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 1oxh_1_D DATA FIRST_RESID 2 DATA SEQUENCE KLNRVVVTGY GVTSPIGNTP EEFWNSLATG KIGIGGITKF DHSDFDVHNA DATA SEQUENCE AEIQDFPFDK YFVKKDTNRF DNYSLYALYA AQEAVNHANL DVEALNRDRF DATA SEQUENCE GVIVASGIGG IKEIEDQVLR LHEKGPKRVK PMTLPKALPN MASGNVAMRF DATA SEQUENCE GANGVCKSIN TACSSSNDAI GDAFRSIKFG FQDVMLVGGT EASITPFAIA DATA SEQUENCE GFQALTALST TEDPTRASIP FDKDRNGFVM GEGSGMLVLE SLEHAEKRGA DATA SEQUENCE TILAEVVGYG NTCDAYHMTS PHPEGQGAIK AIKLALEEAE ISPEQVAYVN DATA SEQUENCE AHGTSTPANE KGESGAIVAV LGKEVPVSST KSFTGHLLGA AGAVEAIVTI DATA SEQUENCE EAMRHNFVPM TAGTSEVSDY IEANVVYGQG LEKEIPYAIS NTFGFGGHNA DATA SEQUENCE VLAFKRWE 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.540 176.600 -0.099 0.000 0.988 2 K CA 0.000 56.255 56.287 -0.054 0.000 0.838 2 K CB 0.000 32.482 32.500 -0.031 0.000 1.064 3 L N 3.332 124.483 121.223 -0.120 0.000 2.289 3 L HA 0.491 4.831 4.340 -0.000 0.000 0.285 3 L C -0.427 176.349 176.870 -0.156 0.000 1.049 3 L CA -0.855 53.856 54.840 -0.215 0.000 0.804 3 L CB 1.359 43.274 42.059 -0.240 0.000 1.195 3 L HN 0.318 nan 8.230 nan 0.000 0.428 4 N N 3.031 121.623 118.700 -0.180 0.000 2.509 4 N HA 0.377 5.117 4.740 -0.000 0.000 0.287 4 N C -0.440 175.025 175.510 -0.075 0.000 1.121 4 N CA -0.690 52.299 53.050 -0.101 0.000 0.977 4 N CB 1.648 40.085 38.487 -0.082 0.000 1.167 4 N HN 0.472 nan 8.380 nan 0.000 0.476 5 R N 0.312 120.810 120.500 -0.002 0.000 2.531 5 R HA 0.447 4.786 4.340 -0.000 0.000 0.273 5 R C -0.500 175.841 176.300 0.068 0.000 1.070 5 R CA -0.465 55.672 56.100 0.061 0.000 1.112 5 R CB 0.801 31.160 30.300 0.098 0.000 1.049 5 R HN 0.254 nan 8.270 nan 0.000 0.508 6 V N 2.680 122.678 119.914 0.139 0.000 2.487 6 V HA 0.392 4.512 4.120 -0.000 0.000 0.298 6 V C -0.535 175.619 176.094 0.099 0.000 1.028 6 V CA -0.728 61.658 62.300 0.143 0.000 0.860 6 V CB 1.897 33.908 31.823 0.314 0.000 0.991 6 V HN 0.415 nan 8.190 nan 0.000 0.427 7 V N 4.992 124.918 119.914 0.020 0.000 2.735 7 V HA 0.512 4.632 4.120 -0.000 0.000 0.310 7 V C -0.476 175.589 176.094 -0.047 0.000 1.061 7 V CA -0.576 61.682 62.300 -0.069 0.000 0.913 7 V CB 2.740 34.433 31.823 -0.217 0.000 1.005 7 V HN 0.634 nan 8.190 nan 0.000 0.428 8 V N 4.501 124.392 119.914 -0.038 0.000 2.385 8 V HA 0.297 4.416 4.120 -0.000 0.000 0.269 8 V C 1.096 177.161 176.094 -0.050 0.000 1.043 8 V CA 0.448 62.759 62.300 0.018 0.000 0.906 8 V CB 1.142 33.033 31.823 0.113 0.000 0.995 8 V HN 1.086 nan 8.190 nan 0.000 0.467 9 T N 0.381 114.903 114.554 -0.053 0.000 3.044 9 T HA 0.531 4.881 4.350 -0.000 0.000 0.260 9 T C 0.571 175.211 174.700 -0.100 0.000 1.019 9 T CA 0.333 62.368 62.100 -0.108 0.000 0.921 9 T CB 0.505 69.306 68.868 -0.111 0.000 1.053 9 T HN 1.093 nan 8.240 nan 0.000 0.533 10 G N 0.592 109.369 108.800 -0.038 0.000 2.387 10 G HA2 0.511 4.471 3.960 -0.000 0.000 0.294 10 G HA3 0.511 4.471 3.960 -0.000 0.000 0.294 10 G C -2.091 172.767 174.900 -0.070 0.000 1.509 10 G CA -0.955 44.139 45.100 -0.010 0.000 0.806 10 G HN 0.483 nan 8.290 nan 0.000 0.546 11 Y N -1.816 118.417 120.300 -0.112 0.000 2.624 11 Y HA 0.863 5.413 4.550 -0.000 0.000 0.334 11 Y C 0.136 175.831 175.900 -0.340 0.000 1.155 11 Y CA -1.181 56.784 58.100 -0.224 0.000 1.046 11 Y CB 1.214 39.559 38.460 -0.193 0.000 1.316 11 Y HN 1.217 nan 8.280 nan 0.000 0.457 12 G N 0.018 108.817 108.800 -0.001 0.000 2.619 12 G HA2 0.663 4.623 3.960 -0.000 0.000 0.296 12 G HA3 0.663 4.623 3.960 -0.000 0.000 0.296 12 G C -2.167 172.722 174.900 -0.018 0.000 1.334 12 G CA -1.251 43.817 45.100 -0.053 0.000 0.934 12 G HN 1.240 nan 8.290 nan 0.000 0.476 13 V N 0.223 120.154 119.914 0.028 0.000 2.852 13 V HA 0.739 4.858 4.120 -0.000 0.000 0.300 13 V C -0.878 175.342 176.094 0.210 0.000 1.205 13 V CA -0.518 61.785 62.300 0.006 0.000 0.940 13 V CB 2.249 33.881 31.823 -0.319 0.000 1.047 13 V HN 1.049 nan 8.190 nan 0.000 0.429 14 T N 4.178 118.848 114.554 0.194 0.000 2.823 14 T HA 0.867 5.217 4.350 -0.000 0.000 0.279 14 T C -0.355 174.341 174.700 -0.006 0.000 0.998 14 T CA -0.198 61.962 62.100 0.100 0.000 0.994 14 T CB 1.440 70.287 68.868 -0.035 0.000 0.960 14 T HN 1.309 nan 8.240 nan 0.000 0.448 15 S N 1.443 117.166 115.700 0.040 0.000 2.611 15 S HA 0.518 4.987 4.470 -0.000 0.000 0.268 15 S C -2.880 171.777 174.600 0.096 0.000 1.156 15 S CA -1.378 56.870 58.200 0.080 0.000 0.817 15 S CB 1.253 64.602 63.200 0.247 0.000 1.122 15 S HN 0.294 nan 8.310 nan 0.000 0.466 16 P HA 0.108 nan 4.420 nan 0.000 0.231 16 P C 0.903 178.265 177.300 0.104 0.000 1.158 16 P CA 0.790 63.941 63.100 0.085 0.000 0.763 16 P CB -0.325 31.424 31.700 0.082 0.000 0.805 17 I N -6.502 114.155 120.570 0.146 0.000 4.050 17 I HA 0.603 4.773 4.170 -0.000 0.000 0.327 17 I C 0.297 176.508 176.117 0.157 0.000 1.473 17 I CA -0.434 60.934 61.300 0.113 0.000 1.124 17 I CB 0.645 38.667 38.000 0.035 0.000 1.129 17 I HN -0.172 nan 8.210 nan 0.000 0.428 18 G N 1.276 110.203 108.800 0.211 0.000 2.343 18 G HA2 0.029 3.989 3.960 -0.000 0.000 0.298 18 G HA3 0.029 3.989 3.960 -0.000 0.000 0.298 18 G C -1.059 173.976 174.900 0.225 0.000 1.644 18 G CA -0.636 44.599 45.100 0.225 0.000 0.958 18 G HN 0.036 nan 8.290 nan 0.000 0.702 19 N N -0.136 118.677 118.700 0.188 0.000 2.204 19 N HA 0.200 4.940 4.740 -0.000 0.000 0.219 19 N C 0.410 176.083 175.510 0.271 0.000 1.151 19 N CA 0.764 53.943 53.050 0.215 0.000 0.867 19 N CB 1.487 40.053 38.487 0.132 0.000 1.043 19 N HN 0.980 nan 8.380 nan 0.000 0.516 20 T N -3.401 111.279 114.554 0.209 0.000 2.903 20 T HA 0.422 4.772 4.350 -0.000 0.000 0.299 20 T C -2.470 172.341 174.700 0.185 0.000 1.093 20 T CA -1.652 60.550 62.100 0.170 0.000 1.002 20 T CB 2.894 71.850 68.868 0.148 0.000 1.127 20 T HN -0.351 nan 8.240 nan 0.000 0.488 21 P HA -0.059 nan 4.420 nan 0.000 0.218 21 P C 1.427 178.926 177.300 0.331 0.000 1.149 21 P CA 0.901 64.147 63.100 0.245 0.000 0.817 21 P CB 0.148 31.985 31.700 0.228 0.000 0.785 22 E N 0.106 120.452 120.200 0.244 0.000 2.085 22 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 22 E C 2.029 178.755 176.600 0.210 0.000 0.994 22 E CA 1.191 57.721 56.400 0.217 0.000 0.801 22 E CB -0.531 29.258 29.700 0.149 0.000 0.743 22 E HN 0.480 nan 8.360 nan 0.000 0.453 23 E N 0.204 120.520 120.200 0.193 0.000 2.076 23 E HA -0.139 4.211 4.350 -0.000 0.000 0.190 23 E C 1.978 178.672 176.600 0.157 0.000 0.979 23 E CA 0.243 56.731 56.400 0.146 0.000 0.807 23 E CB -0.154 29.629 29.700 0.137 0.000 0.761 23 E HN 0.121 nan 8.360 nan 0.000 0.454 24 F N 1.284 121.279 119.950 0.075 0.000 2.065 24 F HA -0.261 4.266 4.527 -0.000 0.000 0.298 24 F C 2.144 177.964 175.800 0.033 0.000 1.112 24 F CA 2.185 60.219 58.000 0.056 0.000 1.212 24 F CB -0.481 38.574 39.000 0.092 0.000 0.975 24 F HN 0.264 nan 8.300 nan 0.000 0.476 25 W N 1.248 122.595 121.300 0.078 0.000 2.381 25 W HA -0.278 4.381 4.660 -0.000 0.000 0.301 25 W C 2.165 178.574 176.519 -0.184 0.000 1.205 25 W CA 1.707 58.996 57.345 -0.093 0.000 1.285 25 W CB -0.953 28.488 29.460 -0.031 0.000 1.133 25 W HN 0.217 nan 8.180 nan 0.000 0.521 26 N N 0.357 118.975 118.700 -0.137 0.000 2.104 26 N HA -0.193 4.547 4.740 -0.000 0.000 0.190 26 N C 1.867 177.187 175.510 -0.315 0.000 1.024 26 N CA 2.735 55.651 53.050 -0.223 0.000 0.853 26 N CB -0.555 37.902 38.487 -0.051 0.000 1.008 26 N HN -0.104 nan 8.380 nan 0.000 0.424 27 S N -0.024 115.516 115.700 -0.267 0.000 2.359 27 S HA -0.071 4.399 4.470 -0.000 0.000 0.224 27 S C 1.858 176.226 174.600 -0.387 0.000 1.035 27 S CA 1.079 59.141 58.200 -0.229 0.000 1.018 27 S CB -0.376 62.718 63.200 -0.176 0.000 0.876 27 S HN 0.321 nan 8.310 nan 0.000 0.448 28 L N 1.077 121.815 121.223 -0.807 0.000 2.046 28 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 28 L C 2.773 179.189 176.870 -0.757 0.000 1.077 28 L CA 1.225 55.372 54.840 -1.154 0.000 0.747 28 L CB -0.709 40.586 42.059 -1.273 0.000 0.896 28 L HN 0.315 nan 8.230 nan 0.000 0.432 29 A N -0.105 122.160 122.820 -0.925 0.000 1.972 29 A HA -0.172 4.147 4.320 -0.000 0.000 0.219 29 A C 2.206 179.616 177.584 -0.290 0.000 1.169 29 A CA 2.122 53.763 52.037 -0.660 0.000 0.635 29 A CB -0.719 17.796 19.000 -0.810 0.000 0.810 29 A HN 0.523 nan 8.150 nan 0.000 0.446 30 T N -5.085 109.344 114.554 -0.208 0.000 3.092 30 T HA 0.439 4.789 4.350 -0.000 0.000 0.258 30 T C 1.106 175.810 174.700 0.005 0.000 1.031 30 T CA 0.933 62.980 62.100 -0.089 0.000 0.925 30 T CB 0.129 68.944 68.868 -0.089 0.000 1.036 30 T HN 1.695 nan 8.240 nan 0.000 0.544 31 G N 2.276 111.140 108.800 0.107 0.000 2.198 31 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.257 31 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.257 31 G C -0.294 174.679 174.900 0.121 0.000 1.042 31 G CA -0.350 44.878 45.100 0.212 0.000 0.791 31 G HN 0.539 nan 8.290 nan 0.000 0.502 32 K N 0.626 121.143 120.400 0.195 0.000 2.234 32 K HA 0.573 4.893 4.320 -0.000 0.000 0.277 32 K C 1.076 177.764 176.600 0.146 0.000 1.038 32 K CA -0.754 55.584 56.287 0.084 0.000 0.888 32 K CB 1.450 33.978 32.500 0.047 0.000 1.091 32 K HN 0.692 nan 8.250 nan 0.000 0.467 33 I N -2.333 118.214 120.570 -0.039 0.000 2.934 33 I HA 0.524 4.694 4.170 -0.000 0.000 0.315 33 I C 0.864 176.993 176.117 0.020 0.000 0.997 33 I CA -0.348 60.913 61.300 -0.065 0.000 1.184 33 I CB 1.497 39.349 38.000 -0.246 0.000 1.400 33 I HN 0.515 nan 8.210 nan 0.000 0.549 34 G N 4.084 112.910 108.800 0.044 0.000 3.324 34 G HA2 0.280 4.239 3.960 -0.000 0.000 0.251 34 G HA3 0.280 4.239 3.960 -0.000 0.000 0.251 34 G C 0.460 175.373 174.900 0.023 0.000 1.072 34 G CA -0.108 45.020 45.100 0.047 0.000 0.787 34 G HN 0.405 nan 8.290 nan 0.000 0.537 35 I N 1.857 122.426 120.570 -0.001 0.000 2.529 35 I HA 0.529 4.699 4.170 -0.000 0.000 0.284 35 I C 0.840 176.943 176.117 -0.024 0.000 1.082 35 I CA -0.062 61.230 61.300 -0.013 0.000 1.406 35 I CB 0.453 38.438 38.000 -0.026 0.000 1.405 35 I HN 0.083 nan 8.210 nan 0.000 0.548 36 G N 3.557 112.338 108.800 -0.031 0.000 2.606 36 G HA2 0.549 4.509 3.960 -0.000 0.000 0.300 36 G HA3 0.549 4.509 3.960 -0.000 0.000 0.300 36 G C -0.488 174.375 174.900 -0.063 0.000 1.360 36 G CA -0.498 44.579 45.100 -0.038 0.000 0.783 36 G HN 0.776 nan 8.290 nan 0.000 0.484 37 G N -0.814 107.949 108.800 -0.060 0.000 2.414 37 G HA2 0.407 4.367 3.960 -0.000 0.000 0.236 37 G HA3 0.407 4.367 3.960 -0.000 0.000 0.236 37 G C 0.277 175.088 174.900 -0.149 0.000 1.293 37 G CA -0.279 44.764 45.100 -0.096 0.000 0.869 37 G HN 0.609 nan 8.290 nan 0.000 0.556 38 I N 1.383 121.754 120.570 -0.332 0.000 2.556 38 I HA 0.094 4.263 4.170 -0.000 0.000 0.284 38 I C 1.638 177.651 176.117 -0.174 0.000 1.114 38 I CA 0.341 61.413 61.300 -0.380 0.000 1.418 38 I CB 1.281 38.818 38.000 -0.771 0.000 1.394 38 I HN 0.700 nan 8.210 nan 0.000 0.552 39 T N 0.834 115.313 114.554 -0.125 0.000 2.975 39 T HA 0.154 4.504 4.350 -0.000 0.000 0.261 39 T C 1.289 175.962 174.700 -0.044 0.000 0.984 39 T CA -0.343 61.728 62.100 -0.048 0.000 0.911 39 T CB 0.131 68.992 68.868 -0.012 0.000 1.127 39 T HN 0.468 nan 8.240 nan 0.000 0.514 40 K N 0.810 121.171 120.400 -0.065 0.000 2.365 40 K HA 0.226 4.546 4.320 -0.000 0.000 0.199 40 K C 0.053 176.765 176.600 0.188 0.000 1.045 40 K CA 0.729 57.061 56.287 0.075 0.000 0.962 40 K CB -0.046 32.554 32.500 0.166 0.000 0.759 40 K HN 0.677 nan 8.250 nan 0.000 0.469 41 F N -2.120 117.846 119.950 0.026 0.000 2.741 41 F HA 0.312 4.839 4.527 -0.000 0.000 0.313 41 F C -1.373 174.445 175.800 0.029 0.000 1.153 41 F CA -1.949 56.059 58.000 0.013 0.000 0.931 41 F CB 0.666 39.653 39.000 -0.021 0.000 1.335 41 F HN -0.327 nan 8.300 nan 0.000 0.460 42 D N 0.543 121.076 120.400 0.222 0.000 2.325 42 D HA 0.191 4.831 4.640 -0.000 0.000 0.251 42 D C 0.142 176.529 176.300 0.146 0.000 1.196 42 D CA 0.100 54.137 54.000 0.061 0.000 0.866 42 D CB 0.340 41.198 40.800 0.097 0.000 1.101 42 D HN 0.728 nan 8.370 nan 0.000 0.476 43 H N 0.369 119.426 119.070 -0.021 0.000 2.528 43 H HA 0.247 4.803 4.556 -0.000 0.000 0.282 43 H C 1.315 176.850 175.328 0.345 0.000 1.097 43 H CA 0.131 56.180 56.048 0.002 0.000 1.121 43 H CB -0.016 29.515 29.762 -0.384 0.000 1.590 43 H HN 0.198 nan 8.280 nan 0.000 0.553 44 S N -0.111 115.670 115.700 0.135 0.000 2.399 44 S HA -0.191 4.279 4.470 -0.000 0.000 0.231 44 S C 1.038 175.813 174.600 0.292 0.000 1.022 44 S CA 1.265 59.569 58.200 0.174 0.000 0.983 44 S CB -0.085 63.134 63.200 0.033 0.000 0.803 44 S HN 0.424 nan 8.310 nan 0.000 0.480 45 D N 0.309 120.904 120.400 0.326 0.000 2.339 45 D HA 0.308 4.948 4.640 -0.000 0.000 0.217 45 D C -0.305 176.070 176.300 0.124 0.000 1.050 45 D CA 0.043 54.153 54.000 0.183 0.000 0.856 45 D CB -0.119 40.728 40.800 0.078 0.000 0.922 45 D HN 0.341 nan 8.370 nan 0.000 0.518 46 F N 0.949 120.967 119.950 0.113 0.000 2.380 46 F HA 0.185 4.711 4.527 -0.000 0.000 0.321 46 F C 1.693 177.441 175.800 -0.087 0.000 1.103 46 F CA -0.708 57.297 58.000 0.009 0.000 1.067 46 F CB 0.894 39.899 39.000 0.008 0.000 1.265 46 F HN -0.292 nan 8.300 nan 0.000 0.517 47 D N 0.049 120.478 120.400 0.048 0.000 2.346 47 D HA 0.066 4.706 4.640 -0.000 0.000 0.206 47 D C 0.041 176.246 176.300 -0.157 0.000 1.001 47 D CA 0.780 54.781 54.000 0.001 0.000 0.871 47 D CB 0.346 41.159 40.800 0.021 0.000 0.943 47 D HN -0.005 nan 8.370 nan 0.000 0.518 48 V N 1.583 121.348 119.914 -0.249 0.000 2.427 48 V HA 0.180 4.300 4.120 -0.000 0.000 0.286 48 V C 0.601 176.336 176.094 -0.599 0.000 1.034 48 V CA -0.420 61.718 62.300 -0.271 0.000 0.893 48 V CB 1.798 33.549 31.823 -0.120 0.000 0.982 48 V HN 0.203 nan 8.190 nan 0.000 0.452 49 H N 2.198 121.195 119.070 -0.121 0.000 3.078 49 H HA 0.351 4.906 4.556 -0.000 0.000 0.263 49 H C -0.268 174.830 175.328 -0.384 0.000 1.177 49 H CA -0.271 55.580 56.048 -0.329 0.000 1.128 49 H CB 0.895 30.587 29.762 -0.116 0.000 1.623 49 H HN 0.515 nan 8.280 nan 0.000 0.592 50 N N 0.914 119.504 118.700 -0.184 0.000 2.292 50 N HA 0.669 5.408 4.740 -0.000 0.000 0.303 50 N C -0.596 174.831 175.510 -0.138 0.000 1.140 50 N CA -0.267 52.694 53.050 -0.148 0.000 0.788 50 N CB 2.964 41.405 38.487 -0.076 0.000 1.361 50 N HN 0.228 nan 8.380 nan 0.000 0.489 51 A N -0.298 122.462 122.820 -0.100 0.000 2.586 51 A HA 0.772 5.092 4.320 -0.000 0.000 0.290 51 A C -1.662 175.914 177.584 -0.014 0.000 1.086 51 A CA -0.650 51.358 52.037 -0.048 0.000 0.665 51 A CB 0.816 19.782 19.000 -0.057 0.000 1.279 51 A HN 0.588 nan 8.150 nan 0.000 0.423 52 A N 1.124 123.960 122.820 0.026 0.000 2.540 52 A HA 0.606 4.926 4.320 -0.000 0.000 0.340 52 A C -0.143 177.467 177.584 