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 3a4z_1_D DATA FIRST_RESID 2 DATA SEQUENCE ALTTTGTEQH DLFSGTFWQN PHPAYAALRA EDPVRKLALP DGPVWLLTRY DATA SEQUENCE ADVREAFVDP RLSKDWRHRL PEDQRADMPA TPTPMMILMD PPDHTRLRKL DATA SEQUENCE VGRSFTVRRM NELEPRITEI ADGLLAGLPT DGPVDLMREY AFQIPVQVIC DATA SEQUENCE ELLGLPAEDR DDFSAWSSVL VDDSPADDKN AAMGKLHGYL SDLLERKRTE DATA SEQUENCE PDDALLSSLL AVSDMDGDRL SQEELVAMAM LLLIAGHETT VNLIGNGVLA DATA SEQUENCE LLTHPDQRKL LAEDPSLISS AVEEFLRFDS PVSQAPIRFT AEDVTYSGVT DATA SEQUENCE IPAGEMVMLG LAAANRDADW MPEPDRLDIT RDASGGVFFG HGIHFCLGAQ DATA SEQUENCE LARLEGRVAI GRLFADRPEL ALAVGLDELV YRRSTLVRGL SRMPVTMGPR DATA SEQUENCE S 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.567 177.584 -0.028 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 3 L N 0.712 121.908 121.223 -0.044 0.000 2.399 3 L HA 0.884 5.226 4.340 0.003 0.000 0.265 3 L C 0.677 177.505 176.870 -0.070 0.000 1.089 3 L CA -0.401 54.407 54.840 -0.054 0.000 0.802 3 L CB 1.787 43.817 42.059 -0.050 0.000 1.180 3 L HN 0.806 nan 8.230 nan 0.000 0.454 4 T N -0.662 113.858 114.554 -0.056 0.000 2.894 4 T HA 0.396 4.748 4.350 0.003 0.000 0.309 4 T C -0.526 174.157 174.700 -0.028 0.000 1.208 4 T CA -0.513 61.558 62.100 -0.049 0.000 1.016 4 T CB 1.381 70.221 68.868 -0.047 0.000 1.192 4 T HN 0.809 nan 8.240 nan 0.000 0.491 5 T N 0.556 115.111 114.554 0.001 0.000 2.900 5 T HA 0.318 4.670 4.350 0.003 0.000 0.307 5 T C 1.165 175.864 174.700 -0.002 0.000 1.065 5 T CA 0.388 62.504 62.100 0.026 0.000 1.105 5 T CB 0.618 69.547 68.868 0.101 0.000 0.979 5 T HN 0.780 nan 8.240 nan 0.000 0.544 6 T N -1.318 113.240 114.554 0.007 0.000 3.132 6 T HA 0.484 4.836 4.350 0.003 0.000 0.274 6 T C 0.972 175.671 174.700 -0.001 0.000 1.011 6 T CA -0.199 61.898 62.100 -0.005 0.000 0.899 6 T CB 0.082 68.948 68.868 -0.002 0.000 1.089 6 T HN 0.887 nan 8.240 nan 0.000 0.543 7 G N 1.748 110.551 108.800 0.005 0.000 2.945 7 G HA2 0.427 4.389 3.960 0.003 0.000 0.156 7 G HA3 0.427 4.389 3.960 0.003 0.000 0.156 7 G C 1.022 175.917 174.900 -0.009 0.000 1.375 7 G CA 0.194 45.298 45.100 0.008 0.000 1.039 7 G HN 0.200 nan 8.290 nan 0.000 0.586 8 T N 0.809 115.363 114.554 -0.000 0.000 2.569 8 T HA -0.085 4.267 4.350 0.003 0.000 0.263 8 T C 0.965 175.640 174.700 -0.042 0.000 1.074 8 T CA 1.652 63.745 62.100 -0.010 0.000 1.176 8 T CB -0.683 68.189 68.868 0.007 0.000 0.863 8 T HN 0.685 nan 8.240 nan 0.000 0.410 9 E N 1.964 122.138 120.200 -0.044 0.000 2.283 9 E HA 0.413 4.764 4.350 0.003 0.000 0.278 9 E C -0.601 175.819 176.600 -0.300 0.000 1.027 9 E CA -0.627 55.679 56.400 -0.156 0.000 0.843 9 E CB 0.897 30.571 29.700 -0.045 0.000 1.062 9 E HN 0.352 nan 8.360 nan 0.000 0.401 10 Q N 2.671 122.206 119.800 -0.442 0.000 2.333 10 Q HA 0.221 4.563 4.340 0.003 0.000 0.265 10 Q C -1.360 174.303 176.000 -0.563 0.000 0.989 10 Q CA -0.563 55.028 55.803 -0.353 0.000 0.842 10 Q CB 1.051 29.679 28.738 -0.184 0.000 1.262 10 Q HN 0.583 nan 8.270 nan 0.000 0.451 11 H N 2.220 121.263 119.070 -0.045 0.000 2.637 11 H HA 0.269 4.827 4.556 0.003 0.000 0.363 11 H C -0.968 174.311 175.328 -0.081 0.000 1.131 11 H CA -0.928 55.082 56.048 -0.063 0.000 1.183 11 H CB 1.596 31.314 29.762 -0.074 0.000 1.637 11 H HN 0.650 nan 8.280 nan 0.000 0.531 12 D N 2.271 122.687 120.400 0.028 0.000 2.455 12 D HA 0.119 4.761 4.640 0.003 0.000 0.241 12 D C 0.112 176.327 176.300 -0.143 0.000 1.138 12 D CA 0.219 54.183 54.000 -0.060 0.000 0.877 12 D CB 1.121 41.884 40.800 -0.061 0.000 1.187 12 D HN 0.260 nan 8.370 nan 0.000 0.451 13 L N 3.138 124.176 121.223 -0.309 0.000 2.319 13 L HA 0.263 4.605 4.340 0.003 0.000 0.281 13 L C -0.108 176.239 176.870 -0.871 0.000 1.005 13 L CA -0.815 53.579 54.840 -0.742 0.000 0.828 13 L CB 0.644 42.472 42.059 -0.385 0.000 1.227 13 L HN 0.385 nan 8.230 nan 0.000 0.415 14 F N 1.397 120.306 119.950 -1.735 0.000 3.074 14 F HA -0.290 4.239 4.527 0.003 0.000 0.287 14 F C 0.527 175.940 175.800 -0.644 0.000 0.932 14 F CA 0.860 58.026 58.000 -1.389 0.000 0.995 14 F CB -2.118 36.440 39.000 -0.737 0.000 0.966 14 F HN 0.640 nan 8.300 nan 0.000 0.721 15 S N -2.812 112.540 115.700 -0.580 0.000 2.645 15 S HA 0.706 5.178 4.470 0.003 0.000 0.268 15 S C 0.266 174.807 174.600 -0.099 0.000 1.110 15 S CA -0.259 57.910 58.200 -0.052 0.000 0.823 15 S CB 1.292 64.521 63.200 0.048 0.000 1.091 15 S HN 1.860 nan 8.310 nan 0.000 0.466 16 G N 1.717 110.580 108.800 0.105 0.000 2.611 16 G HA2 -0.356 3.606 3.960 0.003 0.000 0.301 16 G HA3 -0.356 3.606 3.960 0.003 0.000 0.301 16 G C 1.173 176.114 174.900 0.068 0.000 1.233 16 G CA 1.935 47.083 45.100 0.080 0.000 0.993 16 G HN 2.405 nan 8.290 nan 0.000 0.553 17 T N -1.540 113.023 114.554 0.014 0.000 2.929 17 T HA -0.010 4.342 4.350 0.003 0.000 0.271 17 T C 2.097 176.735 174.700 -0.104 0.000 1.085 17 T CA 2.091 64.183 62.100 -0.013 0.000 1.125 17 T CB -0.210 68.648 68.868 -0.016 0.000 0.874 17 T HN 0.929 nan 8.240 nan 0.000 0.494 18 F N 0.967 120.692 119.950 -0.376 0.000 2.126 18 F HA -0.003 4.526 4.527 0.003 0.000 0.299 18 F C 1.852 177.305 175.800 -0.579 0.000 1.096 18 F CA 1.019 58.642 58.000 -0.629 0.000 1.255 18 F CB -0.556 37.884 39.000 -0.934 0.000 0.997 18 F HN 0.192 nan 8.300 nan 0.000 0.479 19 W N 0.067 121.377 121.300 0.017 0.000 2.342 19 W HA -0.206 4.456 4.660 0.004 0.000 0.297 19 W C 2.568 178.952 176.519 -0.225 0.000 1.213 19 W CA 0.942 58.264 57.345 -0.039 0.000 1.251 19 W CB -0.668 28.859 29.460 0.112 0.000 1.136 19 W HN 0.094 nan 8.180 nan 0.000 0.526 20 Q N 0.338 120.148 119.800 0.015 0.000 2.062 20 Q HA -0.075 4.266 4.340 0.003 0.000 0.196 20 Q C 0.243 176.057 176.000 -0.311 0.000 0.967 20 Q CA 1.198 56.980 55.803 -0.035 0.000 0.832 20 Q CB -0.054 28.727 28.738 0.073 0.000 0.899 20 Q HN -0.036 nan 8.270 nan 0.000 0.442 21 N N -0.538 117.946 118.700 -0.360 0.000 2.621 21 N HA 0.208 4.949 4.740 0.003 0.000 0.271 21 N C -2.585 172.514 175.510 -0.686 0.000 1.181 21 N CA -1.601 51.190 53.050 -0.431 0.000 0.805 21 N CB 1.786 40.149 38.487 -0.207 0.000 1.351 21 N HN -0.035 nan 8.380 nan 0.000 0.539 22 P HA 0.027 nan 4.420 nan 0.000 0.245 22 P C 0.690 177.158 177.300 -1.387 0.000 1.206 22 P CA 0.642 62.688 63.100 -1.756 0.000 0.781 22 P CB 0.405 30.732 31.700 -2.288 0.000 0.994 23 H N 0.567 119.244 119.070 -0.655 0.000 2.363 23 H HA 0.051 4.609 4.556 0.003 0.000 0.301 23 H C -0.516 174.639 175.328 -0.288 0.000 1.074 23 H CA 1.525 57.377 56.048 -0.327 0.000 1.354 23 H CB -1.991 27.634 29.762 -0.228 0.000 1.397 23 H HN 0.235 nan 8.280 nan 0.000 0.516 24 P HA -0.119 nan 4.420 nan 0.000 0.215 24 P C 1.643 178.566 177.300 -0.628 0.000 1.157 24 P CA 1.891 64.744 63.100 -0.412 0.000 0.868 24 P CB -0.133 31.285 31.700 -0.470 0.000 0.788 25 A N -1.376 121.062 122.820 -0.637 0.000 1.883 25 A HA -0.255 4.066 4.320 0.003 0.000 0.217 25 A C 2.103 179.613 177.584 -0.123 0.000 1.186 25 A CA 1.676 53.490 52.037 -0.372 0.000 0.624 25 A CB -1.980 16.875 19.000 -0.241 0.000 0.822 25 A HN 0.108 nan 8.150 nan 0.000 0.444 26 Y N -0.212 120.003 120.300 -0.142 0.000 2.181 26 Y HA -0.087 4.464 4.550 0.003 0.000 0.288 26 Y C 2.990 178.875 175.900 -0.025 0.000 1.146 26 Y CA 0.318 58.384 58.100 -0.057 0.000 1.164 26 Y CB -1.173 37.252 38.460 -0.058 0.000 0.982 26 Y HN 0.341 nan 8.280 nan 0.000 0.515 27 A N -0.048 122.843 122.820 0.117 0.000 1.908 27 A HA -0.129 4.193 4.320 0.003 0.000 0.218 27 A C 2.500 180.121 177.584 0.061 0.000 1.181 27 A CA 2.061 54.139 52.037 0.068 0.000 0.627 27 A CB -1.161 17.851 19.000 0.020 0.000 0.818 27 A HN 0.377 nan 8.150 nan 0.000 0.445 28 A N -0.560 122.284 122.820 0.040 0.000 1.968 28 A HA 0.084 4.406 4.320 0.003 0.000 0.217 28 A C 2.147 179.789 177.584 0.096 0.000 1.169 28 A CA 1.263 53.353 52.037 0.089 0.000 0.638 28 A CB -0.489 18.615 19.000 0.173 0.000 0.812 28 A HN 0.466 nan 8.150 nan 0.000 0.446 29 L N -0.977 120.309 121.223 0.103 0.000 2.005 29 L HA -0.184 4.158 4.340 0.003 0.000 0.207 29 L C 2.855 179.782 176.870 0.095 0.000 1.072 29 L CA 1.492 56.396 54.840 0.107 0.000 0.744 29 L CB -0.526 41.616 42.059 0.137 0.000 0.895 29 L HN 0.331 nan 8.230 nan 0.000 0.433 30 R N -0.089 120.468 120.500 0.095 0.000 2.103 30 R HA -0.193 4.149 4.340 0.003 0.000 0.242 30 R C 2.345 178.691 176.300 0.078 0.000 1.142 30 R CA 1.529 57.679 56.100 0.083 0.000 0.960 30 R CB -0.539 29.812 30.300 0.086 0.000 0.858 30 R HN 0.402 nan 8.270 nan 0.000 0.439 31 A N 0.824 123.689 122.820 0.075 0.000 1.897 31 A HA -0.107 4.215 4.320 0.003 0.000 0.215 31 A C 1.710 179.333 177.584 0.064 0.000 1.181 31 A CA 1.143 53.220 52.037 0.067 0.000 0.620 31 A CB 0.071 19.109 19.000 0.062 0.000 0.821 31 A HN 0.167 nan 8.150 nan 0.000 0.443 32 E N -1.582 118.659 120.200 0.068 0.000 2.399 32 E HA 0.082 4.434 4.350 0.003 0.000 0.205 32 E C -0.564 176.075 176.600 0.065 0.000 0.906 32 E CA 0.284 56.721 56.400 0.062 0.000 0.998 32 E CB 0.532 30.267 29.700 0.059 0.000 1.002 32 E HN 0.411 nan 8.360 nan 0.000 0.501 33 D N 0.454 120.898 120.400 0.074 0.000 2.846 33 D HA 0.123 4.765 4.640 0.003 0.000 0.279 33 D C -2.140 174.217 176.300 0.094 0.000 1.222 33 D CA -1.510 52.538 54.000 0.080 0.000 0.769 33 D CB 1.039 41.881 40.800 0.068 0.000 1.299 33 D HN -0.148 nan 8.370 nan 0.000 0.537 34 P HA 0.020 nan 4.420 nan 0.000 0.237 34 P C 0.172 177.532 177.300 0.101 0.000 1.178 34 P CA 0.321 63.475 63.100 0.089 0.000 0.766 34 P CB 0.601 32.349 31.700 0.081 0.000 0.876 35 V N 0.830 120.833 119.914 0.148 0.000 2.467 35 V HA 0.293 4.415 4.120 0.003 0.000 0.260 35 V C -0.030 176.263 176.094 0.331 0.000 0.963 35 V CA -0.800 61.636 62.300 0.227 0.000 0.856 35 V CB 0.929 32.884 31.823 0.220 0.000 1.087 35 V HN -0.063 nan 8.190 nan 0.000 0.467 36 R N 3.001 123.642 120.500 0.235 0.000 2.229 36 R HA 0.446 4.788 4.340 0.003 0.000 0.328 36 R C -0.301 175.957 176.300 -0.070 0.000 1.009 36 R CA -0.306 55.851 56.100 0.094 0.000 0.864 36 R CB 0.890 31.227 30.300 0.062 0.000 1.085 36 R HN 0.528 nan 8.270 nan 0.000 0.453 37 K N 5.573 125.706 120.400 -0.445 0.000 2.276 37 K HA 0.238 4.560 4.320 0.003 0.000 0.285 37 K C -0.971 175.346 176.600 -0.473 0.000 1.062 37 K CA -0.387 55.333 56.287 -0.944 0.000 0.918 37 K CB 0.443 32.038 32.500 -1.508 0.000 1.055 37 K HN 0.600 nan 8.250 nan 0.000 0.477 38 L N 3.669 124.667 121.223 -0.375 0.000 2.287 38 L HA 0.373 4.715 4.340 0.003 0.000 0.287 38 L C 0.196 176.936 176.870 -0.217 0.000 1.022 38 L CA -0.767 53.940 54.840 -0.222 0.000 0.814 38 L CB 1.767 43.732 42.059 -0.156 0.000 1.217 38 L HN 0.646 nan 8.230 nan 0.000 0.420 39 A N 5.866 128.586 122.820 -0.167 0.000 2.981 39 A HA 0.432 4.754 4.320 0.003 0.000 0.280 39 A C 0.094 177.618 177.584 -0.100 0.000 1.743 39 A CA -0.158 51.803 52.037 -0.127 0.000 1.430 39 A CB -0.682 18.258 19.000 -0.099 0.000 1.085 39 A HN 0.648 nan 8.150 nan 0.000 0.597 40 L N 2.536 123.691 121.223 -0.114 0.000 2.439 40 L HA 0.302 4.644 4.340 0.003 0.000 0.259 40 L C -0.788 176.047 176.870 -0.060 0.000 1.129 40 L CA -2.018 52.762 54.840 -0.100 0.000 0.803 40 L CB 0.971 42.937 42.059 -0.155 0.000 1.161 40 L HN 0.361 nan 8.230 nan 0.000 0.462 41 P HA -0.193 nan 4.420 nan 0.000 0.216 41 P C 0.440 177.733 177.300 -0.012 0.000 1.153 41 P CA 1.379 64.470 63.100 -0.016 0.000 0.858 41 P CB 0.116 31.816 31.700 -0.001 0.000 0.789 42 D N -0.233 120.160 120.400 -0.011 0.000 2.371 42 D HA 0.187 4.829 4.640 0.003 0.000 0.234 42 D C 1.380 177.683 176.300 0.004 0.000 1.049 42 D CA 1.081 55.084 54.000 0.005 0.000 0.907 42 D CB -0.028 40.783 40.800 0.019 0.000 0.891 42 D HN 0.283 nan 8.370 nan 0.000 0.531 43 G N 1.185 109.975 108.800 -0.017 0.000 2.384 43 G HA2 -0.117 3.845 3.960 0.003 0.000 0.668 43 G HA3 -0.117 3.845 3.960 0.003 0.000 0.668 43 G C -2.919 171.949 174.900 -0.054 0.000 1.280 43 G CA -1.092 43.995 45.100 -0.022 0.000 0.992 43 G HN -0.125 nan 8.290 nan 0.000 0.512 44 P HA 0.489 nan 4.420 nan 0.000 0.271 44 P C -0.427 176.802 177.300 -0.117 0.000 1.216 44 P CA -0.017 62.998 63.100 -0.141 0.000 0.771 44 P CB 1.507 33.109 31.700 -0.163 0.000 0.864 45 V N 3.904 123.708 119.914 -0.183 0.000 2.638 45 V HA 0.318 4.440 4.120 0.003 0.000 0.306 45 V C -0.412 175.595 176.094 -0.145 0.000 1.052 45 V CA -0.538 61.702 62.300 -0.100 0.000 0.885 45 V CB 1.606 33.358 31.823 -0.118 0.000 0.999 45 V HN 0.526 nan 8.190 nan 0.000 0.424 46 W N 4.320 125.576 121.300 -0.073 0.000 2.313 46 W HA 0.713 5.375 4.660 0.002 0.000 0.328 46 W C -0.356 176.117 176.519 -0.077 0.000 1.197 46 W CA -0.422 56.888 57.345 -0.058 0.000 1.235 46 W CB 1.114 30.546 29.460 -0.046 0.000 1.158 46 W HN 0.388 nan 8.180 nan 0.000 0.578 47 L N 3.842 125.182 121.223 0.196 0.000 2.404 47 L HA 0.526 4.868 4.340 0.003 0.000 0.272 47 L C -1.567 175.345 176.870 0.071 0.000 0.980 47 L CA -0.783 54.116 54.840 0.098 0.000 0.836 47 L CB 0.719 42.850 42.059 0.121 0.000 1.238 47 L HN 0.170 nan 8.230 nan 0.000 0.408 48 L N 4.370 125.570 121.223 -0.037 0.000 2.289 48 L HA 0.609 4.951 4.340 0.003 0.000 0.285 48 L C 1.219 178.033 176.870 -0.094 0.000 1.049 48 L CA 0.344 55.119 54.840 -0.109 0.000 0.804 48 L CB 1.485 43.363 42.059 -0.303 0.000 1.195 48 L HN 0.839 nan 8.230 nan 0.000 0.428 49 T N -1.294 113.230 114.554 -0.051 0.000 2.958 49 T HA 0.278 4.630 4.350 0.003 0.000 0.256 49 T C 0.888 175.579 174.700 -0.015 0.000 0.983 49 T CA -0.335 61.739 62.100 -0.043 0.000 0.924 49 T CB 0.142 69.017 68.868 0.011 0.000 1.136 49 T HN 0.293 nan 8.240 nan 0.000 0.506 50 R N 0.611 121.113 120.500 0.002 0.000 2.390 50 R HA 0.384 4.726 4.340 0.003 0.000 0.291 50 R C 0.672 176.995 176.300 0.038 0.000 1.070 50 R CA -0.498 55.634 56.100 0.053 0.000 1.014 50 R CB 0.504 30.845 30.300 0.068 0.000 1.007 50 R HN 0.205 nan 8.270 nan 0.000 0.466 51 Y N 3.035 123.311 120.300 -0.040 0.000 2.081 51 Y HA -0.356 4.197 4.550 0.004 0.000 0.280 51 Y C 2.084 177.910 175.900 -0.123 0.000 1.163 51 Y CA 2.411 60.437 58.100 -0.124 0.000 1.135 51 Y CB -0.157 38.219 38.460 -0.140 0.000 0.970 51 