691 I CB -1.022 36.961 38.000 -0.027 0.000 1.044 691 I HN 0.950 nan 8.210 nan 0.000 0.408 692 G N -0.136 108.607 108.800 -0.094 0.000 2.450 692 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 692 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 692 G C 1.747 176.611 174.900 -0.060 0.000 1.130 692 G CA 0.981 46.029 45.100 -0.086 0.000 0.760 692 G HN 0.373 nan 8.290 nan 0.000 0.557 693 S N 0.684 116.365 115.700 -0.032 0.000 2.383 693 S HA -0.087 4.383 4.470 -0.000 0.000 0.227 693 S C 2.263 176.865 174.600 0.002 0.000 1.026 693 S CA 0.814 59.011 58.200 -0.005 0.000 0.981 693 S CB -0.195 63.010 63.200 0.008 0.000 0.818 693 S HN 0.430 nan 8.310 nan 0.000 0.472 694 N N 1.206 119.899 118.700 -0.011 0.000 2.135 694 N HA -0.016 4.724 4.740 -0.000 0.000 0.186 694 N C 1.828 177.341 175.510 0.005 0.000 1.027 694 N CA 1.013 54.079 53.050 0.026 0.000 0.849 694 N CB -0.495 38.051 38.487 0.099 0.000 1.002 694 N HN 0.174 nan 8.380 nan 0.000 0.425 695 V N 1.631 121.471 119.914 -0.122 0.000 2.392 695 V HA -0.200 3.920 4.120 -0.000 0.000 0.249 695 V C 2.270 178.387 176.094 0.038 0.000 1.059 695 V CA 1.493 63.748 62.300 -0.075 0.000 1.051 695 V CB -0.617 31.110 31.823 -0.160 0.000 0.658 695 V HN 0.267 nan 8.190 nan 0.000 0.455 696 S N -0.694 115.019 115.700 0.023 0.000 2.399 696 S HA -0.199 4.271 4.470 -0.000 0.000 0.231 696 S C 1.946 176.634 174.600 0.147 0.000 1.022 696 S CA 1.350 59.602 58.200 0.088 0.000 0.983 696 S CB -0.237 62.992 63.200 0.047 0.000 0.803 696 S HN 0.629 nan 8.310 nan 0.000 0.480 697 K N 0.710 121.166 120.400 0.092 0.000 2.155 697 K HA 0.083 4.403 4.320 -0.000 0.000 0.203 697 K C 1.862 178.517 176.600 0.091 0.000 1.052 697 K CA 0.953 57.286 56.287 0.076 0.000 0.948 697 K CB -0.235 32.289 32.500 0.040 0.000 0.728 697 K HN 0.370 nan 8.250 nan 0.000 0.448 698 I N 0.009 120.651 120.570 0.119 0.000 2.353 698 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 698 I C 2.380 178.598 176.117 0.168 0.000 1.119 698 I CA 0.918 62.303 61.300 0.142 0.000 1.417 698 I CB -0.281 37.818 38.000 0.164 0.000 1.078 698 I HN 0.103 nan 8.210 nan 0.000 0.421 699 Y N 2.239 122.566 120.300 0.046 0.000 2.145 699 Y HA -0.271 4.279 4.550 -0.000 0.000 0.286 699 Y C 2.392 178.313 175.900 0.036 0.000 1.145 699 Y CA 1.737 59.853 58.100 0.027 0.000 1.148 699 Y CB -0.364 38.094 38.460 -0.002 0.000 0.981 699 Y HN 0.140 nan 8.280 nan 0.000 0.507 700 E N 0.044 120.240 120.200 -0.007 0.000 2.160 700 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 700 E C 2.283 178.845 176.600 -0.064 0.000 0.991 700 E CA 0.973 57.315 56.400 -0.097 0.000 0.810 700 E CB -0.319 29.404 29.700 0.040 0.000 0.742 700 E HN 0.615 nan 8.360 nan 0.000 0.466 701 A N 0.721 123.558 122.820 0.028 0.000 2.014 701 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 701 A C 2.067 179.685 177.584 0.056 0.000 1.163 701 A CA 0.775 52.877 52.037 0.109 0.000 0.652 701 A CB -0.296 18.858 19.000 0.257 0.000 0.808 701 A HN 0.117 nan 8.150 nan 0.000 0.449 702 I N -0.727 119.836 120.570 -0.011 0.000 2.235 702 I HA -0.163 4.007 4.170 -0.000 0.000 0.241 702 I C 2.222 178.275 176.117 -0.108 0.000 1.085 702 I CA 0.938 62.211 61.300 -0.045 0.000 1.378 702 I CB -0.197 37.778 38.000 -0.043 0.000 1.076 