0.043 0.000 1.424 52 A CA -0.261 51.800 52.037 0.040 0.000 0.940 52 A CB -0.367 18.675 19.000 0.070 0.000 1.149 52 A HN 0.649 nan 8.150 nan 0.000 0.505 53 E N 1.314 121.530 120.200 0.027 0.000 2.319 53 E HA 0.371 4.721 4.350 -0.000 0.000 0.268 53 E C -0.732 175.885 176.600 0.027 0.000 1.050 53 E CA -0.473 55.946 56.400 0.031 0.000 0.878 53 E CB 1.545 31.260 29.700 0.024 0.000 1.066 53 E HN 0.626 nan 8.360 nan 0.000 0.406 54 I N 2.578 123.154 120.570 0.010 0.000 2.301 54 I HA -0.001 4.169 4.170 -0.000 0.000 0.292 54 I C 0.857 177.007 176.117 0.055 0.000 1.046 54 I CA 0.314 61.616 61.300 0.003 0.000 1.282 54 I CB 0.431 38.361 38.000 -0.117 0.000 1.409 54 I HN 0.423 nan 8.210 nan 0.000 0.484 55 Q N 3.876 123.713 119.800 0.063 0.000 2.282 55 Q HA 0.042 4.382 4.340 -0.000 0.000 0.206 55 Q C -0.367 175.685 176.000 0.087 0.000 0.878 55 Q CA 0.133 55.978 55.803 0.071 0.000 0.944 55 Q CB 0.446 29.212 28.738 0.047 0.000 1.100 55 Q HN 0.713 nan 8.270 nan 0.000 0.509 56 D N -0.891 119.572 120.400 0.105 0.000 2.940 56 D HA -0.007 4.633 4.640 -0.000 0.000 0.366 56 D C -0.557 175.816 176.300 0.121 0.000 1.446 56 D CA -0.651 53.406 54.000 0.095 0.000 0.780 56 D CB -0.760 40.075 40.800 0.059 0.000 1.206 56 D HN -0.071 nan 8.370 nan 0.000 0.454 57 F N 2.924 122.883 119.950 0.016 0.000 2.590 57 F HA 0.238 4.764 4.527 -0.000 0.000 0.389 57 F C -1.773 174.051 175.800 0.039 0.000 1.049 57 F CA -2.060 55.937 58.000 -0.005 0.000 1.199 57 F CB 0.672 39.734 39.000 0.103 0.000 1.058 57 F HN -0.146 nan 8.300 nan 0.000 0.556 58 P HA -0.009 nan 4.420 nan 0.000 0.231 58 P C 0.745 177.683 177.300 -0.602 0.000 1.756 58 P CA 0.340 63.141 63.100 -0.498 0.000 0.990 58 P CB -0.699 30.779 31.700 -0.370 0.000 1.973 59 F N 1.743 121.367 119.950 -0.543 0.000 2.161 59 F HA -0.212 4.315 4.527 -0.000 0.000 0.300 59 F C 1.412 177.236 175.800 0.039 0.000 1.089 59 F CA 1.716 59.647 58.000 -0.115 0.000 1.282 59 F CB 0.030 39.136 39.000 0.177 0.000 1.010 59 F HN 0.028 nan 8.300 nan 0.000 0.485 60 D N 0.095 120.516 120.400 0.035 0.000 2.277 60 D HA -0.135 4.505 4.640 -0.000 0.000 0.208 60 D C 2.086 178.252 176.300 -0.222 0.000 0.962 60 D CA 0.620 54.599 54.000 -0.035 0.000 0.865 60 D CB -0.328 40.498 40.800 0.043 0.000 0.939 60 D HN 0.352 nan 8.370 nan 0.000 0.510 61 K N -0.358 119.834 120.400 -0.346 0.000 2.074 61 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 61 K C 0.938 177.085 176.600 -0.756 0.000 1.048 61 K CA 1.410 57.346 56.287 -0.584 0.000 0.926 61 K CB 0.087 32.156 32.500 -0.719 0.000 0.713 61 K HN 0.274 nan 8.250 nan 0.000 0.444 62 Y N -2.709 117.296 120.300 -0.491 0.000 2.476 62 Y HA 0.237 4.786 4.550 -0.000 0.000 0.261 62 Y C 0.038 175.487 175.900 -0.752 0.000 1.077 62 Y CA -1.146 56.553 58.100 -0.667 0.000 1.240 62 Y CB 0.742 38.665 38.460 -0.895 0.000 1.317 62 Y HN -0.163 nan 8.280 nan 0.000 0.540 63 F N 0.200 120.029 119.950 -0.202 0.000 2.594 63 F HA 0.661 5.188 4.527 -0.000 0.000 0.335 63 F C -0.025 175.585 175.800 -0.317 0.000 1.058 63 F CA -1.693 56.093 58.000 -0.357 0.000 0.981 63 F CB 1.422 39.927 39.000 -0.826 0.000 1.289 63 F HN -0.377 nan 8.300 nan 0.000 0.490 64 V N -1.424 118.560 119.914 0.117 0.000 3.001 64 V HA 0.458 4.578 4.120 -0.000 0.000 0.314 64 V C 0.689 177.050 176.094 0.445 0.000 1.099 64 V CA -1.159 61.291 62.300 0.249 0.000 0.989 64 V CB 1.781 33.703 31.823 0.165 0.000 1.040 64 V HN 0.857 nan 8.190 nan 0.000 0.434 65 K N 0.941 121.595 120.400 0.423 0.000 2.071 65 K HA -0.264 4.056 4.320 -0.000 0.000 0.217 65 K C 1.922 178.667 176.600 0.242 0.000 1.054 65 K CA 2.620 59.099 56.287 0.320 0.000 0.937 65 K CB -0.216 32.382 32.500 0.163 0.000 0.719 65 K HN 0.797 nan 8.250 nan 0.000 0.454 66 K N 0.238 120.739 120.400 0.168 0.000 2.211 66 K HA -0.152 4.167 4.320 -0.000 0.000 0.204 66 K C 1.526 178.169 176.600 0.071 0.000 1.047 66 K CA 1.532 57.875 56.287 0.094 0.000 0.935 66 K CB -0.053 32.485 32.500 0.063 0.000 0.728 66 K HN 0.290 nan 8.250 nan 0.000 0.452 67 D N -0.116 120.369 120.400 0.142 0.000 2.221 67 D HA -0.132 4.507 4.640 -0.000 0.000 0.204 67 D C 1.738 178.067 176.300 0.048 0.000 0.982 67 D CA 1.572 55.618 54.000 0.076 0.000 0.857 67 D CB -0.204 40.741 40.800 0.243 0.000 0.934 67 D HN 0.393 nan 8.370 nan 0.000 0.475 68 T N -1.977 112.664 114.554 0.145 0.000 3.098 68 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 68 T C 1.359 176.064 174.700 0.009 0.000 1.145 68 T CA 0.795 62.950 62.100 0.093 0.000 1.092 68 T CB -0.459 68.453 68.868 0.075 0.000 0.908 68 T HN 0.176 nan 8.240 nan 0.000 0.526 69 N N 1.267 119.946 118.700 -0.035 0.000 2.416 69 N HA 0.060 4.800 4.740 -0.000 0.000 0.177 69 N C 1.959 177.392 175.510 -0.128 0.000 1.036 69 N CA 0.512 53.524 53.050 -0.063 0.000 0.901 69 N CB -0.007 38.448 38.487 -0.054 0.000 0.976 69 N HN 0.602 nan 8.380 nan 0.000 0.444 70 R N -0.313 120.022 120.500 -0.275 0.000 2.335 70 R HA 0.239 4.579 4.340 -0.000 0.000 0.210 70 R C -0.472 175.578 176.300 -0.417 0.000 0.892 70 R CA 0.133 55.969 56.100 -0.440 0.000 1.048 70 R CB 0.146 30.035 30.300 -0.685 0.000 1.067 70 R HN 0.024 nan 8.270 nan 0.000 0.524 71 F N 1.506 121.435 119.950 -0.035 0.000 2.557 71 F HA 0.300 4.827 4.527 -0.000 0.000 0.316 71 F C -0.222 175.535 175.800 -0.072 0.000 1.141 71 F CA -1.488 56.465 58.000 -0.078 0.000 0.922 71 F CB 1.884 40.793 39.000 -0.152 0.000 1.194 71 F HN -0.098 nan 8.300 nan 0.000 0.443 72 D N 1.823 122.314 120.400 0.152 0.000 2.358 72 D HA 0.034 4.673 4.640 -0.000 0.000 0.244 72 D C 0.613 176.873 176.300 -0.068 0.000 1.163 72 D CA -0.103 53.941 54.000 0.073 0.000 0.945 72 D CB 0.994 41.899 40.800 0.175 0.000 1.152 72 D HN 0.494 nan 8.370 nan 0.000 0.451 73 N N 0.624 119.214 118.700 -0.184 0.000 2.205 73 N HA -0.239 4.500 4.740 -0.000 0.000 0.186 73 N C 1.564 176.596 175.510 -0.798 0.000 1.015 73 N CA 1.049 53.758 53.050 -0.568 0.000 0.862 73 N CB -0.618 37.477 38.487 -0.652 0.000 0.986 73 N HN 0.578 nan 8.380 nan 0.000 0.429 74 Y N 0.308 120.323 120.300 -0.475 0.000 2.224 74 Y HA -0.006 4.544 4.550 -0.000 0.000 0.289 74 Y C 2.204 177.983 175.900 -0.202 0.000 1.146 74 Y CA 1.292 59.212 58.100 -0.299 0.000 1.182 74 Y CB -0.477 37.910 38.460 -0.122 0.000 0.983 74 Y HN -0.104 nan 8.280 nan 0.000 0.524 75 S N 1.031 116.282 115.700 -0.749 0.000 2.362 75 S HA -0.044 4.426 4.470 -0.000 0.000 0.221 75 S C 1.952 176.271 174.600 -0.469 0.000 1.032 75 S CA 1.180 58.955 58.200 -0.709 0.000 0.973 75 S CB -0.534 62.311 63.200 -0.591 0.000 0.849 75 S HN 0.499 nan 8.310 nan 0.000 0.465 76 L N 0.324 121.291 121.223 -0.428 0.000 2.043 76 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 76 L C 2.217 179.190 176.870 0.171 0.000 1.075 76 L CA 1.715 56.384 54.840 -0.285 0.000 0.752 76 L CB -0.822 41.077 42.059 -0.266 0.000 0.891 76 L HN 0.454 nan 8.230 nan 0.000 0.432 77 Y N -0.539 119.718 120.300 -0.071 0.000 2.181 77 Y HA -0.242 4.308 4.550 -0.000 0.000 0.288 77 Y C 2.722 178.729 175.900 0.177 0.000 1.146 77 Y CA 0.180 58.310 58.100 0.049 0.000 1.164 77 Y CB -0.331 38.090 38.460 -0.065 0.000 0.982 77 Y HN 0.210 nan 8.280 nan 0.000 0.515 78 A N 0.485 123.424 122.820 0.197 0.000 1.898 78 A HA -0.134 4.185 4.320 -0.000 0.000 0.216 78 A C 2.183 179.860 177.584 0.155 0.000 1.181 78 A CA 1.215 53.325 52.037 0.123 0.000 0.620 78 A CB -0.969 18.020 19.000 -0.019 0.000 0.819 78 A HN 0.439 nan 8.150 nan 0.000 0.442 79 L N -2.175 119.136 121.223 0.146 0.000 2.017 79 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 79 L C 2.580 179.631 176.870 0.301 0.000 1.073 79 L CA 1.895 56.850 54.840 0.192 0.000 0.745 79 L CB -0.731 41.403 42.059 0.125 0.000 0.894 79 L HN 0.592 nan 8.230 nan 0.000 0.432 80 Y N 0.823 121.368 120.300 0.408 0.000 2.070 80 Y HA -0.353 4.197 4.550 -0.000 0.000 0.280 80 Y C 2.527 178.561 175.900 0.223 0.000 1.148 80 Y CA 1.711 60.029 58.100 0.363 0.000 1.125 80 Y CB -0.383 38.445 38.460 0.612 0.000 0.975 80 Y HN 0.107 nan 8.280 nan 0.000 0.492 81 A N 0.503 123.534 122.820 0.352 0.000 1.940 81 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 81 A C 2.379 179.967 177.584 0.006 0.000 1.176 81 A CA 2.054 54.177 52.037 0.143 0.000 0.631 81 A CB -1.539 17.577 19.000 0.195 0.000 0.814 81 A HN 0.675 nan 8.150 nan 0.000 0.446 82 A N -1.150 121.698 122.820 0.047 0.000 1.898 82 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 82 A C 2.150 179.678 177.584 -0.094 0.000 1.181 82 A CA 2.005 54.034 52.037 -0.014 0.000 0.620 82 A CB -0.477 18.588 19.000 0.108 0.000 0.819 82 A HN 0.516 nan 8.150 nan 0.000 0.442 83 Q N -0.046 119.745 119.800 -0.016 0.000 2.084 83 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 83 Q C 1.891 177.766 176.000 -0.208 0.000 0.978 83 Q CA 1.879 57.611 55.803 -0.119 0.000 0.844 83 Q CB -0.254 28.083 28.738 -0.668 0.000 0.898 83 Q HN 0.620 nan 8.270 nan 0.000 0.426 84 E N -0.179 119.867 120.200 -0.256 0.000 2.118 84 E HA -0.185 4.164 4.350 -0.000 0.000 0.195 84 E C 1.789 178.313 176.600 -0.126 0.000 0.992 84 E CA 1.245 57.530 56.400 -0.191 0.000 0.804 84 E CB -0.345 29.186 29.700 -0.282 0.000 0.741 84 E HN 0.479 nan 8.360 nan 0.000 0.458 85 A N 0.917 123.657 122.820 -0.134 0.000 1.873 85 A HA -0.102 4.217 4.320 -0.000 0.000 0.215 85 A C 2.627 180.145 177.584 -0.110 0.000 1.186 85 A CA 1.219 53.190 52.037 -0.111 0.000 0.616 85 A CB -0.654 18.294 19.000 -0.087 0.000 0.823 85 A HN 0.124 nan 8.150 nan 0.000 0.442 86 V N 1.256 121.060 119.914 -0.184 0.000 2.332 86 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 86 V C 2.334 178.368 176.094 -0.100 0.000 1.055 86 V CA 2.259 64.442 62.300 -0.196 0.000 1.038 86 V CB -1.050 30.583 31.823 -0.318 0.000 0.651 86 V HN 0.558 nan 8.190 nan 0.000 0.450 87 N N -0.233 118.429 118.700 -0.063 0.000 2.058 87 N HA -0.193 4.546 4.740 -0.000 0.000 0.191 87 N C 1.856 177.357 175.510 -0.015 0.000 1.037 87 N CA 1.874 54.910 53.050 -0.024 0.000 0.848 87 N CB -0.685 37.805 38.487 0.005 0.000 1.021 87 N HN 0.660 nan 8.380 nan 0.000 0.422 88 H N 0.316 119.307 119.070 -0.131 0.000 2.422 88 H HA 0.038 4.594 4.556 -0.000 0.000 0.298 88 H C 1.464 176.684 175.328 -0.181 0.000 1.098 88 H CA 1.838 57.784 56.048 -0.170 0.000 1.315 88 H CB -0.082 29.535 29.762 -0.241 0.000 1.382 88 H HN 0.278 nan 8.280 nan 0.000 0.523 89 A N -0.248 122.527 122.820 -0.074 0.000 2.251 89 A HA 0.027 4.346 4.320 -0.000 0.000 0.209 89 A C 1.069 178.575 177.584 -0.129 0.000 1.187 89 A CA 0.632 52.592 52.037 -0.129 0.000 0.823 89 A CB -0.209 18.728 19.000 -0.106 0.000 0.846 89 A HN 0.656 nan 8.150 nan 0.000 0.486 90 N N -1.340 117.293 118.700 -0.112 0.000 2.714 90 N HA -0.175 4.564 4.740 -0.000 0.000 0.252 90 N C -0.608 174.846 175.510 -0.095 0.000 1.014 90 N CA 0.629 53.622 53.050 -0.095 0.000 0.735 90 N CB -1.810 36.617 38.487 -0.099 0.000 0.924 90 N HN 0.413 nan 8.380 nan 0.000 0.540 91 L N 0.789 121.950 121.223 -0.104 0.000 2.265 91 L HA 0.414 4.754 4.340 -0.000 0.000 0.288 91 L C -0.092 176.716 176.870 -0.103 0.000 1.058 91 L CA -0.404 54.362 54.840 -0.123 0.000 0.809 91 L CB 1.041 42.996 42.059 -0.174 0.000 1.179 91 L HN 0.185 nan 8.230 nan 0.000 0.429 92 D N 3.777 124.122 120.400 -0.093 0.000 2.485 92 D HA 0.116 4.756 4.640 -0.000 0.000 0.221 92 D C 1.110 177.370 176.300 -0.068 0.000 1.112 92 D CA -0.180 53.785 54.000 -0.059 0.000 0.911 92 D CB 0.913 41.685 40.800 -0.047 0.000 1.019 92 D HN 0.394 nan 8.370 nan 0.000 0.516 93 V N 3.288 123.175 119.914 -0.044 0.000 2.439 93 V HA -0.271 3.848 4.120 -0.000 0.000 0.253 93 V C 2.077 178.183 176.094 0.020 0.000 1.074 93 V CA 1.730 64.019 62.300 -0.019 0.000 1.076 93 V CB -0.348 31.573 31.823 0.164 0.000 0.664 93 V HN 0.490 nan 8.190 nan 0.000 0.461 94 E N -0.047 120.168 120.200 0.024 0.000 2.153 94 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 94 E C 1.965 178.572 176.600 0.011 0.000 0.988 94 E CA 1.265 57.681 56.400 0.027 0.000 0.811 94 E CB -0.358 29.353 29.700 0.018 0.000 0.746 94 E HN 0.609 nan 8.360 nan 0.000 0.466 95 A N -0.280 122.533 122.820 -0.012 0.000 2.307 95 A HA 0.223 4.543 4.320 -0.000 0.000 0.218 95 A C 0.389 177.965 177.584 -0.014 0.000 1.228 95 A CA -0.167 51.860 52.037 -0.017 0.000 0.857 95 A CB -0.123 18.856 19.000 -0.036 0.000 0.897 95 A HN 0.090 nan 8.150 nan 0.000 0.495 96 L N -0.067 121.147 121.223 -0.014 0.000 2.421 96 L HA 0.239 4.579 4.340 -0.000 0.000 0.263 96 L C 0.435 177.335 176.870 0.049 0.000 1.122 96 L CA -0.890 53.951 54.840 0.003 0.000 0.804 96 L CB 0.478 42.469 42.059 -0.112 0.000 1.150 96 L HN 0.191 nan 8.230 nan 0.000 0.457 97 N N 1.597 120.341 118.700 0.074 0.000 2.406 97 N HA 0.017 4.757 4.740 -0.000 0.000 0.269 97 N C 0.902 176.484 175.510 0.120 0.000 1.210 97 N CA 0.350 53.450 53.050 0.083 0.000 0.966 97 N CB 0.393 38.927 38.487 0.079 0.000 1.293 97 N HN 0.452 nan 8.380 nan 0.000 0.491 98 R N 1.598 122.182 120.500 0.139 0.000 2.241 98 R HA -0.084 4.255 4.340 -0.000 0.000 0.224 98 R C 0.229 176.631 176.300 0.171 0.000 1.101 98 R CA 0.953 57.180 56.100 0.213 0.000 0.995 98 R CB 0.247 30.650 30.300 0.172 0.000 0.870 98 R HN 0.533 nan 8.270 nan 0.000 0.463 99 D N -0.045 120.424 120.400 0.116 0.000 2.317 99 D HA -0.048 4.592 4.640 -0.000 0.000 0.211 99 D C 1.203 177.561 176.300 0.096 0.000 0.966 99 D CA 0.765 54.818 54.000 0.088 0.000 0.876 99 D CB 0.201 41.041 40.800 0.067 0.000 0.927 99 D HN 0.065 nan 8.370 nan 0.000 0.519 100 R N 0.075 120.646 120.500 0.118 0.000 2.507 100 R HA 0.125 4.464 4.340 -0.000 0.000 0.298 100 R C -0.201 176.193 176.300 0.156 0.000 0.999 100 R CA -0.374 55.789 56.100 0.105 0.000 1.082 100 R CB 0.159 30.498 30.300 0.066 0.000 1.246 100 R HN 0.025 nan 8.270 nan 0.000 0.553 101 F N 0.747 120.689 119.950 -0.014 0.000 2.427 101 F HA 0.670 5.197 4.527 -0.000 0.000 0.348 101 F C -0.142 175.655 175.800 -0.005 0.000 1.125 101 F CA -1.702 56.282 58.000 -0.027 0.000 0.989 101 F CB 1.283 40.275 39.000 -0.013 0.000 1.165 101 F HN 0.013 nan 8.300 nan 0.000 0.442 102 G N 3.851 112.625 108.800 -0.044 0.000 2.714 102 G HA2 0.672 4.631 3.960 -0.000 0.000 0.292 102 G HA3 0.672 4.631 3.960 -0.000 0.000 0.292 102 G C -2.149 172.616 174.900 -0.224 0.000 1.308 102 G CA -0.910 44.077 45.100 -0.188 0.000 0.964 102 G HN 0.539 nan 8.290 nan 0.000 0.484 103 V N 0.518 120.332 119.914 -0.167 0.000 2.686 103 V HA 0.515 4.635 4.120 -0.000 0.000 0.306 103 V C -0.736 175.326 176.094 -0.053 0.000 1.065 103 V CA -0.469 61.760 62.300 -0.118 0.000 0.894 103 V CB 1.717 33.456 31.823 -0.141 0.000 1.004 103 V HN 0.621 nan 8.190 nan 0.000 0.424 104 I N 4.794 