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 3ite_1_B DATA FIRST_RESID 12 DATA SEQUENCE TSTVPPSHYI ETWAKTHPEW KAVEVATGFX XXXXIVTEDW TYKKLNETAN DATA SEQUENCE QVANLIIHAS LHGRAIAVSL DRSLIAFAII VGIXKSGNTY VPIEAGLPND DATA SEQUENCE RKSFLLRDSR AAXAFVCDNN FDGVELPPET KVLDTKNQSF IENLSTQDTS DATA SEQUENCE DILNNYPENL DAYLLYTSGX XGTPKGVRVS RHNLSSFSDA WGKLIGNVAP DATA SEQUENCE KSLELGGVGK FLCLASRAFD VHIGEXFLAW RFGLCAVTGE RLSXLDDLPR DATA SEQUENCE TFRELGVTHA GIVPSLLDQT GLVPEDAPHL VYLGVGGEKX TPRTQQIWSS DATA SEQUENCE SDRVALVNVY GPTEVTIGCS AGRILPDSDT RCIGHPLGDS VAHVLAPGSN DATA SEQUENCE EHVKKGXAGE LVIEGSLVAN GYLNRPDAKG FCDINGRKXY RTGDIVRXDA DATA SEQUENCE DSSILFLGRK DEQVKXXXQR LELGEVSEVI RSLSPTDIDV VTLLLXXXXX DATA SEQUENCE XXXFLVSFVA SSGAAVRGEL RXXXXNYKEI NNSLRQACEQ TLPAYXVPDF DATA SEQUENCE IIPISFIPLR DTSAKTDAKA LEHXF 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 12 T HA 0.000 nan 4.350 nan 0.000 0.228 12 T C 0.000 174.704 174.700 0.007 0.000 1.109 12 T CA 0.000 62.094 62.100 -0.010 0.000 1.349 12 T CB 0.000 68.900 68.868 0.053 0.000 0.612 13 S N -0.011 115.745 115.700 0.093 0.000 2.595 13 S HA 0.915 5.385 4.470 0.001 0.000 0.281 13 S C -0.606 174.066 174.600 0.120 0.000 1.117 13 S CA 0.009 58.276 58.200 0.112 0.000 0.873 13 S CB 1.727 64.949 63.200 0.037 0.000 1.108 13 S HN 1.890 nan 8.310 nan 0.000 0.477 14 T N -1.644 112.969 114.554 0.098 0.000 2.868 14 T HA 0.670 5.020 4.350 0.001 0.000 0.306 14 T C 0.019 174.695 174.700 -0.039 0.000 1.224 14 T CA -0.474 61.640 62.100 0.024 0.000 1.012 14 T CB 0.496 69.371 68.868 0.011 0.000 1.221 14 T HN 1.745 nan 8.240 nan 0.000 0.499 15 V N -0.744 119.087 119.914 -0.139 0.000 3.096 15 V HA 0.546 4.667 4.120 0.001 0.000 0.306 15 V C -2.452 173.599 176.094 -0.073 0.000 1.088 15 V CA -1.549 60.612 62.300 -0.231 0.000 1.129 15 V CB -0.715 30.707 31.823 -0.669 0.000 1.014 15 V HN 0.853 nan 8.190 nan 0.000 0.486 16 P HA 0.322 nan 4.420 nan 0.000 0.274 16 P C -2.301 175.079 177.300 0.133 0.000 1.246 16 P CA -1.806 61.344 63.100 0.083 0.000 0.795 16 P CB -0.156 31.611 31.700 0.112 0.000 1.006 17 P HA -0.168 nan 4.420 nan 0.000 0.216 17 P C 1.166 178.709 177.300 0.405 0.000 1.150 17 P CA 1.877 65.065 63.100 0.146 0.000 0.843 17 P CB -0.346 31.348 31.700 -0.009 0.000 0.787 18 S N -2.576 113.326 115.700 0.336 0.000 2.671 18 S HA -0.006 4.464 4.470 0.001 0.000 0.220 18 S C 1.681 176.387 174.600 0.177 0.000 0.951 18 S CA -0.081 58.308 58.200 0.314 0.000 0.932 18 S CB -1.255 62.055 63.200 0.183 0.000 0.777 18 S HN 0.171 nan 8.310 nan 0.000 0.508 19 H N 1.174 120.270 119.070 0.044 0.000 2.352 19 H HA -0.107 4.449 4.556 0.001 0.000 0.299 19 H C 1.211 176.333 175.328 -0.344 0.000 1.097 19 H CA 2.200 58.127 56.048 -0.201 0.000 1.311 19 H CB -0.414 29.126 29.762 -0.370 0.000 1.377 19 H HN 0.534 nan 8.280 nan 0.000 0.504 20 Y N -0.247 120.019 120.300 -0.055 0.000 2.263 20 Y HA -0.050 4.500 4.550 0.000 0.000 0.292 20 Y C 2.595 178.350 175.900 -0.242 0.000 1.130 20 Y CA 1.052 58.986 58.100 -0.276 0.000 1.179 20 Y CB -0.245 38.298 38.460 0.139 0.000 0.998 20 Y HN 0.214 nan 8.280 nan 0.000 0.532 21 I N 0.076 120.731 120.570 0.142 0.000 2.163 21 I HA -0.337 3.833 4.170 0.001 0.000 0.243 21 I C 2.065 178.167 176.117 -0.024 0.000 1.085 21 I CA 1.729 63.094 61.300 0.109 0.000 1.347 21 I CB -0.332 37.570 38.000 -0.163 0.000 1.044 21 I HN 0.295 nan 8.210 nan 0.000 0.408 22 E N 0.040 120.138 120.200 -0.170 0.000 2.072 22 E HA -0.155 4.195 4.350 0.001 0.000 0.191 22 E C 2.139 178.538 176.600 -0.336 0.000 0.985 22 E CA 1.705 57.977 56.400 -0.213 0.000 0.801 22 E CB -0.065 29.508 29.700 -0.212 0.000 0.750 22 E HN 0.444 nan 8.360 nan 0.000 0.452 23 T N 0.213 114.404 114.554 -0.605 0.000 2.652 23 T HA -0.188 4.163 4.350 0.001 0.000 