Y HN 0.778 nan 8.280 nan 0.000 0.498 52 A N 0.051 122.928 122.820 0.094 0.000 1.908 52 A HA -0.224 4.098 4.320 0.003 0.000 0.218 52 A C 1.909 179.471 177.584 -0.036 0.000 1.181 52 A CA 2.113 54.164 52.037 0.024 0.000 0.627 52 A CB -0.909 18.163 19.000 0.121 0.000 0.818 52 A HN 0.586 nan 8.150 nan 0.000 0.445 53 D N -0.384 120.006 120.400 -0.017 0.000 2.097 53 D HA -0.095 4.547 4.640 0.003 0.000 0.195 53 D C 2.094 178.255 176.300 -0.231 0.000 0.989 53 D CA 1.407 55.379 54.000 -0.046 0.000 0.827 53 D CB -0.525 40.218 40.800 -0.095 0.000 0.966 53 D HN 0.207 nan 8.370 nan 0.000 0.456 54 V N 1.472 121.233 119.914 -0.256 0.000 2.261 54 V HA -0.224 3.898 4.120 0.003 0.000 0.246 54 V C 2.554 178.578 176.094 -0.117 0.000 1.047 54 V CA 1.429 63.569 62.300 -0.267 0.000 1.015 54 V CB -0.303 31.383 31.823 -0.228 0.000 0.642 54 V HN 0.131 nan 8.190 nan 0.000 0.446 55 R N -0.140 120.217 120.500 -0.238 0.000 2.112 55 R HA -0.231 4.111 4.340 0.003 0.000 0.242 55 R C 2.264 178.643 176.300 0.132 0.000 1.137 55 R CA 2.003 58.003 56.100 -0.167 0.000 0.944 55 R CB -0.734 29.247 30.300 -0.531 0.000 0.857 55 R HN 0.640 nan 8.270 nan 0.000 0.435 56 E N 0.041 120.273 120.200 0.054 0.000 2.031 56 E HA -0.134 4.218 4.350 0.003 0.000 0.193 56 E C 1.930 178.615 176.600 0.141 0.000 0.994 56 E CA 1.144 57.618 56.400 0.123 0.000 0.800 56 E CB -0.029 29.762 29.700 0.151 0.000 0.752 56 E HN 0.319 nan 8.360 nan 0.000 0.447 57 A N 0.426 123.288 122.820 0.069 0.000 1.940 57 A HA -0.193 4.129 4.320 0.003 0.000 0.219 57 A C 1.953 179.510 177.584 -0.044 0.000 1.176 57 A CA 1.215 53.239 52.037 -0.021 0.000 0.631 57 A CB -0.982 17.798 19.000 -0.366 0.000 0.814 57 A HN 0.350 nan 8.150 nan 0.000 0.446 58 F N -0.762 119.175 119.950 -0.021 0.000 2.202 58 F HA -0.185 4.343 4.527 0.003 0.000 0.301 58 F C 2.449 178.239 175.800 -0.017 0.000 1.082 58 F CA 1.642 59.641 58.000 -0.001 0.000 1.313 58 F CB 0.092 39.124 39.000 0.054 0.000 1.024 58 F HN 0.216 nan 8.300 nan 0.000 0.495 59 V N -1.490 118.529 119.914 0.175 0.000 2.825 59 V HA -0.018 4.104 4.120 0.003 0.000 0.246 59 V C 0.657 176.779 176.094 0.046 0.000 1.068 59 V CA 0.588 62.920 62.300 0.054 0.000 1.088 59 V CB -0.340 31.468 31.823 -0.024 0.000 0.733 59 V HN 0.019 nan 8.190 nan 0.000 0.468 60 D N 2.567 123.003 120.400 0.060 0.000 2.426 60 D HA 0.079 4.721 4.640 0.003 0.000 0.261 60 D C -1.415 174.900 176.300 0.026 0.000 1.245 60 D CA -1.539 52.484 54.000 0.038 0.000 0.917 60 D CB 1.608 42.440 40.800 0.054 0.000 1.123 60 D HN 0.367 nan 8.370 nan 0.000 0.508 61 P HA -0.045 nan 4.420 nan 0.000 0.237 61 P C 0.885 178.182 177.300 -0.005 0.000 1.178 61 P CA 0.375 63.486 63.100 0.018 0.000 0.766 61 P CB 0.286 31.998 31.700 0.019 0.000 0.876 62 R N -0.727 119.757 120.500 -0.026 0.000 2.237 62 R HA 0.072 4.414 4.340 0.003 0.000 0.219 62 R C 0.667 176.923 176.300 -0.074 0.000 1.080 62 R CA 0.349 56.407 56.100 -0.070 0.000 0.995 62 R CB -0.181 30.075 30.300 -0.074 0.000 0.875 62 R HN 0.170 nan 8.270 nan 0.000 0.462 63 L N 1.713 122.919 121.223 -0.028 0.000 2.352 63 L HA 0.210 4.552 4.340 0.003 0.000 0.272 63 L C 0.056 176.931 176.870 0.010 0.000 1.109 63 L CA 0.224 55.049 54.840 -0.025 0.000 0.952 63 L CB 0.756 42.790 42.059 -0.042 0.000 1.314 63 L HN -0.011 nan 8.230 nan 0.000 0.427 64 S N 2.214 117.949 115.700 0.059 0.000 2.654 64 S HA 0.351 4.823 4.470 0.003 0.000 0.283 64 S C 1.110 175.871 174.600 0.268 0.000 1.180 64 S CA -0.550 57.744 58.200 0.157 0.000 1.021 64 S CB 1.188 64.495 63.200 0.179 0.000 1.018 64 S HN 0.443 nan 8.310 nan 0.000 0.532 65 K N 1.405 121.951 120.400 0.244 0.000 2.426 65 K HA 0.131 4.453 4.320 0.003 0.000 0.193 65 K C -0.135 176.693 176.600 0.380 0.000 1.028 65 K CA 0.160 56.611 56.287 0.272 0.000 1.047 65 K CB -0.324 32.220 32.500 0.073 0.000 0.821 65 K HN 0.569 nan 8.250 nan 0.000 0.513 66 D N 1.499 122.093 120.400 0.323 0.000 2.359 66 D HA -0.056 4.586 4.640 0.003 0.000 0.250 66 D C 1.166 177.389 176.300 -0.128 0.000 1.264 66 D CA -0.398 53.695 54.000 0.154 0.000 0.911 66 D CB 0.323 41.194 40.800 0.118 0.000 1.056 66 D HN 0.114 nan 8.370 nan 0.000 0.499 67 W N 5.318 126.185 121.300 -0.722 0.000 2.424 67 W HA -0.104 4.558 4.660 0.003 0.000 0.264 67 W C 0.884 176.940 176.519 -0.772 0.000 1.229 67 W CA 0.151 56.663 57.345 -1.389 0.000 1.208 67 W CB -1.011 28.023 29.460 -0.710 0.000 1.127 67 W HN 0.377 nan 8.180 nan 0.000 0.588 68 R N -0.207 120.063 120.500 -0.384 0.000 2.280 68 R HA -0.074 4.268 4.340 0.003 0.000 0.207 68 R C 1.628 177.706 176.300 -0.370 0.000 1.043 68 R CA 1.228 57.064 56.100 -0.440 0.000 1.006 68 R CB -0.737 29.368 30.300 -0.324 0.000 0.885 68 R HN 0.363 nan 8.270 nan 0.000 0.467 69 H N 0.019 118.982 119.070 -0.179 0.000 2.518 69 H HA -0.010 4.548 4.556 0.003 0.000 0.289 69 H C 1.704 177.005 175.328 -0.045 0.000 1.051 69 H CA 0.946 56.953 56.048 -0.068 0.000 1.280 69 H CB 0.156 29.935 29.762 0.029 0.000 1.380 69 H HN 0.081 nan 8.280 nan 0.000 0.566 70 R N 0.620 121.106 120.500 -0.024 0.000 2.235 70 R HA 0.018 4.360 4.340 0.003 0.000 0.213 70 R C 0.374 176.649 176.300 -0.041 0.000 1.059 70 R CA 0.403 56.512 56.100 0.016 0.000 0.997 70 R CB 0.132 30.432 30.300 0.000 0.000 0.884 70 R HN 0.264 nan 8.270 nan 0.000 0.462 71 L N -0.937 120.221 121.223 -0.109 0.000 2.322 71 L HA 0.664 5.006 4.340 0.003 0.000 0.269 71 L C -2.816 174.010 176.870 -0.073 0.000 1.012 71 L CA -2.797 51.978 54.840 -0.107 0.000 0.815 71 L CB 0.719 42.676 42.059 -0.171 0.000 1.295 71 L HN -0.295 nan 8.230 nan 0.000 0.438 72 P HA 0.023 nan 4.420 nan 0.000 0.265 72 P C 0.611 177.885 177.300 -0.045 0.000 1.187 72 P CA 0.330 63.408 63.100 -0.037 0.000 0.766 72 P CB 0.618 32.296 31.700 -0.036 0.000 0.820 73 E N 2.089 122.274 120.200 -0.024 0.000 2.136 73 E HA -0.307 4.045 4.350 0.003 0.000 0.202 73 E C 1.033 177.610 176.600 -0.037 0.000 1.019 73 E CA 2.213 58.599 56.400 -0.024 0.000 0.819 73 E CB -0.109 29.589 29.700 -0.003 0.000 0.739 73 E HN 0.606 nan 8.360 nan 0.000 0.458 74 D N -0.890 119.489 120.400 -0.034 0.000 2.317 74 D HA -0.141 4.501 4.640 0.003 0.000 0.211 74 D C 1.426 177.699 176.300 -0.045 0.000 0.966 74 D CA 0.601 54.581 54.000 -0.034 0.000 0.876 74 D CB -0.204 40.580 40.800 -0.026 0.000 0.927 74 D HN 0.260 nan 8.370 nan 0.000 0.519 75 Q N -0.299 119.465 119.800 -0.060 0.000 2.451 75 Q HA 0.150 4.492 4.340 0.003 0.000 0.206 75 Q C 1.751 177.695 176.000 -0.093 0.000 0.947 75 Q CA 0.169 55.927 55.803 -0.075 0.000 0.937 75 Q CB 0.200 28.886 28.738 -0.087 0.000 1.025 75 Q HN 0.339 nan 8.270 nan 0.000 0.511 76 R N 0.441 120.883 120.500 -0.097 0.000 2.075 76 R HA 0.037 4.379 4.340 0.003 0.000 0.226 76 R C 2.315 178.565 176.300 -0.085 0.000 1.114 76 R CA 0.960 56.988 56.100 -0.119 0.000 0.972 76 R CB -0.320 29.893 30.300 -0.144 0.000 0.869 76 R HN 0.131 nan 8.270 nan 0.000 0.437 77 A N 1.743 124.527 122.820 -0.060 0.000 1.948 77 A HA -0.202 4.120 4.320 0.003 0.000 0.220 77 A C 1.138 178.704 177.584 -0.031 0.000 1.177 77 A CA 1.941 53.955 52.037 -0.038 0.000 0.636 77 A CB -0.310 18.673 19.000 -0.028 0.000 0.815 77 A HN 0.188 nan 8.150 nan 0.000 0.449 78 D N -1.088 119.289 120.400 -0.038 0.000 2.328 78 D HA 0.151 4.792 4.640 0.003 0.000 0.221 78 D C 0.245 176.523 176.300 -0.035 0.000 1.072 78 D CA 0.218 54.199 54.000 -0.031 0.000 0.850 78 D CB 0.111 40.892 40.800 -0.031 0.000 0.922 78 D HN 0.277 nan 8.370 nan 0.000 0.516 79 M N 1.358 120.928 119.600 -0.049 0.000 2.478 79 M HA 0.342 4.824 4.480 0.003 0.000 0.327 79 M C -2.339 173.974 176.300 0.021 0.000 1.187 79 M CA -2.342 52.927 55.300 -0.051 0.000 1.022 79 M CB 1.193 33.705 32.600 -0.146 0.000 1.629 79 M HN -0.291 nan 8.290 nan 0.000 0.461 80 P HA 0.174 nan 4.420 nan 0.000 0.271 80 P C 0.093 177.579 177.300 0.311 0.000 1.216 80 P CA -0.046 63.156 63.100 0.171 0.000 0.776 80 P CB 0.378 32.197 31.700 0.199 0.000 0.881 81 A N 3.131 126.069 122.820 0.196 0.000 2.076 81 A HA -0.029 4.293 4.320 0.003 0.000 0.220 81 A C 1.075 178.727 177.584 0.113 0.000 1.160 81 A CA 1.866 54.014 52.037 0.186 0.000 0.653 81 A CB -0.966 18.082 19.000 0.080 0.000 0.801 81 A HN 0.744 nan 8.150 nan 0.000 0.455 82 T N -6.505 108.026 114.554 -0.038 0.000 2.868 82 T HA 0.535 4.887 4.350 0.003 0.000 0.306 82 T C -2.501 171.833 174.700 -0.611 0.000 1.224 82 T CA -0.848 60.919 62.100 -0.556 0.000 1.012 82 T CB 2.030 70.717 68.868 -0.302 0.000 1.221 82 T HN -0.073 nan 8.240 nan 0.000 0.499 83 P HA 0.173 nan 4.420 nan 0.000 0.225 83 P C 0.126 177.280 177.300 -0.244 0.000 1.156 83 P CA 0.532 63.288 63.100 -0.573 0.000 0.787 83 P CB 0.101 31.400 31.700 -0.668 0.000 0.802 84 T N 1.183 115.595 114.554 -0.236 0.000 3.172 84 T HA 0.245 4.596 4.350 0.003 0.000 0.320 84 T C -2.952 171.691 174.700 -0.094 0.000 1.085 84 T CA -1.031 61.002 62.100 -0.112 0.000 1.052 84 T CB 2.464 71.289 68.868 -0.072 0.000 1.107 84 T HN -0.115 nan 8.240 nan 0.000 0.458 85 P HA 0.142 nan 4.420 nan 0.000 0.238 85 P C -0.319 176.979 177.300 -0.003 0.000 1.714 85 P CA -0.139 62.948 63.100 -0.022 0.000 0.908 85 P CB -0.454 31.248 31.700 0.003 0.000 1.893 86 M N 1.249 120.840 119.600 -0.014 0.000 2.211 86 M HA 0.230 4.712 4.480 0.003 0.000 0.356 86 M C 2.139 178.467 176.300 0.045 0.000 1.216 86 M CA -0.323 54.983 55.300 0.010 0.000 1.134 86 M CB 1.283 33.882 32.600 -0.002 0.000 1.564 86 M HN 0.044 nan 8.290 nan 0.000 0.463 87 M N 2.236 121.885 119.600 0.082 0.000 2.346 87 M HA -0.117 4.364 4.480 0.003 0.000 0.263 87 M C 1.438 177.926 176.300 0.313 0.000 1.064 87 M CA 1.848 57.258 55.300 0.184 0.000 1.083 87 M CB -0.484 32.196 32.600 0.134 0.000 1.399 87 M HN 0.754 nan 8.290 nan 0.000 0.435 88 I N 0.980 121.658 120.570 0.180 0.000 3.001 88 I HA -0.087 4.085 4.170 0.003 0.000 0.268 88 I C 1.068 177.161 176.117 -0.041 0.000 1.267 88 I CA 0.677 62.035 61.300 0.097 0.000 1.472 88 I CB 0.145 38.167 38.000 0.038 0.000 1.089 88 I HN 0.394 nan 8.210 nan 0.000 0.468 89 L N 0.439 121.670 121.223 0.014 0.000 2.769 89 L HA 0.322 4.664 4.340 0.003 0.000 0.240 89 L C 0.045 176.934 176.870 0.032 0.000 1.163 89 L CA -0.111 54.716 54.840 -0.021 0.000 0.962 89 L CB -0.129 41.864 42.059 -0.110 0.000 1.258 89 L HN 0.152 nan 8.230 nan 0.000 0.513 90 M N -0.882 118.794 119.600 0.127 0.000 2.662 90 M HA 0.414 4.896 4.480 0.003 0.000 0.310 90 M C -1.076 175.359 176.300 0.226 0.000 1.204 90 M CA -0.693 54.708 55.300 0.168 0.000 0.891 90 M CB 2.349 35.062 32.600 0.188 0.000 1.732 90 M HN -0.160 nan 8.290 nan 0.000 0.467 91 D N 1.417 121.926 120.400 0.181 0.000 2.385 91 D HA 0.497 5.139 4.640 0.003 0.000 0.254 91 D C -2.391 174.004 176.300 0.159 0.000 1.053 91 D CA -1.249 52.846 54.000 0.159 0.000 0.992 91 D CB 0.578 41.464 40.800 0.142 0.000 1.145 91 D HN 0.174 nan 8.370 nan 0.000 0.523 92 P HA 0.045 nan 4.420 nan 0.000 0.267 92 P C -1.655 175.695 177.300 0.082 0.000 1.201 92 P CA -0.665 62.501 63.100 0.110 0.000 0.775 92 P CB -0.073 31.674 31.700 0.078 0.000 0.854 93 P HA -0.049 nan 4.420 nan 0.000 0.235 93 P C 0.551 177.882 177.300 0.051 0.000 1.177 93 P CA 0.913 64.043 63.100 0.051 0.000 0.785 93 P CB 0.252 31.972 31.700 0.033 0.000 0.885 94 D N -0.630 119.809 120.400 0.065 0.000 2.117 94 D HA -0.188 4.454 4.640 0.003 0.000 0.197 94 D C 1.965 178.301 176.300 0.060 0.000 0.987 94 D CA 1.023 55.056 54.000 0.055 0.000 0.829 94 D CB -0.931 39.905 40.800 0.060 0.000 0.961 94 D HN 0.361 nan 8.370 nan 0.000 0.460 95 H N 0.970 120.055 119.070 0.025 0.000 2.289 95 H HA -0.131 4.427 4.556 0.003 0.000 0.296 95 H C 1.513 176.827 175.328 -0.023 0.000 1.091 95 H CA 2.210 58.265 56.048 0.011 0.000 1.274 95 H CB 0.038 29.795 29.762 -0.008 0.000 1.364 95 H HN 0.042 nan 8.280 nan 0.000 0.490 96 T N 1.236 115.731 114.554 -0.098 0.000 2.635 96 T HA -0.229 4.122 4.350 0.003 0.000 0.267 96 T C 2.149 176.759 174.700 -0.150 0.000 1.040 96 T CA 1.913 63.934 62.100 -0.131 0.000 1.156 96 T CB -0.372 68.492 68.868 -0.006 0.000 0.863 96 T HN 0.437 nan 8.240 nan 0.000 0.430 97 R N 0.872 121.322 120.500 -0.084 0.000 2.083 97 R HA -0.052 4.289 4.340 0.003 0.000 0.237 97 R C 2.400 178.651 176.300 -0.080 0.000 1.137 97 R CA 1.437 57.501 56.100 -0.061 0.000 0.951 97 R CB -0.518 29.765 30.300 -0.027 0.000 0.851 97 R HN 0.373 nan 8.270 nan 0.000 0.434 98 L N 0.128 121.289 121.223 -0.103 0.000 2.072 98 L HA -0.052 4.289 4.340 0.003 0.000 0.205 98 L C 3.011 179.802 176.870 -0.132 0.000 1.079 98 L CA 1.280 56.065 54.840 -0.092 0.000 0.752 98 L CB -0.475 41.546 42.059 -0.063 0.000 0.906 98 L HN 0.258 nan 8.230 nan 0.000 0.436 99 R N 0.667 121.007 120.500 -0.267 0.000 2.081 99 R HA -0.212 4.130 4.340 0.003 0.000 0.235 99 R C 2.361 178.589 176.300 -0.120 0.000 1.131 99 R CA 1.606 57.562 56.100 -0.240 0.000 0.960 99 R CB -0.078 29.968 30.300 -0.424 0.000 0.856 99 R HN 0.194 nan 8.270 nan 0.000 0.436 100 K N 0.288 120.619 120.400 -0.115 0.000 2.074 100 K HA -0.202 4.120 4.320 0.003 0.000 0.209 100 K C 2.084 178.670 176.600 -0.024 0.000 1.048 100 K CA 1.477 57.731 56.287 -0.055 0.000 0.926 100 K CB -0.176 32.293 32.500 -0.052 0.000 0.713 100 K HN 0.089 nan 8.250 nan 0.000 0.444 101 L N 0.427 121.634 121.223 -0.028 0.000 2.017 101 L HA -0.133 4.208 4.340 0.003 0.000 0.208 101 L C 2.099 178.984 176.870 0.026 0.000 1.073 101 L CA 1.488 56.325 54.840 -0.004 0.000 0.745 101 L CB -0.546 41.507 42.059 -0.010 0.000 0.894 101 L HN 0.062 nan 8.230 nan 0.000 0.432 102 V N -0.618 119.319 119.914 0.038 0.000 3.235 102 V HA 0.069 4.191 4.120 0.003 0.000 0.259 102 V C 2.256 178.469 176.094 0.200 0.000 1.133 102 V CA 1.097 63.468 62.300 0.119 0.000 1.128 102 V CB -0.196 31.685 31.823 0.096 0.000 0.757 102 V HN 0.581 nan 8.190 nan 0.000 0.469 103 G N 0.266 109.131 108.800 0.108 0.000 2.418 103 G HA2 -0.240 3.721 3.960 0.003 0.000 0.217 103 G HA3 -0.240 3.721 3.960 0.003 0.000 0.217 103 G C 1.639 176.620 174.900 0.134 0.000 1.158 103 G CA 0.747 45.920 45.100 0.122 0.000 0.771 103 G HN 0.499 nan 8.290 nan 0.000 0.545 104 R