125.350 120.570 -0.023 0.000 2.468 104 I HA 0.511 4.681 4.170 -0.000 0.000 0.285 104 I C -1.000 175.123 176.117 0.010 0.000 1.039 104 I CA -0.794 60.503 61.300 -0.004 0.000 1.074 104 I CB 2.213 40.214 38.000 0.001 0.000 1.228 104 I HN 0.259 nan 8.210 nan 0.000 0.436 105 V N 5.648 125.574 119.914 0.021 0.000 2.349 105 V HA 0.542 4.662 4.120 -0.000 0.000 0.284 105 V C 0.525 176.658 176.094 0.065 0.000 1.014 105 V CA -0.568 61.756 62.300 0.040 0.000 0.826 105 V CB 1.436 33.277 31.823 0.031 0.000 1.009 105 V HN 0.823 nan 8.190 nan 0.000 0.431 106 A N 3.808 126.667 122.820 0.066 0.000 2.351 106 A HA 0.806 5.126 4.320 -0.000 0.000 0.257 106 A C 0.258 177.909 177.584 0.111 0.000 1.087 106 A CA -0.071 52.010 52.037 0.073 0.000 0.798 106 A CB 1.025 20.059 19.000 0.056 0.000 1.033 106 A HN 0.915 nan 8.150 nan 0.000 0.488 107 S N -0.263 115.499 115.700 0.105 0.000 2.543 107 S HA 0.528 4.998 4.470 -0.000 0.000 0.273 107 S C 0.768 175.401 174.600 0.055 0.000 1.152 107 S CA 0.089 58.357 58.200 0.113 0.000 0.910 107 S CB 1.177 64.487 63.200 0.183 0.000 1.105 107 S HN 1.393 nan 8.310 nan 0.000 0.465 108 G N 2.335 111.166 108.800 0.051 0.000 2.426 108 G HA2 0.146 4.105 3.960 -0.000 0.000 0.214 108 G HA3 0.146 4.105 3.960 -0.000 0.000 0.214 108 G C 0.851 175.761 174.900 0.017 0.000 1.156 108 G CA 0.643 45.769 45.100 0.043 0.000 0.802 108 G HN 0.714 nan 8.290 nan 0.000 0.534 109 I N -0.649 119.910 120.570 -0.017 0.000 4.592 109 I HA 0.280 4.450 4.170 -0.000 0.000 0.329 109 I C 1.625 177.616 176.117 -0.210 0.000 1.309 109 I CA 0.195 61.461 61.300 -0.057 0.000 1.243 109 I CB 0.230 38.236 38.000 0.010 0.000 1.241 109 I HN 0.291 nan 8.210 nan 0.000 0.434 110 G N 1.953 110.516 108.800 -0.396 0.000 2.564 110 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.273 110 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.273 110 G C 0.559 174.881 174.900 -0.963 0.000 1.242 110 G CA -0.087 44.364 45.100 -1.081 0.000 0.951 110 G HN 0.553 nan 8.290 nan 0.000 0.564 111 G N -0.862 107.450 108.800 -0.812 0.000 3.458 111 G HA2 0.482 4.442 3.960 -0.000 0.000 0.256 111 G HA3 0.482 4.442 3.960 -0.000 0.000 0.256 111 G C 1.077 175.895 174.900 -0.138 0.000 0.938 111 G CA 0.631 45.566 45.100 -0.274 0.000 1.890 111 G HN 0.937 nan 8.290 nan 0.000 0.639 112 I N 0.717 121.214 120.570 -0.121 0.000 2.394 112 I HA -0.043 4.127 4.170 -0.000 0.000 0.251 112 I C 2.445 178.544 176.117 -0.030 0.000 1.136 112 I CA 1.193 62.462 61.300 -0.053 0.000 1.425 112 I CB 0.044 38.059 38.000 0.024 0.000 1.079 112 I HN 0.360 nan 8.210 nan 0.000 0.425 113 K N 0.237 120.628 120.400 -0.014 0.000 2.032 113 K HA -0.287 4.033 4.320 -0.000 0.000 0.209 113 K C 2.152 178.738 176.600 -0.024 0.000 1.048 113 K CA 1.926 58.208 56.287 -0.010 0.000 0.927 113 K CB -0.173 32.329 32.500 0.004 0.000 0.712 113 K HN 0.314 nan 8.250 nan 0.000 0.441 114 E N 0.937 121.124 120.200 -0.020 0.000 2.077 114 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 114 E C 1.812 178.385 176.600 -0.045 0.000 0.989 114 E CA 1.463 57.851 56.400 -0.020 0.000 0.800 114 E CB -0.169 29.532 29.700 0.002 0.000 0.746 114 E HN 0.386 nan 8.360 nan 0.000 0.452 115 I N 0.610 121.139 120.570 -0.068 0.000 2.099 115 I HA -0.282 3.888 4.170 -0.000 0.000 0.239 115 I C 2.627 178.664 176.117 -0.133 0.000 1.066 115 I CA 1.797 63.036 61.300 -0.102 0.000 1.324 115 I CB -0.423 37.499 38.000 -0.131 0.000 1.037 115 I HN 0.295 nan 8.210 nan 0.000 0.401 116 E N 1.086 121.193 120.200 -0.155 0.000 2.065 116 E HA -0.309 4.041 4.350 -0.000 0.000 0.201 116 E C 1.737 178.279 176.600 -0.096 0.000 1.016 116 E CA 2.145 58.444 56.400 -0.169 0.000 0.818 116 E CB -0.002 29.628 29.700 -0.116 0.000 0.749 116 E HN 0.416 nan 8.360 nan 0.000 0.453 117 D N 0.063 120.427 120.400 -0.060 0.000 2.097 117 D HA -0.166 4.474 4.640 -0.000 0.000 0.195 117 D C 2.062 178.341 176.300 -0.036 0.000 0.989 117 D CA 0.977 54.956 54.000 -0.035 0.000 0.827 117 D CB -0.289 40.499 40.800 -0.020 0.000 0.966 117 D HN 0.235 nan 8.370 nan 0.000 0.456 118 Q N 0.219 119.993 119.800 -0.043 0.000 2.311 118 Q HA 0.001 4.340 4.340 -0.000 0.000 0.203 118 Q C 2.420 178.395 176.000 -0.041 0.000 0.954 118 Q CA 0.171 55.952 55.803 -0.037 0.000 0.885 118 Q CB -0.110 28.607 28.738 -0.035 0.000 0.963 118 Q HN 0.222 nan 8.270 nan 0.000 0.471 119 V N 0.946 120.823 119.914 -0.062 0.000 2.358 119 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 119 V C 2.312 178.392 176.094 -0.024 0.000 1.047 119 V CA 1.268 63.532 62.300 -0.061 0.000 1.035 119 V CB -0.496 31.258 31.823 -0.116 0.000 0.658 119 V HN 0.237 nan 8.190 nan 0.000 0.452 120 L N -0.207 121.001 121.223 -0.026 0.000 2.056 120 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 120 L C 2.703 179.589 176.870 0.026 0.000 1.078 120 L CA 1.819 56.664 54.840 0.009 0.000 0.749 120 L CB -0.629 41.429 42.059 -0.001 0.000 0.901 120 L HN 0.263 nan 8.230 nan 0.000 0.433 121 R N 0.560 121.062 120.500 0.002 0.000 2.120 121 R HA -0.202 4.138 4.340 -0.000 0.000 0.234 121 R C 2.321 178.615 176.300 -0.011 0.000 1.123 121 R CA 1.470 57.568 56.100 -0.004 0.000 0.975 121 R CB -0.270 30.023 30.300 -0.011 0.000 0.866 121 R HN 0.277 nan 8.270 nan 0.000 0.446 122 L N 0.255 121.474 121.223 -0.007 0.000 2.093 122 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 122 L C 2.148 179.008 176.870 -0.016 0.000 1.085 122 L CA 2.133 56.964 54.840 -0.014 0.000 0.755 122 L CB -0.571 41.482 42.059 -0.010 0.000 0.904 122 L HN 0.256 nan 8.230 nan 0.000 0.435 123 H N -0.134 118.916 119.070 -0.032 0.000 2.395 123 H HA -0.110 4.446 4.556 -0.000 0.000 0.299 123 H C 2.115 177.431 175.328 -0.021 0.000 1.070 123 H CA 1.831 57.862 56.048 -0.027 0.000 1.356 123 H CB 0.096 29.841 29.762 -0.029 0.000 1.401 123 H HN 0.652 nan 8.280 nan 0.000 0.524 124 E N 0.126 120.296 120.200 -0.049 0.000 2.216 124 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 124 E C 0.976 177.512 176.600 -0.106 0.000 0.988 124 E CA 0.950 57.306 56.400 -0.073 0.000 0.834 124 E CB 0.124 29.830 29.700 0.010 0.000 0.772 124 E HN 0.413 nan 8.360 nan 0.000 0.479 125 K N 0.418 120.765 120.400 -0.089 0.000 2.483 125 K HA 0.253 4.573 4.320 -0.000 0.000 0.206 125 K C 0.164 176.722 176.600 -0.070 0.000 1.086 125 K CA 0.268 56.513 56.287 -0.070 0.000 1.052 125 K CB 1.781 34.257 32.500 -0.041 0.000 0.904 125 K HN 0.220 nan 8.250 nan 0.000 0.557 126 G N 2.346 111.093 108.800 -0.089 0.000 2.814 126 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.677 126 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.677 126 G C -2.290 172.583 174.900 -0.045 0.000 1.429 126 G CA -0.895 44.164 45.100 -0.069 0.000 0.868 126 G HN -0.124 nan 8.290 nan 0.000 0.553 127 P HA -0.092 nan 4.420 nan 0.000 0.216 127 P C 1.875 179.160 177.300 -0.024 0.000 1.150 127 P CA 1.834 64.917 63.100 -0.027 0.000 0.843 127 P CB 0.007 31.692 31.700 -0.024 0.000 0.787 128 K N -0.799 119.587 120.400 -0.024 0.000 2.147 128 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 128 K C 2.040 178.628 176.600 -0.020 0.000 1.049 128 K CA 1.019 57.293 56.287 -0.021 0.000 0.936 128 K CB -0.249 32.239 32.500 -0.020 0.000 0.722 128 K HN -0.059 nan 8.250 nan 0.000 0.446 129 R N 1.015 121.502 120.500 -0.023 0.000 2.307 129 R HA 0.041 4.380 4.340 -0.000 0.000 0.199 129 R C 0.015 176.303 176.300 -0.020 0.000 1.000 129 R CA 0.146 56.234 56.100 -0.021 0.000 1.023 129 R CB -0.253 30.032 30.300 -0.024 0.000 0.908 129 R HN -0.100 nan 8.270 nan 0.000 0.473 130 V N 1.930 121.832 119.914 -0.020 0.000 2.572 130 V HA 0.021 4.141 4.120 -0.000 0.000 0.291 130 V C 0.670 176.753 176.094 -0.018 0.000 1.039 130 V CA -0.187 62.102 62.300 -0.020 0.000 1.055 130 V CB 0.962 32.773 31.823 -0.021 0.000 0.969 130 V HN 0.170 nan 8.190 nan 0.000 0.482 131 K N 5.801 126.191 120.400 -0.017 0.000 2.382 131 K HA 0.140 4.460 4.320 -0.000 0.000 0.275 131 K C -1.525 175.065 176.600 -0.016 0.000 1.009 131 K CA -1.121 55.156 56.287 -0.016 0.000 0.970 131 K CB 0.698 33.188 32.500 -0.015 0.000 0.934 131 K HN 0.399 nan 8.250 nan 0.000 0.479 132 P HA -0.153 nan 4.420 nan 0.000 0.218 132 P C 0.693 177.984 177.300 -0.015 0.000 1.148 132 P CA 1.232 64.323 63.100 -0.016 0.000 0.822 132 P CB 0.246 31.936 31.700 -0.017 0.000 0.784 133 M N -1.887 117.702 119.600 -0.018 0.000 2.563 133 M HA 0.070 4.550 4.480 -0.000 0.000 0.231 133 M C 1.408 177.706 176.300 -0.004 0.000 1.136 133 M CA 0.893 56.182 55.300 -0.018 0.000 1.026 133 M CB -1.568 31.013 32.600 -0.033 0.000 1.597 133 M HN -0.099 nan 8.290 nan 0.000 0.495 134 T N 1.248 115.798 114.554 -0.006 0.000 2.622 134 T HA -0.104 4.245 4.350 -0.000 0.000 0.266 134 T C 1.947 176.651 174.700 0.006 0.000 1.047 134 T CA 1.338 63.436 62.100 -0.004 0.000 1.159 134 T CB -0.147 68.713 68.868 -0.013 0.000 0.863 134 T HN 0.360 nan 8.240 nan 0.000 0.422 135 L N 0.615 121.841 121.223 0.005 0.000 2.072 135 L HA -0.009 4.331 4.340 -0.000 0.000 0.205 135 L C -0.554 176.338 176.870 0.036 0.000 1.079 135 L CA 1.083 55.930 54.840 0.012 0.000 0.752 135 L CB -1.797 40.265 42.059 0.004 0.000 0.906 135 L HN 0.185 nan 8.230 nan 0.000 0.436 136 P HA -0.180 nan 4.420 nan 0.000 0.218 136 P C 1.295 178.654 177.300 0.097 0.000 1.146 136 P CA 1.441 64.574 63.100 0.055 0.000 0.813 136 P CB 0.026 31.742 31.700 0.027 0.000 0.778 137 K N -1.577 118.878 120.400 0.092 0.000 2.284 137 K HA 0.203 4.523 4.320 -0.000 0.000 0.198 137 K C 1.885 178.611 176.600 0.210 0.000 1.048 137 K CA 0.937 57.312 56.287 0.147 0.000 0.987 137 K CB -0.013 32.542 32.500 0.092 0.000 0.800 137 K HN 0.047 nan 8.250 nan 0.000 0.486 138 A N 1.199 124.088 122.820 0.114 0.000 1.973 138 A HA 0.176 4.496 4.320 -0.000 0.000 0.210 138 A C 0.929 178.499 177.584 -0.024 0.000 1.200 138 A CA -0.124 51.932 52.037 0.033 0.000 0.707 138 A CB -0.093 18.898 19.000 -0.015 0.000 0.862 138 A HN 0.067 nan 8.150 nan 0.000 0.461 139 L N 0.770 122.014 121.223 0.035 0.000 2.559 139 L HA 0.068 4.408 4.340 -0.000 0.000 0.274 139 L C -1.631 175.272 176.870 0.054 0.000 1.205 139 L CA -1.140 53.711 54.840 0.019 0.000 0.907 139 L CB 0.452 42.535 42.059 0.040 0.000 1.153 139 L HN 0.125 nan 8.230 nan 0.000 0.490 140 P HA -0.154 nan 4.420 nan 0.000 0.223 140 P C 0.926 178.331 177.300 0.175 0.000 1.144 140 P CA 1.016 64.106 63.100 -0.016 0.000 0.783 140 P CB -0.033 31.639 31.700 -0.047 0.000 0.771 141 N N -1.425 117.356 118.700 0.134 0.000 2.416 141 N HA -0.059 4.680 4.740 -0.000 0.000 0.177 141 N C 1.313 176.901 175.510 0.132 0.000 1.036 141 N CA 0.922 54.042 53.050 0.116 0.000 0.901 141 N CB -0.677 37.849 38.487 0.066 0.000 0.976 141 N HN 0.061 nan 8.380 nan 0.000 0.444 142 M N 1.245 120.958 119.600 0.187 0.000 2.213 142 M HA 0.062 4.542 4.480 -0.000 0.000 0.263 142 M C 2.348 178.670 176.300 0.036 0.000 1.062 142 M CA 0.950 56.328 55.300 0.131 0.000 1.105 142 M CB -1.298 31.408 32.600 0.175 0.000 1.385 142 M HN 0.294 nan 8.290 nan 0.000 0.417 143 A N 0.769 123.562 122.820 -0.045 0.000 1.908 143 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 143 A C 2.460 179.981 177.584 -0.104 0.000 1.181 143 A CA 2.530 54.407 52.037 -0.268 0.000 0.627 143 A CB -0.955 17.750 19.000 -0.493 0.000 0.818 143 A HN 0.612 nan 8.150 nan 0.000 0.445 144 S N -0.480 115.210 115.700 -0.017 0.000 2.382 144 S HA 0.007 4.477 4.470 -0.000 0.000 0.228 144 S C 2.008 176.600 174.600 -0.013 0.000 1.027 144 S CA 1.430 59.625 58.200 -0.008 0.000 0.991 144 S CB -1.087 62.120 63.200 0.011 0.000 0.823 144 S HN 0.684 nan 8.310 nan 0.000 0.469 145 G N 2.068 110.868 108.800 0.000 0.000 2.403 145 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.216 145 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.216 145 G C 1.517 176.422 174.900 0.007 0.000 1.154 145 G CA 0.639 45.742 45.100 0.006 0.000 0.784 145 G HN 0.532 nan 8.290 nan 0.000 0.538 146 N N 0.560 119.259 118.700 -0.002 0.000 2.142 146 N HA -0.094 4.645 4.740 -0.000 0.000 0.186 146 N C 2.335 177.815 175.510 -0.050 0.000 1.023 146 N CA 1.067 54.111 53.050 -0.011 0.000 0.852 146 N CB -0.487 37.935 38.487 -0.109 0.000 0.998 146 N HN 0.183 nan 8.380 nan 0.000 0.424 147 V N 1.698 121.592 119.914 -0.033 0.000 2.343 147 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 147 V C 2.451 178.610 176.094 0.108 0.000 1.051 147 V CA 1.737 64.079 62.300 0.070 0.000 1.036 147 V CB -0.949 30.927 31.823 0.089 0.000 0.654 147 V HN 0.281 nan 8.190 nan 0.000 0.451 148 A N -0.689 122.140 122.820 0.015 0.000 1.902 148 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 148 A C 2.268 179.844 177.584 -0.013 0.000 1.181 148 A CA 2.201 54.218 52.037 -0.033 0.000 0.623 148 A CB -0.484 18.474 19.000 -0.070 0.000 0.818 148 A HN 0.470 nan 8.150 nan 0.000 0.443 149 M N -1.502 118.088 119.600 -0.017 0.000 2.080 149 M HA -0.182 4.297 4.480 -0.000 0.000 0.260 149 M C 2.444 178.698 176.300 -0.077 0.000 1.068 149 M CA 1.962 57.250 55.300 -0.021 0.000 1.109 149 M CB -0.321 32.284 32.600 0.010 0.000 1.342 149 M HN 0.495 nan 8.290 nan 0.000 0.405 150 R N -0.082 120.312 120.500 -0.176 0.000 2.091 150 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 150 R C 1.184 177.125 176.300 -0.599 0.000 1.136 150 R CA 1.747 57.567 56.100 -0.467 0.000 0.959 150 R CB -0.076 29.761 30.300 -0.772 0.000 0.856 150 R HN 0.298 nan 8.270 nan 0.000 0.437 151 F N -0.756 119.208 119.950 0.024 0.000 2.664 151 F HA 0.334 4.861 4.527 -0.000 0.000 0.303 151 F C 1.223 177.110 175.800 0.145 0.000 1.092 151 F CA 0.244 58.308 58.000 0.107 0.000 1.305 151 F CB 1.046 40.170 39.000 0.206 0.000 1.054 151 F HN 0.210 nan 8.300 nan 0.000 0.565 152 G N 1.507 110.395 108.800 0.148 0.000 2.305 152 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.287 152 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.287 152 G C 0.232 175.201 174.900 0.115 0.000 1.036 152 G CA 0.097 45.271 45.100 0.123 0.000 0.887 152 G HN 0.645 nan 8.290 nan 0.000 0.505 153 A N -0.063 122.715 122.820 -0.070 0.000 2.350 153 A HA 0.605 4.925 4.320 -0.000 0.000 0.293 153 A C 1.087 178.572 177.584 -0.164 0.000 1.231 153 A CA -0.141 51.669 52.037 -0.379 0.000 0.883 153 A CB 0.191 18.618 19.000 -0.956 0.000 1.133 153 A HN 0.337 nan 8.150 nan 0.000 0.533 154 N N 2.394 121.065 118.700 -0.049 0.000 2.236 154 N HA 0.068 4.808 4.740 -0.000 0.000 0.196 154 N C 1.056 176.559 175.510 -0.012 0.000 1.114 154 N CA 0.697 53.739 53.050 -0.013 0.000 0.859 154 N CB 0.805 39.309 38.487 0.029 0.000 0.982 154 N HN 0.724 nan 8.380 nan 0.000 0.493 155 G N 0.335 109.117 108.800 -0.030 0.000 2.624 155 G HA2 0.227 