0.267 23 T C 1.381 175.738 174.700 -0.573 0.000 1.039 23 T CA 1.540 63.189 62.100 -0.752 0.000 1.153 23 T CB -0.451 67.718 68.868 -1.166 0.000 0.863 23 T HN 0.386 nan 8.240 nan 0.000 0.428 24 W N 1.360 122.509 121.300 -0.250 0.000 2.436 24 W HA 0.214 4.874 4.660 0.001 0.000 0.284 24 W C 2.817 179.154 176.519 -0.303 0.000 1.225 24 W CA 0.052 57.165 57.345 -0.388 0.000 1.271 24 W CB -0.417 28.562 29.460 -0.802 0.000 1.114 24 W HN 0.183 nan 8.180 nan 0.000 0.559 25 A N 1.142 123.968 122.820 0.010 0.000 1.978 25 A HA -0.228 4.093 4.320 0.001 0.000 0.220 25 A C 1.852 179.398 177.584 -0.064 0.000 1.170 25 A CA 1.953 54.015 52.037 0.042 0.000 0.636 25 A CB -0.513 18.502 19.000 0.023 0.000 0.810 25 A HN 0.335 nan 8.150 nan 0.000 0.448 26 K N -1.170 119.150 120.400 -0.133 0.000 2.099 26 K HA -0.038 4.282 4.320 0.001 0.000 0.203 26 K C 2.321 178.801 176.600 -0.201 0.000 1.047 26 K CA 1.547 57.739 56.287 -0.157 0.000 0.963 26 K CB -0.205 32.188 32.500 -0.178 0.000 0.759 26 K HN 0.652 nan 8.250 nan 0.000 0.451 27 T N -1.552 112.854 114.554 -0.248 0.000 2.937 27 T HA -0.037 4.313 4.350 0.001 0.000 0.260 27 T C 0.796 175.034 174.700 -0.770 0.000 1.051 27 T CA 0.619 62.470 62.100 -0.414 0.000 1.141 27 T CB 0.000 68.681 68.868 -0.312 0.000 0.879 27 T HN 0.095 nan 8.240 nan 0.000 0.459 28 H N 1.339 120.168 119.070 -0.402 0.000 2.439 28 H HA 0.288 4.844 4.556 0.000 0.000 0.228 28 H C -2.100 172.988 175.328 -0.400 0.000 1.423 28 H CA -1.667 53.961 56.048 -0.701 0.000 1.386 28 H CB 1.321 29.908 29.762 -1.957 0.000 1.641 28 H HN 0.316 nan 8.280 nan 0.000 0.508 29 P HA -0.186 nan 4.420 nan 0.000 0.219 29 P C 1.346 178.714 177.300 0.112 0.000 1.146 29 P CA 1.248 64.360 63.100 0.020 0.000 0.808 29 P CB 0.455 32.143 31.700 -0.020 0.000 0.779 30 E N -1.516 118.743 120.200 0.098 0.000 2.478 30 E HA -0.090 4.261 4.350 0.001 0.000 0.194 30 E C 0.338 177.150 176.600 0.355 0.000 1.045 30 E CA -0.065 56.444 56.400 0.181 0.000 0.868 30 E CB -0.732 29.053 29.700 0.143 0.000 0.885 30 E HN 0.142 nan 8.360 nan 0.000 0.505 31 W N 2.775 124.201 121.300 0.210 0.000 2.187 31 W HA 0.094 4.754 4.660 0.000 0.000 0.348 31 W C 0.824 177.504 176.519 0.268 0.000 1.282 31 W CA -0.621 56.857 57.345 0.220 0.000 1.271 31 W CB 0.287 29.884 29.460 0.229 0.000 1.170 31 W HN -0.219 nan 8.180 nan 0.000 0.583 32 K N 2.129 122.737 120.400 0.346 0.000 2.276 32 K HA 0.397 4.717 4.320 0.001 0.000 0.283 32 K C 0.564 177.195 176.600 0.051 0.000 1.044 32 K CA -0.076 56.307 56.287 0.160 0.000 0.944 32 K CB 1.131 33.673 32.500 0.070 0.000 1.012 32 K HN 0.469 nan 8.250 nan 0.000 0.472 33 A N 2.205 124.899 122.820 -0.209 0.000 2.013 33 A HA 0.160 4.481 4.320 0.001 0.000 0.204 33 A C 0.439 177.922 177.584 -0.169 0.000 1.262 33 A CA 0.578 52.286 52.037 -0.548 0.000 0.800 33 A CB 0.443 18.751 19.000 -1.153 0.000 0.909 33 A HN 0.483 nan 8.150 nan 0.000 0.472 34 V N -2.231 117.570 119.914 -0.188 0.000 2.971 34 V HA 0.768 4.888 4.120 0.001 0.000 0.309 34 V C -1.183 174.779 176.094 -0.220 0.000 1.130 34 V CA -0.702 61.389 62.300 -0.349 0.000 0.964 34 V CB 1.699 33.151 31.823 -0.618 0.000 1.029 34 V HN 0.377 nan 8.190 nan 0.000 0.427 35 E N 2.144 122.226 120.200 -0.196 0.000 2.304 35 E HA 0.681 5.031 4.350 0.001 0.000 0.277 35 E C -1.654 174.926 176.600 -0.034 0.000 0.898 35 E CA -0.809 55.528 56.400 -0.105 0.000 0.764 35 E CB 2.638 32.294 29.700 -0.073 0.000 1.216 35 E HN 1.470 nan 8.360 nan 0.000 0.419 36 V N 0.832 120.722 119.914 -0.039 0.000 2.555 36 V HA 0.966 5.086 4.120 0.001 0.000 0.302 36 V C -0.481 175.618 176.094 0.007 0.000 1.038 36 V CA -0.547 61.762 62.300 0.016 0.000 0.887 36 V CB 1.310 33.134 31.823 0.002 0.000 0.991 36 V HN 0.741 nan 8.190 nan 0.000 0.434 37 A N 3.701 126.558 122.820 