N 0.504 121.050 120.500 0.078 0.000 2.127 104 R HA -0.035 4.307 4.340 0.003 0.000 0.238 104 R C 2.732 179.042 176.300 0.017 0.000 1.134 104 R CA 1.324 57.448 56.100 0.040 0.000 0.975 104 R CB -0.368 29.941 30.300 0.015 0.000 0.865 104 R HN 0.271 nan 8.270 nan 0.000 0.447 105 S N 0.013 115.725 115.700 0.019 0.000 2.507 105 S HA -0.023 4.449 4.470 0.003 0.000 0.235 105 S C 0.735 175.098 174.600 -0.395 0.000 0.988 105 S CA 0.903 59.005 58.200 -0.163 0.000 0.944 105 S CB 0.017 63.107 63.200 -0.184 0.000 0.762 105 S HN 0.228 nan 8.310 nan 0.000 0.526 106 F N 1.200 121.143 119.950 -0.012 0.000 2.729 106 F HA 0.174 4.703 4.527 0.003 0.000 0.315 106 F C 1.312 177.106 175.800 -0.010 0.000 1.102 106 F CA -0.553 57.438 58.000 -0.014 0.000 1.204 106 F CB -0.171 38.819 39.000 -0.017 0.000 1.052 106 F HN -0.000 nan 8.300 nan 0.000 0.551 107 T N -2.037 112.575 114.554 0.097 0.000 2.856 107 T HA -0.002 4.350 4.350 0.003 0.000 0.329 107 T C 1.523 176.250 174.700 0.044 0.000 1.094 107 T CA -0.304 61.833 62.100 0.061 0.000 1.112 107 T CB 1.043 69.928 68.868 0.028 0.000 1.009 107 T HN -0.033 nan 8.240 nan 0.000 0.550 108 V N 1.930 121.869 119.914 0.042 0.000 2.469 108 V HA -0.173 3.949 4.120 0.003 0.000 0.251 108 V C 2.973 179.077 176.094 0.017 0.000 1.064 108 V CA 2.239 64.560 62.300 0.034 0.000 1.066 108 V CB -1.113 30.731 31.823 0.035 0.000 0.667 108 V HN 0.926 nan 8.190 nan 0.000 0.461 109 R N 0.039 120.544 120.500 0.009 0.000 2.070 109 R HA -0.147 4.194 4.340 0.003 0.000 0.232 109 R C 2.636 178.926 176.300 -0.016 0.000 1.138 109 R CA 1.471 57.569 56.100 -0.002 0.000 0.936 109 R CB -0.190 30.108 30.300 -0.004 0.000 0.839 109 R HN 0.355 nan 8.270 nan 0.000 0.429 110 R N 0.013 120.494 120.500 -0.031 0.000 2.091 110 R HA -0.109 4.233 4.340 0.003 0.000 0.238 110 R C 2.221 178.482 176.300 -0.066 0.000 1.136 110 R CA 1.233 57.294 56.100 -0.064 0.000 0.959 110 R CB -0.444 29.791 30.300 -0.109 0.000 0.856 110 R HN 0.335 nan 8.270 nan 0.000 0.437 111 M N 0.944 120.519 119.600 -0.043 0.000 2.132 111 M HA -0.095 4.387 4.480 0.003 0.000 0.263 111 M C 1.642 177.936 176.300 -0.009 0.000 1.065 111 M CA 1.260 56.546 55.300 -0.024 0.000 1.122 111 M CB -1.240 31.373 32.600 0.020 0.000 1.365 111 M HN 0.031 nan 8.290 nan 0.000 0.411 112 N N 0.976 119.676 118.700 -0.000 0.000 2.137 112 N HA -0.182 4.560 4.740 0.003 0.000 0.190 112 N C 1.505 177.013 175.510 -0.004 0.000 1.017 112 N CA 1.244 54.297 53.050 0.004 0.000 0.859 112 N CB -0.391 38.100 38.487 0.008 0.000 1.002 112 N HN 0.522 nan 8.380 nan 0.000 0.428 113 E N 0.155 120.346 120.200 -0.015 0.000 2.331 113 E HA -0.099 4.253 4.350 0.003 0.000 0.199 113 E C 1.457 178.045 176.600 -0.020 0.000 1.008 113 E CA 0.456 56.845 56.400 -0.019 0.000 0.843 113 E CB -0.039 29.644 29.700 -0.029 0.000 0.761 113 E HN 0.395 nan 8.360 nan 0.000 0.507 114 L N 0.209 121.419 121.223 -0.022 0.000 2.529 114 L HA 0.002 4.344 4.340 0.003 0.000 0.223 114 L C 2.320 179.186 176.870 -0.008 0.000 1.113 114 L CA 0.185 55.013 54.840 -0.021 0.000 0.861 114 L CB -0.085 41.956 42.059 -0.030 0.000 1.012 114 L HN 0.124 nan 8.230 nan 0.000 0.461 115 E N 1.223 121.423 120.200 0.000 0.000 2.070 115 E HA -0.230 4.122 4.350 0.003 0.000 0.197 115 E C -0.610 175.997 176.600 0.010 0.000 1.004 115 E CA 1.501 57.907 56.400 0.009 0.000 0.805 115 E CB -0.451 29.259 29.700 0.016 0.000 0.744 115 E HN 0.307 nan 8.360 nan 0.000 0.451 116 P HA -0.185 nan 4.420 nan 0.000 0.215 116 P C 1.095 178.399 177.300 0.008 0.000 1.157 116 P CA 1.479 64.584 63.100 0.009 0.000 0.874 116 P CB -0.056 31.647 31.700 0.005 0.000 0.790 117 R N 0.105 120.606 120.500 0.002 0.000 2.081 117 R HA -0.078 4.264 4.340 0.003 0.000 0.235 117 R C 2.167 178.467 176.300 -0.000 0.000 1.131 117 R CA 1.563 57.662 56.100 -0.001 0.000 0.960 117 R CB -1.612 28.683 30.300 -0.008 0.000 0.856 117 R HN 0.145 nan 8.270 nan 0.000 0.436 118 I N -0.198 120.372 120.570 -0.001 0.000 2.179 118 I HA -0.290 3.882 4.170 0.003 0.000 0.242 118 I C 1.895 178.017 176.117 0.009 0.000 1.088 118 I CA 1.906 63.204 61.300 -0.003 0.000 1.357 118 I CB -0.481 37.519 38.000 0.000 0.000 1.051 118 I HN 0.222 nan 8.210 nan 0.000 0.409 119 T N -0.194 114.372 114.554 0.020 0.000 2.684 119 T HA -0.257 4.095 4.350 0.003 0.000 0.267 119 T C 1.802 176.523 174.700 0.035 0.000 1.036 119 T CA 1.589 63.709 62.100 0.034 0.000 1.148 119 T CB -0.329 68.559 68.868 0.033 0.000 0.863 119 T HN 0.397 nan 8.240 nan 0.000 0.436 120 E N 0.431 120.645 120.200 0.024 0.000 2.049 120 E HA -0.148 4.204 4.350 0.003 0.000 0.198 120 E C 2.221 178.837 176.600 0.027 0.000 1.007 120 E CA 1.260 57.674 56.400 0.023 0.000 0.809 120 E CB -0.283 29.426 29.700 0.015 0.000 0.749 120 E HN 0.478 nan 8.360 nan 0.000 0.450 121 I N 0.867 121.446 120.570 0.016 0.000 2.118 121 I HA -0.345 3.827 4.170 0.003 0.000 0.241 121 I C 2.597 178.733 176.117 0.033 0.000 1.070 121 I CA 1.341 62.648 61.300 0.011 0.000 1.327 121 I CB -0.419 37.572 38.000 -0.015 0.000 1.034 121 I HN 0.165 nan 8.210 nan 0.000 0.405 122 A N 0.378 123.222 122.820 0.039 0.000 1.908 122 A HA -0.254 4.068 4.320 0.003 0.000 0.218 122 A C 1.965 179.650 177.584 0.167 0.000 1.181 122 A CA 2.251 54.356 52.037 0.114 0.000 0.627 122 A CB -0.636 18.432 19.000 0.114 0.000 0.818 122 A HN 0.392 nan 8.150 nan 0.000 0.445 123 D N -0.374 120.086 120.400 0.100 0.000 2.097 123 D HA -0.057 4.585 4.640 0.003 0.000 0.197 123 D C 2.148 178.487 176.300 0.065 0.000 0.984 123 D CA 1.396 55.442 54.000 0.077 0.000 0.826 123 D CB -0.921 39.909 40.800 0.051 0.000 0.973 123 D HN 0.407 nan 8.370 nan 0.000 0.460 124 G N 1.303 110.137 108.800 0.057 0.000 2.529 124 G HA2 -0.273 3.689 3.960 0.003 0.000 0.219 124 G HA3 -0.273 3.689 3.960 0.003 0.000 0.219 124 G C 1.784 176.722 174.900 0.064 0.000 1.177 124 G CA 0.819 45.948 45.100 0.048 0.000 0.773 124 G HN 0.272 nan 8.290 nan 0.000 0.573 125 L N -0.186 121.100 121.223 0.105 0.000 2.046 125 L HA -0.009 4.333 4.340 0.003 0.000 0.208 125 L C 2.885 179.817 176.870 0.104 0.000 1.077 125 L CA 0.586 55.513 54.840 0.146 0.000 0.747 125 L CB -0.392 41.826 42.059 0.265 0.000 0.896 125 L HN 0.177 nan 8.230 nan 0.000 0.432 126 L N -0.578 120.695 121.223 0.085 0.000 2.217 126 L HA -0.111 4.230 4.340 0.003 0.000 0.211 126 L C 2.791 179.649 176.870 -0.020 0.000 1.107 126 L CA 0.822 55.647 54.840 -0.024 0.000 0.783 126 L CB -0.668 41.370 42.059 -0.036 0.000 0.919 126 L HN 0.212 nan 8.230 nan 0.000 0.442 127 A N 0.163 122.988 122.820 0.008 0.000 1.969 127 A HA -0.046 4.276 4.320 0.003 0.000 0.218 127 A C 2.261 179.844 177.584 -0.001 0.000 1.169 127 A CA 1.521 53.559 52.037 0.002 0.000 0.635 127 A CB -0.860 18.147 19.000 0.011 0.000 0.810 127 A HN 0.413 nan 8.150 nan 0.000 0.445 128 G N -1.183 107.622 108.800 0.008 0.000 3.042 128 G HA2 0.374 4.336 3.960 0.003 0.000 0.212 128 G HA3 0.374 4.336 3.960 0.003 0.000 0.212 128 G C 0.397 175.295 174.900 -0.003 0.000 1.166 128 G CA -0.236 44.868 45.100 0.007 0.000 0.767 128 G HN 0.358 nan 8.290 nan 0.000 0.546 129 L N 2.136 123.348 121.223 -0.018 0.000 2.312 129 L HA 0.343 4.685 4.340 0.003 0.000 0.281 129 L C -1.760 175.083 176.870 -0.044 0.000 1.070 129 L CA -2.014 52.805 54.840 -0.035 0.000 0.805 129 L CB 1.657 43.676 42.059 -0.067 0.000 1.174 129 L HN -0.037 nan 8.230 nan 0.000 0.434 130 P HA 0.084 nan 4.420 nan 0.000 0.272 130 P C 0.169 177.439 177.300 -0.050 0.000 1.223 130 P CA -0.276 62.801 63.100 -0.038 0.000 0.784 130 P CB 0.996 32.676 31.700 -0.032 0.000 0.923 131 T N -0.300 114.228 114.554 -0.044 0.000 2.942 131 T HA -0.000 4.352 4.350 0.003 0.000 0.265 131 T C 0.286 174.959 174.700 -0.044 0.000 1.062 131 T CA 1.304 63.376 62.100 -0.047 0.000 1.139 131 T CB -0.245 68.600 68.868 -0.038 0.000 0.883 131 T HN 0.478 nan 8.240 nan 0.000 0.468 132 D N -0.960 119.418 120.400 -0.037 0.000 2.269 132 D HA 0.595 5.237 4.640 0.003 0.000 0.244 132 D C 0.454 176.735 176.300 -0.032 0.000 0.992 132 D CA 0.665 54.645 54.000 -0.033 0.000 0.894 132 D CB 1.577 42.362 40.800 -0.026 0.000 1.248 132 D HN 0.309 nan 8.370 nan 0.000 0.468 133 G N 1.231 110.013 108.800 -0.031 0.000 2.660 133 G HA2 -0.072 3.890 3.960 0.003 0.000 0.215 133 G HA3 -0.072 3.890 3.960 0.003 0.000 0.215 133 G C -2.675 172.206 174.900 -0.033 0.000 1.345 133 G CA -0.951 44.132 45.100 -0.029 0.000 0.877 133 G HN 0.535 nan 8.290 nan 0.000 0.549 134 P HA 0.613 nan 4.420 nan 0.000 0.300 134 P C -0.349 176.931 177.300 -0.034 0.000 1.326 134 P CA -0.349 62.731 63.100 -0.033 0.000 0.844 134 P CB 1.667 33.350 31.700 -0.029 0.000 0.992 135 V N -0.223 119.668 119.914 -0.038 0.000 2.823 135 V HA 0.568 4.690 4.120 0.003 0.000 0.312 135 V C -0.756 175.320 176.094 -0.030 0.000 1.072 135 V CA -0.923 61.357 62.300 -0.033 0.000 0.937 135 V CB 2.119 33.920 31.823 -0.036 0.000 1.013 135 V HN 0.375 nan 8.190 nan 0.000 0.430 136 D N 3.424 123.810 120.400 -0.022 0.000 2.422 136 D HA 0.178 4.820 4.640 0.003 0.000 0.227 136 D C 0.817 177.123 176.300 0.009 0.000 1.190 136 D CA -0.166 53.822 54.000 -0.019 0.000 0.905 136 D CB 1.068 41.849 40.800 -0.031 0.000 1.034 136 D HN 0.651 nan 8.370 nan 0.000 0.507 137 L N 4.601 125.831 121.223 0.013 0.000 2.081 137 L HA -0.224 4.118 4.340 0.003 0.000 0.212 137 L C 1.854 178.795 176.870 0.119 0.000 1.080 137 L CA 1.561 56.438 54.840 0.062 0.000 0.754 137 L CB -0.302 41.777 42.059 0.034 0.000 0.893 137 L HN 0.477 nan 8.230 nan 0.000 0.433 138 M N -0.794 118.847 119.600 0.068 0.000 2.126 138 M HA -0.258 4.224 4.480 0.003 0.000 0.259 138 M C 2.439 178.802 176.300 0.104 0.000 1.073 138 M CA 1.940 57.288 55.300 0.079 0.000 1.103 138 M CB -1.578 31.034 32.600 0.019 0.000 1.284 138 M HN 0.282 nan 8.290 nan 0.000 0.420 139 R N 0.336 120.848 120.500 0.021 0.000 2.096 139 R HA -0.144 4.198 4.340 0.003 0.000 0.235 139 R C 1.790 178.153 176.300 0.105 0.000 1.127 139 R CA 1.435 57.525 56.100 -0.016 0.000 0.968 139 R CB 0.035 30.271 30.300 -0.106 0.000 0.861 139 R HN 0.438 nan 8.270 nan 0.000 0.440 140 E N -1.441 118.823 120.200 0.107 0.000 2.299 140 E HA -0.139 4.213 4.350 0.003 0.000 0.193 140 E C 0.752 177.486 176.600 0.223 0.000 0.998 140 E CA 0.890 57.368 56.400 0.131 0.000 0.851 140 E CB 0.169 29.924 29.700 0.092 0.000 0.795 140 E HN 0.498 nan 8.360 nan 0.000 0.492 141 Y N -0.306 120.032 120.300 0.063 0.000 3.199 141 Y HA 0.302 4.853 4.550 0.003 0.000 0.211 141 Y C 2.268 178.210 175.900 0.069 0.000 0.959 141 Y CA 0.706 58.836 58.100 0.050 0.000 1.528 141 Y CB -0.160 38.313 38.460 0.021 0.000 1.487 141 Y HN -0.070 nan 8.280 nan 0.000 0.403 142 A N 0.463 123.330 122.820 0.078 0.000 1.908 142 A HA -0.220 4.102 4.320 0.003 0.000 0.218 142 A C 1.951 179.545 177.584 0.017 0.000 1.181 142 A CA 1.930 53.970 52.037 0.006 0.000 0.627 142 A CB -1.323 17.748 19.000 0.117 0.000 0.818 142 A HN 0.659 nan 8.150 nan 0.000 0.445 143 F N 0.267 120.186 119.950 -0.052 0.000 2.163 143 F HA -0.123 4.406 4.527 0.003 0.000 0.297 143 F C 2.497 178.243 175.800 -0.090 0.000 1.094 143 F CA 1.809 59.777 58.000 -0.053 0.000 1.290 143 F CB -0.103 38.883 39.000 -0.023 0.000 1.017 143 F HN 0.170 nan 8.300 nan 0.000 0.483 144 Q N 0.646 120.433 119.800 -0.020 0.000 2.084 144 Q HA -0.157 4.184 4.340 0.003 0.000 0.202 144 Q C 2.506 178.375 176.000 -0.220 0.000 0.978 144 Q CA 1.934 57.673 55.803 -0.108 0.000 0.844 144 Q CB -0.639 28.108 28.738 0.016 0.000 0.898 144 Q HN 0.516 nan 8.270 nan 0.000 0.426 145 I N 1.075 121.502 120.570 -0.239 0.000 2.113 145 I HA -0.243 3.929 4.170 0.003 0.000 0.238 145 I C -0.664 175.332 176.117 -0.202 0.000 1.070 145 I CA 1.289 62.457 61.300 -0.221 0.000 1.332 145 I CB -1.504 36.328 38.000 -0.281 0.000 1.044 145 I HN 0.148 nan 8.210 nan 0.000 0.402 146 P HA -0.100 nan 4.420 nan 0.000 0.216 146 P C 1.973 179.100 177.300 -0.290 0.000 1.153 146 P CA 1.173 64.147 63.100 -0.210 0.000 0.848 146 P CB -0.021 31.560 31.700 -0.198 0.000 0.787 147 V N -0.133 119.487 119.914 -0.490 0.000 2.343 147 V HA -0.271 3.850 4.120 0.003 0.000 0.247 147 V C 2.754 178.683 176.094 -0.274 0.000 1.051 147 V CA 1.949 63.890 62.300 -0.598 0.000 1.036 147 V CB -1.272 29.970 31.823 -0.969 0.000 0.654 147 V HN 0.145 nan 8.190 nan 0.000 0.451 148 Q N -0.429 119.251 119.800 -0.200 0.000 2.050 148 Q HA -0.170 4.172 4.340 0.003 0.000 0.202 148 Q C 2.269 178.231 176.000 -0.062 0.000 0.980 148 Q CA 2.006 57.754 55.803 -0.092 0.000 0.840 148 Q CB -0.103 28.591 28.738 -0.073 0.000 0.898 148 Q HN 0.511 nan 8.270 nan 0.000 0.424 149 V N 0.644 120.510 119.914 -0.079 0.000 2.287 149 V HA -0.274 3.848 4.120 0.003 0.000 0.248 149 V C 2.197 178.275 176.094 -0.028 0.000 1.053 149 V CA 1.677 63.948 62.300 -0.047 0.000 1.027 149 V CB -0.480 31.316 31.823 -0.046 0.000 0.646 149 V HN 0.423 nan 8.190 nan 0.000 0.447 150 I N -0.557 119.989 120.570 -0.039 0.000 2.361 150 I HA -0.217 3.955 4.170 0.003 0.000 0.251 150 I C 2.320 178.449 176.117 0.019 0.000 1.133 150 I CA 1.455 62.756 61.300 0.002 0.000 1.413 150 I CB -0.385 37.617 38.000 0.002 0.000 1.073 150 I HN 0.335 nan 8.210 nan 0.000 0.424 151 C N 0.054 119.368 119.300 0.023 0.000 2.440 151 C HA -0.113 4.349 4.460 0.003 0.000 0.278 151 C C 2.574 177.590 174.990 0.044 0.000 1.295 151 C CA 0.790 59.848 59.018 0.066 0.000 1.738 151 C CB -1.122 26.690 27.740 0.119 0.000 1.987 151 C HN 0.512 nan 8.230 nan 0.000 0.492 152 E N 0.265 120.477 120.200 0.020 0.000 2.076 152 E HA -0.154 4.198 4.350 0.003 0.000 0.190 152 E C 2.000 178.598 176.600 -0.003 0.000 0.979 152 E CA 0.690 57.096 56.400 0.009 0.000 0.807 152 E CB -0.218 29.481 29.700 -0.002 0.000 0.761 152 E HN 0.463 nan 8.360 nan 0.000 0.454 153 L N 0.813 122.031 121.223 -0.009 0.000 2.046 153 L HA -0.149 4.193 4.340 0.003 0.000 0.208 153 L C 1.849 178.711 176.870 -0.013 0.000 1.077 153 L CA 1.663 56.486 54.840 -0.029 0.000 0.747 153 L CB -0.132 41.911 42.059 -0.026 0.000 0.896 153 L HN 0.106 nan 8.230 nan 0.000 0.432 154 L N -1.051 120.180 121.223 0.014 0.000 2.202 154 