4.187 3.960 -0.000 0.000 0.217 155 G HA3 0.227 4.187 3.960 -0.000 0.000 0.217 155 G C -0.028 174.852 174.900 -0.033 0.000 1.506 155 G CA -0.310 44.786 45.100 -0.006 0.000 1.072 155 G HN -0.033 nan 8.290 nan 0.000 0.568 156 V N -0.449 119.451 119.914 -0.022 0.000 2.617 156 V HA 0.275 4.395 4.120 -0.000 0.000 0.304 156 V C 0.280 176.341 176.094 -0.055 0.000 1.040 156 V CA -0.019 62.262 62.300 -0.032 0.000 1.149 156 V CB 0.396 32.206 31.823 -0.020 0.000 0.914 156 V HN 0.670 nan 8.190 nan 0.000 0.487 157 C N 7.708 126.981 119.300 -0.046 0.000 2.505 157 C HA 0.767 5.227 4.460 -0.000 0.000 0.342 157 C C -0.398 174.577 174.990 -0.025 0.000 1.121 157 C CA -0.763 58.228 59.018 -0.046 0.000 1.306 157 C CB 0.367 28.076 27.740 -0.051 0.000 1.897 157 C HN 1.117 nan 8.230 nan 0.000 0.446 158 K N 3.289 123.679 120.400 -0.017 0.000 2.571 158 K HA 0.768 5.088 4.320 -0.000 0.000 0.289 158 K C -1.455 175.151 176.600 0.011 0.000 1.028 158 K CA -0.417 55.868 56.287 -0.003 0.000 0.895 158 K CB 1.475 33.971 32.500 -0.007 0.000 1.534 158 K HN 0.497 nan 8.250 nan 0.000 0.421 159 S N 0.153 115.866 115.700 0.022 0.000 2.566 159 S HA 0.719 5.189 4.470 -0.000 0.000 0.298 159 S C -0.945 173.671 174.600 0.027 0.000 1.083 159 S CA -0.902 57.319 58.200 0.035 0.000 0.978 159 S CB 0.681 63.917 63.200 0.059 0.000 1.073 159 S HN 0.499 nan 8.310 nan 0.000 0.491 160 I N 3.151 123.738 120.570 0.028 0.000 2.689 160 I HA 0.473 4.643 4.170 -0.000 0.000 0.299 160 I C -0.786 175.337 176.117 0.010 0.000 1.059 160 I CA -0.836 60.474 61.300 0.017 0.000 1.055 160 I CB 2.284 40.296 38.000 0.019 0.000 1.243 160 I HN 0.501 nan 8.210 nan 0.000 0.425 161 N N 3.019 121.711 118.700 -0.013 0.000 2.540 161 N HA 0.316 5.056 4.740 -0.000 0.000 0.275 161 N C -0.744 174.687 175.510 -0.132 0.000 1.053 161 N CA -0.306 52.723 53.050 -0.036 0.000 0.876 161 N CB 1.496 39.975 38.487 -0.013 0.000 1.284 161 N HN 0.691 nan 8.380 nan 0.000 0.518 162 T N 1.035 115.474 114.554 -0.192 0.000 3.448 162 T HA 0.609 4.959 4.350 -0.000 0.000 0.271 162 T C 0.835 175.400 174.700 -0.225 0.000 1.002 162 T CA 0.206 61.993 62.100 -0.522 0.000 0.995 162 T CB 0.108 68.709 68.868 -0.446 0.000 1.153 162 T HN 0.620 nan 8.240 nan 0.000 0.510 163 A N 0.884 123.678 122.820 -0.043 0.000 5.318 163 A HA -0.327 3.992 4.320 -0.000 0.000 0.329 163 A C 2.008 179.674 177.584 0.136 0.000 1.789 163 A CA 1.521 53.629 52.037 0.117 0.000 0.711 163 A CB -1.996 17.167 19.000 0.271 0.000 1.398 163 A HN 1.055 nan 8.150 nan 0.000 0.392 164 C N -0.089 119.348 119.300 0.229 0.000 2.430 164 C HA 0.204 4.664 4.460 -0.000 0.000 0.288 164 C C 2.728 177.828 174.990 0.183 0.000 1.448 164 C CA 1.240 60.427 59.018 0.281 0.000 1.784 164 C CB -1.490 26.538 27.740 0.480 0.000 1.776 164 C HN 0.665 nan 8.230 nan 0.000 0.547 165 S N 0.412 116.172 115.700 0.100 0.000 2.535 165 S HA -0.004 4.465 4.470 -0.000 0.000 0.214 165 S C 1.841 176.471 174.600 0.050 0.000 0.980 165 S CA 0.198 58.431 58.200 0.056 0.000 0.907 165 S CB -0.077 63.164 63.200 0.069 0.000 0.790 165 S HN 0.656 nan 8.310 nan 0.000 0.510 166 S N 2.223 117.946 115.700 0.038 0.000 2.381 166 S HA -0.175 4.295 4.470 -0.000 0.000 0.230 166 S C 2.082 176.705 174.600 0.037 0.000 1.052 166 S CA 1.766 59.982 58.200 0.027 0.000 1.068 166 S CB -0.413 62.808 63.200 0.035 0.000 0.918 166 S HN 0.521 nan 8.310 nan 0.000 0.448 167 S N 1.019 116.749 115.700 0.050 0.000 2.387 167 S HA -0.007 4.463 4.470 -0.000 0.000 0.226 167 S C 1.738 176.351 174.600 0.022 0.000 1.026 167 S CA 0.580 58.806 58.200 0.042 0.000 0.972 167 S CB -0.418 62.817 63.200 0.058 0.000 0.814 167 S HN 0.516 nan 8.310 nan 0.000 0.477 168 N N 0.887 119.605 118.700 0.031 0.000 2.058 168 N HA -0.131 4.608 4.740 -0.000 0.000 0.191 168 N C 1.118 176.599 175.510 -0.048 0.000 1.037 168 N CA 1.323 54.382 53.050 0.014 0.000 0.848 168 N CB -0.097 38.420 38.487 0.051 0.000 1.021 168 N HN 0.336 nan 8.380 nan 0.000 0.422 169 D N 0.772 121.188 120.400 0.027 0.000 2.144 169 D HA -0.108 4.532 4.640 -0.000 0.000 0.199 169 D C 1.840 178.088 176.300 -0.087 0.000 0.984 169 D CA 0.652 54.670 54.000 0.030 0.000 0.834 169 D CB -0.137 40.744 40.800 0.134 0.000 0.955 169 D HN 0.279 nan 8.370 nan 0.000 0.465 170 A N 1.060 123.854 122.820 -0.044 0.000 1.877 170 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 170 A C 2.359 179.899 177.584 -0.073 0.000 1.186 170 A CA 0.930 52.945 52.037 -0.036 0.000 0.620 170 A CB -0.708 18.292 19.000 -0.000 0.000 0.822 170 A HN 0.170 nan 8.150 nan 0.000 0.443 171 I N -0.325 120.188 120.570 -0.095 0.000 2.315 171 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 171 I C 2.666 178.662 176.117 -0.202 0.000 1.117 171 I CA 0.964 62.208 61.300 -0.092 0.000 1.404 171 I CB -0.559 37.410 38.000 -0.051 0.000 1.071 171 I HN 0.399 nan 8.210 nan 0.000 0.419 172 G N 0.316 108.788 108.800 -0.547 0.000 2.418 172 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.217 172 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.217 172 G C 1.261 175.941 174.900 -0.367 0.000 1.158 172 G CA 1.259 45.706 45.100 -1.088 0.000 0.771 172 G HN 0.329 nan 8.290 nan 0.000 0.545 173 D N 0.232 120.495 120.400 -0.229 0.000 2.117 173 D HA 0.056 4.696 4.640 -0.000 0.000 0.197 173 D C 2.743 179.073 176.300 0.051 0.000 0.987 173 D CA 1.305 55.312 54.000 0.010 0.000 0.829 173 D CB -0.145 40.662 40.800 0.012 0.000 0.961 173 D HN 0.272 nan 8.370 nan 0.000 0.460 174 A N -0.259 122.585 122.820 0.040 0.000 1.897 174 A HA -0.090 4.229 4.320 -0.000 0.000 0.215 174 A C 2.004 179.663 177.584 0.124 0.000 1.181 174 A CA 0.931 53.011 52.037 0.071 0.000 0.620 174 A CB -1.029 18.005 19.000 0.056 0.000 0.821 174 A HN 0.400 nan 8.150 nan 0.000 0.443 175 F N 1.240 121.181 119.950 -0.015 0.000 2.043 175 F HA -0.254 4.272 4.527 -0.000 0.000 0.297 175 F C 2.333 178.191 175.800 0.097 0.000 1.118 175 F CA 2.212 60.218 58.000 0.010 0.000 1.202 175 F CB -0.325 38.648 39.000 -0.045 0.000 0.965 175 F HN 0.082 nan 8.300 nan 0.000 0.482 176 R N 0.052 120.469 120.500 -0.137 0.000 2.120 176 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 176 R C 2.608 179.032 176.300 0.207 0.000 1.123 176 R CA 1.243 57.333 56.100 -0.017 0.000 0.975 176 R CB -1.404 29.023 30.300 0.210 0.000 0.866 176 R HN 0.407 nan 8.270 nan 0.000 0.446 177 S N 0.603 116.400 115.700 0.161 0.000 2.383 177 S HA -0.024 4.445 4.470 -0.000 0.000 0.227 177 S C 1.968 176.710 174.600 0.236 0.000 1.026 177 S CA 0.768 59.118 58.200 0.250 0.000 0.981 177 S CB 0.019 63.305 63.200 0.144 0.000 0.818 177 S HN 0.203 nan 8.310 nan 0.000 0.472 178 I N 0.838 121.463 120.570 0.090 0.000 2.400 178 I HA -0.042 4.128 4.170 -0.000 0.000 0.248 178 I C 2.481 178.559 176.117 -0.065 0.000 1.109 178 I CA 0.897 62.213 61.300 0.026 0.000 1.425 178 I CB -0.316 37.696 38.000 0.020 0.000 1.094 178 I HN 0.271 nan 8.210 nan 0.000 0.425 179 K N 1.435 121.720 120.400 -0.192 0.000 2.074 179 K HA -0.198 4.121 4.320 -0.000 0.000 0.209 179 K C 1.414 177.726 176.600 -0.479 0.000 1.048 179 K CA 1.936 57.974 56.287 -0.414 0.000 0.926 179 K CB -0.170 31.871 32.500 -0.765 0.000 0.713 179 K HN 0.181 nan 8.250 nan 0.000 0.444 180 F N 0.226 120.113 119.950 -0.105 0.000 2.664 180 F HA 0.250 4.776 4.527 -0.000 0.000 0.301 180 F C 1.183 176.758 175.800 -0.375 0.000 1.126 180 F CA 0.390 58.301 58.000 -0.147 0.000 1.373 180 F CB 0.718 39.729 39.000 0.018 0.000 1.042 180 F HN 0.307 nan 8.300 nan 0.000 0.535 181 G N -0.178 108.522 108.800 -0.166 0.000 2.160 181 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.251 181 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.251 181 G C 0.708 175.429 174.900 -0.299 0.000 1.008 181 G CA 0.346 45.309 45.100 -0.230 0.000 0.724 181 G HN 0.463 nan 8.290 nan 0.000 0.514 182 F N -0.185 119.796 119.950 0.051 0.000 2.473 182 F HA 0.304 4.831 4.527 -0.000 0.000 0.294 182 F C 1.532 177.347 175.800 0.024 0.000 1.103 182 F CA 0.846 58.869 58.000 0.038 0.000 1.442 182 F CB 0.332 39.356 39.000 0.039 0.000 1.097 182 F HN 0.147 nan 8.300 nan 0.000 0.547 183 Q N -0.233 119.670 119.800 0.170 0.000 2.416 183 Q HA 0.201 4.541 4.340 -0.000 0.000 0.281 183 Q C -0.529 175.485 176.000 0.023 0.000 1.067 183 Q CA -0.304 55.557 55.803 0.096 0.000 0.809 183 Q CB 2.125 30.925 28.738 0.103 0.000 1.418 183 Q HN 0.030 nan 8.270 nan 0.000 0.411 184 D N -0.361 120.016 120.400 -0.038 0.000 2.423 184 D HA 0.163 4.803 4.640 -0.000 0.000 0.212 184 D C 0.043 176.156 176.300 -0.312 0.000 1.060 184 D CA 0.620 54.517 54.000 -0.170 0.000 0.872 184 D CB 1.517 42.179 40.800 -0.229 0.000 1.012 184 D HN 0.119 nan 8.370 nan 0.000 0.503 185 V N 1.929 121.731 119.914 -0.186 0.000 2.733 185 V HA 0.411 4.531 4.120 -0.000 0.000 0.306 185 V C -0.708 175.477 176.094 0.151 0.000 1.084 185 V CA -0.600 61.625 62.300 -0.125 0.000 0.905 185 V CB 2.630 34.276 31.823 -0.296 0.000 1.010 185 V HN -0.059 nan 8.190 nan 0.000 0.424 186 M N 4.998 124.674 119.600 0.126 0.000 2.267 186 M HA 0.521 5.001 4.480 -0.000 0.000 0.289 186 M C -1.083 175.293 176.300 0.126 0.000 1.043 186 M CA -0.391 54.995 55.300 0.144 0.000 0.928 186 M CB 2.227 34.872 32.600 0.075 0.000 1.613 186 M HN 0.451 nan 8.290 nan 0.000 0.450 187 L N 3.131 124.432 121.223 0.129 0.000 2.281 187 L HA 0.607 4.946 4.340 -0.000 0.000 0.285 187 L C -0.514 176.365 176.870 0.015 0.000 1.074 187 L CA -0.492 54.374 54.840 0.043 0.000 0.817 187 L CB 1.122 43.175 42.059 -0.009 0.000 1.168 187 L HN 0.512 nan 8.230 nan 0.000 0.434 188 V N 4.121 124.048 119.914 0.021 0.000 2.851 188 V HA 0.972 5.092 4.120 -0.000 0.000 0.307 188 V C -0.280 175.830 176.094 0.026 0.000 1.129 188 V CA 0.398 62.711 62.300 0.022 0.000 0.932 188 V CB 1.780 33.619 31.823 0.026 0.000 1.024 188 V HN 0.866 nan 8.190 nan 0.000 0.426 189 G N 3.708 112.525 108.800 0.028 0.000 2.393 189 G HA2 0.682 4.642 3.960 -0.000 0.000 0.264 189 G HA3 0.682 4.642 3.960 -0.000 0.000 0.264 189 G C -0.319 174.610 174.900 0.047 0.000 1.221 189 G CA 0.091 45.212 45.100 0.035 0.000 0.912 189 G HN 1.510 nan 8.290 nan 0.000 0.483 190 G N -1.688 107.148 108.800 0.061 0.000 2.658 190 G HA2 0.757 4.717 3.960 -0.000 0.000 0.292 190 G HA3 0.757 4.717 3.960 -0.000 0.000 0.292 190 G C -1.247 173.721 174.900 0.113 0.000 1.320 190 G CA 0.331 45.482 45.100 0.085 0.000 0.933 190 G HN 1.277 nan 8.290 nan 0.000 0.476 191 T N -1.020 113.625 114.554 0.152 0.000 2.982 191 T HA 0.623 4.973 4.350 -0.000 0.000 0.321 191 T C -1.741 173.106 174.700 0.245 0.000 1.229 191 T CA -0.440 61.783 62.100 0.205 0.000 1.044 191 T CB 2.216 71.197 68.868 0.188 0.000 1.184 191 T HN 0.611 nan 8.240 nan 0.000 0.477 192 E N 1.411 121.768 120.200 0.262 0.000 2.366 192 E HA 0.761 5.110 4.350 -0.000 0.000 0.278 192 E C -1.449 175.320 176.600 0.281 0.000 0.923 192 E CA -0.564 55.973 56.400 0.228 0.000 0.761 192 E CB 2.082 31.873 29.700 0.151 0.000 1.231 192 E HN 0.847 nan 8.360 nan 0.000 0.443 193 A N 2.216 125.154 122.820 0.196 0.000 3.307 193 A HA 0.392 4.712 4.320 -0.000 0.000 0.289 193 A C -0.345 177.308 177.584 0.116 0.000 1.138 193 A CA 0.001 52.145 52.037 0.179 0.000 0.860 193 A CB -0.130 18.867 19.000 -0.005 0.000 1.318 193 A HN 0.529 nan 8.150 nan 0.000 0.551 194 S N -0.126 115.655 115.700 0.135 0.000 2.749 194 S HA 0.277 4.747 4.470 -0.000 0.000 0.246 194 S C 0.233 174.922 174.600 0.148 0.000 1.023 194 S CA -0.056 58.221 58.200 0.128 0.000 1.012 194 S CB -0.677 62.611 63.200 0.148 0.000 0.942 194 S HN 0.488 nan 8.310 nan 0.000 0.531 195 I N 4.195 124.862 120.570 0.163 0.000 2.382 195 I HA 0.150 4.320 4.170 -0.000 0.000 0.297 195 I C 0.674 176.935 176.117 0.239 0.000 1.172 195 I CA 0.106 61.533 61.300 0.211 0.000 1.825 195 I CB -0.854 37.262 38.000 0.193 0.000 1.509 195 I HN 0.390 nan 8.210 nan 0.000 0.842 196 T N 0.747 115.347 114.554 0.076 0.000 2.916 196 T HA 0.442 4.791 4.350 -0.000 0.000 0.292 196 T C -2.210 172.081 174.700 -0.682 0.000 1.064 196 T CA -2.028 59.946 62.100 -0.210 0.000 1.011 196 T CB 2.302 71.131 68.868 -0.065 0.000 1.152 196 T HN -0.099 nan 8.240 nan 0.000 0.510 197 P HA -0.045 nan 4.420 nan 0.000 0.215 197 P C 1.205 178.436 177.300 -0.116 0.000 1.157 197 P CA 0.810 63.427 63.100 -0.805 0.000 0.874 197 P CB -0.113 31.344 31.700 -0.406 0.000 0.790 198 F N 0.495 120.347 119.950 -0.163 0.000 2.146 198 F HA -0.104 4.423 4.527 -0.000 0.000 0.298 198 F C 2.157 177.928 175.800 -0.049 0.000 1.096 198 F CA 1.593 59.547 58.000 -0.076 0.000 1.275 198 F CB -0.898 38.051 39.000 -0.085 0.000 1.008 198 F HN -0.153 nan 8.300 nan 0.000 0.480 199 A N 0.528 123.273 122.820 -0.125 0.000 1.929 199 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 199 A C 2.220 179.793 177.584 -0.018 0.000 1.176 199 A CA 1.416 53.364 52.037 -0.148 0.000 0.628 199 A CB -0.884 18.170 19.000 0.091 0.000 0.816 199 A HN 0.399 nan 8.150 nan 0.000 0.444 200 I N 0.014 120.614 120.570 0.050 0.000 2.202 200 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 200 I C 2.919 179.131 176.117 0.158 0.000 1.091 200 I CA 1.483 62.878 61.300 0.159 0.000 1.368 200 I CB -1.452 36.666 38.000 0.196 0.000 1.058 200 I HN 0.363 nan 8.210 nan 0.000 0.410 201 A N 0.866 123.778 122.820 0.153 0.000 1.972 201 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 201 A C 2.459 179.945 177.584 -0.163 0.000 1.169 201 A CA 1.757 53.815 52.037 0.035 0.000 0.635 201 A CB -1.176 17.794 19.000 -0.050 0.000 0.810 201 A HN 0.445 nan 8.150 nan 0.000 0.446 202 G N -1.315 107.274 108.800 -0.353 0.000 2.394 202 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.214 202 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.214 202 G C 1.341 176.008 174.900 -0.389 0.000 1.176 202 G CA 0.948 45.742 45.100 -0.510 0.000 0.786 202 G HN 0.477 nan 8.290 nan 0.000 0.533 203 F N 0.525 120.358 119.950 -0.194 0.000 2.325 203 F HA 0.071 4.597 4.527 -0.000 0.000 0.299 203 F C 2.836 178.542 175.800 -0.156 0.000 1.090 203 F CA 1.158 59.056 58.000 -0.171 0.000 1.392 203 F CB 0.070 38.973 39.000 -0.160 0.000 1.053 203 F HN 0.164 nan 8.300 nan 0.000 0.521 204 Q N 0.633 120.456 119.800 0.039 0.000 2.079 204 Q HA -0.173 4.166 4.340 -0.000 0.000 0.200 204 Q C 2.384 178.368 176.000 -0.027 0.000 0.974 204 Q CA 1.482 57.285 55.803 0.001 0.000 0.840 204 Q CB -0.198 28.557 28.738 0.028 0.000 0.898 204 Q HN 0.368 nan 8.270 nan 0.000 0.430 205 A N 0.792 123.573 122.820 -0.064 0.000 1.972 205 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 205 A C 2.006 179.562 177.584 -0.047 0.000 1.169 205 A CA 0.837 52.831 52.037 -0.071 0.000 0.635 205 A CB -0.626 