0.061 0.000 2.271 37 A HA 0.871 5.191 4.320 0.001 0.000 0.317 37 A C 0.279 177.948 177.584 0.143 0.000 1.245 37 A CA -0.375 51.682 52.037 0.034 0.000 0.857 37 A CB 0.846 19.861 19.000 0.025 0.000 1.175 37 A HN 1.083 nan 8.150 nan 0.000 0.512 38 T N 0.355 114.921 114.554 0.019 0.000 2.919 38 T HA 0.851 5.201 4.350 0.001 0.000 0.282 38 T C 1.143 175.823 174.700 -0.032 0.000 1.020 38 T CA 0.197 62.351 62.100 0.091 0.000 0.994 38 T CB 1.405 70.299 68.868 0.044 0.000 1.180 38 T HN 2.195 nan 8.240 nan 0.000 0.566 39 G N 0.223 109.080 108.800 0.096 0.000 3.675 39 G HA2 -0.061 3.900 3.960 0.001 0.000 0.275 39 G HA3 -0.061 3.900 3.960 0.001 0.000 0.275 39 G C -0.077 174.929 174.900 0.177 0.000 1.648 39 G CA 0.051 45.174 45.100 0.038 0.000 1.093 39 G HN 1.111 nan 8.290 nan 0.000 0.617 47 V N 4.264 124.063 119.914 -0.191 0.000 2.567 47 V HA 0.696 4.817 4.120 0.001 0.000 0.289 47 V C 0.470 176.499 176.094 -0.110 0.000 1.049 47 V CA -0.163 62.069 62.300 -0.115 0.000 0.969 47 V CB 1.668 33.450 31.823 -0.069 0.000 0.995 47 V HN 0.865 nan 8.190 nan 0.000 0.471 48 T N 1.269 115.775 114.554 -0.079 0.000 2.896 48 T HA 0.804 5.154 4.350 0.001 0.000 0.297 48 T C -0.992 173.680 174.700 -0.047 0.000 1.108 48 T CA -0.848 61.213 62.100 -0.066 0.000 1.004 48 T CB 2.411 71.236 68.868 -0.071 0.000 1.159 48 T HN 0.880 nan 8.240 nan 0.000 0.499 49 E N 0.864 121.032 120.200 -0.054 0.000 2.340 49 E HA 0.694 5.045 4.350 0.001 0.000 0.273 49 E C -1.806 174.740 176.600 -0.089 0.000 0.891 49 E CA -0.989 55.378 56.400 -0.054 0.000 0.757 49 E CB 1.955 31.620 29.700 -0.059 0.000 1.231 49 E HN 0.774 nan 8.360 nan 0.000 0.439 50 D N 0.651 121.020 120.400 -0.051 0.000 2.579 50 D HA 0.453 5.093 4.640 0.001 0.000 0.257 50 D C -1.290 175.077 176.300 0.111 0.000 1.176 50 D CA -0.633 53.337 54.000 -0.050 0.000 0.914 50 D CB 0.674 41.471 40.800 -0.005 0.000 1.431 50 D HN 0.389 nan 8.370 nan 0.000 0.454 51 W N 0.573 121.849 121.300 -0.039 0.000 2.736 51 W HA 0.492 5.152 4.660 0.000 0.000 0.335 51 W C 0.217 176.700 176.519 -0.061 0.000 1.059 51 W CA -1.012 56.307 57.345 -0.045 0.000 1.226 51 W CB 1.637 31.059 29.460 -0.063 0.000 1.416 51 W HN 0.543 nan 8.180 nan 0.000 0.505 52 T N -1.034 113.633 114.554 0.189 0.000 2.748 52 T HA -0.004 4.347 4.350 0.001 0.000 0.304 52 T C 0.908 175.644 174.700 0.061 0.000 1.041 52 T CA 0.310 62.496 62.100 0.142 0.000 1.033 52 T CB 0.661 69.612 68.868 0.138 0.000 0.995 52 T HN 0.348 nan 8.240 nan 0.000 0.536 53 Y N 0.578 120.952 120.300 0.124 0.000 2.207 53 Y HA -0.067 4.483 4.550 0.000 0.000 0.287 53 Y C 2.783 178.672 175.900 -0.018 0.000 1.156 53 Y CA 1.983 60.124 58.100 0.068 0.000 1.182 53 Y CB -0.267 38.288 38.460 0.157 0.000 0.979 53 Y HN 0.733 nan 8.280 nan 0.000 0.521 54 K N 0.566 121.041 120.400 0.125 0.000 2.026 54 K HA -0.259 4.061 4.320 0.001 0.000 0.208 54 K C 2.177 178.722 176.600 -0.091 0.000 1.048 54 K CA 1.797 58.089 56.287 0.009 0.000 0.929 54 K CB -0.099 32.399 32.500 -0.003 0.000 0.713 54 K HN 0.026 nan 8.250 nan 0.000 0.439 55 K N 1.013 121.328 120.400 -0.142 0.000 2.057 55 K HA -0.125 4.195 4.320 0.001 0.000 0.206 55 K C 2.033 178.380 176.600 -0.421 0.000 1.050 55 K CA 1.148 57.228 56.287 -0.345 0.000 0.935 55 K CB -0.505 31.706 32.500 -0.482 0.000 0.715 55 K HN 0.208 nan 8.250 nan 0.000 0.439 56 L N 1.260 122.344 121.223 -0.230 0.000 2.042 56 L HA -0.140 4.200 4.340 0.001 0.000 0.210 56 L C 1.856 178.614 176.870 -0.187 0.000 1.076 56 L CA 2.186 56.945 54.840 -0.134 0.000 0.749 56 L CB -1.059 40.909 42.059 -0.151 0.000 0.893 56 L HN 0.401 nan 8.230 nan 0.000 0.432 57 N N -0.482 118.120 118.700 -0.164 0.000 2.171 57 N HA -0.188 4.552 4.740 0.001 0.000 0.184 57 N C 1.787 177.216 175.510 -0.134 0.000 1.021 57 N CA 1.633 54.601 