L HA 0.273 4.615 4.340 0.003 0.000 0.205 154 L C 1.339 178.217 176.870 0.014 0.000 1.083 154 L CA 0.609 55.461 54.840 0.020 0.000 0.790 154 L CB -0.485 41.589 42.059 0.024 0.000 0.942 154 L HN 0.488 nan 8.230 nan 0.000 0.452 155 G N 1.152 109.965 108.800 0.023 0.000 2.288 155 G HA2 -0.184 3.778 3.960 0.003 0.000 0.205 155 G HA3 -0.184 3.778 3.960 0.003 0.000 0.205 155 G C -0.268 174.667 174.900 0.059 0.000 1.071 155 G CA -0.533 44.586 45.100 0.033 0.000 0.788 155 G HN 0.125 nan 8.290 nan 0.000 0.491 156 L N 0.324 121.597 121.223 0.085 0.000 2.292 156 L HA 0.475 4.817 4.340 0.003 0.000 0.284 156 L C -1.839 175.167 176.870 0.227 0.000 1.065 156 L CA -2.217 52.719 54.840 0.160 0.000 0.806 156 L CB 1.139 43.258 42.059 0.100 0.000 1.175 156 L HN -0.081 nan 8.230 nan 0.000 0.431 157 P HA 0.068 nan 4.420 nan 0.000 0.271 157 P C 0.210 177.641 177.300 0.218 0.000 1.220 157 P CA -0.122 63.106 63.100 0.213 0.000 0.768 157 P CB 1.218 33.048 31.700 0.217 0.000 0.848 158 A N 4.016 126.915 122.820 0.131 0.000 2.121 158 A HA -0.153 4.169 4.320 0.003 0.000 0.218 158 A C 1.823 179.418 177.584 0.019 0.000 1.154 158 A CA 1.029 53.115 52.037 0.081 0.000 0.679 158 A CB -0.749 18.283 19.000 0.054 0.000 0.795 158 A HN 0.661 nan 8.150 nan 0.000 0.458 159 E N 0.319 120.541 120.200 0.037 0.000 2.204 159 E HA -0.199 4.153 4.350 0.003 0.000 0.194 159 E C 0.216 176.786 176.600 -0.051 0.000 0.989 159 E CA 1.371 57.773 56.400 0.003 0.000 0.824 159 E CB -0.444 29.276 29.700 0.033 0.000 0.756 159 E HN 0.511 nan 8.360 nan 0.000 0.477 160 D N 0.865 121.249 120.400 -0.026 0.000 2.348 160 D HA 0.052 4.694 4.640 0.003 0.000 0.211 160 D C 1.867 177.702 176.300 -0.773 0.000 0.998 160 D CA 0.037 53.939 54.000 -0.164 0.000 0.873 160 D CB -0.120 40.812 40.800 0.220 0.000 0.925 160 D HN 0.181 nan 8.370 nan 0.000 0.524 161 R N 0.969 121.046 120.500 -0.705 0.000 2.112 161 R HA -0.202 4.140 4.340 0.003 0.000 0.242 161 R C 1.599 177.330 176.300 -0.950 0.000 1.137 161 R CA 2.089 57.564 56.100 -1.042 0.000 0.944 161 R CB -0.442 29.692 30.300 -0.278 0.000 0.857 161 R HN 0.341 nan 8.270 nan 0.000 0.435 162 D N 0.101 120.179 120.400 -0.537 0.000 2.190 162 D HA -0.180 4.462 4.640 0.003 0.000 0.200 162 D C 1.215 177.181 176.300 -0.557 0.000 0.992 162 D CA 1.381 55.142 54.000 -0.399 0.000 0.854 162 D CB -0.244 40.398 40.800 -0.264 0.000 0.936 162 D HN 0.284 nan 8.370 nan 0.000 0.462 163 D N 0.044 119.978 120.400 -0.777 0.000 2.110 163 D HA -0.061 4.580 4.640 0.003 0.000 0.202 163 D C 1.973 177.292 176.300 -1.634 0.000 0.975 163 D CA 0.861 54.239 54.000 -1.035 0.000 0.839 163 D CB -0.180 40.113 40.800 -0.845 0.000 0.996 163 D HN 0.414 nan 8.370 nan 0.000 0.464 164 F N 1.310 120.561 119.950 -1.165 0.000 2.456 164 F HA 0.154 4.683 4.527 0.003 0.000 0.298 164 F C 2.247 177.741 175.800 -0.510 0.000 1.104 164 F CA 0.097 57.586 58.000 -0.852 0.000 1.435 164 F CB -0.957 37.776 39.000 -0.445 0.000 1.078 164 F HN -0.253 nan 8.300 nan 0.000 0.546 165 S N 1.153 116.684 115.700 -0.281 0.000 2.383 165 S HA -0.185 4.287 4.470 0.003 0.000 0.229 165 S C 2.396 176.954 174.600 -0.070 0.000 1.030 165 S CA 1.352 59.556 58.200 0.007 0.000 1.002 165 S CB -0.819 62.493 63.200 0.187 0.000 0.829 165 S HN 0.597 nan 8.310 nan 0.000 0.467 166 A N 1.071 123.717 122.820 -0.290 0.000 1.898 166 A HA -0.077 4.245 4.320 0.003 0.000 0.216 166 A C 1.874 179.433 177.584 -0.041 0.000 1.181 166 A CA 1.146 53.053 52.037 -0.216 0.000 0.620 166 A CB -0.741 18.061 19.000 -0.331 0.000 0.819 166 A HN 0.649 nan 8.150 nan 0.000 0.442 167 W N -0.098 121.202 121.300 0.000 0.000 2.388 167 W HA -0.035 4.627 4.660 0.003 0.000 0.294 167 W C 2.866 179.392 176.519 0.012 0.000 1.212 167 W CA 0.779 58.129 57.345 0.009 0.000 1.271 167 W CB -1.538 27.932 29.460 0.016 0.000 1.126 167 W HN 0.437 nan 8.180 nan 0.000 0.535 168 S N 0.908 116.724 115.700 0.195 0.000 2.368 168 S HA -0.189 4.283 4.470 0.003 0.000 0.225 168 S C 2.213 176.889 174.600 0.126 0.000 1.030 168 S CA 2.499 60.767 58.200 0.114 0.000 0.999 168 S CB -0.594 62.596 63.200 -0.017 0.000 0.844 168 S HN 0.238 nan 8.310 nan 0.000 0.459 169 S N 0.512 116.284 115.700 0.120 0.000 2.402 169 S HA -0.012 4.460 4.470 0.003 0.000 0.229 169 S C 1.834 176.482 174.600 0.081 0.000 1.021 169 S CA 1.148 59.410 58.200 0.103 0.000 0.974 169 S CB -0.811 62.430 63.200 0.069 0.000 0.800 169 S HN 0.349 nan 8.310 nan 0.000 0.484 170 V N 2.097 122.065 119.914 0.090 0.000 2.407 170 V HA -0.060 4.062 4.120 0.003 0.000 0.248 170 V C 2.440 178.578 176.094 0.073 0.000 1.055 170 V CA 1.589 63.936 62.300 0.078 0.000 1.049 170 V CB -0.739 31.145 31.823 0.102 0.000 0.662 170 V HN 0.506 nan 8.190 nan 0.000 0.455 171 L N -0.924 120.352 121.223 0.089 0.000 2.275 171 L HA -0.078 4.264 4.340 0.003 0.000 0.215 171 L C 2.161 179.072 176.870 0.068 0.000 1.119 171 L CA 0.760 55.645 54.840 0.075 0.000 0.790 171 L CB -0.353 41.754 42.059 0.081 0.000 0.919 171 L HN 0.211 nan 8.230 nan 0.000 0.443 172 V N -1.874 118.086 119.914 0.077 0.000 3.125 172 V HA 0.025 4.147 4.120 0.003 0.000 0.249 172 V C 0.737 176.872 176.094 0.069 0.000 1.113 172 V CA 0.507 62.855 62.300 0.081 0.000 1.106 172 V CB 0.090 31.974 31.823 0.102 0.000 0.768 172 V HN 0.247 nan 8.190 nan 0.000 0.468 173 D N 0.832 121.262 120.400 0.049 0.000 2.398 173 D HA 0.077 4.719 4.640 0.003 0.000 0.247 173 D C 0.789 177.092 176.300 0.004 0.000 1.227 173 D CA -0.012 53.996 54.000 0.014 0.000 0.980 173 D CB 0.337 41.132 40.800 -0.008 0.000 1.106 173 D HN 0.285 nan 8.370 nan 0.000 0.493 174 D N -0.804 119.572 120.400 -0.040 0.000 2.370 174 D HA -0.083 4.559 4.640 0.003 0.000 0.256 174 D C -0.330 175.962 176.300 -0.013 0.000 1.197 174 D CA -0.040 53.944 54.000 -0.027 0.000 0.922 174 D CB -0.539 40.216 40.800 -0.076 0.000 0.911 174 D HN -0.079 nan 8.370 nan 0.000 0.517 175 S N 1.482 117.181 115.700 -0.002 0.000 2.563 175 S HA 0.146 4.618 4.470 0.003 0.000 0.284 175 S C -2.156 172.453 174.600 0.014 0.000 1.331 175 S CA -0.724 57.480 58.200 0.007 0.000 1.047 175 S CB 0.517 63.730 63.200 0.020 0.000 0.859 175 S HN 0.262 nan 8.310 nan 0.000 0.514 176 P HA 0.123 nan 4.420 nan 0.000 0.267 176 P C 0.152 177.465 177.300 0.022 0.000 1.200 176 P CA -0.119 62.991 63.100 0.017 0.000 0.772 176 P CB 0.362 32.071 31.700 0.015 0.000 0.855 177 A N 2.580 125.414 122.820 0.024 0.000 2.131 177 A HA -0.196 4.126 4.320 0.003 0.000 0.220 177 A C 1.397 178.995 177.584 0.024 0.000 1.158 177 A CA 1.724 53.778 52.037 0.028 0.000 0.665 177 A CB -0.801 18.218 19.000 0.032 0.000 0.795 177 A HN 0.487 nan 8.150 nan 0.000 0.460 178 D N -0.392 120.020 120.400 0.020 0.000 2.301 178 D HA -0.006 4.636 4.640 0.003 0.000 0.206 178 D C 0.850 177.160 176.300 0.017 0.000 0.979 178 D CA 0.917 54.927 54.000 0.016 0.000 0.874 178 D CB -0.328 40.480 40.800 0.014 0.000 0.968 178 D HN 0.417 nan 8.370 nan 0.000 0.510 179 D N 0.909 121.323 120.400 0.023 0.000 2.183 179 D HA -0.042 4.600 4.640 0.003 0.000 0.203 179 D C 1.815 178.136 176.300 0.035 0.000 0.969 179 D CA 0.754 54.773 54.000 0.032 0.000 0.842 179 D CB 0.097 40.918 40.800 0.037 0.000 0.957 179 D HN 0.124 nan 8.370 nan 0.000 0.484 180 K N 0.186 120.605 120.400 0.031 0.000 2.103 180 K HA 0.003 4.325 4.320 0.003 0.000 0.204 180 K C 1.524 178.133 176.600 0.016 0.000 1.052 180 K CA 0.607 56.914 56.287 0.033 0.000 0.945 180 K CB 0.060 32.581 32.500 0.034 0.000 0.722 180 K HN 0.038 nan 8.250 nan 0.000 0.443 181 N N 1.079 119.784 118.700 0.009 0.000 2.216 181 N HA -0.091 4.651 4.740 0.003 0.000 0.183 181 N C 1.660 177.151 175.510 -0.031 0.000 1.017 181 N CA 1.124 54.169 53.050 -0.008 0.000 0.861 181 N CB -0.179 38.308 38.487 -0.000 0.000 0.986 181 N HN 0.147 nan 8.380 nan 0.000 0.428 182 A N 0.812 123.617 122.820 -0.025 0.000 1.930 182 A HA 0.102 4.424 4.320 0.003 0.000 0.217 182 A C 2.305 179.826 177.584 -0.104 0.000 1.175 182 A CA 1.680 53.688 52.037 -0.049 0.000 0.627 182 A CB -0.631 18.360 19.000 -0.016 0.000 0.815 182 A HN 0.292 nan 8.150 nan 0.000 0.443 183 A N -1.189 121.597 122.820 -0.057 0.000 1.930 183 A HA -0.025 4.297 4.320 0.003 0.000 0.217 183 A C 2.135 179.630 177.584 -0.149 0.000 1.175 183 A CA 1.964 53.951 52.037 -0.082 0.000 0.627 183 A CB -0.429 18.638 19.000 0.111 0.000 0.815 183 A HN 0.486 nan 8.150 nan 0.000 0.443 184 M N 0.198 119.755 119.600 -0.072 0.000 2.099 184 M HA -0.005 4.477 4.480 0.003 0.000 0.262 184 M C 2.019 178.267 176.300 -0.086 0.000 1.067 184 M CA 1.795 57.064 55.300 -0.051 0.000 1.124 184 M CB -0.798 31.785 32.600 -0.028 0.000 1.353 184 M HN 0.342 nan 8.290 nan 0.000 0.410 185 G N -0.356 108.371 108.800 -0.121 0.000 2.421 185 G HA2 -0.214 3.747 3.960 0.003 0.000 0.216 185 G HA3 -0.214 3.747 3.960 0.003 0.000 0.216 185 G C 1.647 176.439 174.900 -0.181 0.000 1.171 185 G CA 0.913 45.941 45.100 -0.120 0.000 0.775 185 G HN 0.450 nan 8.290 nan 0.000 0.543 186 K N -0.263 119.905 120.400 -0.386 0.000 2.026 186 K HA 0.067 4.388 4.320 0.003 0.000 0.208 186 K C 2.452 178.549 176.600 -0.839 0.000 1.048 186 K CA 0.777 56.616 56.287 -0.746 0.000 0.929 186 K CB -0.396 31.319 32.500 -1.308 0.000 0.713 186 K HN 0.233 nan 8.250 nan 0.000 0.439 187 L N 0.822 121.656 121.223 -0.648 0.000 2.012 187 L HA -0.246 4.096 4.340 0.003 0.000 0.210 187 L C 2.792 179.687 176.870 0.041 0.000 1.073 187 L CA 1.519 56.284 54.840 -0.125 0.000 0.748 187 L CB -0.465 41.642 42.059 0.081 0.000 0.891 187 L HN 0.451 nan 8.230 nan 0.000 0.431 188 H N -0.479 118.546 119.070 -0.074 0.000 2.353 188 H HA -0.136 4.422 4.556 0.003 0.000 0.300 188 H C 1.866 177.178 175.328 -0.028 0.000 1.090 188 H CA 1.777 57.804 56.048 -0.035 0.000 1.327 188 H CB 0.072 29.803 29.762 -0.052 0.000 1.383 188 H HN 0.396 nan 8.280 nan 0.000 0.508 189 G N -0.497 108.347 108.800 0.073 0.000 2.394 189 G HA2 -0.306 3.656 3.960 0.003 0.000 0.215 189 G HA3 -0.306 3.656 3.960 0.003 0.000 0.215 189 G C 1.739 176.642 174.900 0.005 0.000 1.165 189 G CA 0.638 45.761 45.100 0.038 0.000 0.784 189 G HN 0.534 nan 8.290 nan 0.000 0.535 190 Y N 1.157 121.422 120.300 -0.057 0.000 2.114 190 Y HA -0.113 4.439 4.550 0.003 0.000 0.282 190 Y C 2.483 178.409 175.900 0.044 0.000 1.165 190 Y CA 1.657 59.799 58.100 0.069 0.000 1.148 190 Y CB -0.227 38.397 38.460 0.274 0.000 0.972 190 Y HN 0.112 nan 8.280 nan 0.000 0.504 191 L N -0.971 120.244 121.223 -0.013 0.000 2.156 191 L HA -0.177 4.165 4.340 0.003 0.000 0.208 191 L C 2.507 179.245 176.870 -0.220 0.000 1.095 191 L CA 1.149 55.907 54.840 -0.136 0.000 0.770 191 L CB -0.616 41.427 42.059 -0.027 0.000 0.914 191 L HN 0.133 nan 8.230 nan 0.000 0.439 192 S N 0.015 115.565 115.700 -0.250 0.000 2.365 192 S HA -0.219 4.253 4.470 0.003 0.000 0.225 192 S C 1.519 176.026 174.600 -0.154 0.000 1.039 192 S CA 1.676 59.749 58.200 -0.212 0.000 1.033 192 S CB -0.358 62.730 63.200 -0.187 0.000 0.887 192 S HN 0.447 nan 8.310 nan 0.000 0.447 193 D N 1.438 121.740 120.400 -0.162 0.000 2.092 193 D HA -0.065 4.577 4.640 0.003 0.000 0.193 193 D C 1.944 178.137 176.300 -0.180 0.000 0.994 193 D CA 0.605 54.517 54.000 -0.147 0.000 0.828 193 D CB -0.643 40.071 40.800 -0.143 0.000 0.963 193 D HN 0.193 nan 8.370 nan 0.000 0.450 194 L N 0.350 121.394 121.223 -0.299 0.000 2.043 194 L HA -0.213 4.129 4.340 0.003 0.000 0.212 194 L C 2.337 179.123 176.870 -0.140 0.000 1.075 194 L CA 1.191 55.876 54.840 -0.258 0.000 0.752 194 L CB -0.240 41.606 42.059 -0.355 0.000 0.891 194 L HN 0.091 nan 8.230 nan 0.000 0.432 195 L N -0.842 120.303 121.223 -0.130 0.000 2.141 195 L HA -0.180 4.162 4.340 0.003 0.000 0.209 195 L C 2.658 179.489 176.870 -0.065 0.000 1.094 195 L CA 0.757 55.546 54.840 -0.084 0.000 0.763 195 L CB -0.492 41.517 42.059 -0.083 0.000 0.908 195 L HN 0.214 nan 8.230 nan 0.000 0.437 196 E N 0.239 120.396 120.200 -0.071 0.000 2.017 196 E HA -0.256 4.096 4.350 0.003 0.000 0.193 196 E C 2.203 178.779 176.600 -0.041 0.000 0.997 196 E CA 1.130 57.500 56.400 -0.050 0.000 0.804 196 E CB -0.285 29.386 29.700 -0.047 0.000 0.757 196 E HN 0.313 nan 8.360 nan 0.000 0.448 197 R N 1.139 121.610 120.500 -0.048 0.000 2.154 197 R HA -0.162 4.180 4.340 0.003 0.000 0.248 197 R C 2.032 178.316 176.300 -0.027 0.000 1.155 197 R CA 1.676 57.755 56.100 -0.035 0.000 0.979 197 R CB 0.025 30.299 30.300 -0.042 0.000 0.869 197 R HN 0.009 nan 8.270 nan 0.000 0.452 198 K N -0.476 119.904 120.400 -0.034 0.000 2.366 198 K HA -0.038 4.284 4.320 0.003 0.000 0.198 198 K C 2.002 178.591 176.600 -0.019 0.000 1.044 198 K CA 0.797 57.070 56.287 -0.024 0.000 0.973 198 K CB 0.170 32.654 32.500 -0.027 0.000 0.767 198 K HN 0.272 nan 8.250 nan 0.000 0.475 199 R N -0.130 120.358 120.500 -0.021 0.000 2.066 199 R HA -0.058 4.284 4.340 0.003 0.000 0.232 199 R C 2.065 178.359 176.300 -0.011 0.000 1.131 199 R CA 1.695 57.785 56.100 -0.016 0.000 0.955 199 R CB -0.650 29.640 30.300 -0.016 0.000 0.851 199 R HN 0.085 nan 8.270 nan 0.000 0.432 200 T N 0.286 114.833 114.554 -0.011 0.000 2.896 200 T HA -0.073 4.279 4.350 0.003 0.000 0.263 200 T C 0.789 175.486 174.700 -0.005 0.000 1.050 200 T CA 0.834 62.930 62.100 -0.007 0.000 1.140 200 T CB 0.097 68.961 68.868 -0.006 0.000 0.877 200 T HN 0.235 nan 8.240 nan 0.000 0.457 201 E N 2.266 122.462 120.200 -0.006 0.000 2.683 201 E HA 0.228 4.580 4.350 0.003 0.000 0.224 201 E C -2.718 173.880 176.600 -0.004 0.000 1.046 201 E CA -2.305 54.093 56.400 -0.003 0.000 0.811 201 E CB 1.290 30.990 29.700 0.000 0.000 1.296 201 E HN 0.220 nan 8.360 nan 0.000 0.421 202 P HA 0.174 nan 4.420 nan 0.000 0.276 202 P C -0.872 176.427 177.300 -0.002 0.000 1.252 202 P CA -0.208 62.889 63.100 -0.005 0.000 0.802 202 P CB 1.302 32.998 31.700 -0.006 0.000 1.035 203 D N -1.175 119.223 120.400 -0.003 0.000 2.801 203 D HA 0.266 4.908 4.640 0.003 0.000 0.277 203 D C -0.248 176.048 176.300 -0.006 0.000 1.125 203 D CA -0.404 53.595 54.000 -0.002 0.000 1.102 203 D CB -0.154 40.648 40.800 0.003 0.000 1.400 203 D HN 0.080 nan 8.370 nan 0.000 0.601 204 