18.308 19.000 -0.109 0.000 0.810 205 A HN 0.505 nan 8.150 nan 0.000 0.446 206 L N -0.604 120.589 121.223 -0.049 0.000 2.201 206 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 206 L C 1.696 178.597 176.870 0.052 0.000 1.105 206 L CA 1.801 56.639 54.840 -0.004 0.000 0.775 206 L CB -0.306 41.742 42.059 -0.017 0.000 0.913 206 L HN 0.828 nan 8.230 nan 0.000 0.440 207 T N -6.119 108.459 114.554 0.041 0.000 5.496 207 T HA -0.223 4.127 4.350 -0.000 0.000 0.269 207 T C 0.845 175.589 174.700 0.074 0.000 2.195 207 T CA 0.752 62.880 62.100 0.046 0.000 3.732 207 T CB -2.113 66.787 68.868 0.055 0.000 0.680 207 T HN 0.361 nan 8.240 nan 0.000 1.131 208 A N 0.535 123.419 122.820 0.107 0.000 2.066 208 A HA 0.569 4.889 4.320 -0.000 0.000 0.218 208 A C 1.183 178.682 177.584 -0.141 0.000 1.157 208 A CA 0.776 52.911 52.037 0.163 0.000 0.670 208 A CB -0.149 19.071 19.000 0.368 0.000 0.804 208 A HN 0.797 nan 8.150 nan 0.000 0.453 209 L N 0.356 121.412 121.223 -0.278 0.000 2.312 209 L HA 0.289 4.629 4.340 -0.000 0.000 0.281 209 L C 0.736 177.494 176.870 -0.187 0.000 1.070 209 L CA -0.506 54.081 54.840 -0.422 0.000 0.805 209 L CB 1.487 43.333 42.059 -0.356 0.000 1.174 209 L HN 0.176 nan 8.230 nan 0.000 0.434 210 S N 0.612 116.217 115.700 -0.158 0.000 2.549 210 S HA 0.067 4.536 4.470 -0.000 0.000 0.283 210 S C 0.974 175.536 174.600 -0.062 0.000 1.320 210 S CA -0.141 58.016 58.200 -0.071 0.000 1.058 210 S CB 0.575 63.748 63.200 -0.045 0.000 0.882 210 S HN 0.774 nan 8.310 nan 0.000 0.498 211 T N 1.148 115.686 114.554 -0.027 0.000 3.092 211 T HA 0.210 4.560 4.350 -0.000 0.000 0.258 211 T C 0.468 175.182 174.700 0.023 0.000 1.031 211 T CA -0.380 61.719 62.100 -0.003 0.000 0.925 211 T CB -0.399 68.477 68.868 0.012 0.000 1.036 211 T HN 0.537 nan 8.240 nan 0.000 0.544 212 T N 3.000 117.558 114.554 0.008 0.000 2.908 212 T HA 0.066 4.415 4.350 -0.000 0.000 0.301 212 T C 1.132 175.845 174.700 0.021 0.000 1.019 212 T CA 0.192 62.298 62.100 0.011 0.000 1.152 212 T CB 1.047 69.912 68.868 -0.004 0.000 0.966 212 T HN 0.395 nan 8.240 nan 0.000 0.540 213 E N 1.319 121.535 120.200 0.027 0.000 2.107 213 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 213 E C 0.688 177.291 176.600 0.004 0.000 0.982 213 E CA 0.404 56.821 56.400 0.028 0.000 0.809 213 E CB 0.199 29.909 29.700 0.016 0.000 0.756 213 E HN 0.543 nan 8.360 nan 0.000 0.459 214 D N 0.744 121.140 120.400 -0.006 0.000 2.342 214 D HA -0.021 4.619 4.640 -0.000 0.000 0.260 214 D C -1.595 174.691 176.300 -0.023 0.000 1.278 214 D CA -2.005 51.986 54.000 -0.016 0.000 0.910 214 D CB 1.075 41.864 40.800 -0.019 0.000 1.079 214 D HN -0.050 nan 8.370 nan 0.000 0.496 215 P HA -0.130 nan 4.420 nan 0.000 0.221 215 P C 1.191 178.463 177.300 -0.046 0.000 1.145 215 P CA 0.819 63.898 63.100 -0.035 0.000 0.795 215 P CB 0.293 31.972 31.700 -0.036 0.000 0.775 216 T N -1.576 112.949 114.554 -0.047 0.000 3.088 216 T HA 0.046 4.396 4.350 -0.000 0.000 0.259 216 T C 1.576 176.238 174.700 -0.063 0.000 1.122 216 T CA 0.628 62.691 62.100 -0.062 0.000 1.095 216 T CB -0.243 68.593 68.868 -0.053 0.000 0.930 216 T HN -0.069 nan 8.240 nan 0.000 0.508 217 R N -0.610 119.861 120.500 -0.048 0.000 2.531 217 R HA 0.533 4.873 4.340 -0.000 0.000 0.316 217 R C 1.623 177.903 176.300 -0.034 0.000 0.955 217 R CA 0.396 56.471 56.100 -0.043 0.000 1.120 217 R CB 0.026 30.305 30.300 -0.034 0.000 1.361 217 R HN 0.190 nan 8.270 nan 0.000 0.534 218 A N -0.711 122.090 122.820 -0.032 0.000 1.903 218 A HA 0.113 4.432 4.320 -0.000 0.000 0.213 218 A C 0.933 178.508 177.584 -0.015 0.000 1.185 218 A CA 0.876 52.899 52.037 -0.023 0.000 0.628 218 A CB 0.058 19.043 19.000 -0.025 0.000 0.830 218 A HN 0.154 nan 8.150 nan 0.000 0.446 219 S N 0.654 116.343 115.700 -0.018 0.000 2.488 219 S HA 0.545 5.015 4.470 -0.000 0.000 0.310 219 S C -0.282 174.305 174.600 -0.021 0.000 1.093 219 S CA -0.613 57.584 58.200 -0.004 0.000 1.129 219 S CB -0.495 62.710 63.200 0.009 0.000 0.989 219 S HN 0.495 nan 8.310 nan 0.000 0.479 220 I N 2.059 122.620 120.570 -0.015 0.000 2.925 220 I HA 0.473 4.643 4.170 -0.000 0.000 0.296 220 I C -2.957 173.162 176.117 0.003 0.000 1.413 220 I CA -2.632 58.658 61.300 -0.017 0.000 0.932 220 I CB 0.948 38.928 38.000 -0.035 0.000 1.873 220 I HN 0.208 nan 8.210 nan 0.000 0.619 221 P HA 0.127 nan 4.420 nan 0.000 0.262 221 P C -0.124 177.276 177.300 0.168 0.000 1.182 221 P CA 0.709 63.802 63.100 -0.012 0.000 0.761 221 P CB 0.055 31.785 31.700 0.050 0.000 0.795 222 F N -1.210 118.736 119.950 -0.007 0.000 2.590 222 F HA -0.258 4.269 4.527 -0.000 0.000 0.471 222 F C 0.976 176.724 175.800 -0.085 0.000 0.551 222 F CA 0.927 58.911 58.000 -0.027 0.000 1.228 222 F CB -1.617 37.378 39.000 -0.008 0.000 1.862 222 F HN 0.316 nan 8.300 nan 0.000 0.271 223 D N 2.038 122.469 120.400 0.051 0.000 2.443 223 D HA 0.015 4.654 4.640 -0.000 0.000 0.239 223 D C 1.330 177.602 176.300 -0.047 0.000 1.136 223 D CA 0.593 54.567 54.000 -0.044 0.000 0.879 223 D CB 1.090 41.852 40.800 -0.064 0.000 1.195 223 D HN 0.333 nan 8.370 nan 0.000 0.443 224 K N 2.260 122.615 120.400 -0.075 0.000 2.097 224 K HA -0.222 4.098 4.320 -0.000 0.000 0.214 224 K C 0.641 177.225 176.600 -0.026 0.000 1.052 224 K CA 1.813 58.064 56.287 -0.060 0.000 0.932 224 K CB 0.175 32.636 32.500 -0.065 0.000 0.716 224 K HN 0.438 nan 8.250 nan 0.000 0.455 225 D N 0.403 120.786 120.400 -0.029 0.000 2.342 225 D HA -0.022 4.618 4.640 -0.000 0.000 0.221 225 D C -0.193 176.103 176.300 -0.007 0.000 1.101 225 D CA 0.065 54.056 54.000 -0.014 0.000 0.837 225 D CB -0.003 40.785 40.800 -0.020 0.000 0.938 225 D HN 0.376 nan 8.370 nan 0.000 0.508 226 R N 1.473 121.969 120.500 -0.007 0.000 2.640 226 R HA 0.066 4.406 4.340 -0.000 0.000 0.270 226 R C 0.223 176.532 176.300 0.015 0.000 1.024 226 R CA 0.293 56.392 56.100 -0.001 0.000 1.085 226 R CB -0.326 29.968 30.300 -0.009 0.000 0.963 226 R HN 0.034 nan 8.270 nan 0.000 0.426 227 N N 0.880 119.590 118.700 0.017 0.000 2.545 227 N HA 0.259 4.999 4.740 -0.000 0.000 0.283 227 N C -0.534 174.992 175.510 0.026 0.000 1.596 227 N CA -0.347 52.718 53.050 0.024 0.000 0.862 227 N CB 1.291 39.787 38.487 0.015 0.000 1.422 227 N HN 0.945 nan 8.380 nan 0.000 0.489 228 G N 0.713 109.541 108.800 0.047 0.000 2.357 228 G HA2 0.067 4.027 3.960 -0.000 0.000 0.643 228 G HA3 0.067 4.027 3.960 -0.000 0.000 0.643 228 G C -0.876 174.077 174.900 0.088 0.000 1.358 228 G CA -0.821 44.314 45.100 0.059 0.000 0.986 228 G HN 0.328 nan 8.290 nan 0.000 0.620 229 F N -0.571 119.399 119.950 0.034 0.000 2.380 229 F HA 0.861 5.388 4.527 -0.000 0.000 0.319 229 F C 0.089 175.886 175.800 -0.005 0.000 1.113 229 F CA -1.456 56.551 58.000 0.013 0.000 1.056 229 F CB 1.442 40.477 39.000 0.057 0.000 1.289 229 F HN 0.440 nan 8.300 nan 0.000 0.515 230 V N 3.727 123.795 119.914 0.257 0.000 2.409 230 V HA 0.238 4.358 4.120 -0.000 0.000 0.291 230 V C 0.077 176.350 176.094 0.298 0.000 1.020 230 V CA -0.815 61.552 62.300 0.112 0.000 0.848 230 V CB 1.292 33.155 31.823 0.068 0.000 0.990 230 V HN 0.937 nan 8.190 nan 0.000 0.430 231 M N 3.834 123.542 119.600 0.179 0.000 2.228 231 M HA 0.465 4.944 4.480 -0.000 0.000 0.351 231 M C 0.650 177.035 176.300 0.142 0.000 1.233 231 M CA 0.399 55.840 55.300 0.234 0.000 1.129 231 M CB 0.674 33.360 32.600 0.144 0.000 1.604 231 M HN 0.845 nan 8.290 nan 0.000 0.457 232 G N 3.399 112.282 108.800 0.138 0.000 3.075 232 G HA2 0.726 4.686 3.960 -0.000 0.000 0.253 232 G HA3 0.726 4.686 3.960 -0.000 0.000 0.253 232 G C -1.570 173.393 174.900 0.105 0.000 1.353 232 G CA -0.537 44.630 45.100 0.111 0.000 1.051 232 G HN 0.791 nan 8.290 nan 0.000 0.553 233 E N -2.562 117.695 120.200 0.096 0.000 2.388 233 E HA 0.610 4.960 4.350 -0.000 0.000 0.280 233 E C -0.327 176.289 176.600 0.028 0.000 1.019 233 E CA -0.509 55.959 56.400 0.114 0.000 0.806 233 E CB 1.507 31.308 29.700 0.167 0.000 1.246 233 E HN 1.811 nan 8.360 nan 0.000 0.443 234 G N 0.459 109.292 108.800 0.055 0.000 2.320 234 G HA2 0.343 4.302 3.960 -0.000 0.000 0.274 234 G HA3 0.343 4.302 3.960 -0.000 0.000 0.274 234 G C -1.292 173.662 174.900 0.090 0.000 1.324 234 G CA -0.284 44.737 45.100 -0.131 0.000 0.957 234 G HN 1.039 nan 8.290 nan 0.000 0.481 235 S N -1.326 114.410 115.700 0.059 0.000 2.533 235 S HA 0.779 5.248 4.470 -0.000 0.000 0.271 235 S C -0.213 174.422 174.600 0.058 0.000 1.143 235 S CA 0.697 58.966 58.200 0.116 0.000 0.891 235 S CB 1.381 64.702 63.200 0.202 0.000 1.105 235 S HN 2.232 nan 8.310 nan 0.000 0.468 236 G N 3.339 112.159 108.800 0.033 0.000 2.513 236 G HA2 0.677 4.637 3.960 -0.000 0.000 0.317 236 G HA3 0.677 4.637 3.960 -0.000 0.000 0.317 236 G C -1.122 173.785 174.900 0.011 0.000 1.277 236 G CA -0.503 44.582 45.100 -0.025 0.000 0.955 236 G HN 0.542 nan 8.290 nan 0.000 0.484 237 M N 1.241 120.847 119.600 0.010 0.000 2.446 237 M HA 0.561 5.041 4.480 -0.000 0.000 0.294 237 M C -1.361 174.960 176.300 0.035 0.000 1.158 237 M CA -0.714 54.599 55.300 0.022 0.000 0.899 237 M CB 1.991 34.603 32.600 0.020 0.000 1.687 237 M HN 0.282 nan 8.290 nan 0.000 0.455 238 L N 1.726 122.974 121.223 0.042 0.000 2.388 238 L HA 0.719 5.059 4.340 -0.000 0.000 0.264 238 L C -0.526 176.371 176.870 0.045 0.000 0.998 238 L CA -0.701 54.187 54.840 0.080 0.000 0.817 238 L CB 2.115 44.230 42.059 0.094 0.000 1.338 238 L HN 0.378 nan 8.230 nan 0.000 0.414 239 V N 3.652 123.589 119.914 0.038 0.000 2.350 239 V HA 0.437 4.557 4.120 -0.000 0.000 0.276 239 V C -0.023 176.085 176.094 0.023 0.000 1.028 239 V CA -0.441 61.864 62.300 0.007 0.000 0.860 239 V CB 1.120 32.919 31.823 -0.041 0.000 0.990 239 V HN 0.460 nan 8.190 nan 0.000 0.453 240 L N 5.161 126.403 121.223 0.031 0.000 2.325 240 L HA 0.701 5.041 4.340 -0.000 0.000 0.278 240 L C -0.019 176.850 176.870 -0.002 0.000 1.023 240 L CA -0.434 54.426 54.840 0.033 0.000 0.811 240 L CB 1.786 43.885 42.059 0.068 0.000 1.249 240 L HN 0.621 nan 8.230 nan 0.000 0.431 241 E N 0.448 120.640 120.200 -0.014 0.000 2.383 241 E HA 0.299 4.649 4.350 -0.000 0.000 0.275 241 E C -1.069 175.524 176.600 -0.013 0.000 0.918 241 E CA -0.765 55.609 56.400 -0.043 0.000 0.764 241 E CB 2.334 32.034 29.700 -0.001 0.000 1.252 241 E HN 0.651 nan 8.360 nan 0.000 0.449 242 S N 1.014 116.705 115.700 -0.016 0.000 2.568 242 S HA -0.007 4.463 4.470 -0.000 0.000 0.282 242 S C 1.038 175.653 174.600 0.025 0.000 1.338 242 S CA -0.541 57.665 58.200 0.011 0.000 1.045 242 S CB 0.745 63.953 63.200 0.013 0.000 0.873 242 S HN 0.593 nan 8.310 nan 0.000 0.516 243 L N 1.727 122.957 121.223 0.012 0.000 2.013 243 L HA -0.108 4.232 4.340 -0.000 0.000 0.212 243 L C 2.554 179.435 176.870 0.020 0.000 1.073 243 L CA 2.384 57.224 54.840 0.001 0.000 0.753 243 L CB -1.251 40.832 42.059 0.040 0.000 0.890 243 L HN 1.028 nan 8.230 nan 0.000 0.432 244 E N -1.445 118.776 120.200 0.035 0.000 2.065 244 E HA -0.379 3.971 4.350 -0.000 0.000 0.201 244 E C 2.252 178.874 176.600 0.036 0.000 1.016 244 E CA 1.822 58.242 56.400 0.032 0.000 0.818 244 E CB -0.259 29.460 29.700 0.032 0.000 0.749 244 E HN 0.772 nan 8.360 nan 0.000 0.453 245 H N -0.753 118.294 119.070 -0.038 0.000 2.389 245 H HA 0.022 4.578 4.556 -0.000 0.000 0.299 245 H C 1.732 177.021 175.328 -0.065 0.000 1.081 245 H CA 1.581 57.600 56.048 -0.048 0.000 1.345 245 H CB -0.050 29.683 29.762 -0.047 0.000 1.393 245 H HN 0.242 nan 8.280 nan 0.000 0.520 246 A N 0.806 123.654 122.820 0.047 0.000 1.877 246 A HA -0.171 4.148 4.320 -0.000 0.000 0.216 246 A C 2.230 179.759 177.584 -0.092 0.000 1.186 246 A CA 1.758 53.771 52.037 -0.041 0.000 0.620 246 A CB -0.454 18.497 19.000 -0.081 0.000 0.822 246 A HN 0.646 nan 8.150 nan 0.000 0.443 247 E N -0.207 119.957 120.200 -0.061 0.000 2.106 247 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 247 E C 2.006 178.566 176.600 -0.066 0.000 0.984 247 E CA 1.151 57.526 56.400 -0.042 0.000 0.806 247 E CB -0.156 29.546 29.700 0.003 0.000 0.750 247 E HN 0.551 nan 8.360 nan 0.000 0.458 248 K N 0.574 120.918 120.400 -0.095 0.000 2.209 248 K HA -0.160 4.160 4.320 -0.000 0.000 0.204 248 K C 2.121 178.639 176.600 -0.138 0.000 1.048 248 K CA 1.274 57.494 56.287 -0.111 0.000 0.940 248 K CB -0.070 32.351 32.500 -0.133 0.000 0.729 248 K HN 0.122 nan 8.250 nan 0.000 0.451 249 R N -0.796 119.596 120.500 -0.181 0.000 2.362 249 R HA 0.136 4.476 4.340 -0.000 0.000 0.227 249 R C 0.865 177.095 176.300 -0.117 0.000 0.905 249 R CA 0.648 56.647 56.100 -0.169 0.000 1.067 249 R CB 0.347 30.506 30.300 -0.235 0.000 1.078 249 R HN 0.084 nan 8.270 nan 0.000 0.516 250 G N 0.652 109.394 108.800 -0.096 0.000 2.143 250 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.248 250 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.248 250 G C 0.335 175.188 174.900 -0.079 0.000 0.991 250 G CA 0.035 45.093 45.100 -0.072 0.000 0.689 250 G HN 0.699 nan 8.290 nan 0.000 0.522 251 A N -0.216 122.545 122.820 -0.099 0.000 2.466 251 A HA 0.593 4.913 4.320 -0.000 0.000 0.238 251 A C 0.877 178.391 177.584 -0.118 0.000 1.074 251 A CA 1.277 53.246 52.037 -0.113 0.000 0.774 251 A CB 0.295 19.223 19.000 -0.120 0.000 1.015 251 A HN 0.866 nan 8.150 nan 0.000 0.498 252 T N 2.628 117.101 114.554 -0.136 0.000 2.743 252 T HA 0.413 4.763 4.350 -0.000 0.000 0.293 252 T C 0.122 174.697 174.700 -0.207 0.000 0.945 252 T CA 0.256 62.273 62.100 -0.139 0.000 1.030 252 T CB -0.084 68.702 68.868 -0.137 0.000 0.912 252 T HN 0.388 nan 8.240 nan 0.000 0.483 253 I N 4.378 124.771 120.570 -0.295 0.000 2.371 253 I HA 0.108 4.278 4.170 -0.000 0.000 0.290 253 I C 0.530 176.413 176.117 -0.390 0.000 1.028 253 I CA -0.450 60.527 61.300 -0.538 0.000 1.345 253 I CB 1.270 38.526 38.000 -1.239 0.000 1.407 253 I HN 0.493 nan 8.210 nan 0.000 0.501 254 L N 6.215 127.298 121.223 -0.235 0.000 2.354 254 L HA 0.414 4.753 4.340 -0.000 0.000 0.212 254 L C 0.717 177.594 176.870 0.012 0.000 1.091 254 L CA 0.695 55.499 54.840 -0.060 0.000 0.828 254 L CB -0.453 41.623 42.059 0.029 0.000 0.973 254 L HN 0.796 nan 8.230 nan 0.000 0.461 255 A N -1.341 121.457 122.820 -0.036 0.000 2.438 255 A HA 0.603 4.923 4.320 -0.000 0.000 0.301 255 A C -1.430 176.185 177.584 0.051 0.000 1.101 255 A CA -0.545 51.537 52.037 0.075 0.000 0.621 255 A CB 0.868 19.924 19.000 0.093 0.000 1.350 255 A HN -0.050 nan 8.150 nan 0.000 0.496 256 E N 0.063 120.356 120.200 0.155 0.000 2.292 256 E HA 0.595 4.945 4.350 -0.000 0.000 0.272 256 E C -1.762 174.923 176.600 0.141 0.000 0.881 256 E CA -0.640 55.842 56.400 0.138 0.000 0.754 256 E CB 2.182 32.001 29.700 0.198 0.000 1.201 256 E HN 0.579 