53.050 -0.136 0.000 0.854 57 N CB -0.092 38.346 38.487 -0.083 0.000 0.994 57 N HN 0.505 nan 8.380 nan 0.000 0.426 58 E N -1.068 119.039 120.200 -0.155 0.000 2.118 58 E HA -0.138 4.212 4.350 0.001 0.000 0.195 58 E C 1.574 178.074 176.600 -0.167 0.000 0.992 58 E CA 1.619 57.928 56.400 -0.153 0.000 0.804 58 E CB -0.098 29.498 29.700 -0.174 0.000 0.741 58 E HN 0.415 nan 8.360 nan 0.000 0.458 59 T N 0.548 114.964 114.554 -0.230 0.000 2.857 59 T HA -0.082 4.268 4.350 0.001 0.000 0.266 59 T C 1.975 176.612 174.700 -0.106 0.000 1.048 59 T CA 1.026 63.000 62.100 -0.210 0.000 1.139 59 T CB -0.156 68.497 68.868 -0.359 0.000 0.874 59 T HN 0.236 nan 8.240 nan 0.000 0.455 60 A N 2.388 125.150 122.820 -0.097 0.000 1.933 60 A HA -0.140 4.180 4.320 0.001 0.000 0.218 60 A C 2.249 179.803 177.584 -0.051 0.000 1.175 60 A CA 1.353 53.351 52.037 -0.065 0.000 0.628 60 A CB -0.557 18.394 19.000 -0.082 0.000 0.814 60 A HN 0.354 nan 8.150 nan 0.000 0.444 61 N N -0.086 118.577 118.700 -0.062 0.000 2.188 61 N HA -0.144 4.596 4.740 0.001 0.000 0.184 61 N C 1.890 177.372 175.510 -0.047 0.000 1.018 61 N CA 1.470 54.492 53.050 -0.047 0.000 0.858 61 N CB -0.411 38.042 38.487 -0.057 0.000 0.989 61 N HN 0.667 nan 8.380 nan 0.000 0.426 62 Q N 0.179 119.943 119.800 -0.059 0.000 2.079 62 Q HA -0.026 4.315 4.340 0.001 0.000 0.200 62 Q C 2.070 178.055 176.000 -0.025 0.000 0.974 62 Q CA 0.915 56.686 55.803 -0.053 0.000 0.840 62 Q CB 0.028 28.721 28.738 -0.075 0.000 0.898 62 Q HN 0.140 nan 8.270 nan 0.000 0.430 63 V N 1.022 120.928 119.914 -0.013 0.000 2.343 63 V HA -0.285 3.835 4.120 0.001 0.000 0.247 63 V C 2.270 178.393 176.094 0.048 0.000 1.051 63 V CA 1.870 64.189 62.300 0.031 0.000 1.036 63 V CB -0.933 30.868 31.823 -0.037 0.000 0.654 63 V HN 0.391 nan 8.190 nan 0.000 0.451 64 A N 0.084 122.912 122.820 0.013 0.000 1.902 64 A HA -0.217 4.103 4.320 0.001 0.000 0.217 64 A C 2.099 179.674 177.584 -0.015 0.000 1.181 64 A CA 1.903 53.956 52.037 0.026 0.000 0.623 64 A CB -0.626 18.393 19.000 0.032 0.000 0.818 64 A HN 0.572 nan 8.150 nan 0.000 0.443 65 N N -0.310 118.347 118.700 -0.070 0.000 2.188 65 N HA -0.112 4.628 4.740 0.001 0.000 0.184 65 N C 1.583 176.925 175.510 -0.281 0.000 1.018 65 N CA 1.151 54.067 53.050 -0.224 0.000 0.858 65 N CB -0.419 37.955 38.487 -0.189 0.000 0.989 65 N HN 0.352 nan 8.380 nan 0.000 0.426 66 L N 1.575 122.770 121.223 -0.047 0.000 2.012 66 L HA -0.070 4.270 4.340 0.001 0.000 0.210 66 L C 2.043 178.970 176.870 0.094 0.000 1.073 66 L CA 1.321 56.210 54.840 0.082 0.000 0.748 66 L CB -0.623 41.545 42.059 0.182 0.000 0.891 66 L HN 0.114 nan 8.230 nan 0.000 0.431 67 I N -1.292 119.338 120.570 0.100 0.000 2.315 67 I HA -0.307 3.863 4.170 0.001 0.000 0.248 67 I C 2.326 178.452 176.117 0.016 0.000 1.117 67 I CA 1.260 62.615 61.300 0.092 0.000 1.404 67 I CB -0.204 37.870 38.000 0.123 0.000 1.071 67 I HN 0.206 nan 8.210 nan 0.000 0.419 68 I N -0.087 120.469 120.570 -0.024 0.000 2.315 68 I HA -0.286 3.884 4.170 0.001 0.000 0.248 68 I C 2.455 178.597 176.117 0.043 0.000 1.117 68 I CA 1.121 62.415 61.300 -0.011 0.000 1.404 68 I CB -0.500 37.484 38.000 -0.026 0.000 1.071 68 I HN 0.274 nan 8.210 nan 0.000 0.419 69 H N 0.516 119.616 119.070 0.050 0.000 2.457 69 H HA 0.076 4.633 4.556 0.000 0.000 0.294 69 H C 2.107 177.448 175.328 0.021 0.000 1.064 69 H CA 0.999 57.071 56.048 0.039 0.000 1.330 69 H CB -0.233 29.551 29.762 0.038 0.000 1.395 69 H HN 0.309 nan 8.280 nan 0.000 0.541 70 A N 0.218 123.109 122.820 0.119 0.000 2.252 70 A HA 0.101 4.421 4.320 0.001 0.000 0.207 70 A C 0.981 178.557 177.584 -0.014 0.000 1.194 70 A CA 0.592 52.657 52.037 0.046 0.000 0.809 70 A CB -0.207 18.809 19.000 0.027 0.000 0.814 70 A HN 0.230 nan 8.150 nan 0.000 0.482 71 S N -1.393 