D N -0.877 119.518 120.400 -0.008 0.000 2.363 204 D HA 0.355 4.997 4.640 0.003 0.000 0.214 204 D C 0.343 176.632 176.300 -0.019 0.000 1.093 204 D CA -0.127 53.865 54.000 -0.013 0.000 0.837 204 D CB 0.491 41.282 40.800 -0.014 0.000 0.948 204 D HN 0.498 nan 8.370 nan 0.000 0.507 205 A N 0.314 123.124 122.820 -0.016 0.000 0.000 205 A HA 0.289 4.611 4.320 0.003 0.000 0.000 205 A C 1.463 179.035 177.584 -0.020 0.000 0.000 205 A CA -0.463 51.561 52.037 -0.021 0.000 0.000 205 A CB 0.417 19.411 19.000 -0.010 0.000 0.000 205 A HN 0.137 nan 8.150 nan 0.000 0.000 206 L N -0.599 120.611 121.223 -0.021 0.000 2.056 206 L HA -0.137 4.205 4.340 0.003 0.000 0.207 206 L C 2.323 179.196 176.870 0.004 0.000 1.078 206 L CA 1.388 56.222 54.840 -0.010 0.000 0.749 206 L CB -0.440 41.624 42.059 0.008 0.000 0.901 206 L HN 0.745 nan 8.230 nan 0.000 0.433 207 L N -1.082 120.144 121.223 0.006 0.000 2.042 207 L HA -0.257 4.085 4.340 0.003 0.000 0.210 207 L C 2.631 179.497 176.870 -0.007 0.000 1.076 207 L CA 1.324 56.165 54.840 0.001 0.000 0.749 207 L CB -0.603 41.453 42.059 -0.005 0.000 0.893 207 L HN 0.228 nan 8.230 nan 0.000 0.432 208 S N -0.570 115.125 115.700 -0.008 0.000 2.368 208 S HA -0.152 4.320 4.470 0.003 0.000 0.225 208 S C 2.195 176.789 174.600 -0.009 0.000 1.030 208 S CA 1.502 59.696 58.200 -0.010 0.000 0.999 208 S CB -0.080 63.114 63.200 -0.009 0.000 0.844 208 S HN 0.394 nan 8.310 nan 0.000 0.459 209 S N 1.894 117.589 115.700 -0.008 0.000 2.368 209 S HA 0.027 4.499 4.470 0.003 0.000 0.225 209 S C 1.804 176.402 174.600 -0.004 0.000 1.030 209 S CA 0.966 59.161 58.200 -0.008 0.000 0.999 209 S CB -0.424 62.769 63.200 -0.011 0.000 0.844 209 S HN 0.372 nan 8.310 nan 0.000 0.459 210 L N 1.058 122.281 121.223 0.000 0.000 2.141 210 L HA 0.000 4.342 4.340 0.003 0.000 0.209 210 L C 2.390 179.258 176.870 -0.004 0.000 1.094 210 L CA 0.660 55.502 54.840 0.003 0.000 0.763 210 L CB -0.510 41.555 42.059 0.010 0.000 0.908 210 L HN 0.285 nan 8.230 nan 0.000 0.437 211 L N 0.057 121.276 121.223 -0.008 0.000 1.970 211 L HA -0.284 4.058 4.340 0.003 0.000 0.212 211 L C 2.842 179.706 176.870 -0.010 0.000 1.071 211 L CA 1.808 56.641 54.840 -0.012 0.000 0.751 211 L CB -0.409 41.641 42.059 -0.016 0.000 0.889 211 L HN 0.301 nan 8.230 nan 0.000 0.432 212 A N -0.490 122.325 122.820 -0.009 0.000 1.859 212 A HA -0.240 4.082 4.320 0.003 0.000 0.217 212 A C 2.190 179.770 177.584 -0.006 0.000 1.198 212 A CA 2.350 54.382 52.037 -0.007 0.000 0.629 212 A CB -1.175 17.821 19.000 -0.007 0.000 0.830 212 A HN 0.348 nan 8.150 nan 0.000 0.446 213 V N -0.339 119.572 119.914 -0.005 0.000 2.250 213 V HA -0.314 3.807 4.120 0.003 0.000 0.253 213 V C 2.810 178.901 176.094 -0.004 0.000 1.065 213 V CA 2.640 64.938 62.300 -0.004 0.000 1.039 213 V CB -1.104 30.718 31.823 -0.002 0.000 0.647 213 V HN 0.675 nan 8.190 nan 0.000 0.446 214 S N -0.694 115.004 115.700 -0.004 0.000 2.368 214 S HA -0.234 4.238 4.470 0.003 0.000 0.225 214 S C 1.711 176.308 174.600 -0.004 0.000 1.030 214 S CA 1.808 60.006 58.200 -0.004 0.000 0.999 214 S CB -0.504 62.692 63.200 -0.006 0.000 0.844 214 S HN 0.687 nan 8.310 nan 0.000 0.459 215 D N 0.945 121.342 120.400 -0.006 0.000 2.144 215 D HA -0.063 4.579 4.640 0.003 0.000 0.199 215 D C 1.845 178.143 176.300 -0.004 0.000 0.984 215 D CA 1.200 55.197 54.000 -0.005 0.000 0.834 215 D CB -0.256 40.540 40.800 -0.006 0.000 0.955 215 D HN 0.478 nan 8.370 nan 0.000 0.465 216 M N -0.706 118.891 119.600 -0.004 0.000 2.349 216 M HA -0.015 4.467 4.480 0.003 0.000 0.266 216 M C -0.044 176.255 176.300 -0.002 0.000 1.076 216 M CA 0.723 56.021 55.300 -0.003 0.000 1.126 216 M CB 0.548 33.146 32.600 -0.004 0.000 1.392 216 M HN -0.215 nan 8.290 nan 0.000 0.440 217 D N -0.674 119.724 120.400 -0.002 0.000 2.312 217 D HA 0.195 4.837 4.640 0.003 0.000 0.229 217 D C 0.522 176.821 176.300 -0.001 0.000 1.337 217 D CA -0.028 53.971 54.000 -0.001 0.000 0.964 217 D CB 0.768 41.567 40.800 -0.002 0.000 1.456 217 D HN 0.133 nan 8.370 nan 0.000 0.547 218 G N 1.822 110.622 108.800 0.000 0.000 2.470 218 G HA2 -0.218 3.744 3.960 0.003 0.000 0.220 218 G HA3 -0.218 3.744 3.960 0.003 0.000 0.220 218 G C 1.044 175.945 174.900 0.002 0.000 1.121 218 G CA 0.430 45.530 45.100 0.001 0.000 0.766 218 G HN 0.398 nan 8.290 nan 0.000 0.553 219 D N -0.122 120.279 120.400 0.002 0.000 2.234 219 D HA -0.014 4.627 4.640 0.003 0.000 0.205 219 D C 2.508 178.808 176.300 0.001 0.000 0.962 219 D CA 0.464 54.465 54.000 0.002 0.000 0.855 219 D CB 0.036 40.838 40.800 0.002 0.000 0.951 219 D HN 0.184 nan 8.370 nan 0.000 0.500 220 R N 0.230 120.730 120.500 -0.001 0.000 2.093 220 R HA 0.154 4.495 4.340 0.003 0.000 0.224 220 R C 0.065 176.363 176.300 -0.003 0.000 1.101 220 R CA 0.683 56.782 56.100 -0.003 0.000 0.979 220 R CB 0.200 30.498 30.300 -0.003 0.000 0.877 220 R HN 0.071 nan 8.270 nan 0.000 0.441 221 L N 1.181 122.403 121.223 -0.001 0.000 2.661 221 L HA 0.281 4.623 4.340 0.003 0.000 0.263 221 L C -1.101 175.770 176.870 0.002 0.000 0.956 221 L CA -0.354 54.486 54.840 0.000 0.000 0.918 221 L CB 1.735 43.793 42.059 -0.001 0.000 1.280 221 L HN 0.361 nan 8.230 nan 0.000 0.416 222 S N 2.858 118.561 115.700 0.005 0.000 2.632 222 S HA 0.193 4.665 4.470 0.003 0.000 0.267 222 S C 0.710 175.314 174.600 0.007 0.000 1.276 222 S CA -0.296 57.908 58.200 0.007 0.000 0.998 222 S CB 1.797 65.004 63.200 0.012 0.000 0.953 222 S HN 0.759 nan 8.310 nan 0.000 0.547 223 Q N 0.195 119.999 119.800 0.007 0.000 2.084 223 Q HA -0.145 4.197 4.340 0.003 0.000 0.202 223 Q C 1.751 177.757 176.000 0.011 0.000 0.978 223 Q CA 1.904 57.709 55.803 0.003 0.000 0.844 223 Q CB -0.369 28.371 28.738 0.003 0.000 0.898 223 Q HN 0.901 nan 8.270 nan 0.000 0.426 224 E N 0.835 121.054 120.200 0.032 0.000 2.152 224 E HA -0.132 4.220 4.350 0.003 0.000 0.192 224 E C 1.506 178.133 176.600 0.045 0.000 0.983 224 E CA 1.175 57.613 56.400 0.064 0.000 0.818 224 E CB 0.050 29.794 29.700 0.073 0.000 0.758 224 E HN 0.394 nan 8.360 nan 0.000 0.467 225 E N -0.442 119.773 120.200 0.025 0.000 2.150 225 E HA -0.138 4.214 4.350 0.003 0.000 0.193 225 E C 1.891 178.497 176.600 0.009 0.000 0.985 225 E CA 0.741 57.151 56.400 0.017 0.000 0.814 225 E CB -0.104 29.603 29.700 0.012 0.000 0.752 225 E HN 0.188 nan 8.360 nan 0.000 0.466 226 L N 0.583 121.807 121.223 0.001 0.000 2.056 226 L HA -0.147 4.194 4.340 0.003 0.000 0.207 226 L C 2.123 178.979 176.870 -0.024 0.000 1.078 226 L CA 1.434 56.268 54.840 -0.010 0.000 0.749 226 L CB -0.324 41.725 42.059 -0.016 0.000 0.901 226 L HN -0.063 nan 8.230 nan 0.000 0.433 227 V N 0.193 120.083 119.914 -0.041 0.000 2.307 227 V HA -0.250 3.872 4.120 0.003 0.000 0.245 227 V C 2.829 178.906 176.094 -0.029 0.000 1.045 227 V CA 1.572 63.819 62.300 -0.090 0.000 1.024 227 V CB -1.494 30.184 31.823 -0.242 0.000 0.651 227 V HN 0.596 nan 8.190 nan 0.000 0.449 228 A N -0.438 122.395 122.820 0.021 0.000 1.940 228 A HA -0.284 4.038 4.320 0.003 0.000 0.219 228 A C 2.168 179.762 177.584 0.017 0.000 1.176 228 A CA 2.458 54.516 52.037 0.035 0.000 0.631 228 A CB -0.548 18.473 19.000 0.034 0.000 0.814 228 A HN 0.483 nan 8.150 nan 0.000 0.446 229 M N 0.125 119.731 119.600 0.010 0.000 2.132 229 M HA 0.011 4.493 4.480 0.003 0.000 0.263 229 M C 2.137 178.442 176.300 0.008 0.000 1.065 229 M CA 1.728 57.033 55.300 0.009 0.000 1.122 229 M CB -0.579 32.027 32.600 0.010 0.000 1.365 229 M HN 0.359 nan 8.290 nan 0.000 0.411 230 A N -0.163 122.657 122.820 0.001 0.000 1.933 230 A HA -0.158 4.163 4.320 0.003 0.000 0.218 230 A C 2.175 179.757 177.584 -0.003 0.000 1.175 230 A CA 1.974 54.009 52.037 -0.003 0.000 0.628 230 A CB -0.699 18.288 19.000 -0.021 0.000 0.814 230 A HN 0.622 nan 8.150 nan 0.000 0.444 231 M N -1.310 118.293 119.600 0.005 0.000 2.132 231 M HA -0.098 4.384 4.480 0.003 0.000 0.263 231 M C 2.199 178.510 176.300 0.018 0.000 1.065 231 M CA 1.313 56.623 55.300 0.018 0.000 1.122 231 M CB -0.450 32.173 32.600 0.038 0.000 1.365 231 M HN 0.456 nan 8.290 nan 0.000 0.411 232 L N 1.058 122.290 121.223 0.015 0.000 1.989 232 L HA -0.173 4.169 4.340 0.003 0.000 0.211 232 L C 2.121 178.997 176.870 0.009 0.000 1.071 232 L CA 1.951 56.798 54.840 0.012 0.000 0.749 232 L CB -0.795 41.266 42.059 0.005 0.000 0.890 232 L HN 0.247 nan 8.230 nan 0.000 0.431 233 L N -1.289 119.936 121.223 0.004 0.000 2.083 233 L HA -0.221 4.121 4.340 0.003 0.000 0.209 233 L C 2.566 179.463 176.870 0.045 0.000 1.083 233 L CA 1.345 56.193 54.840 0.013 0.000 0.752 233 L CB -0.661 41.423 42.059 0.042 0.000 0.899 233 L HN 0.375 nan 8.230 nan 0.000 0.433 234 L N 0.077 121.317 121.223 0.027 0.000 1.994 234 L HA -0.232 4.109 4.340 0.003 0.000 0.208 234 L C 2.522 179.464 176.870 0.120 0.000 1.071 234 L CA 1.575 56.433 54.840 0.030 0.000 0.745 234 L CB -0.103 41.885 42.059 -0.117 0.000 0.892 234 L HN 0.102 nan 8.230 nan 0.000 0.431 235 I N -0.051 120.557 120.570 0.065 0.000 2.226 235 I HA -0.291 3.881 4.170 0.003 0.000 0.245 235 I C 2.756 178.955 176.117 0.137 0.000 1.100 235 I CA 1.138 62.495 61.300 0.095 0.000 1.374 235 I CB -0.615 37.427 38.000 0.069 0.000 1.057 235 I HN 0.358 nan 8.210 nan 0.000 0.413 236 A N 0.964 123.840 122.820 0.093 0.000 1.940 236 A HA -0.149 4.173 4.320 0.003 0.000 0.219 236 A C 2.416 180.051 177.584 0.085 0.000 1.176 236 A CA 1.885 53.968 52.037 0.077 0.000 0.631 236 A CB -1.451 17.566 19.000 0.027 0.000 0.814 236 A HN 0.476 nan 8.150 nan 0.000 0.446 237 G N -2.216 106.642 108.800 0.096 0.000 2.498 237 G HA2 -0.141 3.821 3.960 0.003 0.000 0.219 237 G HA3 -0.141 3.821 3.960 0.003 0.000 0.219 237 G C 1.255 176.115 174.900 -0.066 0.000 1.119 237 G CA 1.294 46.416 45.100 0.037 0.000 0.766 237 G HN 0.708 nan 8.290 nan 0.000 0.552 238 H N -1.837 117.229 119.070 -0.007 0.000 2.729 238 H HA 0.312 4.870 4.556 0.003 0.000 0.263 238 H C 1.356 176.731 175.328 0.078 0.000 0.961 238 H CA 0.640 56.684 56.048 -0.008 0.000 1.217 238 H CB 0.884 30.710 29.762 0.107 0.000 1.447 238 H HN 0.261 nan 8.280 nan 0.000 0.496 239 E N -1.245 119.069 120.200 0.190 0.000 2.715 239 E HA 0.084 4.435 4.350 0.003 0.000 0.224 239 E C 0.982 177.670 176.600 0.147 0.000 0.962 239 E CA 0.487 57.001 56.400 0.190 0.000 1.145 239 E CB 0.753 30.564 29.700 0.184 0.000 1.083 239 E HN 0.483 nan 8.360 nan 0.000 0.506 240 T N -4.809 109.818 114.554 0.121 0.000 3.393 240 T HA 0.053 4.405 4.350 0.003 0.000 0.231 240 T C 1.828 176.596 174.700 0.114 0.000 0.983 240 T CA 0.771 62.944 62.100 0.122 0.000 1.272 240 T CB -0.518 68.425 68.868 0.125 0.000 1.214 240 T HN -0.126 nan 8.240 nan 0.000 0.368 241 T N 2.782 117.393 114.554 0.095 0.000 2.720 241 T HA -0.088 4.264 4.350 0.003 0.000 0.268 241 T C 2.097 176.835 174.700 0.064 0.000 1.037 241 T CA 1.462 63.612 62.100 0.083 0.000 1.144 241 T CB -0.873 68.028 68.868 0.055 0.000 0.864 241 T HN 0.213 nan 8.240 nan 0.000 0.444 242 V N 2.776 122.720 119.914 0.051 0.000 2.311 242 V HA -0.284 3.837 4.120 0.003 0.000 0.256 242 V C 2.243 178.398 176.094 0.102 0.000 1.077 242 V CA 1.894 64.241 62.300 0.077 0.000 1.067 242 V CB -0.603 31.309 31.823 0.149 0.000 0.659 242 V HN 0.546 nan 8.190 nan 0.000 0.451 243 N N -0.602 118.167 118.700 0.115 0.000 2.446 243 N HA -0.005 4.737 4.740 0.003 0.000 0.179 243 N C 1.553 177.128 175.510 0.109 0.000 1.054 243 N CA 0.587 53.711 53.050 0.123 0.000 0.905 243 N CB 0.006 38.580 38.487 0.145 0.000 0.973 243 N HN 0.444 nan 8.380 nan 0.000 0.448 244 L N 1.084 122.366 121.223 0.097 0.000 2.072 244 L HA 0.085 4.426 4.340 0.003 0.000 0.205 244 L C 1.772 178.686 176.870 0.073 0.000 1.079 244 L CA 1.296 56.190 54.840 0.090 0.000 0.752 244 L CB -0.484 41.635 42.059 0.100 0.000 0.906 244 L HN -0.018 nan 8.230 nan 0.000 0.436 245 I N -0.465 120.150 120.570 0.074 0.000 2.233 245 I HA -0.108 4.064 4.170 0.003 0.000 0.243 245 I C 2.531 178.691 176.117 0.071 0.000 1.093 245 I CA 1.098 62.443 61.300 0.076 0.000 1.380 245 I CB -1.235 36.805 38.000 0.066 0.000 1.067 245 I HN 0.364 nan 8.210 nan 0.000 0.413 246 G N 1.426 110.276 108.800 0.083 0.000 2.545 246 G HA2 -0.299 3.663 3.960 0.003 0.000 0.217 246 G HA3 -0.299 3.663 3.960 0.003 0.000 0.217 246 G C 1.401 176.339 174.900 0.064 0.000 1.218 246 G CA 1.242 46.390 45.100 0.080 0.000 0.787 246 G HN 0.302 nan 8.290 nan 0.000 0.571 247 N N 1.178 119.927 118.700 0.082 0.000 2.166 247 N HA -0.060 4.682 4.740 0.003 0.000 0.186 247 N C 2.266 177.748 175.510 -0.046 0.000 1.019 247 N CA 1.351 54.459 53.050 0.096 0.000 0.856 247 N CB -0.864 37.713 38.487 0.150 0.000 0.993 247 N HN 0.349 nan 8.380 nan 0.000 0.426 248 G N 0.667 109.337 108.800 -0.217 0.000 2.404 248 G HA2 -0.147 3.815 3.960 0.003 0.000 0.215 248 G HA3 -0.147 3.815 3.960 0.003 0.000 0.215 248 G C 1.691 176.149 174.900 -0.737 0.000 1.174 248 G CA 0.642 45.226 45.100 -0.861 0.000 0.780 248 G HN 0.178 nan 8.290 nan 0.000 0.537 249 V N 0.791 120.571 119.914 -0.222 0.000 2.287 249 V HA -0.168 3.954 4.120 0.003 0.000 0.248 249 V C 2.716 178.847 176.094 0.062 0.000 1.053 249 V CA 1.765 64.105 62.300 0.067 0.000 1.027 249 V CB -0.498 31.445 31.823 0.200 0.000 0.646 249 V HN 0.342 nan 8.190 nan 0.000 0.447 250 L N 0.627 121.869 121.223 0.032 0.000 2.083 250 L HA -0.069 4.273 4.340 0.003 0.000 0.209 250 L C 2.456 179.388 176.870 0.103 0.000 1.083 250 L CA 2.239 57.130 54.840 0.085 0.000 0.752 250 L CB -0.941 41.190 42.059 0.119 0.000 0.899 250 L HN 0.231 nan 8.230 nan 0.000 0.433 251 A N -0.447 122.395 122.820 0.037 0.000 1.883 251 A HA -0.211 4.111 4.320 0.003 0.000 0.217 251 A C 2.271 179.905 177.584 0.082 0.000 1.186 251 A CA 2.146 54.230 52.037 0.078 0.000 0.624 251 A CB -0.939 18.003 19.000 -0.097 0.000 0.822 251 A HN 0.493 nan 8.150 nan 0.000 0.444 252 L N -0.694 120.470 121.223 -0.098 0.000 2.017 252 L HA -0.190 4.152 4.340 0.003 0.000 0.208 252 L C 2.581 179.493 176.870 0.071 0.000 1.073 252 L CA 1.198 55.985 54.840 -0.088 0.000 0.745 252 L CB -0.587 41.206 42.059 -0.443 0.000 0.894 252 L HN 0.392 nan 8.230 