nan 8.360 nan 0.000 0.425 257 V N 4.857 124.797 119.914 0.044 0.000 2.432 257 V HA 0.153 4.273 4.120 -0.000 0.000 0.275 257 V C 0.986 176.908 176.094 -0.287 0.000 1.043 257 V CA -0.126 62.029 62.300 -0.243 0.000 0.925 257 V CB 0.994 32.587 31.823 -0.384 0.000 0.985 257 V HN 0.702 nan 8.190 nan 0.000 0.466 258 V N 1.506 121.218 119.914 -0.337 0.000 3.562 258 V HA 0.684 4.804 4.120 -0.000 0.000 0.270 258 V C 0.657 176.694 176.094 -0.095 0.000 1.418 258 V CA 0.652 62.904 62.300 -0.079 0.000 1.033 258 V CB 0.401 32.298 31.823 0.123 0.000 0.820 258 V HN 0.861 nan 8.190 nan 0.000 0.441 259 G N -0.486 108.112 108.800 -0.336 0.000 2.719 259 G HA2 0.574 4.534 3.960 -0.000 0.000 0.298 259 G HA3 0.574 4.534 3.960 -0.000 0.000 0.298 259 G C -2.427 172.418 174.900 -0.093 0.000 1.411 259 G CA -0.635 44.409 45.100 -0.093 0.000 0.991 259 G HN 0.332 nan 8.290 nan 0.000 0.509 260 Y N 0.899 121.191 120.300 -0.015 0.000 2.362 260 Y HA 0.690 5.240 4.550 -0.000 0.000 0.326 260 Y C -0.285 175.656 175.900 0.068 0.000 1.083 260 Y CA -1.337 56.771 58.100 0.014 0.000 1.073 260 Y CB 1.978 40.531 38.460 0.155 0.000 1.211 260 Y HN 0.875 nan 8.280 nan 0.000 0.433 261 G N 5.762 114.482 108.800 -0.132 0.000 2.609 261 G HA2 0.458 4.418 3.960 -0.000 0.000 0.308 261 G HA3 0.458 4.418 3.960 -0.000 0.000 0.308 261 G C -1.776 172.956 174.900 -0.279 0.000 1.369 261 G CA -1.095 43.855 45.100 -0.250 0.000 0.958 261 G HN 0.750 nan 8.290 nan 0.000 0.499 262 N N 0.684 119.179 118.700 -0.342 0.000 2.352 262 N HA 0.642 5.382 4.740 -0.000 0.000 0.291 262 N C -0.324 175.147 175.510 -0.065 0.000 1.040 262 N CA -0.607 52.354 53.050 -0.149 0.000 0.864 262 N CB 2.208 40.611 38.487 -0.139 0.000 1.440 262 N HN 0.561 nan 8.380 nan 0.000 0.483 263 T N -2.000 112.554 114.554 -0.001 0.000 2.742 263 T HA 0.640 4.990 4.350 -0.000 0.000 0.282 263 T C -0.854 173.857 174.700 0.019 0.000 1.025 263 T CA -0.767 61.330 62.100 -0.005 0.000 1.020 263 T CB 1.417 70.269 68.868 -0.028 0.000 1.317 263 T HN 0.712 nan 8.240 nan 0.000 0.538 264 C N 0.828 120.122 119.300 -0.010 0.000 2.535 264 C HA 0.567 5.027 4.460 -0.000 0.000 0.319 264 C C 0.939 175.908 174.990 -0.035 0.000 1.171 264 C CA -0.428 58.575 59.018 -0.025 0.000 1.394 264 C CB 0.516 28.239 27.740 -0.027 0.000 1.990 264 C HN 0.971 nan 8.230 nan 0.000 0.466 265 D N 2.873 123.255 120.400 -0.031 0.000 2.144 265 D HA 0.016 4.655 4.640 -0.000 0.000 0.199 265 D C 1.677 178.019 176.300 0.069 0.000 0.984 265 D CA 1.868 55.870 54.000 0.003 0.000 0.834 265 D CB -0.160 40.682 40.800 0.069 0.000 0.955 265 D HN 1.159 nan 8.370 nan 0.000 0.465 266 A N -0.752 122.100 122.820 0.054 0.000 2.704 266 A HA -0.292 4.027 4.320 -0.000 0.000 0.299 266 A C 0.779 178.455 177.584 0.154 0.000 1.507 266 A CA 1.470 53.545 52.037 0.063 0.000 0.776 266 A CB -2.275 16.745 19.000 0.034 0.000 1.027 266 A HN 0.504 nan 8.150 nan 0.000 0.475 267 Y N -0.892 119.439 120.300 0.051 0.000 2.569 267 Y HA 0.421 4.971 4.550 -0.000 0.000 0.278 267 Y C 0.878 176.869 175.900 0.152 0.000 1.130 267 Y CA 1.450 59.616 58.100 0.110 0.000 1.280 267 Y CB 0.570 39.124 38.460 0.157 0.000 1.379 267 Y HN 0.704 nan 8.280 nan 0.000 0.508 268 H N -0.385 118.653 119.070 -0.055 0.000 3.121 268 H HA 0.225 4.780 4.556 -0.000 0.000 0.337 268 H C 0.078 175.427 175.328 0.034 0.000 1.198 268 H CA -0.394 55.554 56.048 -0.166 0.000 1.274 268 H CB 1.594 31.107 29.762 -0.415 0.000 1.954 268 H HN 0.166 nan 8.280 nan 0.000 0.531 269 M N 1.891 121.231 119.600 -0.434 0.000 2.254 269 M HA -0.044 4.436 4.480 -0.000 0.000 0.265 269 M C 1.582 177.940 176.300 0.097 0.000 1.066 269 M CA 1.667 56.884 55.300 -0.138 0.000 1.123 269 M CB -1.086 31.418 32.600 -0.161 0.000 1.388 269 M HN 0.659 nan 8.290 nan 0.000 0.425 270 T N -4.392 110.241 114.554 0.132 0.000 3.132 270 T HA 0.317 4.666 4.350 -0.000 0.000 0.274 270 T C 0.397 175.379 174.700 0.469 0.000 1.011 270 T CA -0.245 62.122 62.100 0.444 0.000 0.899 270 T CB 0.283 69.353 68.868 0.338 0.000 1.089 270 T HN 0.091 nan 8.240 nan 0.000 0.543 271 S N 2.237 118.178 115.700 0.402 0.000 2.535 271 S HA 0.618 5.087 4.470 -0.000 0.000 0.272 271 S C -3.033 171.718 174.600 0.250 0.000 1.149 271 S CA -1.138 57.224 58.200 0.270 0.000 0.888 271 S CB 1.941 65.298 63.200 0.262 0.000 1.110 271 S HN 0.095 nan 8.310 nan 0.000 0.463 272 P HA 0.225 nan 4.420 nan 0.000 0.276 272 P C -0.849 176.404 177.300 -0.078 0.000 1.252 272 P CA -0.299 62.819 63.100 0.030 0.000 0.802 272 P CB 0.150 31.818 31.700 -0.055 0.000 1.035 273 H N 2.178 121.041 119.070 -0.345 0.000 3.070 273 H HA 0.032 4.588 4.556 -0.000 0.000 0.313 273 H C -1.228 173.819 175.328 -0.470 0.000 0.997 273 H CA -0.512 55.087 56.048 -0.749 0.000 1.438 273 H CB 0.236 29.659 29.762 -0.566 0.000 1.455 273 H HN 0.233 nan 8.280 nan 0.000 0.575 274 P HA -0.151 nan 4.420 nan 0.000 0.219 274 P C 0.086 177.262 177.300 -0.206 0.000 1.146 274 P CA 1.417 64.292 63.100 -0.374 0.000 0.808 274 P CB 0.327 31.802 31.700 -0.374 0.000 0.779 275 E N -1.314 118.827 120.200 -0.098 0.000 2.465 275 E HA 0.281 4.631 4.350 -0.000 0.000 0.195 275 E C 0.789 177.403 176.600 0.024 0.000 1.028 275 E CA 0.051 56.465 56.400 0.023 0.000 0.899 275 E CB -0.337 29.398 29.700 0.059 0.000 1.032 275 E HN 0.103 nan 8.360 nan 0.000 0.468 276 G N 2.756 111.547 108.800 -0.015 0.000 2.283 276 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.280 276 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.280 276 G C 0.756 175.524 174.900 -0.220 0.000 1.029 276 G CA 1.039 46.037 45.100 -0.171 0.000 0.840 276 G HN 0.439 nan 8.290 nan 0.000 0.505 277 Q N -0.492 119.127 119.800 -0.303 0.000 2.061 277 Q HA -0.069 4.271 4.340 -0.000 0.000 0.204 277 Q C 2.719 178.538 176.000 -0.301 0.000 0.984 277 Q CA 2.452 58.025 55.803 -0.382 0.000 0.846 277 Q CB -0.650 27.645 28.738 -0.738 0.000 0.902 277 Q HN 0.697 nan 8.270 nan 0.000 0.421 278 G N 0.002 108.613 108.800 -0.314 0.000 2.408 278 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 278 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 278 G C 1.452 176.237 174.900 -0.192 0.000 1.150 278 G CA 0.744 45.716 45.100 -0.213 0.000 0.776 278 G HN 0.508 nan 8.290 nan 0.000 0.542 279 A N 0.847 123.480 122.820 -0.312 0.000 1.898 279 A HA 0.064 4.384 4.320 -0.000 0.000 0.216 279 A C 2.361 179.871 177.584 -0.124 0.000 1.181 279 A CA 1.120 52.959 52.037 -0.331 0.000 0.620 279 A CB -0.345 18.173 19.000 -0.802 0.000 0.819 279 A HN 0.364 nan 8.150 nan 0.000 0.442 280 I N -0.344 120.144 120.570 -0.137 0.000 2.118 280 I HA -0.353 3.817 4.170 -0.000 0.000 0.241 280 I C 2.461 178.547 176.117 -0.051 0.000 1.070 280 I CA 2.065 63.320 61.300 -0.075 0.000 1.327 280 I CB -0.294 37.654 38.000 -0.086 0.000 1.034 280 I HN 0.308 nan 8.210 nan 0.000 0.405 281 K N 0.642 121.000 120.400 -0.070 0.000 2.148 281 K HA -0.077 4.243 4.320 -0.000 0.000 0.204 281 K C 2.206 178.788 176.600 -0.031 0.000 1.050 281 K CA 1.270 57.526 56.287 -0.051 0.000 0.942 281 K CB -0.245 32.217 32.500 -0.065 0.000 0.724 281 K HN 0.331 nan 8.250 nan 0.000 0.446 282 A N 1.522 124.333 122.820 -0.015 0.000 1.902 282 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 282 A C 2.123 179.725 177.584 0.029 0.000 1.181 282 A CA 1.227 53.274 52.037 0.015 0.000 0.623 282 A CB -0.585 18.463 19.000 0.081 0.000 0.818 282 A HN 0.162 nan 8.150 nan 0.000 0.443 283 I N -0.296 120.302 120.570 0.046 0.000 2.163 283 I HA -0.313 3.857 4.170 -0.000 0.000 0.243 283 I C 2.457 178.583 176.117 0.014 0.000 1.085 283 I CA 1.790 63.115 61.300 0.043 0.000 1.347 283 I CB -0.379 37.652 38.000 0.053 0.000 1.044 283 I HN 0.297 nan 8.210 nan 0.000 0.408 284 K N 0.785 121.185 120.400 0.001 0.000 2.063 284 K HA -0.159 4.160 4.320 -0.000 0.000 0.208 284 K C 2.140 178.736 176.600 -0.008 0.000 1.048 284 K CA 1.331 57.614 56.287 -0.007 0.000 0.928 284 K CB -0.310 32.182 32.500 -0.015 0.000 0.713 284 K HN 0.301 nan 8.250 nan 0.000 0.442 285 L N 0.558 121.774 121.223 -0.012 0.000 2.083 285 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 285 L C 2.607 179.476 176.870 -0.000 0.000 1.083 285 L CA 1.065 55.896 54.840 -0.015 0.000 0.752 285 L CB -0.542 41.492 42.059 -0.042 0.000 0.899 285 L HN 0.228 nan 8.230 nan 0.000 0.433 286 A N 0.184 123.005 122.820 0.002 0.000 1.873 286 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 286 A C 2.213 179.802 177.584 0.009 0.000 1.186 286 A CA 1.268 53.314 52.037 0.015 0.000 0.616 286 A CB -0.664 18.342 19.000 0.010 0.000 0.823 286 A HN 0.353 nan 8.150 nan 0.000 0.442 287 L N -0.780 120.440 121.223 -0.004 0.000 2.079 287 L HA -0.224 4.115 4.340 -0.000 0.000 0.210 287 L C 2.544 179.405 176.870 -0.014 0.000 1.081 287 L CA 1.781 56.608 54.840 -0.022 0.000 0.752 287 L CB -0.741 41.301 42.059 -0.029 0.000 0.896 287 L HN 0.466 nan 8.230 nan 0.000 0.433 288 E N -0.023 120.178 120.200 0.001 0.000 2.072 288 E HA -0.245 4.105 4.350 -0.000 0.000 0.191 288 E C 2.129 178.750 176.600 0.034 0.000 0.985 288 E CA 1.073 57.479 56.400 0.011 0.000 0.801 288 E CB 0.011 29.718 29.700 0.011 0.000 0.750 288 E HN 0.441 nan 8.360 nan 0.000 0.452 289 E N 0.482 120.717 120.200 0.059 0.000 2.072 289 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 289 E C 1.912 178.577 176.600 0.107 0.000 0.985 289 E CA 0.932 57.397 56.400 0.107 0.000 0.801 289 E CB -0.031 29.773 29.700 0.173 0.000 0.750 289 E HN 0.215 nan 8.360 nan 0.000 0.452 290 A N 0.641 123.505 122.820 0.073 0.000 2.119 290 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 290 A C 0.478 178.077 177.584 0.026 0.000 1.153 290 A CA 1.039 53.114 52.037 0.062 0.000 0.692 290 A CB -0.255 18.762 19.000 0.028 0.000 0.799 290 A HN 0.446 nan 8.150 nan 0.000 0.458 291 E N -1.010 119.192 120.200 0.003 0.000 2.340 291 E HA -0.191 4.158 4.350 -0.000 0.000 0.240 291 E C -0.192 176.368 176.600 -0.066 0.000 1.154 291 E CA 0.698 57.090 56.400 -0.014 0.000 0.717 291 E CB -2.078 27.630 29.700 0.013 0.000 1.250 291 E HN 0.889 nan 8.360 nan 0.000 0.386 292 I N -3.210 117.289 120.570 -0.117 0.000 3.170 292 I HA 0.692 4.862 4.170 -0.000 0.000 0.312 292 I C 0.432 176.468 176.117 -0.134 0.000 1.085 292 I CA -0.971 60.206 61.300 -0.204 0.000 0.999 292 I CB 2.069 39.799 38.000 -0.449 0.000 1.233 292 I HN 0.013 nan 8.210 nan 0.000 0.467 293 S N 0.634 116.254 115.700 -0.133 0.000 2.681 293 S HA 0.595 5.065 4.470 -0.000 0.000 0.299 293 S C -2.151 172.405 174.600 -0.072 0.000 1.113 293 S CA -1.320 56.833 58.200 -0.078 0.000 1.013 293 S CB 1.482 64.649 63.200 -0.056 0.000 1.076 293 S HN 0.566 nan 8.310 nan 0.000 0.534 294 P HA -0.063 nan 4.420 nan 0.000 0.218 294 P C 0.743 178.035 177.300 -0.013 0.000 1.148 294 P CA 1.188 64.275 63.100 -0.022 0.000 0.822 294 P CB -0.017 31.676 31.700 -0.011 0.000 0.784 295 E N -0.460 119.731 120.200 -0.016 0.000 2.150 295 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 295 E C 1.933 178.535 176.600 0.004 0.000 0.985 295 E CA 0.892 57.291 56.400 -0.002 0.000 0.814 295 E CB -0.689 29.009 29.700 -0.002 0.000 0.752 295 E HN 0.426 nan 8.360 nan 0.000 0.466 296 Q N 0.172 119.955 119.800 -0.029 0.000 2.436 296 Q HA 0.011 4.351 4.340 -0.000 0.000 0.209 296 Q C -0.116 175.909 176.000 0.042 0.000 0.965 296 Q CA 0.208 55.996 55.803 -0.026 0.000 0.910 296 Q CB 0.324 28.941 28.738 -0.201 0.000 0.980 296 Q HN 0.101 nan 8.270 nan 0.000 0.491 297 V N 1.490 121.425 119.914 0.034 0.000 2.415 297 V HA 0.058 4.178 4.120 -0.000 0.000 0.267 297 V C 0.824 176.990 176.094 0.119 0.000 1.042 297 V CA 0.371 62.727 62.300 0.093 0.000 1.000 297 V CB 0.770 32.628 31.823 0.059 0.000 1.015 297 V HN 0.225 nan 8.190 nan 0.000 0.478 298 A N 4.855 127.779 122.820 0.173 0.000 2.147 298 A HA 0.261 4.581 4.320 -0.000 0.000 0.211 298 A C 0.374 178.093 177.584 0.225 0.000 1.160 298 A CA 0.485 52.620 52.037 0.164 0.000 0.781 298 A CB 0.201 19.294 19.000 0.155 0.000 0.842 298 A HN 0.774 nan 8.150 nan 0.000 0.475 299 Y N -1.480 118.867 120.300 0.078 0.000 2.519 299 Y HA 0.515 5.065 4.550 -0.000 0.000 0.336 299 Y C -1.785 174.166 175.900 0.085 0.000 1.089 299 Y CA -1.777 56.361 58.100 0.063 0.000 1.025 299 Y CB 1.490 39.984 38.460 0.056 0.000 1.318 299 Y HN -0.156 nan 8.280 nan 0.000 0.452 300 V N 6.469 126.118 119.914 -0.442 0.000 2.376 300 V HA 0.291 4.411 4.120 -0.000 0.000 0.287 300 V C -0.373 175.243 176.094 -0.797 0.000 1.015 300 V CA -1.022 60.989 62.300 -0.482 0.000 0.834 300 V CB 1.392 33.142 31.823 -0.123 0.000 1.001 300 V HN 0.790 nan 8.190 nan 0.000 0.428 301 N N 4.122 122.354 118.700 -0.781 0.000 2.402 301 N HA 0.339 5.079 4.740 -0.000 0.000 0.252 301 N C 0.126 175.582 175.510 -0.089 0.000 1.118 301 N CA -0.078 52.767 53.050 -0.343 0.000 0.945 301 N CB 1.573 39.966 38.487 -0.156 0.000 1.147 301 N HN 0.806 nan 8.380 nan 0.000 0.495 302 A N 2.867 125.705 122.820 0.030 0.000 2.346 302 A HA 0.059 4.379 4.320 -0.000 0.000 0.252 302 A C 1.178 178.792 177.584 0.049 0.000 1.089 302 A CA -0.140 51.966 52.037 0.116 0.000 0.797 302 A CB 0.257 19.455 19.000 0.329 0.000 1.047 302 A HN 0.911 nan 8.150 nan 0.000 0.494 303 H N 0.961 119.957 119.070 -0.123 0.000 2.299 303 H HA 0.093 4.649 4.556 -0.000 0.000 0.302 303 H C 1.555 176.776 175.328 -0.177 0.000 1.078 303 H CA 1.584 57.486 56.048 -0.244 0.000 1.323 303 H CB -0.670 28.850 29.762 -0.403 0.000 1.381 303 H HN 1.137 nan 8.280 nan 0.000 0.498 304 G N 0.728 109.444 108.800 -0.140 0.000 2.072 304 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.242 304 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.242 304 G C 1.009 175.702 174.900 -0.346 0.000 0.694 304 G CA 0.957 45.894 45.100 -0.271 0.000 1.084 304 G HN 0.771 nan 8.290 nan 0.000 0.350 305 T N -1.859 112.435 114.554 -0.433 0.000 3.088 305 T HA 0.325 4.675 4.350 -0.000 0.000 0.259 305 T C 1.465 176.096 174.700 -0.114 0.000 1.122 305 T CA 1.098 62.962 62.100 -0.392 0.000 1.095 305 T CB 0.267 68.869 68.868 -0.444 0.000 0.930 305 T HN 1.792 nan 8.240 nan 0.000 0.508 306 S N -0.027 115.597 115.700 -0.128 0.000 3.696 306 S HA -0.140 4.330 4.470 -0.000 0.000 0.302 306 S C 0.112 174.719 174.600 0.011 0.000 1.182 306 S CA 0.651 58.817 58.200 -0.057 0.000 0.857 306 S CB -2.055 61.141 63.200 -0.006 0.000 0.960 306 S HN 0.781 nan 8.310 nan 0.000 0.559 307 T N 1.808 116.372 114.554 0.015 0.000 2.867 307 T HA 0.499 4.849 4.350 -0.000 0.000 0.282 307 T C -1.404 173.322 174.700 0.044 0.000 1.000 307 T CA -1.455 60.693 62.100 0.080 0.000 1.042 307 T CB 1.442 70.397 68.868 0.145 0.000 0.973 307 T HN 0.038 nan 8.240 nan 0.000 0.465 308 P HA -0.151 nan 