114.288 115.700 -0.031 0.000 3.614 71 S HA -0.139 4.331 4.470 0.001 0.000 0.360 71 S C -0.060 174.302 174.600 -0.397 0.000 1.023 71 S CA 0.805 58.921 58.200 -0.140 0.000 1.114 71 S CB -1.918 61.277 63.200 -0.008 0.000 0.907 71 S HN 0.560 nan 8.310 nan 0.000 0.470 72 L N 2.489 123.435 121.223 -0.462 0.000 2.282 72 L HA 0.573 4.913 4.340 0.001 0.000 0.288 72 L C 0.280 176.794 176.870 -0.593 0.000 1.033 72 L CA -0.505 54.099 54.840 -0.394 0.000 0.807 72 L CB 0.869 42.842 42.059 -0.144 0.000 1.209 72 L HN 0.334 nan 8.230 nan 0.000 0.423 73 H N 2.289 121.371 119.070 0.020 0.000 2.840 73 H HA 0.229 4.786 4.556 0.001 0.000 0.340 73 H C 0.667 175.985 175.328 -0.016 0.000 1.004 73 H CA -0.392 55.657 56.048 0.001 0.000 1.288 73 H CB 2.138 31.918 29.762 0.029 0.000 1.607 73 H HN 0.826 nan 8.280 nan 0.000 0.522 74 G N 3.130 111.958 108.800 0.047 0.000 2.225 74 G HA2 -0.272 3.689 3.960 0.001 0.000 0.267 74 G HA3 -0.272 3.689 3.960 0.001 0.000 0.267 74 G C 0.138 175.045 174.900 0.012 0.000 1.024 74 G CA -0.091 45.015 45.100 0.010 0.000 0.784 74 G HN 0.417 nan 8.290 nan 0.000 0.507 75 R N -0.282 120.224 120.500 0.010 0.000 2.598 75 R HA 0.734 5.074 4.340 0.001 0.000 0.279 75 R C 0.471 176.791 176.300 0.033 0.000 0.984 75 R CA -0.163 55.945 56.100 0.014 0.000 0.999 75 R CB 1.164 31.465 30.300 0.001 0.000 1.114 75 R HN 0.632 nan 8.270 nan 0.000 0.493 76 A N 3.449 126.291 122.820 0.038 0.000 2.454 76 A HA 0.350 4.670 4.320 0.001 0.000 0.260 76 A C 0.098 177.733 177.584 0.084 0.000 1.106 76 A CA -0.087 51.988 52.037 0.063 0.000 0.780 76 A CB 0.002 19.034 19.000 0.053 0.000 1.044 76 A HN 0.481 nan 8.150 nan 0.000 0.498 77 I N 2.650 123.300 120.570 0.133 0.000 2.411 77 I HA 0.395 4.565 4.170 0.001 0.000 0.284 77 I C 0.599 176.846 176.117 0.217 0.000 1.012 77 I CA -0.165 61.240 61.300 0.177 0.000 1.119 77 I CB 0.949 39.102 38.000 0.255 0.000 1.261 77 I HN 0.703 nan 8.210 nan 0.000 0.448 78 A N 6.659 129.586 122.820 0.178 0.000 2.340 78 A HA 0.717 5.037 4.320 0.001 0.000 0.268 78 A C -0.304 177.409 177.584 0.215 0.000 1.100 78 A CA -0.330 51.813 52.037 0.178 0.000 0.803 78 A CB 0.964 20.077 19.000 0.189 0.000 1.043 78 A HN 0.477 nan 8.150 nan 0.000 0.488 79 V N 1.463 121.491 119.914 0.190 0.000 2.525 79 V HA 0.564 4.684 4.120 0.001 0.000 0.299 79 V C -0.030 176.104 176.094 0.066 0.000 1.034 79 V CA -0.288 62.122 62.300 0.184 0.000 0.863 79 V CB 1.725 33.753 31.823 0.342 0.000 0.999 79 V HN 0.879 nan 8.190 nan 0.000 0.423 80 S N 6.073 121.739 115.700 -0.058 0.000 2.389 80 S HA 0.709 5.180 4.470 0.001 0.000 0.201 80 S C -0.878 173.646 174.600 -0.127 0.000 1.422 80 S CA -0.308 57.842 58.200 -0.083 0.000 1.216 80 S CB -0.018 63.143 63.200 -0.065 0.000 1.130 80 S HN 0.572 nan 8.310 nan 0.000 0.465 81 L N 2.395 123.565 121.223 -0.089 0.000 2.279 81 L HA 0.626 4.966 4.340 0.001 0.000 0.262 81 L C -0.106 176.705 176.870 -0.098 0.000 1.019 81 L CA -1.270 53.511 54.840 -0.098 0.000 0.823 81 L CB 1.497 43.500 42.059 -0.092 0.000 1.358 81 L HN 0.534 nan 8.230 nan 0.000 0.432 82 D N 0.227 120.573 120.400 -0.091 0.000 2.393 82 D HA 0.029 4.670 4.640 0.001 0.000 0.246 82 D C -0.190 176.039 176.300 -0.118 0.000 1.275 82 D CA -0.344 53.603 54.000 -0.088 0.000 0.979 82 D CB 0.504 41.265 40.800 -0.065 0.000 1.101 82 D HN 0.252 nan 8.370 nan 0.000 0.505 83 R N 0.281 120.716 120.500 -0.109 0.000 2.608 83 R HA 0.253 4.594 4.340 0.001 0.000 0.277 83 R C -0.208 176.026 176.300 -0.110 0.000 1.341 83 R CA -0.235 55.783 56.100 -0.137 0.000 1.199 83 R CB -0.392 29.850 30.300 -0.096 0.000 1.156 83 R HN 0.565 nan 8.270 nan 0.000 0.558 84 S N 0.433 116.045 115.700 -0.146 0.000 2.689 84 S HA 0.374 4.845 4.470 0.001 0.000 0.306 84 S C 1.280 175.810 174.600 -0.117 0.000 1.104 84 S CA -0.985 57.146 58.200 -0.115 0.000 0.973 84 S CB 1.323 64.465 63.200 -0.095 0.000 1.121 84 S HN 0.376 nan 8.310 nan 0.000 0.523 85 L N 0.637 121.714 121.223 -0.242 0.000 2.046 85 L HA 0.022 4.362 4.340 0.001 0.000 0.208 85 L C 2.464 179.190 176.870 -0.240 0.000 1.077 85 L CA 1.230 55.799 54.840 -0.453 0.000 0.747 85 L CB -0.524 40.633 42.059 -1.504 0.000 0.896 85 L HN 0.737 nan 8.230 nan 0.000 0.432 86 I N -0.071 120.417 120.570 -0.137 0.000 2.454 86 I HA -0.266 3.904 4.170 0.001 0.000 0.254 86 I C 2.602 178.762 176.117 0.072 0.000 1.156 86 I CA 0.939 62.340 61.300 0.169 0.000 1.433 86 I CB 0.005 38.143 38.000 0.230 0.000 1.082 86 I HN 0.220 nan 8.210 nan 0.000 0.432 87 A N 0.711 123.499 122.820 -0.052 0.000 1.908 87 A HA -0.234 4.087 4.320 0.001 0.000 0.218 87 A C 1.933 179.438 177.584 -0.132 0.000 1.181 87 A CA 1.640 53.587 52.037 -0.150 0.000 0.627 87 A CB -1.062 17.779 19.000 -0.266 0.000 0.818 87 A HN 0.461 nan 8.150 nan 0.000 0.445 88 F N 0.098 120.048 119.950 -0.001 0.000 2.134 88 F HA -0.075 4.453 4.527 0.000 0.000 0.299 88 F C 2.754 178.568 175.800 0.024 0.000 1.097 88 F CA 1.100 59.140 58.000 0.066 0.000 1.264 88 F CB -0.496 38.607 39.000 0.170 0.000 1.001 88 F HN 0.252 nan 8.300 nan 0.000 0.479 89 A N -0.141 122.828 122.820 0.247 0.000 2.014 89 A HA -0.048 4.272 4.320 0.001 0.000 0.218 89 A C 2.196 179.770 177.584 -0.018 0.000 1.163 89 A CA 1.072 53.185 52.037 0.126 0.000 0.652 89 A CB -0.940 18.191 19.000 0.219 0.000 0.808 89 A HN 0.383 nan 8.150 nan 0.000 0.449 90 I N -0.295 120.219 120.570 -0.092 0.000 2.202 90 I HA -0.243 3.927 4.170 0.001 0.000 0.242 90 I C 2.252 178.230 176.117 -0.231 0.000 1.091 90 I CA 1.246 62.368 61.300 -0.296 0.000 1.368 90 I CB -0.271 37.434 38.000 -0.493 0.000 1.058 90 I HN 0.294 nan 8.210 nan 0.000 0.410 91 I N -0.068 120.371 120.570 -0.218 0.000 2.151 91 I HA -0.304 3.866 4.170 0.001 0.000 0.243 91 I C 2.477 178.536 176.117 -0.096 0.000 1.080 91 I CA 1.383 62.490 61.300 -0.321 0.000 1.339 91 I CB -0.433 37.281 38.000 -0.477 0.000 1.039 91 I HN 0.034 nan 8.210 nan 0.000 0.409 92 V N 0.896 120.800 119.914 -0.017 0.000 2.358 92 V HA -0.173 3.947 4.120 0.001 0.000 0.246 92 V C 2.581 178.693 176.094 0.030 0.000 1.047 92 V CA 2.078 64.406 62.300 0.047 0.000 1.035 92 V CB -1.337 30.435 31.823 -0.085 0.000 0.658 92 V HN 0.579 nan 8.190 nan 0.000 0.452 93 G N -0.148 108.640 108.800 -0.021 0.000 2.422 93 G HA2 -0.134 3.826 3.960 0.001 0.000 0.218 93 G HA3 -0.134 3.826 3.960 0.001 0.000 0.218 93 G C 0.897 175.812 174.900 0.026 0.000 1.146 93 G CA 0.376 45.471 45.100 -0.009 0.000 0.769 93 G HN 0.431 nan 8.290 nan 0.000 0.547 97 S N 0.343 116.106 115.700 0.103 0.000 2.593 97 S HA 0.184 4.655 4.470 0.001 0.000 0.217 97 S C 1.238 175.784 174.600 -0.091 0.000 0.966 97 S CA 0.641 58.903 58.200 0.102 0.000 0.914 97 S CB 0.483 63.724 63.200 0.068 0.000 0.776 97 S HN 0.457 nan 8.310 nan 0.000 0.523 98 G N 1.417 109.922 108.800 -0.491 0.000 2.246 98 G HA2 -0.217 3.743 3.960 0.001 0.000 0.273 98 G HA3 -0.217 3.743 3.960 0.001 0.000 0.273 98 G C -0.212 174.449 174.900 -0.399 0.000 1.055 98 G CA 0.087 44.524 45.100 -1.104 0.000 0.851 98 G HN 0.561 nan 8.290 nan 0.000 0.500 99 N N -0.957 117.642 118.700 -0.168 0.000 2.653 99 N HA 0.633 5.374 4.740 0.001 0.000 0.294 99 N C -0.514 175.012 175.510 0.025 0.000 1.305 99 N CA -0.326 52.700 53.050 -0.041 0.000 0.827 99 N CB 1.464 39.960 38.487 0.016 0.000 1.415 99 N HN 0.063 nan 8.380 nan 0.000 0.546 100 T N 0.865 115.462 114.554 0.072 0.000 2.794 100 T HA 0.177 4.528 4.350 0.001 0.000 0.280 100 T C -0.582 174.251 174.700 0.223 0.000 0.987 100 T CA -0.298 61.873 62.100 0.119 0.000 0.993 100 T CB 0.396 69.303 68.868 0.066 0.000 0.939 100 T HN 0.281 nan 8.240 nan 0.000 0.449 