nan 0.000 0.432 253 L N -0.447 120.864 121.223 0.145 0.000 2.131 253 L HA -0.164 4.178 4.340 0.003 0.000 0.210 253 L C 2.495 179.417 176.870 0.086 0.000 1.092 253 L CA 1.785 56.716 54.840 0.152 0.000 0.759 253 L CB -0.884 41.260 42.059 0.143 0.000 0.903 253 L HN 0.457 nan 8.230 nan 0.000 0.435 254 T N -4.964 109.643 114.554 0.088 0.000 3.107 254 T HA 0.006 4.358 4.350 0.003 0.000 0.249 254 T C 0.198 174.733 174.700 -0.275 0.000 1.096 254 T CA 0.037 62.113 62.100 -0.040 0.000 1.012 254 T CB -0.265 68.594 68.868 -0.015 0.000 0.977 254 T HN 0.291 nan 8.240 nan 0.000 0.527 255 H N 0.694 119.761 119.070 -0.004 0.000 2.607 255 H HA 0.359 4.917 4.556 0.003 0.000 0.248 255 H C -2.319 172.993 175.328 -0.027 0.000 1.355 255 H CA -1.715 54.314 56.048 -0.031 0.000 1.524 255 H CB 1.458 31.167 29.762 -0.088 0.000 1.563 255 H HN 0.044 nan 8.280 nan 0.000 0.509 256 P HA -0.219 nan 4.420 nan 0.000 0.216 256 P C 1.534 178.854 177.300 0.032 0.000 1.153 256 P CA 1.507 64.631 63.100 0.039 0.000 0.858 256 P CB 0.409 32.121 31.700 0.021 0.000 0.789 257 D N -0.604 119.814 120.400 0.031 0.000 2.133 257 D HA -0.234 4.408 4.640 0.003 0.000 0.195 257 D C 1.621 177.921 176.300 -0.000 0.000 0.997 257 D CA 1.480 55.489 54.000 0.015 0.000 0.840 257 D CB -0.867 39.943 40.800 0.016 0.000 0.947 257 D HN 0.159 nan 8.370 nan 0.000 0.452 258 Q N 0.286 120.087 119.800 0.003 0.000 2.137 258 Q HA -0.012 4.329 4.340 0.003 0.000 0.198 258 Q C 2.397 178.368 176.000 -0.048 0.000 0.960 258 Q CA 0.539 56.316 55.803 -0.043 0.000 0.847 258 Q CB -0.375 28.314 28.738 -0.080 0.000 0.915 258 Q HN 0.458 nan 8.270 nan 0.000 0.448 259 R N 1.203 121.683 120.500 -0.033 0.000 2.083 259 R HA -0.156 4.186 4.340 0.003 0.000 0.237 259 R C 2.210 178.499 176.300 -0.019 0.000 1.137 259 R CA 1.700 57.767 56.100 -0.055 0.000 0.951 259 R CB -0.015 30.285 30.300 -0.001 0.000 0.851 259 R HN 0.071 nan 8.270 nan 0.000 0.434 260 K N 0.488 120.888 120.400 0.001 0.000 2.032 260 K HA -0.151 4.170 4.320 0.003 0.000 0.209 260 K C 2.196 178.792 176.600 -0.008 0.000 1.048 260 K CA 1.563 57.853 56.287 0.006 0.000 0.927 260 K CB -0.147 32.357 32.500 0.006 0.000 0.712 260 K HN 0.212 nan 8.250 nan 0.000 0.441 261 L N 0.700 121.910 121.223 -0.023 0.000 2.042 261 L HA -0.235 4.107 4.340 0.003 0.000 0.210 261 L C 2.544 179.392 176.870 -0.036 0.000 1.076 261 L CA 0.844 55.664 54.840 -0.033 0.000 0.749 261 L CB -0.457 41.572 42.059 -0.050 0.000 0.893 261 L HN 0.294 nan 8.230 nan 0.000 0.432 262 L N -0.079 121.116 121.223 -0.046 0.000 2.056 262 L HA -0.086 4.256 4.340 0.003 0.000 0.207 262 L C 2.638 179.502 176.870 -0.010 0.000 1.078 262 L CA 1.874 56.688 54.840 -0.042 0.000 0.749 262 L CB -0.642 41.374 42.059 -0.072 0.000 0.901 262 L HN 0.127 nan 8.230 nan 0.000 0.433 263 A N -0.753 122.069 122.820 0.004 0.000 1.908 263 A HA -0.250 4.072 4.320 0.003 0.000 0.218 263 A C 2.195 179.791 177.584 0.021 0.000 1.181 263 A CA 2.077 54.133 52.037 0.032 0.000 0.627 263 A CB -0.604 18.425 19.000 0.048 0.000 0.818 263 A HN 0.619 nan 8.150 nan 0.000 0.445 264 E N -1.210 118.994 120.200 0.008 0.000 2.230 264 E HA -0.062 4.289 4.350 0.003 0.000 0.192 264 E C -0.176 176.423 176.600 -0.001 0.000 0.987 264 E CA 0.737 57.139 56.400 0.004 0.000 0.841 264 E CB 0.197 29.897 29.700 -0.001 0.000 0.783 264 E HN 0.457 nan 8.360 nan 0.000 0.481 265 D N -0.528 119.868 120.400 -0.007 0.000 2.412 265 D HA 0.131 4.772 4.640 0.003 0.000 0.276 265 D C -2.203 174.093 176.300 -0.007 0.000 1.196 265 D CA -2.409 51.585 54.000 -0.009 0.000 0.905 265 D CB 1.091 41.880 40.800 -0.017 0.000 1.081 265 D HN -0.219 nan 8.370 nan 0.000 0.502 266 P HA -0.146 nan 4.420 nan 0.000 0.221 266 P C 1.401 178.705 177.300 0.007 0.000 1.145 266 P CA 0.882 63.990 63.100 0.014 0.000 0.795 266 P CB 0.172 31.888 31.700 0.028 0.000 0.775 267 S N -0.787 114.913 115.700 0.000 0.000 2.469 267 S HA -0.108 4.364 4.470 0.003 0.000 0.238 267 S C 1.716 176.305 174.600 -0.018 0.000 0.998 267 S CA 0.745 58.942 58.200 -0.004 0.000 0.957 267 S CB -1.529 61.668 63.200 -0.004 0.000 0.764 267 S HN 0.125 nan 8.310 nan 0.000 0.514 268 L N 0.254 121.459 121.223 -0.031 0.000 2.549 268 L HA 0.026 4.368 4.340 0.003 0.000 0.229 268 L C 2.282 179.106 176.870 -0.077 0.000 1.158 268 L CA 0.200 55.004 54.840 -0.060 0.000 0.842 268 L CB -0.625 41.390 42.059 -0.074 0.000 0.952 268 L HN 0.321 nan 8.230 nan 0.000 0.452 269 I N -0.179 120.367 120.570 -0.040 0.000 2.127 269 I HA -0.326 3.846 4.170 0.003 0.000 0.241 269 I C 2.547 178.634 176.117 -0.050 0.000 1.075 269 I CA 1.629 62.913 61.300 -0.026 0.000 1.334 269 I CB -0.242 37.777 38.000 0.032 0.000 1.040 269 I HN 0.124 nan 8.210 nan 0.000 0.405 270 S N -0.384 115.299 115.700 -0.027 0.000 2.365 270 S HA -0.258 4.214 4.470 0.003 0.000 0.225 270 S C 2.185 176.742 174.600 -0.072 0.000 1.039 270 S CA 1.840 60.027 58.200 -0.021 0.000 1.033 270 S CB -0.751 62.452 63.200 0.004 0.000 0.887 270 S HN 0.632 nan 8.310 nan 0.000 0.447 271 S N 1.020 116.661 115.700 -0.097 0.000 2.402 271 S HA 0.028 4.500 4.470 0.003 0.000 0.229 271 S C 2.004 176.443 174.600 -0.270 0.000 1.021 271 S CA 1.015 59.135 58.200 -0.134 0.000 0.974 271 S CB -0.409 62.727 63.200 -0.107 0.000 0.800 271 S HN 0.519 nan 8.310 nan 0.000 0.484 272 A N 0.771 123.375 122.820 -0.359 0.000 1.898 272 A HA 0.025 4.347 4.320 0.003 0.000 0.216 272 A C 2.297 179.183 177.584 -1.164 0.000 1.181 272 A CA 1.625 53.210 52.037 -0.754 0.000 0.620 272 A CB -0.967 17.684 19.000 -0.581 0.000 0.819 272 A HN 0.436 nan 8.150 nan 0.000 0.442 273 V N 0.380 119.980 119.914 -0.522 0.000 2.343 273 V HA -0.214 3.908 4.120 0.003 0.000 0.247 273 V C 2.574 178.514 176.094 -0.258 0.000 1.051 273 V CA 2.121 64.291 62.300 -0.217 0.000 1.036 273 V CB -0.700 31.137 31.823 0.023 0.000 0.654 273 V HN 0.504 nan 8.190 nan 0.000 0.451 274 E N -0.001 120.053 120.200 -0.243 0.000 2.085 274 E HA -0.258 4.094 4.350 0.003 0.000 0.194 274 E C 2.191 178.604 176.600 -0.310 0.000 0.994 274 E CA 1.583 57.838 56.400 -0.241 0.000 0.801 274 E CB -0.270 29.397 29.700 -0.054 0.000 0.743 274 E HN 0.680 nan 8.360 nan 0.000 0.453 275 E N 0.243 120.246 120.200 -0.328 0.000 2.106 275 E HA -0.109 4.242 4.350 0.003 0.000 0.192 275 E C 1.963 178.491 176.600 -0.119 0.000 0.984 275 E CA 0.981 57.225 56.400 -0.260 0.000 0.806 275 E CB -0.414 29.072 29.700 -0.356 0.000 0.750 275 E HN 0.311 nan 8.360 nan 0.000 0.458 276 F N 0.201 120.085 119.950 -0.109 0.000 2.102 276 F HA -0.163 4.366 4.527 0.003 0.000 0.298 276 F C 2.216 177.969 175.800 -0.078 0.000 1.105 276 F CA 0.491 58.464 58.000 -0.045 0.000 1.239 276 F CB -0.332 38.638 39.000 -0.051 0.000 0.991 276 F HN 0.008 nan 8.300 nan 0.000 0.474 277 L N 0.031 121.183 121.223 -0.119 0.000 2.013 277 L HA -0.281 4.061 4.340 0.003 0.000 0.212 277 L C 2.705 179.395 176.870 -0.299 0.000 1.073 277 L CA 1.500 56.061 54.840 -0.464 0.000 0.753 277 L CB -0.638 40.650 42.059 -1.284 0.000 0.890 277 L HN 0.137 nan 8.230 nan 0.000 0.432 278 R N -0.316 120.072 120.500 -0.186 0.000 2.057 278 R HA -0.191 4.151 4.340 0.003 0.000 0.229 278 R C 2.445 178.890 176.300 0.242 0.000 1.136 278 R CA 1.677 57.914 56.100 0.227 0.000 0.952 278 R CB -0.377 30.125 30.300 0.336 0.000 0.848 278 R HN 0.234 nan 8.270 nan 0.000 0.430 279 F N 0.869 120.850 119.950 0.051 0.000 2.186 279 F HA -0.104 4.425 4.527 0.002 0.000 0.299 279 F C 0.204 176.022 175.800 0.029 0.000 1.090 279 F CA 1.371 59.382 58.000 0.019 0.000 1.307 279 F CB 0.205 39.202 39.000 -0.005 0.000 1.019 279 F HN -0.002 nan 8.300 nan 0.000 0.489 280 D N 0.141 120.634 120.400 0.156 0.000 2.714 280 D HA 0.162 4.803 4.640 0.003 0.000 0.264 280 D C -0.995 175.408 176.300 0.172 0.000 1.231 280 D CA -0.117 53.965 54.000 0.136 0.000 0.802 280 D CB 0.444 41.354 40.800 0.182 0.000 1.319 280 D HN -0.114 nan 8.370 nan 0.000 0.528 281 S N 2.331 118.130 115.700 0.165 0.000 2.546 281 S HA 0.068 4.540 4.470 0.003 0.000 0.290 281 S C -1.397 173.279 174.600 0.127 0.000 1.262 281 S CA -0.673 57.607 58.200 0.133 0.000 1.083 281 S CB 1.178 64.471 63.200 0.155 0.000 0.859 281 S HN 0.376 nan 8.310 nan 0.000 0.495 282 P HA -0.057 nan 4.420 nan 0.000 0.215 282 P C 0.018 177.398 177.300 0.134 0.000 1.157 282 P CA 0.698 63.870 63.100 0.121 0.000 0.868 282 P CB 0.081 31.840 31.700 0.098 0.000 0.788 283 V N 1.092 121.079 119.914 0.121 0.000 2.353 283 V HA 0.058 4.180 4.120 0.003 0.000 0.264 283 V C 1.577 177.752 176.094 0.135 0.000 1.049 283 V CA 0.464 62.843 62.300 0.132 0.000 0.896 283 V CB 0.370 32.267 31.823 0.123 0.000 1.025 283 V HN 0.165 nan 8.190 nan 0.000 0.475 284 S N 3.972 119.769 115.700 0.162 0.000 2.388 284 S HA 0.068 4.539 4.470 0.003 0.000 0.223 284 S C 0.606 175.290 174.600 0.139 0.000 1.034 284 S CA 0.031 58.332 58.200 0.168 0.000 0.963 284 S CB 0.039 63.394 63.200 0.259 0.000 0.827 284 S HN 0.671 nan 8.310 nan 0.000 0.481 285 Q N 0.592 120.489 119.800 0.162 0.000 2.356 285 Q HA 0.778 5.120 4.340 0.003 0.000 0.270 285 Q C -0.723 175.320 176.000 0.071 0.000 1.058 285 Q CA -0.176 55.688 55.803 0.103 0.000 0.802 285 Q CB 1.906 30.719 28.738 0.125 0.000 1.303 285 Q HN 0.486 nan 8.270 nan 0.000 0.444 286 A N 3.302 126.141 122.820 0.031 0.000 2.425 286 A HA 0.495 4.817 4.320 0.003 0.000 0.242 286 A C -2.138 175.429 177.584 -0.029 0.000 1.077 286 A CA -0.903 51.153 52.037 0.032 0.000 0.781 286 A CB -0.451 18.550 19.000 0.003 0.000 1.020 286 A HN 0.494 nan 8.150 nan 0.000 0.494 287 P HA 0.142 nan 4.420 nan 0.000 0.268 287 P C -0.195 177.022 177.300 -0.140 0.000 1.208 287 P CA 0.017 63.081 63.100 -0.059 0.000 0.777 287 P CB 0.275 31.951 31.700 -0.041 0.000 0.875 288 I N 2.084 122.546 120.570 -0.180 0.000 2.813 288 I HA -0.014 4.158 4.170 0.003 0.000 0.287 288 I C 1.318 177.157 176.117 -0.462 0.000 1.196 288 I CA 0.750 61.853 61.300 -0.327 0.000 1.421 288 I CB 0.279 38.062 38.000 -0.361 0.000 1.365 288 I HN 0.246 nan 8.210 nan 0.000 0.591 289 R N 4.669 124.863 120.500 -0.511 0.000 2.873 289 R HA 0.643 4.985 4.340 0.003 0.000 0.264 289 R C -1.554 174.385 176.300 -0.602 0.000 1.026 289 R CA -0.686 55.158 56.100 -0.427 0.000 1.002 289 R CB 1.603 31.758 30.300 -0.242 0.000 1.174 289 R HN 0.294 nan 8.270 nan 0.000 0.488 290 F N -0.167 119.797 119.950 0.024 0.000 2.507 290 F HA 0.254 4.783 4.527 0.003 0.000 0.325 290 F C 0.449 176.230 175.800 -0.032 0.000 1.116 290 F CA -1.025 57.005 58.000 0.050 0.000 0.930 290 F CB 2.063 41.154 39.000 0.153 0.000 1.146 290 F HN 0.410 nan 8.300 nan 0.000 0.447 291 T N -0.482 114.122 114.554 0.084 0.000 2.817 291 T HA 0.399 4.751 4.350 0.003 0.000 0.295 291 T C 0.829 175.456 174.700 -0.121 0.000 0.958 291 T CA -0.219 61.857 62.100 -0.040 0.000 1.157 291 T CB 1.441 70.263 68.868 -0.076 0.000 0.898 291 T HN 0.780 nan 8.240 nan 0.000 0.536 292 A N 3.031 125.661 122.820 -0.315 0.000 2.030 292 A HA 0.262 4.584 4.320 0.003 0.000 0.215 292 A C 0.900 178.372 177.584 -0.187 0.000 1.164 292 A CA 0.315 52.028 52.037 -0.541 0.000 0.697 292 A CB -0.035 18.520 19.000 -0.743 0.000 0.827 292 A HN 0.883 nan 8.150 nan 0.000 0.457 293 E N -0.275 119.845 120.200 -0.134 0.000 2.446 293 E HA 0.297 4.649 4.350 0.003 0.000 0.276 293 E C -1.708 174.835 176.600 -0.095 0.000 0.969 293 E CA -1.082 55.266 56.400 -0.086 0.000 0.800 293 E CB 1.037 30.690 29.700 -0.079 0.000 1.341 293 E HN 0.145 nan 8.360 nan 0.000 0.460 294 D N 1.114 121.461 120.400 -0.088 0.000 2.425 294 D HA 0.203 4.845 4.640 0.003 0.000 0.247 294 D C -0.624 175.589 176.300 -0.146 0.000 1.147 294 D CA 0.329 54.260 54.000 -0.115 0.000 0.879 294 D CB 1.047 41.790 40.800 -0.096 0.000 1.179 294 D HN -0.023 nan 8.370 nan 0.000 0.456 295 V N 1.988 121.787 119.914 -0.193 0.000 2.789 295 V HA 0.396 4.518 4.120 0.003 0.000 0.311 295 V C 0.186 176.068 176.094 -0.352 0.000 1.073 295 V CA -0.762 61.375 62.300 -0.272 0.000 0.921 295 V CB 2.436 34.111 31.823 -0.247 0.000 1.009 295 V HN 0.484 nan 8.190 nan 0.000 0.426 296 T N 3.533 117.818 114.554 -0.448 0.000 2.794 296 T HA 0.701 5.053 4.350 0.003 0.000 0.280 296 T C -1.240 173.090 174.700 -0.617 0.000 0.987 296 T CA -0.213 61.660 62.100 -0.379 0.000 0.993 296 T CB 0.697 69.431 68.868 -0.223 0.000 0.939 296 T HN 0.478 nan 8.240 nan 0.000 0.449 297 Y N 0.552 120.802 120.300 -0.083 0.000 2.373 297 Y HA 0.357 4.908 4.550 0.002 0.000 0.336 297 Y C 0.935 176.821 175.900 -0.023 0.000 0.979 297 Y CA -0.977 57.091 58.100 -0.053 0.000 1.080 297 Y CB 1.870 40.292 38.460 -0.062 0.000 1.190 297 Y HN 0.788 nan 8.280 nan 0.000 0.446 298 S N 2.118 117.890 115.700 0.121 0.000 3.614 298 S HA -0.229 4.243 4.470 0.003 0.000 0.360 298 S C 1.309 175.944 174.600 0.059 0.000 1.023 298 S CA 1.264 59.517 58.200 0.087 0.000 1.114 298 S CB -1.519 61.744 63.200 0.105 0.000 0.907 298 S HN 1.657 nan 8.310 nan 0.000 0.470 299 G N -1.899 106.916 108.800 0.026 0.000 2.284 299 G HA2 -0.310 3.652 3.960 0.003 0.000 0.247 299 G HA3 -0.310 3.652 3.960 0.003 0.000 0.247 299 G C 0.121 175.025 174.900 0.007 0.000 1.012 299 G CA -0.046 45.061 45.100 0.012 0.000 0.618 299 G HN 1.312 nan 8.290 nan 0.000 0.521 300 V N 2.485 122.413 119.914 0.024 0.000 2.406 300 V HA 0.525 4.647 4.120 0.003 0.000 0.272 300 V C 0.651 176.710 176.094 -0.059 0.000 1.043 300 V CA 0.201 62.516 62.300 0.025 0.000 0.915 300 V CB 1.384 33.266 31.823 0.098 0.000 0.988 300 V HN 0.287 nan 8.190 nan 0.000 0.466 301 T N 6.896 121.399 114.554 -0.085 0.000 2.749 301 T HA 0.501 4.852 4.350 0.003 0.000 0.295 301 T C 0.071 174.598 174.700 -0.288 0.000 0.936 301 T CA 0.005 62.009 62.100 -0.159 0.000 1.060 301 T CB 0.228 69.031 68.868 -0.107 0.000 0.904 301 T HN 0.394 nan 8.240 nan 0.000 0.500 302 I N 6.422 126.734 120.570 -0.431 0.000 2.312 302 I HA 0.262 4.434 4.170 0.003 0.000 0.291 302 I C -2.117 173.783 176.117 -0.361 0.000 1.031 302 I CA -2.548 58.325 61.300 -0.710 0.000 1.293 302 I CB 1.054 38.506 38.000 -0.914 0.000 1.403 302 I HN 0.291 nan 8.210 nan 0.000 0.484 303 P HA 0.055 nan 4.420 nan 