4.420 nan 0.000 0.215 308 P C 1.208 178.549 177.300 0.069 0.000 1.163 308 P CA 1.283 64.425 63.100 0.071 0.000 0.894 308 P CB 0.050 31.794 31.700 0.074 0.000 0.791 309 A N -0.811 122.046 122.820 0.062 0.000 1.930 309 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 309 A C 2.293 179.893 177.584 0.027 0.000 1.175 309 A CA 2.113 54.174 52.037 0.040 0.000 0.627 309 A CB -1.767 17.263 19.000 0.049 0.000 0.815 309 A HN 0.245 nan 8.150 nan 0.000 0.443 310 N N -0.267 118.451 118.700 0.030 0.000 2.080 310 N HA -0.169 4.571 4.740 -0.000 0.000 0.189 310 N C 1.520 177.036 175.510 0.010 0.000 1.036 310 N CA 1.903 54.975 53.050 0.037 0.000 0.846 310 N CB -0.275 38.250 38.487 0.063 0.000 1.015 310 N HN 0.453 nan 8.380 nan 0.000 0.423 311 E N 0.209 120.357 120.200 -0.086 0.000 2.204 311 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 311 E C 1.726 178.384 176.600 0.095 0.000 0.989 311 E CA 0.730 57.027 56.400 -0.171 0.000 0.824 311 E CB -0.052 29.330 29.700 -0.529 0.000 0.756 311 E HN 0.397 nan 8.360 nan 0.000 0.477 312 K N -0.042 120.451 120.400 0.154 0.000 2.009 312 K HA -0.135 4.185 4.320 -0.000 0.000 0.210 312 K C 2.112 178.786 176.600 0.122 0.000 1.049 312 K CA 1.694 58.129 56.287 0.245 0.000 0.929 312 K CB -0.412 32.154 32.500 0.110 0.000 0.714 312 K HN 0.215 nan 8.250 nan 0.000 0.440 313 G N 0.466 109.286 108.800 0.033 0.000 2.403 313 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 313 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 313 G C 1.351 176.244 174.900 -0.012 0.000 1.154 313 G CA 0.796 45.883 45.100 -0.021 0.000 0.784 313 G HN 0.547 nan 8.290 nan 0.000 0.538 314 E N 0.404 120.633 120.200 0.047 0.000 2.047 314 E HA -0.131 4.218 4.350 -0.000 0.000 0.191 314 E C 2.548 179.274 176.600 0.211 0.000 0.987 314 E CA 1.251 57.734 56.400 0.139 0.000 0.799 314 E CB -0.281 29.604 29.700 0.309 0.000 0.752 314 E HN 0.328 nan 8.360 nan 0.000 0.449 315 S N -0.435 115.433 115.700 0.280 0.000 2.359 315 S HA -0.131 4.339 4.470 -0.000 0.000 0.224 315 S C 2.066 176.762 174.600 0.160 0.000 1.035 315 S CA 1.614 59.984 58.200 0.283 0.000 1.018 315 S CB -0.833 62.568 63.200 0.335 0.000 0.876 315 S HN 0.493 nan 8.310 nan 0.000 0.448 316 G N 0.653 109.530 108.800 0.128 0.000 2.469 316 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.220 316 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.220 316 G C 1.629 176.554 174.900 0.042 0.000 1.136 316 G CA 1.142 46.286 45.100 0.073 0.000 0.759 316 G HN 0.737 nan 8.290 nan 0.000 0.562 317 A N 0.360 123.198 122.820 0.029 0.000 1.898 317 A HA 0.231 4.551 4.320 -0.000 0.000 0.214 317 A C 2.390 179.995 177.584 0.036 0.000 1.183 317 A CA 0.938 52.975 52.037 -0.001 0.000 0.622 317 A CB -0.217 18.745 19.000 -0.064 0.000 0.824 317 A HN 0.354 nan 8.150 nan 0.000 0.444 318 I N -0.411 120.206 120.570 0.078 0.000 2.179 318 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 318 I C 2.368 178.517 176.117 0.053 0.000 1.088 318 I CA 1.098 62.446 61.300 0.080 0.000 1.357 318 I CB -0.374 37.691 38.000 0.109 0.000 1.051 318 I HN 0.141 nan 8.210 nan 0.000 0.409 319 V N 1.162 121.108 119.914 0.055 0.000 2.233 319 V HA -0.335 3.784 4.120 -0.000 0.000 0.247 319 V C 2.747 178.857 176.094 0.027 0.000 1.050 319 V CA 2.177 64.501 62.300 0.040 0.000 1.010 319 V CB -1.079 30.772 31.823 0.047 0.000 0.637 319 V HN 0.520 nan 8.190 nan 0.000 0.444 320 A N -0.696 122.138 122.820 0.022 0.000 1.978 320 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 320 A C 2.278 179.866 177.584 0.005 0.000 1.170 320 A CA 2.284 54.327 52.037 0.009 0.000 0.636 320 A CB -0.478 18.521 19.000 -0.001 0.000 0.810 320 A HN 0.398 nan 8.150 nan 0.000 0.448 321 V N -1.279 118.641 119.914 0.010 0.000 2.575 321 V HA 0.045 4.165 4.120 -0.000 0.000 0.242 321 V C 2.105 178.205 176.094 0.010 0.000 1.045 321 V CA 1.287 63.591 62.300 0.007 0.000 1.065 321 V CB -0.251 31.577 31.823 0.010 0.000 0.717 321 V HN 0.509 nan 8.190 nan 0.000 0.467 322 L N -0.687 120.547 121.223 0.018 0.000 2.609 322 L HA 0.550 4.890 4.340 -0.000 0.000 0.230 322 L C 1.086 177.966 176.870 0.018 0.000 1.087 322 L CA 0.710 55.561 54.840 0.019 0.000 0.874 322 L CB 0.336 42.411 42.059 0.027 0.000 1.114 322 L HN 0.546 nan 8.230 nan 0.000 0.488 323 G N 1.055 109.866 108.800 0.018 0.000 2.685 323 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.387 323 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.387 323 G C -0.047 174.863 174.900 0.017 0.000 1.324 323 G CA -0.285 44.824 45.100 0.016 0.000 0.878 323 G HN 0.179 nan 8.290 nan 0.000 0.527 324 K N 0.057 120.465 120.400 0.013 0.000 2.374 324 K HA 0.180 4.500 4.320 -0.000 0.000 0.196 324 K C 1.497 178.099 176.600 0.002 0.000 1.023 324 K CA 0.561 56.853 56.287 0.009 0.000 1.103 324 K CB 0.518 33.024 32.500 0.010 0.000 0.848 324 K HN 0.445 nan 8.250 nan 0.000 0.528 325 E N 0.786 120.990 120.200 0.005 0.000 2.127 325 E HA -0.018 4.332 4.350 -0.000 0.000 0.191 325 E C 0.775 177.379 176.600 0.007 0.000 0.964 325 E CA 0.182 56.584 56.400 0.003 0.000 0.832 325 E CB -0.204 29.499 29.700 0.006 0.000 0.790 325 E HN -0.005 nan 8.360 nan 0.000 0.465 326 V N 4.469 124.395 119.914 0.020 0.000 2.644 326 V HA -0.020 4.100 4.120 -0.000 0.000 0.305 326 V C -2.376 173.742 176.094 0.039 0.000 1.053 326 V CA -1.035 61.288 62.300 0.038 0.000 1.186 326 V CB 0.397 32.247 31.823 0.046 0.000 0.895 326 V HN -0.052 nan 8.190 nan 0.000 0.490 327 P HA 0.233 nan 4.420 nan 0.000 0.267 327 P C -1.164 176.224 177.300 0.147 0.000 1.205 327 P CA 0.157 63.305 63.100 0.079 0.000 0.765 327 P CB 0.706 32.456 31.700 0.083 0.000 0.828 328 V N 3.037 122.991 119.914 0.068 0.000 2.588 328 V HA 0.662 4.782 4.120 -0.000 0.000 0.304 328 V C -0.126 176.013 176.094 0.075 0.000 1.042 328 V CA -0.413 61.915 62.300 0.046 0.000 0.877 328 V CB 1.941 33.709 31.823 -0.091 0.000 0.996 328 V HN 0.707 nan 8.190 nan 0.000 0.425 329 S N 2.138 117.967 115.700 0.214 0.000 2.541 329 S HA 0.710 5.180 4.470 -0.000 0.000 0.271 329 S C -0.830 173.936 174.600 0.276 0.000 1.133 329 S CA -0.665 57.678 58.200 0.239 0.000 0.876 329 S CB 2.023 65.379 63.200 0.261 0.000 1.105 329 S HN 0.783 nan 8.310 nan 0.000 0.470 330 S N 1.121 117.004 115.700 0.305 0.000 2.456 330 S HA 0.481 4.951 4.470 -0.000 0.000 0.316 330 S C 0.942 175.681 174.600 0.231 0.000 1.089 330 S CA -0.136 58.210 58.200 0.243 0.000 1.101 330 S CB 0.539 63.878 63.200 0.232 0.000 0.995 330 S HN 0.990 nan 8.310 nan 0.000 0.468 331 T N 2.484 117.154 114.554 0.195 0.000 3.148 331 T HA 0.166 4.516 4.350 -0.000 0.000 0.253 331 T C 1.208 176.041 174.700 0.221 0.000 1.134 331 T CA 0.162 62.398 62.100 0.226 0.000 1.051 331 T CB -0.197 68.714 68.868 0.071 0.000 0.959 331 T HN 0.621 nan 8.240 nan 0.000 0.525 332 K N 1.802 122.277 120.400 0.125 0.000 2.362 332 K HA -0.038 4.282 4.320 -0.000 0.000 0.200 332 K C 2.506 179.163 176.600 0.096 0.000 1.046 332 K CA 1.176 57.507 56.287 0.073 0.000 0.952 332 K CB -0.138 32.324 32.500 -0.064 0.000 0.753 332 K HN 0.597 nan 8.250 nan 0.000 0.466 333 S N -0.103 115.667 115.700 0.117 0.000 2.474 333 S HA -0.088 4.382 4.470 -0.000 0.000 0.235 333 S C 1.556 176.111 174.600 -0.075 0.000 0.997 333 S CA 0.751 58.963 58.200 0.019 0.000 0.949 333 S CB -0.239 62.958 63.200 -0.006 0.000 0.766 333 S HN 0.155 nan 8.310 nan 0.000 0.517 334 F N 2.199 122.139 119.950 -0.016 0.000 2.390 334 F HA 0.150 4.677 4.527 -0.000 0.000 0.281 334 F C 2.967 178.757 175.800 -0.015 0.000 1.016 334 F CA 1.141 59.116 58.000 -0.041 0.000 1.286 334 F CB -0.797 38.142 39.000 -0.102 0.000 1.134 334 F HN 0.296 nan 8.300 nan 0.000 0.597 335 T N -1.921 112.775 114.554 0.238 0.000 3.088 335 T HA 0.447 4.797 4.350 -0.000 0.000 0.259 335 T C 1.205 175.990 174.700 0.142 0.000 1.122 335 T CA 0.480 62.686 62.100 0.176 0.000 1.095 335 T CB -0.680 68.306 68.868 0.196 0.000 0.930 335 T HN 0.527 nan 8.240 nan 0.000 0.508 336 G N 0.950 109.827 108.800 0.128 0.000 2.750 336 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.228 336 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.228 336 G C -0.550 174.449 174.900 0.165 0.000 1.367 336 G CA -0.237 44.946 45.100 0.138 0.000 0.871 336 G HN 0.932 nan 8.290 nan 0.000 0.560 337 H N -0.287 118.816 119.070 0.054 0.000 2.597 337 H HA 0.515 5.071 4.556 -0.000 0.000 0.303 337 H C 0.909 176.209 175.328 -0.045 0.000 1.057 337 H CA -1.072 54.929 56.048 -0.079 0.000 1.261 337 H CB 0.617 30.166 29.762 -0.355 0.000 1.397 337 H HN 0.295 nan 8.280 nan 0.000 0.461 338 L N 6.145 127.505 121.223 0.228 0.000 2.629 338 L HA -0.022 4.318 4.340 -0.000 0.000 0.230 338 L C 0.519 177.405 176.870 0.028 0.000 1.151 338 L CA 0.318 55.224 54.840 0.109 0.000 0.924 338 L CB -0.385 41.755 42.059 0.136 0.000 1.137 338 L HN 0.764 nan 8.230 nan 0.000 0.457 339 L N -0.636 120.480 121.223 -0.178 0.000 5.531 339 L HA -0.358 3.982 4.340 -0.000 0.000 0.053 339 L C 1.983 178.878 176.870 0.041 0.000 2.831 339 L CA 2.143 56.825 54.840 -0.263 0.000 1.552 339 L CB -2.113 39.799 42.059 -0.245 0.000 2.889 339 L HN 0.288 nan 8.230 nan 0.000 0.964 340 G N -1.417 107.416 108.800 0.054 0.000 2.535 340 G HA2 0.121 4.081 3.960 -0.000 0.000 0.218 340 G HA3 0.121 4.081 3.960 -0.000 0.000 0.218 340 G C 1.097 176.054 174.900 0.095 0.000 1.122 340 G CA 1.388 46.538 45.100 0.083 0.000 0.769 340 G HN 0.989 nan 8.290 nan 0.000 0.549 341 A N -0.064 122.818 122.820 0.103 0.000 2.343 341 A HA 0.699 5.018 4.320 -0.000 0.000 0.223 341 A C 2.472 180.118 177.584 0.103 0.000 1.214 341 A CA 1.194 53.294 52.037 0.104 0.000 0.900 341 A CB -0.112 18.959 19.000 0.117 0.000 0.942 341 A HN 0.489 nan 8.150 nan 0.000 0.507 342 A N 0.333 123.229 122.820 0.128 0.000 1.903 342 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 342 A C 2.336 179.982 177.584 0.103 0.000 1.191 342 A CA 2.217 54.337 52.037 0.139 0.000 0.638 342 A CB -1.370 17.746 19.000 0.194 0.000 0.823 342 A HN 0.783 nan 8.150 nan 0.000 0.451 343 G N -0.990 107.866 108.800 0.093 0.000 2.422 343 G HA2 0.027 3.987 3.960 -0.000 0.000 0.218 343 G HA3 0.027 3.987 3.960 -0.000 0.000 0.218 343 G C 1.733 176.673 174.900 0.068 0.000 1.146 343 G CA 1.496 46.642 45.100 0.077 0.000 0.769 343 G HN 0.862 nan 8.290 nan 0.000 0.547 344 A N 0.059 122.911 122.820 0.054 0.000 1.873 344 A HA 0.101 4.421 4.320 -0.000 0.000 0.215 344 A C 2.587 180.159 177.584 -0.019 0.000 1.186 344 A CA 1.740 53.791 52.037 0.024 0.000 0.616 344 A CB -0.681 18.335 19.000 0.027 0.000 0.823 344 A HN 0.240 nan 8.150 nan 0.000 0.442 345 V N 0.031 119.946 119.914 0.002 0.000 2.427 345 V HA -0.227 3.892 4.120 -0.000 0.000 0.248 345 V C 2.348 178.482 176.094 0.067 0.000 1.051 345 V CA 2.273 64.564 62.300 -0.016 0.000 1.048 345 V CB -0.668 31.199 31.823 0.074 0.000 0.666 345 V HN 0.652 nan 8.190 nan 0.000 0.456 346 E N -0.182 120.071 120.200 0.088 0.000 2.274 346 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 346 E C 2.227 178.840 176.600 0.023 0.000 0.996 346 E CA 0.966 57.423 56.400 0.095 0.000 0.840 346 E CB -0.218 29.533 29.700 0.086 0.000 0.772 346 E HN 0.617 nan 8.360 nan 0.000 0.491 347 A N 0.913 123.724 122.820 -0.016 0.000 1.929 347 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 347 A C 2.098 179.475 177.584 -0.345 0.000 1.176 347 A CA 0.810 52.759 52.037 -0.146 0.000 0.628 347 A CB -0.377 18.644 19.000 0.034 0.000 0.816 347 A HN 0.127 nan 8.150 nan 0.000 0.444 348 I N -0.367 120.033 120.570 -0.284 0.000 2.142 348 I HA -0.220 3.950 4.170 -0.000 0.000 0.240 348 I C 2.363 178.389 176.117 -0.151 0.000 1.078 348 I CA 1.189 62.222 61.300 -0.444 0.000 1.343 348 I CB -0.481 37.209 38.000 -0.518 0.000 1.046 348 I HN 0.144 nan 8.210 nan 0.000 0.405 349 V N 0.753 120.748 119.914 0.134 0.000 2.278 349 V HA -0.366 3.754 4.120 -0.000 0.000 0.251 349 V C 2.496 178.696 176.094 0.175 0.000 1.062 349 V CA 2.717 65.184 62.300 0.278 0.000 1.038 349 V CB -1.192 30.784 31.823 0.254 0.000 0.646 349 V HN 0.501 nan 8.190 nan 0.000 0.447 350 T N -0.186 114.380 114.554 0.020 0.000 2.777 350 T HA -0.040 4.310 4.350 -0.000 0.000 0.266 350 T C 1.811 176.418 174.700 -0.156 0.000 1.040 350 T CA 1.589 63.685 62.100 -0.006 0.000 1.141 350 T CB -0.231 68.480 68.868 -0.263 0.000 0.868 350 T HN 0.352 nan 8.240 nan 0.000 0.444 351 I N 0.896 121.264 120.570 -0.338 0.000 2.202 351 I HA -0.120 4.049 4.170 -0.000 0.000 0.242 351 I C 2.750 178.756 176.117 -0.185 0.000 1.091 351 I CA 1.086 62.212 61.300 -0.290 0.000 1.368 351 I CB -0.290 37.510 38.000 -0.333 0.000 1.058 351 I HN 0.157 nan 8.210 nan 0.000 0.410 352 E N 1.013 121.116 120.200 -0.163 0.000 2.077 352 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 352 E C 2.330 178.670 176.600 -0.434 0.000 0.989 352 E CA 1.458 57.710 56.400 -0.245 0.000 0.800 352 E CB -0.273 29.390 29.700 -0.062 0.000 0.746 352 E HN 0.495 nan 8.360 nan 0.000 0.452 353 A N 1.138 123.871 122.820 -0.147 0.000 1.940 353 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 353 A C 2.268 179.799 177.584 -0.089 0.000 1.176 353 A CA 1.592 53.611 52.037 -0.031 0.000 0.631 353 A CB -0.497 18.533 19.000 0.051 0.000 0.814 353 A HN 0.170 nan 8.150 nan 0.000 0.446 354 M N -1.264 118.282 119.600 -0.090 0.000 2.175 354 M HA -0.125 4.355 4.480 -0.000 0.000 0.264 354 M C 2.300 178.503 176.300 -0.161 0.000 1.063 354 M CA 1.397 56.651 55.300 -0.077 0.000 1.119 354 M CB -0.297 32.278 32.600 -0.042 0.000 1.377 354 M HN 0.368 nan 8.290 nan 0.000 0.415 355 R N -0.838 119.477 120.500 -0.308 0.000 2.148 355 R HA -0.049 4.290 4.340 -0.000 0.000 0.223 355 R C 1.306 177.231 176.300 -0.626 0.000 1.088 355 R CA 0.743 56.562 56.100 -0.468 0.000 0.985 355 R CB -0.154 29.786 30.300 -0.600 0.000 0.880 355 R HN 0.490 nan 8.270 nan 0.000 0.451 356 H N 0.535 119.438 119.070 -0.279 0.000 2.549 356 H HA 0.187 4.743 4.556 -0.000 0.000 0.279 356 H C -0.133 175.201 175.328 0.010 0.000 1.018 356 H CA -0.209 55.715 56.048 -0.206 0.000 1.175 356 H CB 0.183 29.675 29.762 -0.450 0.000 1.485 356 H HN 0.142 nan 8.280 nan 0.000 0.543 357 N N 0.556 119.283 118.700 0.045 0.000 2.688 357 N HA -0.247 4.493 4.740 -0.000 0.000 0.258 357 N C -0.863 174.800 175.510 0.254 0.000 1.016 357 N CA 0.864 53.976 53.050 0.103 0.000 0.747 357 N CB -1.651 36.888 38.487 0.086 0.000 0.895 357 N HN 0.328 nan 8.380 nan 0.000 0.543 358 F N -0.647 119.333 119.950 0.049 0.000 2.622 358 F HA 0.319 4.846 4.527 -0.000 0.000 0.318 358 F C -0.990 174.828 175.800 0.030 0.000 1.135 358 F CA -0.763 57.299 58.000 0.104 0.000 1.015 358 F CB 1.346 40.528 39.000 0.303 0.000 