101 Y N 3.946 124.330 120.300 0.140 0.000 2.393 101 Y HA 0.450 5.001 4.550 0.000 0.000 0.338 101 Y C -0.692 175.317 175.900 0.182 0.000 1.029 101 Y CA -1.218 56.980 58.100 0.164 0.000 1.239 101 Y CB 0.398 38.965 38.460 0.179 0.000 1.170 101 Y HN 0.340 nan 8.280 nan 0.000 0.515 102 V N 9.779 129.643 119.914 -0.082 0.000 2.276 102 V HA 0.280 4.401 4.120 0.001 0.000 0.268 102 V C -2.308 173.623 176.094 -0.273 0.000 1.032 102 V CA -1.901 60.307 62.300 -0.152 0.000 0.810 102 V CB 0.586 32.440 31.823 0.050 0.000 1.060 102 V HN 0.704 nan 8.190 nan 0.000 0.446 103 P HA 0.243 nan 4.420 nan 0.000 0.267 103 P C -0.511 176.720 177.300 -0.115 0.000 1.205 103 P CA 0.387 63.278 63.100 -0.349 0.000 0.765 103 P CB 1.002 32.511 31.700 -0.319 0.000 0.828 104 I N 2.078 122.624 120.570 -0.040 0.000 2.468 104 I HA 0.191 4.361 4.170 0.001 0.000 0.284 104 I C 0.832 176.934 176.117 -0.025 0.000 1.038 104 I CA -0.899 60.394 61.300 -0.011 0.000 1.083 104 I CB 1.684 39.734 38.000 0.084 0.000 1.223 104 I HN 0.354 nan 8.210 nan 0.000 0.443 105 E N 5.415 125.566 120.200 -0.082 0.000 2.415 105 E HA 0.097 4.447 4.350 0.001 0.000 0.263 105 E C 0.850 177.418 176.600 -0.053 0.000 0.995 105 E CA 0.134 56.468 56.400 -0.110 0.000 0.915 105 E CB 1.463 31.064 29.700 -0.165 0.000 0.951 105 E HN 0.787 nan 8.360 nan 0.000 0.449 106 A N 4.053 126.840 122.820 -0.054 0.000 1.972 106 A HA -0.079 4.241 4.320 0.001 0.000 0.219 106 A C 1.880 179.455 177.584 -0.015 0.000 1.169 106 A CA 1.431 53.457 52.037 -0.018 0.000 0.635 106 A CB -0.434 18.543 19.000 -0.039 0.000 0.810 106 A HN 0.763 nan 8.150 nan 0.000 0.446 107 G N -1.006 107.769 108.800 -0.041 0.000 2.920 107 G HA2 0.324 4.284 3.960 0.001 0.000 0.208 107 G HA3 0.324 4.284 3.960 0.001 0.000 0.208 107 G C 0.507 175.385 174.900 -0.036 0.000 1.159 107 G CA -0.378 44.700 45.100 -0.037 0.000 0.784 107 G HN 0.396 nan 8.290 nan 0.000 0.535 108 L N 1.099 122.299 121.223 -0.038 0.000 2.483 108 L HA 0.182 4.522 4.340 0.001 0.000 0.276 108 L C -1.787 175.062 176.870 -0.034 0.000 1.213 108 L CA -1.569 53.245 54.840 -0.043 0.000 0.843 108 L CB 0.841 42.871 42.059 -0.049 0.000 1.107 108 L HN -0.030 nan 8.230 nan 0.000 0.487 109 P HA 0.049 nan 4.420 nan 0.000 0.267 109 P C -0.157 177.115 177.300 -0.047 0.000 1.200 109 P CA -0.154 62.923 63.100 -0.038 0.000 0.772 109 P CB 0.448 32.124 31.700 -0.041 0.000 0.855 110 N N 1.435 120.106 118.700 -0.048 0.000 2.137 110 N HA -0.168 4.572 4.740 0.001 0.000 0.190 110 N C 1.041 176.503 175.510 -0.080 0.000 1.017 110 N CA 1.473 54.481 53.050 -0.070 0.000 0.859 110 N CB -0.634 37.817 38.487 -0.061 0.000 1.002 110 N HN 0.465 nan 8.380 nan 0.000 0.428 111 D N 0.234 120.597 120.400 -0.061 0.000 2.144 111 D HA -0.035 4.605 4.640 0.001 0.000 0.200 111 D C 1.896 178.173 176.300 -0.037 0.000 0.978 111 D CA 0.698 54.666 54.000 -0.052 0.000 0.833 111 D CB 0.040 40.809 40.800 -0.052 0.000 0.961 111 D HN 0.300 nan 8.370 nan 0.000 0.470 112 R N 0.512 120.984 120.500 -0.046 0.000 2.119 112 R HA 0.035 4.375 4.340 0.001 0.000 0.222 112 R C 2.086 178.364 176.300 -0.036 0.000 1.088 112 R CA 0.535 56.619 56.100 -0.027 0.000 0.984 112 R CB -0.055 30.215 30.300 -0.049 0.000 0.884 112 R HN 0.203 nan 8.270 nan 0.000 0.447 113 K N 0.576 120.925 120.400 -0.084 0.000 2.057 113 K HA -0.053 4.267 4.320 0.001 0.000 0.207 113 K C 2.276 178.764 176.600 -0.187 0.000 1.049 113 K CA 1.510 57.711 56.287 -0.143 0.000 0.931 113 K CB -0.047 32.339 32.500 -0.191 0.000 0.714 113 K HN 0.001 nan 8.250 nan 0.000 0.440 114 S N 0.845 116.453 115.700 -0.154 0.000 2.356 114 S HA -0.137 4.333 4.470 0.001 0.000 0.223 114 S C 1.611 176.157 174.600 -0.089 0.000 1.032 114 S CA 1.006 59.115 58.200 -0.151 0.000 1.005 114 S CB -0.358 62.781 63.200 -0.102 