0.000 0.270 303 P C -0.293 176.960 177.300 -0.078 0.000 1.223 303 P CA -0.309 62.735 63.100 -0.094 0.000 0.785 303 P CB 0.561 32.259 31.700 -0.003 0.000 0.923 304 A N 2.048 124.840 122.820 -0.047 0.000 2.561 304 A HA 0.367 4.689 4.320 0.003 0.000 0.234 304 A C 1.471 179.076 177.584 0.035 0.000 1.055 304 A CA 0.949 52.975 52.037 -0.018 0.000 0.756 304 A CB -1.536 17.459 19.000 -0.008 0.000 0.986 304 A HN 0.907 nan 8.150 nan 0.000 0.505 305 G N 0.804 109.649 108.800 0.076 0.000 2.157 305 G HA2 -0.149 3.813 3.960 0.003 0.000 0.239 305 G HA3 -0.149 3.813 3.960 0.003 0.000 0.239 305 G C -0.068 174.938 174.900 0.176 0.000 0.982 305 G CA 0.321 45.502 45.100 0.134 0.000 0.650 305 G HN 0.820 nan 8.290 nan 0.000 0.527 306 E N -0.046 120.249 120.200 0.160 0.000 2.248 306 E HA 0.631 4.983 4.350 0.003 0.000 0.272 306 E C 0.624 177.346 176.600 0.204 0.000 1.008 306 E CA -0.517 56.011 56.400 0.214 0.000 0.856 306 E CB 0.941 30.746 29.700 0.176 0.000 1.120 306 E HN 0.396 nan 8.360 nan 0.000 0.397 307 M N 1.291 121.022 119.600 0.219 0.000 2.264 307 M HA 0.352 4.834 4.480 0.003 0.000 0.352 307 M C -0.655 175.674 176.300 0.048 0.000 1.173 307 M CA -0.789 54.522 55.300 0.019 0.000 1.075 307 M CB 1.438 34.041 32.600 0.004 0.000 1.621 307 M HN 0.041 nan 8.290 nan 0.000 0.457 308 V N 4.036 123.874 119.914 -0.127 0.000 2.525 308 V HA 0.431 4.553 4.120 0.003 0.000 0.299 308 V C -0.590 175.401 176.094 -0.172 0.000 1.034 308 V CA -0.590 61.660 62.300 -0.082 0.000 0.863 308 V CB 1.919 33.668 31.823 -0.124 0.000 0.999 308 V HN 0.901 nan 8.190 nan 0.000 0.423 309 M N 4.961 124.492 119.600 -0.115 0.000 2.209 309 M HA 0.539 5.021 4.480 0.003 0.000 0.355 309 M C -0.877 175.326 176.300 -0.161 0.000 1.171 309 M CA -0.367 54.854 55.300 -0.132 0.000 1.069 309 M CB 1.207 33.762 32.600 -0.075 0.000 1.622 309 M HN 0.497 nan 8.290 nan 0.000 0.459 310 L N 3.498 124.582 121.223 -0.232 0.000 2.265 310 L HA 0.393 4.735 4.340 0.003 0.000 0.288 310 L C 0.760 177.543 176.870 -0.146 0.000 1.058 310 L CA -0.643 54.028 54.840 -0.282 0.000 0.809 310 L CB 0.914 42.637 42.059 -0.560 0.000 1.179 310 L HN 0.821 nan 8.230 nan 0.000 0.429 311 G N 4.507 113.229 108.800 -0.129 0.000 2.605 311 G HA2 0.306 4.268 3.960 0.003 0.000 0.301 311 G HA3 0.306 4.268 3.960 0.003 0.000 0.301 311 G C 0.888 175.702 174.900 -0.144 0.000 0.881 311 G CA -0.399 44.621 45.100 -0.132 0.000 1.553 311 G HN 0.654 nan 8.290 nan 0.000 0.483 312 L N 2.239 123.421 121.223 -0.069 0.000 2.044 312 L HA -0.051 4.291 4.340 0.003 0.000 0.205 312 L C 3.161 180.016 176.870 -0.025 0.000 1.075 312 L CA 1.220 56.059 54.840 -0.003 0.000 0.747 312 L CB -0.569 41.538 42.059 0.081 0.000 0.903 312 L HN 0.497 nan 8.230 nan 0.000 0.435 313 A N 0.539 123.312 122.820 -0.079 0.000 1.908 313 A HA -0.206 4.116 4.320 0.003 0.000 0.218 313 A C 2.538 180.008 177.584 -0.191 0.000 1.181 313 A CA 2.075 54.072 52.037 -0.067 0.000 0.627 313 A CB -0.717 18.280 19.000 -0.005 0.000 0.818 313 A HN 0.422 nan 8.150 nan 0.000 0.445 314 A N -0.369 122.100 122.820 -0.585 0.000 1.873 314 A HA 0.235 4.557 4.320 0.003 0.000 0.215 314 A C 2.515 180.056 177.584 -0.072 0.000 1.186 314 A CA 1.942 53.726 52.037 -0.420 0.000 0.616 314 A CB -1.034 17.619 19.000 -0.577 0.000 0.823 314 A HN 1.085 nan 8.150 nan 0.000 0.442 315 A N 0.200 122.992 122.820 -0.048 0.000 1.972 315 A HA -0.162 4.160 4.320 0.003 0.000 0.219 315 A C 1.732 179.452 177.584 0.226 0.000 1.169 315 A CA 1.620 53.705 52.037 0.080 0.000 0.635 315 A CB -0.587 18.407 19.000 -0.010 0.000 0.810 315 A HN 0.516 nan 8.150 nan 0.000 0.446 316 N N -0.291 118.531 118.700 0.203 0.000 2.550 316 N HA -0.036 4.706 4.740 0.003 0.000 0.186 316 N C 0.932 176.687 175.510 0.409 0.000 1.110 316 N CA 0.570 53.844 53.050 0.374 0.000 0.912 316 N CB -0.117 38.589 38.487 0.364 0.000 0.968 316 N HN 0.496 nan 8.380 nan 0.000 0.448 317 R N 0.165 120.817 120.500 0.253 0.000 2.613 317 R HA 0.105 4.446 4.340 0.003 0.000 0.361 317 R C -0.515 175.885 176.300 0.166 0.000 1.072 317 R CA -0.329 55.874 56.100 0.171 0.000 1.089 317 R CB 0.436 30.782 30.300 0.077 0.000 1.343 317 R HN 0.004 nan 8.270 nan 0.000 0.571 318 D N 0.847 121.392 120.400 0.243 0.000 2.358 318 D HA 0.081 4.723 4.640 0.003 0.000 0.258 318 D C 1.011 177.406 176.300 0.159 0.000 1.223 318 D CA -0.012 54.109 54.000 0.203 0.000 0.886 318 D CB 1.424 42.379 40.800 0.258 0.000 1.120 318 D HN 0.203 nan 8.370 nan 0.000 0.482 319 A N 4.276 127.151 122.820 0.091 0.000 2.076 319 A HA -0.184 4.138 4.320 0.003 0.000 0.220 319 A C 1.652 179.262 177.584 0.043 0.000 1.160 319 A CA 1.066 53.127 52.037 0.040 0.000 0.653 319 A CB -0.046 18.972 19.000 0.030 0.000 0.801 319 A HN 0.560 nan 8.150 nan 0.000 0.455 320 D N -2.239 118.215 120.400 0.091 0.000 2.310 320 D HA -0.105 4.537 4.640 0.003 0.000 0.212 320 D C 1.377 177.754 176.300 0.128 0.000 0.965 320 D CA 0.918 54.979 54.000 0.101 0.000 0.879 320 D CB -0.095 40.779 40.800 0.123 0.000 0.921 320 D HN 0.829 nan 8.370 nan 0.000 0.510 321 W N 0.156 121.378 121.300 -0.129 0.000 2.922 321 W HA 0.256 4.918 4.660 0.003 0.000 0.260 321 W C 0.053 176.431 176.519 -0.234 0.000 1.088 321 W CA -0.084 57.083 57.345 -0.296 0.000 1.694 321 W CB 0.109 29.125 29.460 -0.740 0.000 1.064 321 W HN -0.289 nan 8.180 nan 0.000 0.611 322 M N 2.794 122.121 119.600 -0.455 0.000 2.149 322 M HA 0.451 4.933 4.480 0.003 0.000 0.342 322 M C -2.691 173.423 176.300 -0.312 0.000 1.068 322 M CA -2.983 51.898 55.300 -0.698 0.000 0.991 322 M CB 1.328 33.474 32.600 -0.757 0.000 1.596 322 M HN -0.287 nan 8.290 nan 0.000 0.439 323 P HA 0.119 nan 4.420 nan 0.000 0.271 323 P C -1.073 176.155 177.300 -0.121 0.000 1.220 323 P CA 0.303 63.310 63.100 -0.156 0.000 0.768 323 P CB 0.156 31.769 31.700 -0.145 0.000 0.848 324 E N 2.496 122.654 120.200 -0.070 0.000 2.246 324 E HA -0.191 4.160 4.350 0.003 0.000 0.173 324 E C -1.387 175.195 176.600 -0.031 0.000 1.532 324 E CA -0.190 56.187 56.400 -0.039 0.000 0.672 324 E CB -0.711 28.967 29.700 -0.036 0.000 1.078 324 E HN 0.512 nan 8.360 nan 0.000 0.338 325 P HA -0.135 nan 4.420 nan 0.000 0.219 325 P C 0.597 177.930 177.300 0.056 0.000 1.150 325 P CA 0.985 64.088 63.100 0.004 0.000 0.814 325 P CB 0.293 32.006 31.700 0.022 0.000 0.787 326 D N -0.657 119.773 120.400 0.050 0.000 2.347 326 D HA -0.032 4.610 4.640 0.003 0.000 0.215 326 D C 1.127 177.559 176.300 0.220 0.000 0.976 326 D CA 0.502 54.550 54.000 0.079 0.000 0.884 326 D CB -0.340 40.484 40.800 0.039 0.000 0.915 326 D HN 0.210 nan 8.370 nan 0.000 0.526 327 R N 1.257 121.839 120.500 0.137 0.000 2.265 327 R HA 0.236 4.578 4.340 0.003 0.000 0.314 327 R C -0.399 175.898 176.300 -0.005 0.000 1.053 327 R CA -0.472 55.678 56.100 0.083 0.000 0.931 327 R CB 0.598 30.907 30.300 0.014 0.000 1.024 327 R HN 0.021 nan 8.270 nan 0.000 0.457 328 L N 4.621 125.687 121.223 -0.262 0.000 2.313 328 L HA 0.207 4.549 4.340 0.003 0.000 0.282 328 L C -1.021 175.623 176.870 -0.377 0.000 1.092 328 L CA 0.316 54.759 54.840 -0.662 0.000 0.831 328 L CB 0.880 42.090 42.059 -1.414 0.000 1.159 328 L HN 0.749 nan 8.230 nan 0.000 0.442 329 D N 4.928 125.153 120.400 -0.291 0.000 2.336 329 D HA 0.137 4.778 4.640 0.003 0.000 0.248 329 D C 0.768 176.935 176.300 -0.222 0.000 1.326 329 D CA -0.491 53.383 54.000 -0.210 0.000 0.973 329 D CB 0.887 41.599 40.800 -0.148 0.000 1.255 329 D HN 0.536 nan 8.370 nan 0.000 0.558 330 I N 0.922 121.348 120.570 -0.241 0.000 3.334 330 I HA 0.040 4.211 4.170 0.003 0.000 0.282 330 I C 1.177 177.169 176.117 -0.210 0.000 1.313 330 I CA 0.897 62.025 61.300 -0.286 0.000 1.396 330 I CB -0.256 37.558 38.000 -0.310 0.000 1.054 330 I HN 0.248 nan 8.210 nan 0.000 0.495 331 T N -2.353 112.108 114.554 -0.156 0.000 3.044 331 T HA 0.236 4.587 4.350 0.003 0.000 0.250 331 T C 1.043 175.680 174.700 -0.105 0.000 1.081 331 T CA -0.393 61.638 62.100 -0.115 0.000 1.040 331 T CB -0.224 68.590 68.868 -0.090 0.000 0.962 331 T HN 0.293 nan 8.240 nan 0.000 0.506 332 R N 2.586 123.014 120.500 -0.120 0.000 2.474 332 R HA 0.015 4.357 4.340 0.003 0.000 0.290 332 R C -0.596 175.654 176.300 -0.083 0.000 0.918 332 R CA 0.270 56.305 56.100 -0.110 0.000 1.130 332 R CB -0.006 30.216 30.300 -0.130 0.000 0.881 332 R HN 0.322 nan 8.270 nan 0.000 0.416 333 D N 2.297 122.657 120.400 -0.067 0.000 2.428 333 D HA 0.331 4.973 4.640 0.003 0.000 0.221 333 D C -0.973 175.308 176.300 -0.031 0.000 1.123 333 D CA -0.220 53.758 54.000 -0.037 0.000 0.869 333 D CB 0.802 41.584 40.800 -0.031 0.000 1.032 333 D HN 0.525 nan 8.370 nan 0.000 0.506 334 A N 2.709 125.532 122.820 0.005 0.000 2.322 334 A HA 0.772 5.094 4.320 0.003 0.000 0.327 334 A C -0.327 177.335 177.584 0.130 0.000 1.134 334 A CA -0.630 51.426 52.037 0.032 0.000 0.831 334 A CB 1.348 20.368 19.000 0.033 0.000 1.288 334 A HN 0.576 nan 8.150 nan 0.000 0.472 335 S N -0.185 115.629 115.700 0.190 0.000 2.548 335 S HA 0.825 5.297 4.470 0.003 0.000 0.286 335 S C 0.405 175.227 174.600 0.369 0.000 1.098 335 S CA 0.479 58.814 58.200 0.225 0.000 0.930 335 S CB 1.132 64.426 63.200 0.156 0.000 1.070 335 S HN 2.815 nan 8.310 nan 0.000 0.480 336 G N 1.487 110.431 108.800 0.240 0.000 2.498 336 G HA2 0.355 4.317 3.960 0.003 0.000 0.251 336 G HA3 0.355 4.317 3.960 0.003 0.000 0.251 336 G C 0.779 175.717 174.900 0.064 0.000 1.170 336 G CA 0.331 45.517 45.100 0.144 0.000 0.944 336 G HN 2.893 nan 8.290 nan 0.000 0.567 337 G N -3.243 105.476 108.800 -0.135 0.000 2.699 337 G HA2 0.383 4.345 3.960 0.003 0.000 0.686 337 G HA3 0.383 4.345 3.960 0.003 0.000 0.686 337 G C 0.559 175.089 174.900 -0.616 0.000 1.301 337 G CA 1.195 46.047 45.100 -0.413 0.000 0.816 337 G HN 2.413 nan 8.290 nan 0.000 0.595 338 V N -2.242 117.332 119.914 -0.567 0.000 3.330 338 V HA 0.434 4.556 4.120 0.003 0.000 0.309 338 V C 1.907 177.812 176.094 -0.314 0.000 1.481 338 V CA 1.244 63.285 62.300 -0.431 0.000 1.068 338 V CB -0.877 30.808 31.823 -0.230 0.000 0.935 338 V HN 1.444 nan 8.190 nan 0.000 0.453 339 F N -0.193 119.702 119.950 -0.091 0.000 2.216 339 F HA 0.228 4.757 4.527 0.003 0.000 0.300 339 F C 1.590 177.193 175.800 -0.329 0.000 1.085 339 F CA 1.042 58.918 58.000 -0.208 0.000 1.326 339 F CB -1.097 37.722 39.000 -0.300 0.000 1.027 339 F HN 0.176 nan 8.300 nan 0.000 0.497 340 F N 0.943 120.847 119.950 -0.078 0.000 2.639 340 F HA 0.522 5.051 4.527 0.003 0.000 0.300 340 F C 1.496 176.990 175.800 -0.510 0.000 1.109 340 F CA 0.027 57.840 58.000 -0.313 0.000 1.335 340 F CB 0.005 38.638 39.000 -0.612 0.000 1.014 340 F HN 0.303 nan 8.300 nan 0.000 0.537 341 G N 0.801 109.434 108.800 -0.279 0.000 2.584 341 G HA2 -0.207 3.755 3.960 0.003 0.000 0.229 341 G HA3 -0.207 3.755 3.960 0.003 0.000 0.229 341 G C -1.270 173.283 174.900 -0.579 0.000 1.320 341 G CA -0.223 44.421 45.100 -0.761 0.000 0.891 341 G HN 0.592 nan 8.290 nan 0.000 0.573 342 H N -0.955 117.625 119.070 -0.817 0.000 3.136 342 H HA 0.656 5.215 4.556 0.004 0.000 0.313 342 H C 0.467 175.695 175.328 -0.167 0.000 1.103 342 H CA 1.928 57.751 56.048 -0.375 0.000 1.437 342 H CB 0.852 30.306 29.762 -0.515 0.000 2.063 342 H HN 2.702 nan 8.280 nan 0.000 0.495 343 G N 2.616 111.152 108.800 -0.440 0.000 2.466 343 G HA2 -0.225 3.737 3.960 0.003 0.000 0.218 343 G HA3 -0.225 3.737 3.960 0.003 0.000 0.218 343 G C 1.262 176.113 174.900 -0.082 0.000 1.237 343 G CA 0.261 45.174 45.100 -0.312 0.000 0.954 343 G HN 1.314 nan 8.290 nan 0.000 0.580 344 I N -2.469 118.058 120.570 -0.071 0.000 2.614 344 I HA 0.114 4.286 4.170 0.003 0.000 0.258 344 I C 1.668 177.726 176.117 -0.098 0.000 1.189 344 I CA 1.874 63.121 61.300 -0.089 0.000 1.462 344 I CB -0.264 37.634 38.000 -0.171 0.000 1.092 344 I HN 0.467 nan 8.210 nan 0.000 0.442 345 H N 0.664 119.754 119.070 0.034 0.000 2.517 345 H HA 0.211 4.769 4.556 0.003 0.000 0.282 345 H C 0.071 175.456 175.328 0.094 0.000 1.023 345 H CA -0.536 55.554 56.048 0.070 0.000 1.169 345 H CB -0.128 29.645 29.762 0.019 0.000 1.454 345 H HN 0.347 nan 8.280 nan 0.000 0.556 346 F N 2.138 122.099 119.950 0.018 0.000 2.623 346 F HA -0.109 4.419 4.527 0.003 0.000 0.386 346 F C 0.968 176.765 175.800 -0.005 0.000 1.068 346 F CA -0.342 57.636 58.000 -0.037 0.000 1.265 346 F CB 0.360 39.319 39.000 -0.070 0.000 1.026 346 F HN 0.147 nan 8.300 nan 0.000 0.568 347 C N 8.741 127.669 119.300 -0.619 0.000 1.912 347 C HA -0.152 4.310 4.460 0.003 0.000 0.414 347 C C 1.782 176.561 174.990 -0.351 0.000 1.545 347 C CA 0.085 58.823 59.018 -0.466 0.000 1.468 347 C CB -1.833 25.561 27.740 -0.577 0.000 2.697 347 C HN 1.029 nan 8.230 nan 0.000 0.597 348 L N 5.848 126.936 121.223 -0.225 0.000 2.201 348 L HA 0.172 4.514 4.340 0.003 0.000 0.212 348 L C 2.094 178.788 176.870 -0.292 0.000 1.105 348 L CA 2.359 57.050 54.840 -0.248 0.000 0.775 348 L CB -0.316 41.516 42.059 -0.378 0.000 0.913 348 L HN 0.883 nan 8.230 nan 0.000 0.440 349 G N -2.118 106.501 108.800 -0.301 0.000 3.609 349 G HA2 0.305 4.267 3.960 0.003 0.000 0.280 349 G HA3 0.305 4.267 3.960 0.003 0.000 0.280 349 G C 1.314 176.074 174.900 -0.233 0.000 1.155 349 G CA 0.360 45.357 45.100 -0.171 0.000 0.876 349 G HN 0.476 nan 8.290 nan 0.000 0.535 350 A N 0.632 123.176 122.820 -0.459 0.000 1.883 350 A HA -0.165 4.157 4.320 0.003 0.000 0.217 350 A C 2.229 179.596 177.584 -0.361 0.000 1.186 350 A CA 2.172 53.676 52.037 -0.889 0.000 0.624 350 A CB -0.271 18.181 19.000 -0.912 0.000 0.822 350 A HN 0.421 nan 8.150 nan 0.000 0.444 351 Q N -0.760 118.970 119.800 -0.117 0.000 2.050 351 Q HA -0.122 4.219 4.340 0.003 0.000 0.202 351 Q C 1.879 177.896 176.000 0.029 0.000 0.980 351 Q CA 1.707 57.510 55.803 0.001 0.000 0.840 351 Q CB -0.542 28.220 28.738 0.040 0.000 0.898 351 Q HN 0.502 nan 8.270 nan 0.000 0.424 352 L N 0.261 121.511 121.223 0.046 0.000 1.989 352 L HA -0.134 4.208 4.340 0.003 0.000 0.211 352 L C 2.131 179.040 176.870 0.064 0.000 1.071 352 L CA 2.492 57.373 54.840 0.069 0.000 0.749 352 L CB -1.341 40.797 42.059 0.131 0.000 0.890 352 L HN 0.266 nan 8.230 