702 I HN 0.083 nan 8.210 nan 0.000 0.415 703 K N 0.965 121.212 120.400 -0.254 0.000 2.103 703 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 703 K C 2.144 178.672 176.600 -0.119 0.000 1.048 703 K CA 1.867 58.006 56.287 -0.246 0.000 0.930 703 K CB -0.736 31.500 32.500 -0.440 0.000 0.716 703 K HN 0.432 nan 8.250 nan 0.000 0.444 704 S N -0.894 114.754 115.700 -0.088 0.000 2.561 704 S HA 0.090 4.560 4.470 -0.000 0.000 0.225 704 S C 1.487 176.086 174.600 -0.001 0.000 0.977 704 S CA 0.799 58.980 58.200 -0.033 0.000 0.926 704 S CB -0.027 63.167 63.200 -0.010 0.000 0.769 704 S HN 0.422 nan 8.310 nan 0.000 0.533 705 G N 2.034 110.837 108.800 0.006 0.000 2.179 705 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.260 705 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.260 705 G C 0.832 175.738 174.900 0.009 0.000 0.977 705 G CA 0.396 45.514 45.100 0.030 0.000 0.641 705 G HN 0.587 nan 8.290 nan 0.000 0.533 706 R N 0.284 120.798 120.500 0.023 0.000 2.241 706 R HA 0.218 4.558 4.340 -0.000 0.000 0.224 706 R C 2.275 178.520 176.300 -0.093 0.000 1.101 706 R CA 1.471 57.591 56.100 0.032 0.000 0.995 706 R CB -0.230 30.154 30.300 0.139 0.000 0.870 706 R HN 0.600 nan 8.270 nan 0.000 0.463 707 I N 0.513 121.011 120.570 -0.120 0.000 3.603 707 I HA -0.088 4.082 4.170 -0.000 0.000 0.297 707 I C 0.562 176.528 176.117 -0.251 0.000 1.269 707 I CA 0.252 61.360 61.300 -0.320 0.000 1.361 707 I CB 0.030 37.957 38.000 -0.123 0.000 1.063 707 I HN 0.194 nan 8.210 nan 0.000 0.448 708 N N 1.702 120.319 118.700 -0.138 0.000 2.043 708 N HA -0.214 4.526 4.740 -0.000 0.000 0.193 708 N C 1.487 176.922 175.510 -0.124 0.000 1.037 708 N CA 1.525 54.513 53.050 -0.104 0.000 0.851 708 N CB -0.606 37.854 38.487 -0.044 0.000 1.027 708 N HN 0.304 nan 8.380 nan 0.000 0.422 709 N N 0.308 118.933 118.700 -0.125 0.000 2.223 709 N HA -0.063 4.677 4.740 -0.000 0.000 0.185 709 N C 1.741 177.161 175.510 -0.150 0.000 1.016 709 N CA 0.437 53.420 53.050 -0.112 0.000 0.863 709 N CB -0.342 38.096 38.487 -0.083 0.000 0.983 709 N HN 0.055 nan 8.380 nan 0.000 0.429 710 V N 1.733 121.493 119.914 -0.256 0.000 2.295 710 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 710 V C 2.426 178.415 176.094 -0.175 0.000 1.049 710 V CA 1.242 63.374 62.300 -0.281 0.000 1.024 710 V CB -0.520 30.950 31.823 -0.588 0.000 0.648 710 V HN 0.244 nan 8.190 nan 0.000 0.447 711 L N -0.897 120.225 121.223 -0.168 0.000 2.046 711 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 711 L C 2.464 179.282 176.870 -0.087 0.000 1.077 711 L CA 1.228 56.003 54.840 -0.109 0.000 0.747 711 L CB -0.581 41.419 42.059 -0.098 0.000 0.896 711 L HN 0.345 nan 8.230 nan 0.000 0.432 712 L N 0.130 121.299 121.223 -0.090 0.000 2.017 712 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 712 L C 1.564 178.398 176.870 -0.061 0.000 1.073 712 L CA 1.524 56.320 54.840 -0.074 0.000 0.745 712 L CB -0.434 41.583 42.059 -0.071 0.000 0.894 712 L HN 0.056 nan 8.230 nan 0.000 0.432 716 A N 0.000 122.795 122.820 -0.041 0.000 2.254 716 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 716 A CA 0.000 52.014 52.037 -0.039 0.000 0.836 716 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 716 A HN 0.000 nan 8.150 nan 0.000 0.486