1.275 358 F HN -0.168 nan 8.300 nan 0.000 0.457 359 V N 7.412 126.925 119.914 -0.668 0.000 2.368 359 V HA 0.350 4.469 4.120 -0.000 0.000 0.266 359 V C -2.105 173.577 176.094 -0.687 0.000 1.045 359 V CA -1.740 60.131 62.300 -0.716 0.000 0.899 359 V CB 0.921 32.381 31.823 -0.605 0.000 1.006 359 V HN 0.531 nan 8.190 nan 0.000 0.470 360 P HA 0.158 nan 4.420 nan 0.000 0.269 360 P C 0.086 177.334 177.300 -0.085 0.000 1.209 360 P CA -0.229 62.765 63.100 -0.176 0.000 0.776 360 P CB 0.467 32.040 31.700 -0.212 0.000 0.876 361 M N 0.193 119.813 119.600 0.033 0.000 2.113 361 M HA 0.283 4.762 4.480 -0.000 0.000 0.288 361 M C -0.345 176.105 176.300 0.250 0.000 1.225 361 M CA 0.574 55.941 55.300 0.112 0.000 1.148 361 M CB -0.235 32.444 32.600 0.132 0.000 1.388 361 M HN 0.057 nan 8.290 nan 0.000 0.469 362 T N 1.894 116.577 114.554 0.216 0.000 2.728 362 T HA 0.582 4.932 4.350 -0.000 0.000 0.296 362 T C 0.107 174.880 174.700 0.122 0.000 0.940 362 T CA -0.530 61.705 62.100 0.224 0.000 1.013 362 T CB 0.661 69.667 68.868 0.230 0.000 0.912 362 T HN 0.721 nan 8.240 nan 0.000 0.484 363 A N 2.590 125.381 122.820 -0.049 0.000 2.313 363 A HA 0.674 4.994 4.320 -0.000 0.000 0.261 363 A C 1.636 179.129 177.584 -0.152 0.000 1.090 363 A CA 0.190 52.068 52.037 -0.265 0.000 0.807 363 A CB -0.544 17.938 19.000 -0.863 0.000 1.055 363 A HN 1.363 nan 8.150 nan 0.000 0.492 364 G N -0.092 108.625 108.800 -0.138 0.000 2.609 364 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.235 364 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.235 364 G C 0.723 175.579 174.900 -0.074 0.000 1.177 364 G CA 0.915 45.955 45.100 -0.100 0.000 0.707 364 G HN 1.349 nan 8.290 nan 0.000 0.513 365 T N 1.823 116.339 114.554 -0.063 0.000 2.867 365 T HA 0.440 4.790 4.350 -0.000 0.000 0.297 365 T C 1.531 176.087 174.700 -0.240 0.000 0.989 365 T CA 1.089 63.113 62.100 -0.128 0.000 1.159 365 T CB 1.216 70.035 68.868 -0.081 0.000 0.928 365 T HN 1.139 nan 8.240 nan 0.000 0.538 366 S N 1.926 117.446 115.700 -0.300 0.000 2.613 366 S HA 0.260 4.730 4.470 -0.000 0.000 0.235 366 S C 0.279 174.621 174.600 -0.430 0.000 1.073 366 S CA -0.498 57.529 58.200 -0.288 0.000 0.899 366 S CB 0.528 63.661 63.200 -0.112 0.000 0.818 366 S HN 0.680 nan 8.310 nan 0.000 0.484 367 E N 1.105 121.078 120.200 -0.378 0.000 2.274 367 E HA 0.497 4.847 4.350 -0.000 0.000 0.269 367 E C -1.595 174.855 176.600 -0.250 0.000 0.891 367 E CA -0.535 55.690 56.400 -0.292 0.000 0.784 367 E CB 2.492 32.111 29.700 -0.136 0.000 1.225 367 E HN 0.149 nan 8.360 nan 0.000 0.412 368 V N 2.619 122.396 119.914 -0.230 0.000 2.775 368 V HA 0.103 4.223 4.120 -0.000 0.000 0.299 368 V C 0.515 176.527 176.094 -0.138 0.000 1.062 368 V CA -0.248 61.972 62.300 -0.133 0.000 1.063 368 V CB 1.578 33.365 31.823 -0.060 0.000 0.994 368 V HN 0.711 nan 8.190 nan 0.000 0.483 369 S N 2.504 118.090 115.700 -0.190 0.000 2.558 369 S HA -0.082 4.388 4.470 -0.000 0.000 0.291 369 S C 1.270 175.634 174.600 -0.393 0.000 1.306 369 S CA -0.105 57.879 58.200 -0.359 0.000 1.056 369 S CB 0.176 62.970 63.200 -0.677 0.000 0.836 369 S HN 0.945 nan 8.310 nan 0.000 0.504 370 D N 1.190 121.417 120.400 -0.289 0.000 2.158 370 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 370 D C 1.541 177.786 176.300 -0.093 0.000 0.995 370 D CA 1.542 55.468 54.000 -0.123 0.000 0.846 370 D CB 0.047 40.842 40.800 -0.008 0.000 0.941 370 D HN 0.862 nan 8.370 nan 0.000 0.456 371 Y N -0.343 119.979 120.300 0.036 0.000 2.544 371 Y HA 0.302 4.852 4.550 -0.000 0.000 0.286 371 Y C 1.021 176.950 175.900 0.049 0.000 1.141 371 Y CA -0.431 57.691 58.100 0.036 0.000 1.299 371 Y CB -0.645 37.832 38.460 0.029 0.000 1.030 371 Y HN -0.195 nan 8.280 nan 0.000 0.543 372 I N 2.660 123.147 120.570 -0.139 0.000 2.436 372 I HA 0.016 4.186 4.170 -0.000 0.000 0.289 372 I C 0.515 176.653 176.117 0.036 0.000 1.083 372 I CA 0.478 61.790 61.300 0.020 0.000 1.372 372 I CB 1.067 39.057 38.000 -0.016 0.000 1.408 372 I HN 0.346 nan 8.210 nan 0.000 0.516 373 E N 4.509 124.752 120.200 0.071 0.000 2.460 373 E HA 0.171 4.521 4.350 -0.000 0.000 0.200 373 E C 0.692 177.304 176.600 0.020 0.000 1.011 373 E CA -0.241 56.185 56.400 0.043 0.000 0.912 373 E CB 0.581 30.313 29.700 0.055 0.000 0.953 373 E HN 0.759 nan 8.360 nan 0.000 0.494 374 A N 1.925 124.754 122.820 0.015 0.000 2.483 374 A HA 0.028 4.348 4.320 -0.000 0.000 0.238 374 A C 0.352 177.894 177.584 -0.070 0.000 1.070 374 A CA -0.267 51.755 52.037 -0.025 0.000 0.770 374 A CB 0.081 19.058 19.000 -0.039 0.000 1.008 374 A HN 0.053 nan 8.150 nan 0.000 0.497 375 N N 1.840 120.504 118.700 -0.060 0.000 2.744 375 N HA 0.150 4.890 4.740 -0.000 0.000 0.290 375 N C -0.628 174.812 175.510 -0.116 0.000 1.206 375 N CA 0.112 53.120 53.050 -0.069 0.000 1.119 375 N CB -0.510 37.951 38.487 -0.043 0.000 1.449 375 N HN 0.296 nan 8.380 nan 0.000 0.514 376 V N 3.334 123.155 119.914 -0.156 0.000 2.439 376 V HA 0.094 4.214 4.120 -0.000 0.000 0.271 376 V C 0.415 176.473 176.094 -0.058 0.000 1.040 376 V CA -0.653 61.522 62.300 -0.209 0.000 1.002 376 V CB 1.006 32.649 31.823 -0.300 0.000 1.000 376 V HN 0.177 nan 8.190 nan 0.000 0.477 377 V N 7.787 127.665 119.914 -0.060 0.000 2.432 377 V HA 0.436 4.555 4.120 -0.000 0.000 0.271 377 V C -0.289 175.821 176.094 0.027 0.000 1.046 377 V CA -0.170 62.072 62.300 -0.097 0.000 0.945 377 V CB 0.122 31.889 31.823 -0.092 0.000 0.992 377 V HN 0.889 nan 8.190 nan 0.000 0.471 378 Y N 1.942 122.220 120.300 -0.036 0.000 2.670 378 Y HA 0.822 5.371 4.550 -0.000 0.000 0.334 378 Y C 0.819 176.709 175.900 -0.015 0.000 1.185 378 Y CA -0.488 57.603 58.100 -0.015 0.000 1.053 378 Y CB 1.288 39.741 38.460 -0.012 0.000 1.298 378 Y HN 0.824 nan 8.280 nan 0.000 0.459 379 G N 0.392 109.331 108.800 0.232 0.000 2.708 379 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.229 379 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.229 379 G C -0.300 174.625 174.900 0.041 0.000 1.236 379 G CA 0.731 45.899 45.100 0.114 0.000 0.749 379 G HN 1.114 nan 8.290 nan 0.000 0.515 380 Q N -0.158 119.641 119.800 -0.003 0.000 2.522 380 Q HA 0.554 4.894 4.340 -0.000 0.000 0.285 380 Q C 0.186 176.169 176.000 -0.029 0.000 0.982 380 Q CA -0.594 55.222 55.803 0.021 0.000 0.805 380 Q CB 1.007 29.760 28.738 0.025 0.000 1.457 380 Q HN 1.095 nan 8.270 nan 0.000 0.394 381 G N 0.731 109.540 108.800 0.014 0.000 2.699 381 G HA2 0.405 4.365 3.960 -0.000 0.000 0.246 381 G HA3 0.405 4.365 3.960 -0.000 0.000 0.246 381 G C -0.584 174.057 174.900 -0.431 0.000 1.219 381 G CA -0.411 44.513 45.100 -0.293 0.000 0.866 381 G HN 0.386 nan 8.290 nan 0.000 0.572 382 L N -0.006 120.748 121.223 -0.781 0.000 2.385 382 L HA 0.358 4.698 4.340 -0.000 0.000 0.273 382 L C -0.041 176.563 176.870 -0.443 0.000 0.990 382 L CA -0.587 53.992 54.840 -0.434 0.000 0.821 382 L CB 2.309 44.192 42.059 -0.292 0.000 1.279 382 L HN 0.620 nan 8.230 nan 0.000 0.412 383 E N 4.890 125.042 120.200 -0.080 0.000 2.229 383 E HA 0.391 4.741 4.350 -0.000 0.000 0.283 383 E C -1.115 175.500 176.600 0.025 0.000 1.030 383 E CA -0.258 56.203 56.400 0.101 0.000 0.836 383 E CB 0.974 30.787 29.700 0.189 0.000 1.068 383 E HN 0.561 nan 8.360 nan 0.000 0.401 384 K N 2.419 122.840 120.400 0.036 0.000 2.736 384 K HA 0.248 4.568 4.320 -0.000 0.000 0.290 384 K C -1.177 175.439 176.600 0.027 0.000 1.033 384 K CA -1.020 55.278 56.287 0.018 0.000 0.852 384 K CB 0.626 33.118 32.500 -0.012 0.000 1.494 384 K HN 0.099 nan 8.250 nan 0.000 0.378 385 E N 1.653 121.868 120.200 0.024 0.000 2.360 385 E HA 0.195 4.544 4.350 -0.000 0.000 0.269 385 E C -0.219 176.401 176.600 0.033 0.000 1.022 385 E CA 0.004 56.418 56.400 0.023 0.000 0.887 385 E CB 0.634 30.347 29.700 0.020 0.000 0.990 385 E HN 0.470 nan 8.360 nan 0.000 0.426 386 I N 4.362 124.951 120.570 0.031 0.000 2.782 386 I HA 0.141 4.311 4.170 -0.000 0.000 0.279 386 I C -1.962 174.181 176.117 0.044 0.000 1.247 386 I CA -1.707 59.631 61.300 0.063 0.000 1.062 386 I CB 1.355 39.397 38.000 0.071 0.000 1.421 386 I HN 0.134 nan 8.210 nan 0.000 0.558 387 P HA -0.014 nan 4.420 nan 0.000 0.222 387 P C -0.638 176.537 177.300 -0.209 0.000 1.153 387 P CA 1.296 64.362 63.100 -0.058 0.000 0.798 387 P CB 0.149 31.881 31.700 0.054 0.000 0.796 388 Y N -1.701 118.655 120.300 0.093 0.000 2.519 388 Y HA 0.641 5.191 4.550 -0.000 0.000 0.336 388 Y C -0.400 175.586 175.900 0.142 0.000 1.089 388 Y CA -1.152 57.017 58.100 0.115 0.000 1.025 388 Y CB 1.780 40.291 38.460 0.085 0.000 1.318 388 Y HN -0.245 nan 8.280 nan 0.000 0.452 389 A N 2.795 125.827 122.820 0.353 0.000 2.594 389 A HA 0.916 5.236 4.320 -0.000 0.000 0.291 389 A C -1.586 176.168 177.584 0.284 0.000 1.105 389 A CA -0.749 51.456 52.037 0.281 0.000 0.694 389 A CB 1.520 20.696 19.000 0.293 0.000 1.291 389 A HN 0.796 nan 8.150 nan 0.000 0.410 390 I N -1.813 118.846 120.570 0.148 0.000 2.892 390 I HA 0.875 5.045 4.170 -0.000 0.000 0.306 390 I C -0.505 175.658 176.117 0.077 0.000 1.078 390 I CA -0.667 60.715 61.300 0.137 0.000 1.032 390 I CB 2.326 40.363 38.000 0.061 0.000 1.229 390 I HN 0.514 nan 8.210 nan 0.000 0.435 391 S N 2.929 118.715 115.700 0.143 0.000 2.561 391 S HA 0.544 5.014 4.470 -0.000 0.000 0.303 391 S C -1.034 173.576 174.600 0.017 0.000 1.110 391 S CA -0.690 57.559 58.200 0.083 0.000 1.034 391 S CB 0.836 64.157 63.200 0.202 0.000 1.010 391 S HN 0.715 nan 8.310 nan 0.000 0.482 392 N N 2.369 121.030 118.700 -0.064 0.000 2.443 392 N HA 0.569 5.309 4.740 -0.000 0.000 0.295 392 N C -0.730 174.553 175.510 -0.378 0.000 1.076 392 N CA -0.361 52.544 53.050 -0.242 0.000 0.919 392 N CB 1.784 40.091 38.487 -0.298 0.000 1.176 392 N HN 0.718 nan 8.380 nan 0.000 0.487 393 T N -1.529 112.658 114.554 -0.613 0.000 2.921 393 T HA 0.670 5.020 4.350 -0.000 0.000 0.297 393 T C -1.010 172.994 174.700 -1.161 0.000 1.013 393 T CA -0.726 60.956 62.100 -0.696 0.000 0.990 393 T CB -0.023 68.731 68.868 -0.190 0.000 1.023 393 T HN 0.277 nan 8.240 nan 0.000 0.447 394 F N 1.593 120.921 119.950 -1.036 0.000 2.532 394 F HA 0.620 5.147 4.527 -0.000 0.000 0.365 394 F C 0.935 176.434 175.800 -0.503 0.000 1.112 394 F CA -1.037 56.603 58.000 -0.600 0.000 1.082 394 F CB 1.553 40.312 39.000 -0.402 0.000 1.319 394 F HN 0.971 nan 8.300 nan 0.000 0.457 395 G N 1.319 110.117 108.800 -0.004 0.000 2.476 395 G HA2 0.447 4.406 3.960 -0.000 0.000 0.286 395 G HA3 0.447 4.406 3.960 -0.000 0.000 0.286 395 G C -0.603 174.389 174.900 0.153 0.000 1.177 395 G CA -0.621 44.573 45.100 0.155 0.000 0.870 395 G HN 0.411 nan 8.290 nan 0.000 0.528 396 F N 0.608 120.719 119.950 0.267 0.000 2.579 396 F HA 0.227 4.754 4.527 -0.000 0.000 0.397 396 F C 1.673 177.616 175.800 0.240 0.000 1.027 396 F CA 2.021 60.165 58.000 0.239 0.000 1.217 396 F CB 0.540 39.695 39.000 0.258 0.000 0.986 396 F HN 0.843 nan 8.300 nan 0.000 0.551 397 G N 1.305 110.255 108.800 0.251 0.000 2.179 397 G HA2 0.072 4.032 3.960 -0.000 0.000 0.220 397 G HA3 0.072 4.032 3.960 -0.000 0.000 0.220 397 G C 0.881 175.622 174.900 -0.265 0.000 0.990 397 G CA -0.015 45.107 45.100 0.038 0.000 0.646 397 G HN 1.828 nan 8.290 nan 0.000 0.517 398 G N -0.694 108.025 108.800 -0.136 0.000 2.157 398 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.248 398 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.248 398 G C 0.110 174.925 174.900 -0.140 0.000 0.979 398 G CA 0.595 45.619 45.100 -0.127 0.000 0.650 398 G HN 1.334 nan 8.290 nan 0.000 0.529 399 H N 1.196 120.317 119.070 0.086 0.000 2.819 399 H HA 0.299 4.854 4.556 -0.000 0.000 0.303 399 H C -0.021 175.374 175.328 0.112 0.000 1.058 399 H CA 0.008 56.108 56.048 0.088 0.000 1.471 399 H CB 0.471 30.288 29.762 0.092 0.000 1.480 399 H HN 0.235 nan 8.280 nan 0.000 0.517 400 N N 1.761 120.592 118.700 0.219 0.000 2.372 400 N HA 0.502 5.242 4.740 -0.000 0.000 0.291 400 N C -0.709 174.922 175.510 0.202 0.000 1.024 400 N CA -0.502 52.717 53.050 0.281 0.000 0.873 400 N CB 2.529 41.142 38.487 0.210 0.000 1.206 400 N HN 0.649 nan 8.380 nan 0.000 0.486 401 A N 1.441 124.363 122.820 0.170 0.000 2.427 401 A HA 0.681 5.001 4.320 -0.000 0.000 0.298 401 A C -1.100 176.551 177.584 0.111 0.000 1.036 401 A CA -0.565 51.569 52.037 0.161 0.000 0.701 401 A CB 1.187 20.305 19.000 0.196 0.000 1.250 401 A HN 0.327 nan 8.150 nan 0.000 0.412 402 V N 3.131 123.134 119.914 0.149 0.000 2.623 402 V HA 0.475 4.595 4.120 -0.000 0.000 0.304 402 V C -0.561 175.592 176.094 0.098 0.000 1.054 402 V CA -0.341 62.016 62.300 0.096 0.000 0.882 402 V CB 1.646 33.522 31.823 0.088 0.000 1.002 402 V HN 0.807 nan 8.190 nan 0.000 0.424 403 L N 3.799 125.018 121.223 -0.008 0.000 2.317 403 L HA 0.882 5.222 4.340 -0.000 0.000 0.281 403 L C 0.213 176.874 176.870 -0.350 0.000 1.024 403 L CA -0.566 54.129 54.840 -0.241 0.000 0.810 403 L CB 1.918 43.743 42.059 -0.390 0.000 1.240 403 L HN 0.769 nan 8.230 nan 0.000 0.427 404 A N 3.569 126.122 122.820 -0.445 0.000 2.303 404 A HA 0.824 5.144 4.320 -0.000 0.000 0.320 404 A C -1.157 176.161 177.584 -0.442 0.000 1.192 404 A CA -0.312 51.564 52.037 -0.269 0.000 0.821 404 A CB 0.511 19.461 19.000 -0.083 0.000 1.188 404 A HN 0.490 nan 8.150 nan 0.000 0.492 405 F N 1.010 120.992 119.950 0.053 0.000 2.522 405 F HA 0.606 5.132 4.527 -0.000 0.000 0.324 405 F C 0.433 176.289 175.800 0.092 0.000 1.077 405 F CA -0.603 57.421 58.000 0.040 0.000 0.944 405 F CB 2.217 41.228 39.000 0.018 0.000 1.175 405 F HN 0.520 nan 8.300 nan 0.000 0.468 406 K N 2.344 122.858 120.400 0.190 0.000 2.292 406 K HA 0.423 4.743 4.320 -0.000 0.000 0.257 406 K C -0.386 176.191 176.600 -0.038 0.000 0.940 406 K CA -0.854 55.362 56.287 -0.118 0.000 0.811 406 K CB 1.500 33.927 32.500 -0.121 0.000 1.120 406 K HN 0.756 nan 8.250 nan 0.000 0.428 407 R N 3.538 123.945 120.500 -0.156 0.000 2.643 407 R HA -0.009 4.331 4.340 -0.000 0.000 0.270 407 R C -0.706 175.623 176.300 0.048 0.000 1.061 407 R CA -0.246 55.831 56.100 -0.038 0.000 1.107 407 R CB 0.533 30.776 30.300 -0.095 0.000 0.999 407 R HN 0.657 nan 8.270 nan 0.000 0.460 408 W N 5.377 126.623 121.300 -0.090 0.000 2.315 408 W HA 0.126 4.786 4.660 -0.000 0.000 0.316 408 W C -0.379 176.097 176.519 -0.071 0.000 1.211 408 W CA -0.076 57.228 57.345 -0.068 0.000 1.201 408 W CB 0.524 29.957 29.460 -0.046 0.000 1.184 408 W HN 0.845 nan 8.180 nan 0.000 0.544 409 E N 0.000 119.707 120.200 -0.821 0.000 2.725 409 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 409 E CA 0.000 56.049 56.400 -0.586 0.000 0.976 409 E CB 0.000 29.418 29.700 -0.470 0.000 0.812 409 E HN 0.000 nan 8.360 nan 0.000 0.440