nan 0.000 0.431 353 A N -0.575 122.282 122.820 0.062 0.000 1.892 353 A HA -0.285 4.037 4.320 0.003 0.000 0.218 353 A C 2.436 180.124 177.584 0.173 0.000 1.188 353 A CA 2.189 54.309 52.037 0.139 0.000 0.631 353 A CB -0.643 18.511 19.000 0.257 0.000 0.822 353 A HN 0.524 nan 8.150 nan 0.000 0.447 354 R N -1.395 119.212 120.500 0.178 0.000 2.083 354 R HA -0.114 4.228 4.340 0.003 0.000 0.237 354 R C 2.051 178.421 176.300 0.117 0.000 1.137 354 R CA 1.425 57.632 56.100 0.179 0.000 0.951 354 R CB -0.486 29.917 30.300 0.173 0.000 0.851 354 R HN 0.411 nan 8.270 nan 0.000 0.434 355 L N 1.324 122.599 121.223 0.087 0.000 1.994 355 L HA -0.156 4.186 4.340 0.003 0.000 0.208 355 L C 1.991 178.898 176.870 0.061 0.000 1.071 355 L CA 1.759 56.638 54.840 0.065 0.000 0.745 355 L CB -0.749 41.339 42.059 0.048 0.000 0.892 355 L HN 0.179 nan 8.230 nan 0.000 0.431 356 E N -1.084 119.149 120.200 0.055 0.000 2.058 356 E HA -0.217 4.135 4.350 0.003 0.000 0.194 356 E C 2.077 178.706 176.600 0.049 0.000 0.997 356 E CA 1.142 57.562 56.400 0.033 0.000 0.801 356 E CB -0.454 29.258 29.700 0.020 0.000 0.746 356 E HN 0.606 nan 8.360 nan 0.000 0.450 357 G N 0.789 109.641 108.800 0.086 0.000 2.402 357 G HA2 -0.263 3.699 3.960 0.003 0.000 0.216 357 G HA3 -0.263 3.699 3.960 0.003 0.000 0.216 357 G C 1.539 176.520 174.900 0.136 0.000 1.162 357 G CA 0.583 45.754 45.100 0.117 0.000 0.777 357 G HN 0.089 nan 8.290 nan 0.000 0.539 358 R N -0.309 120.261 120.500 0.117 0.000 2.066 358 R HA 0.011 4.353 4.340 0.003 0.000 0.232 358 R C 2.728 179.096 176.300 0.113 0.000 1.131 358 R CA 1.168 57.334 56.100 0.110 0.000 0.955 358 R CB -0.622 29.727 30.300 0.081 0.000 0.851 358 R HN 0.266 nan 8.270 nan 0.000 0.432 359 V N 1.126 121.095 119.914 0.093 0.000 2.233 359 V HA -0.293 3.829 4.120 0.003 0.000 0.247 359 V C 2.447 178.621 176.094 0.134 0.000 1.050 359 V CA 2.113 64.469 62.300 0.094 0.000 1.010 359 V CB -0.915 30.945 31.823 0.062 0.000 0.637 359 V HN 0.460 nan 8.190 nan 0.000 0.444 360 A N -0.072 122.814 122.820 0.109 0.000 1.873 360 A HA -0.224 4.098 4.320 0.003 0.000 0.218 360 A C 2.178 179.957 177.584 0.326 0.000 1.193 360 A CA 2.413 54.536 52.037 0.144 0.000 0.629 360 A CB -0.635 18.343 19.000 -0.036 0.000 0.826 360 A HN 0.535 nan 8.150 nan 0.000 0.447 361 I N -0.761 119.970 120.570 0.269 0.000 2.233 361 I HA -0.112 4.060 4.170 0.003 0.000 0.243 361 I C 2.749 179.074 176.117 0.348 0.000 1.093 361 I CA 0.946 62.447 61.300 0.334 0.000 1.380 361 I CB -0.810 37.346 38.000 0.261 0.000 1.067 361 I HN 0.398 nan 8.210 nan 0.000 0.413 362 G N 1.167 110.111 108.800 0.239 0.000 2.459 362 G HA2 -0.211 3.751 3.960 0.003 0.000 0.217 362 G HA3 -0.211 3.751 3.960 0.003 0.000 0.217 362 G C 1.830 176.848 174.900 0.197 0.000 1.183 362 G CA 0.433 45.647 45.100 0.190 0.000 0.776 362 G HN 0.207 nan 8.290 nan 0.000 0.552 363 R N -0.332 120.279 120.500 0.184 0.000 2.066 363 R HA 0.004 4.346 4.340 0.003 0.000 0.232 363 R C 2.534 178.905 176.300 0.119 0.000 1.131 363 R CA 1.107 57.295 56.100 0.148 0.000 0.955 363 R CB -1.048 29.343 30.300 0.151 0.000 0.851 363 R HN 0.404 nan 8.270 nan 0.000 0.432 364 L N 0.593 121.900 121.223 0.141 0.000 2.021 364 L HA -0.183 4.159 4.340 0.003 0.000 0.215 364 L C 2.032 178.826 176.870 -0.126 0.000 1.074 364 L CA 1.841 56.636 54.840 -0.075 0.000 0.760 364 L CB -0.612 41.363 42.059 -0.140 0.000 0.889 364 L HN -0.016 nan 8.230 nan 0.000 0.433 365 F N -0.503 119.449 119.950 0.003 0.000 2.259 365 F HA -0.007 4.522 4.527 0.004 0.000 0.298 365 F C 2.417 178.219 175.800 0.003 0.000 1.088 365 F CA 1.035 59.037 58.000 0.003 0.000 1.358 365 F CB -0.993 38.023 39.000 0.026 0.000 1.040 365 F HN 0.207 nan 8.300 nan 0.000 0.505 366 A N -0.086 122.833 122.820 0.165 0.000 1.858 366 A HA -0.280 4.042 4.320 0.003 0.000 0.216 366 A C 1.870 179.474 177.584 0.034 0.000 1.190 366 A CA 2.307 54.399 52.037 0.090 0.000 0.617 366 A CB -1.133 17.916 19.000 0.082 0.000 0.827 366 A HN 0.352 nan 8.150 nan 0.000 0.443 367 D N -1.472 118.929 120.400 0.002 0.000 2.178 367 D HA -0.059 4.583 4.640 0.003 0.000 0.202 367 D C 0.641 176.898 176.300 -0.072 0.000 0.974 367 D CA 0.754 54.733 54.000 -0.036 0.000 0.841 367 D CB 0.161 40.930 40.800 -0.051 0.000 0.953 367 D HN 0.120 nan 8.370 nan 0.000 0.478 368 R N -0.165 120.264 120.500 -0.118 0.000 2.651 368 R HA 0.222 4.564 4.340 0.003 0.000 0.282 368 R C -2.207 174.001 176.300 -0.154 0.000 1.565 368 R CA -1.458 54.548 56.100 -0.158 0.000 1.661 368 R CB 0.957 31.113 30.300 -0.240 0.000 1.189 368 R HN 0.160 nan 8.270 nan 0.000 0.621 369 P HA -0.007 nan 4.420 nan 0.000 0.230 369 P C 0.284 177.572 177.300 -0.019 0.000 1.158 369 P CA 0.808 63.902 63.100 -0.010 0.000 0.769 369 P CB 0.445 32.154 31.700 0.014 0.000 0.807 370 E N -0.946 119.221 120.200 -0.054 0.000 2.465 370 E HA 0.099 4.451 4.350 0.003 0.000 0.195 370 E C 0.155 176.709 176.600 -0.076 0.000 1.028 370 E CA -0.578 55.795 56.400 -0.046 0.000 0.899 370 E CB -0.157 29.520 29.700 -0.037 0.000 1.032 370 E HN 0.101 nan 8.360 nan 0.000 0.468 371 L N 1.707 122.845 121.223 -0.142 0.000 2.615 371 L HA 0.048 4.390 4.340 0.003 0.000 0.284 371 L C -0.403 176.405 176.870 -0.104 0.000 1.237 371 L CA 0.594 55.319 54.840 -0.191 0.000 0.905 371 L CB 0.314 42.130 42.059 -0.406 0.000 1.149 371 L HN 0.022 nan 8.230 nan 0.000 0.499 372 A N 5.220 127.991 122.820 -0.082 0.000 2.594 372 A HA 0.558 4.880 4.320 0.003 0.000 0.295 372 A C -1.022 176.542 177.584 -0.034 0.000 1.071 372 A CA -0.845 51.170 52.037 -0.036 0.000 0.685 372 A CB 0.728 19.714 19.000 -0.024 0.000 1.285 372 A HN 0.690 nan 8.150 nan 0.000 0.405 373 L N 0.973 122.188 121.223 -0.012 0.000 2.485 373 L HA 0.274 4.616 4.340 0.003 0.000 0.275 373 L C 1.322 178.182 176.870 -0.017 0.000 1.207 373 L CA 0.309 55.142 54.840 -0.012 0.000 0.855 373 L CB 1.228 43.288 42.059 0.002 0.000 1.114 373 L HN 0.938 nan 8.230 nan 0.000 0.485 374 A N 3.928 126.735 122.820 -0.022 0.000 2.423 374 A HA 0.450 4.772 4.320 0.003 0.000 0.246 374 A C 0.010 177.584 177.584 -0.017 0.000 1.278 374 A CA -0.001 52.023 52.037 -0.022 0.000 0.903 374 A CB -0.020 18.963 19.000 -0.027 0.000 0.997 374 A HN 0.498 nan 8.150 nan 0.000 0.510 375 V N -5.132 114.774 119.914 -0.013 0.000 3.206 375 V HA 0.879 5.001 4.120 0.003 0.000 0.305 375 V C 0.281 176.374 176.094 -0.001 0.000 1.257 375 V CA -0.548 61.747 62.300 -0.008 0.000 1.057 375 V CB 0.746 32.562 31.823 -0.012 0.000 1.075 375 V HN 0.511 nan 8.190 nan 0.000 0.443 376 G N 0.201 109.004 108.800 0.004 0.000 2.432 376 G HA2 0.343 4.305 3.960 0.003 0.000 0.239 376 G HA3 0.343 4.305 3.960 0.003 0.000 0.239 376 G C 0.620 175.531 174.900 0.019 0.000 1.291 376 G CA -0.068 45.038 45.100 0.011 0.000 0.863 376 G HN 1.105 nan 8.290 nan 0.000 0.560 377 L N 1.115 122.354 121.223 0.026 0.000 2.051 377 L HA -0.163 4.179 4.340 0.003 0.000 0.214 377 L C 2.593 179.500 176.870 0.061 0.000 1.076 377 L CA 2.392 57.259 54.840 0.045 0.000 0.758 377 L CB -0.206 41.880 42.059 0.045 0.000 0.890 377 L HN 0.831 nan 8.230 nan 0.000 0.433 378 D N -1.149 119.281 120.400 0.049 0.000 2.348 378 D HA -0.203 4.438 4.640 0.003 0.000 0.216 378 D C 1.062 177.395 176.300 0.055 0.000 0.970 378 D CA 0.781 54.814 54.000 0.056 0.000 0.889 378 D CB -0.081 40.743 40.800 0.040 0.000 0.912 378 D HN 0.595 nan 8.370 nan 0.000 0.524 379 E N 0.377 120.601 120.200 0.040 0.000 2.476 379 E HA 0.181 4.533 4.350 0.003 0.000 0.199 379 E C 0.595 177.204 176.600 0.015 0.000 1.021 379 E CA -0.327 56.090 56.400 0.028 0.000 0.907 379 E CB 0.571 30.279 29.700 0.013 0.000 0.974 379 E HN 0.232 nan 8.360 nan 0.000 0.489 380 L N 2.184 123.413 121.223 0.010 0.000 2.490 380 L HA 0.034 4.376 4.340 0.003 0.000 0.274 380 L C -0.059 176.774 176.870 -0.062 0.000 1.201 380 L CA -0.135 54.671 54.840 -0.057 0.000 0.869 380 L CB 0.598 42.601 42.059 -0.094 0.000 1.123 380 L HN -0.073 nan 8.230 nan 0.000 0.484 381 V N 4.127 123.965 119.914 -0.127 0.000 2.370 381 V HA 0.247 4.369 4.120 0.003 0.000 0.279 381 V C -0.331 175.646 176.094 -0.194 0.000 1.029 381 V CA -0.527 61.730 62.300 -0.071 0.000 0.870 381 V CB 0.930 32.724 31.823 -0.049 0.000 0.984 381 V HN 0.361 nan 8.190 nan 0.000 0.451 382 Y N 3.455 123.780 120.300 0.041 0.000 2.320 382 Y HA 0.493 5.045 4.550 0.004 0.000 0.324 382 Y C 1.101 176.995 175.900 -0.010 0.000 1.190 382 Y CA -0.602 57.527 58.100 0.049 0.000 1.215 382 Y CB 0.901 39.427 38.460 0.110 0.000 1.221 382 Y HN 0.502 nan 8.280 nan 0.000 0.486 383 R N 2.074 122.652 120.500 0.131 0.000 2.623 383 R HA 0.158 4.500 4.340 0.003 0.000 0.271 383 R C -0.410 175.795 176.300 -0.158 0.000 1.043 383 R CA -0.123 55.973 56.100 -0.006 0.000 1.083 383 R CB 0.310 30.632 30.300 0.037 0.000 0.974 383 R HN 0.533 nan 8.270 nan 0.000 0.436 384 R N 1.461 121.685 120.500 -0.461 0.000 2.205 384 R HA 0.170 4.512 4.340 0.003 0.000 0.342 384 R C -0.517 175.443 176.300 -0.566 0.000 1.058 384 R CA -0.066 55.347 56.100 -1.146 0.000 0.904 384 R CB 1.201 30.756 30.300 -1.242 0.000 1.089 384 R HN 0.436 nan 8.270 nan 0.000 0.471 385 S N 0.615 116.166 115.700 -0.248 0.000 2.562 385 S HA 0.102 4.574 4.470 0.003 0.000 0.274 385 S C 0.629 175.512 174.600 0.471 0.000 1.160 385 S CA -0.718 57.565 58.200 0.138 0.000 0.933 385 S CB 1.490 64.772 63.200 0.136 0.000 1.100 385 S HN 0.646 nan 8.310 nan 0.000 0.468 386 T N 2.498 117.267 114.554 0.359 0.000 3.129 386 T HA 0.141 4.493 4.350 0.003 0.000 0.251 386 T C 1.299 176.152 174.700 0.256 0.000 1.117 386 T CA 0.502 62.811 62.100 0.347 0.000 1.034 386 T CB -0.028 68.867 68.868 0.044 0.000 0.968 386 T HN 0.428 nan 8.240 nan 0.000 0.526 387 L N 1.566 122.918 121.223 0.216 0.000 2.362 387 L HA 0.511 4.853 4.340 0.003 0.000 0.204 387 L C 0.415 177.400 176.870 0.190 0.000 1.060 387 L CA 0.363 55.303 54.840 0.167 0.000 0.827 387 L CB 0.770 42.900 42.059 0.119 0.000 1.027 387 L HN 0.314 nan 8.230 nan 0.000 0.474 388 V N -1.066 118.975 119.914 0.211 0.000 2.769 388 V HA 0.668 4.790 4.120 0.003 0.000 0.312 388 V C -0.533 175.706 176.094 0.242 0.000 1.061 388 V CA -0.854 61.568 62.300 0.203 0.000 0.931 388 V CB 1.686 33.613 31.823 0.173 0.000 1.010 388 V HN 0.366 nan 8.190 nan 0.000 0.433 389 R N 2.819 123.449 120.500 0.216 0.000 2.247 389 R HA 0.804 5.145 4.340 0.003 0.000 0.329 389 R C -0.227 176.230 176.300 0.261 0.000 1.014 389 R CA 0.462 56.687 56.100 0.208 0.000 0.907 389 R CB 0.785 31.160 30.300 0.124 0.000 1.146 389 R HN 1.423 nan 8.270 nan 0.000 0.499 390 G N 3.591 112.601 108.800 0.349 0.000 2.746 390 G HA2 0.387 4.349 3.960 0.003 0.000 0.297 390 G HA3 0.387 4.349 3.960 0.003 0.000 0.297 390 G C -1.364 173.680 174.900 0.241 0.000 1.426 390 G CA -0.881 44.389 45.100 0.283 0.000 0.989 390 G HN 0.453 nan 8.290 nan 0.000 0.520 391 L N 1.420 122.657 121.223 0.023 0.000 2.416 391 L HA 0.214 4.556 4.340 0.003 0.000 0.272 391 L C 1.937 178.740 176.870 -0.111 0.000 1.161 391 L CA -0.326 54.364 54.840 -0.249 0.000 0.845 391 L CB 1.664 43.564 42.059 -0.265 0.000 1.119 391 L HN 0.651 nan 8.230 nan 0.000 0.464 392 S N 2.882 118.496 115.700 -0.143 0.000 2.371 392 S HA 0.088 4.560 4.470 0.003 0.000 0.224 392 S C 0.738 175.281 174.600 -0.094 0.000 1.029 392 S CA 0.868 59.014 58.200 -0.090 0.000 0.978 392 S CB 0.172 63.321 63.200 -0.084 0.000 0.833 392 S HN 0.640 nan 8.310 nan 0.000 0.466 393 R N -0.614 119.819 120.500 -0.111 0.000 2.710 393 R HA 0.457 4.798 4.340 0.003 0.000 0.270 393 R C -1.381 174.863 176.300 -0.092 0.000 1.021 393 R CA -0.369 55.679 56.100 -0.087 0.000 0.889 393 R CB 1.604 31.857 30.300 -0.078 0.000 1.243 393 R HN 0.254 nan 8.270 nan 0.000 0.464 394 M N 2.972 122.537 119.600 -0.059 0.000 1.980 394 M HA 0.354 4.836 4.480 0.003 0.000 0.282 394 M C -2.678 173.600 176.300 -0.038 0.000 0.878 394 M CA -1.904 53.365 55.300 -0.051 0.000 0.900 394 M CB 1.835 34.417 32.600 -0.030 0.000 1.577 394 M HN 0.186 nan 8.290 nan 0.000 0.396 395 P HA 0.173 nan 4.420 nan 0.000 0.271 395 P C -0.957 176.322 177.300 -0.035 0.000 1.233 395 P CA -0.143 62.935 63.100 -0.036 0.000 0.764 395 P CB 0.583 32.262 31.700 -0.034 0.000 0.825 396 V N 0.698 120.587 119.914 -0.042 0.000 3.040 396 V HA 0.695 4.817 4.120 0.003 0.000 0.312 396 V C -0.403 175.657 176.094 -0.057 0.000 1.115 396 V CA -0.735 61.534 62.300 -0.052 0.000 0.998 396 V CB 2.044 33.824 31.823 -0.072 0.000 1.042 396 V HN 0.292 nan 8.190 nan 0.000 0.433 397 T N 4.680 119.197 114.554 -0.061 0.000 2.753 397 T HA 0.365 4.717 4.350 0.003 0.000 0.297 397 T C 1.119 175.765 174.700 -0.090 0.000 0.981 397 T CA -0.482 61.580 62.100 -0.064 0.000 0.956 397 T CB 1.138 69.976 68.868 -0.050 0.000 0.936 397 T HN 0.629 nan 8.240 nan 0.000 0.463 398 M N 1.988 121.528 119.600 -0.101 0.000 2.086 398 M HA 0.102 4.583 4.480 0.003 0.000 0.261 398 M C 1.584 177.812 176.300 -0.120 0.000 1.067 398 M CA 1.442 56.662 55.300 -0.133 0.000 1.116 398 M CB -1.674 30.849 32.600 -0.128 0.000 1.348 398 M HN 0.971 nan 8.290 nan 0.000 0.407 399 G N 0.695 109.443 108.800 -0.086 0.000 2.760 399 G HA2 -0.139 3.823 3.960 0.003 0.000 0.246 399 G HA3 -0.139 3.823 3.960 0.003 0.000 0.246 399 G C -2.716 172.144 174.900 -0.066 0.000 1.359 399 G CA -0.803 44.255 45.100 -0.069 0.000 0.861 399 G HN 0.264 nan 8.290 nan 0.000 0.541 400 P HA 0.252 nan 4.420 nan 0.000 0.271 400 P C 0.464 177.735 177.300 -0.048 0.000 1.216 400 P CA -0.083 62.991 63.100 -0.043 0.000 0.771 400 P CB 0.547 32.228 31.700 -0.031 0.000 0.864 401 R N 1.148 121.621 120.500 -0.045 0.000 2.861 401 R HA 0.151 4.493 4.340 0.003 0.000 0.268 401 R C 1.138 177.420 176.300 -0.030 0.000 1.027 401 R CA 0.031 56.106 56.100 -0.042 0.000 1.163 401 R CB -0.074 30.205 30.300 -0.035 0.000 1.060 401 R HN 0.495 nan 8.270 nan 0.000 0.483 402 S N 0.000 115.686 115.700 -0.024 0.000 2.498 402 S HA 0.000 4.472 4.470 0.003 0.000 0.327 402 S CA 0.000 58.193 58.200 -0.012 0.000 1.107 402 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 402 S HN 0.000 nan 8.310 nan 0.000 0.517