0.000 0.867 114 S HN 0.253 nan 8.310 nan 0.000 0.449 115 F N 2.468 122.319 119.950 -0.165 0.000 2.087 115 F HA -0.174 4.353 4.527 0.000 0.000 0.299 115 F C 1.822 177.493 175.800 -0.214 0.000 1.100 115 F CA 1.340 59.243 58.000 -0.161 0.000 1.226 115 F CB -0.524 38.379 39.000 -0.160 0.000 0.983 115 F HN 0.129 nan 8.300 nan 0.000 0.479 116 L N -0.756 120.262 121.223 -0.342 0.000 2.056 116 L HA -0.227 4.114 4.340 0.001 0.000 0.207 116 L C 2.542 179.193 176.870 -0.365 0.000 1.078 116 L CA 1.044 55.558 54.840 -0.543 0.000 0.749 116 L CB -0.819 40.981 42.059 -0.431 0.000 0.901 116 L HN 0.189 nan 8.230 nan 0.000 0.433 117 L N -0.361 120.715 121.223 -0.244 0.000 2.042 117 L HA -0.256 4.084 4.340 0.001 0.000 0.210 117 L C 2.839 179.606 176.870 -0.171 0.000 1.076 117 L CA 1.462 56.205 54.840 -0.161 0.000 0.749 117 L CB -0.469 41.486 42.059 -0.173 0.000 0.893 117 L HN 0.279 nan 8.230 nan 0.000 0.432 118 R N 0.115 120.472 120.500 -0.239 0.000 2.075 118 R HA -0.167 4.173 4.340 0.001 0.000 0.226 118 R C 1.986 178.133 176.300 -0.254 0.000 1.114 118 R CA 1.740 57.715 56.100 -0.209 0.000 0.972 118 R CB -0.101 30.086 30.300 -0.188 0.000 0.869 118 R HN 0.270 nan 8.270 nan 0.000 0.437 119 D N -0.417 119.707 120.400 -0.460 0.000 2.144 119 D HA -0.119 4.521 4.640 0.001 0.000 0.200 119 D C 1.674 177.906 176.300 -0.113 0.000 0.978 119 D CA 1.552 55.321 54.000 -0.386 0.000 0.833 119 D CB 0.104 40.495 40.800 -0.681 0.000 0.961 119 D HN 0.308 nan 8.370 nan 0.000 0.470 120 S N -0.857 114.805 115.700 -0.063 0.000 2.522 120 S HA -0.019 4.451 4.470 0.001 0.000 0.227 120 S C 0.981 175.582 174.600 0.001 0.000 0.986 120 S CA 0.086 58.314 58.200 0.047 0.000 0.929 120 S CB -0.138 63.123 63.200 0.102 0.000 0.769 120 S HN 0.209 nan 8.310 nan 0.000 0.529 121 R N 0.857 121.335 120.500 -0.036 0.000 3.416 121 R HA -0.124 4.217 4.340 0.001 0.000 0.263 121 R C 0.273 176.568 176.300 -0.008 0.000 1.053 121 R CA 0.708 56.792 56.100 -0.026 0.000 0.705 121 R CB -2.739 27.551 30.300 -0.016 0.000 1.124 121 R HN 0.712 nan 8.270 nan 0.000 0.444 122 A N 0.096 122.914 122.820 -0.004 0.000 2.580 122 A HA 0.416 4.737 4.320 0.001 0.000 0.244 122 A C 1.052 178.642 177.584 0.010 0.000 1.045 122 A CA 0.757 52.806 52.037 0.020 0.000 0.761 122 A CB 0.094 19.116 19.000 0.036 0.000 0.962 122 A HN 0.614 nan 8.150 nan 0.000 0.512 126 F N 1.810 121.657 119.950 -0.170 0.000 2.415 126 F HA 0.610 5.137 4.527 0.000 0.000 0.348 126 F C 0.705 176.287 175.800 -0.364 0.000 1.119 126 F CA -0.080 57.765 58.000 -0.258 0.000 1.069 126 F CB 2.108 41.008 39.000 -0.167 0.000 1.124 126 F HN 0.739 nan 8.300 nan 0.000 0.472 127 V N 0.588 120.325 119.914 -0.295 0.000 3.181 127 V HA 0.913 5.034 4.120 0.001 0.000 0.308 127 V C -0.723 175.222 176.094 -0.249 0.000 1.214 127 V CA -1.252 60.808 62.300 -0.400 0.000 1.053 127 V CB 1.585 32.965 31.823 -0.740 0.000 1.069 127 V HN 1.068 nan 8.190 nan 0.000 0.441 128 C N -1.011 118.172 119.300 -0.195 0.000 3.320 128 C HA 0.793 5.253 4.460 0.001 0.000 0.335 128 C C -0.424 174.517 174.990 -0.082 0.000 1.430 128 C CA 0.211 59.158 59.018 -0.118 0.000 1.271 128 C CB 0.961 28.651 27.740 -0.084 0.000 1.609 128 C HN 1.255 nan 8.230 nan 0.000 0.457 129 D N 0.993 121.364 120.400 -0.049 0.000 2.772 129 D HA -0.187 4.453 4.640 0.001 0.000 0.233 129 D C 0.357 176.648 176.300 -0.015 0.000 1.143 129 D CA 1.692 55.676 54.000 -0.028 0.000 0.700 129 D CB -1.869 38.913 40.800 -0.030 0.000 1.076 129 D HN 1.014 nan 8.370 nan 0.000 0.430 130 N N -1.277 117.417 118.700 -0.009 0.000 2.696 130 N HA -0.284 4.456 4.740 0.001 0.000 0.249 130 N C 0.550 176.087 175.510 0.045 0.000 1.090 130 N CA 0.747 53.808 53.050 0.020 0.000 0.716 130 N CB -0.748 37.749 38.487 0.018 0.000 1.020 130 N HN 0.352 nan 8.380 nan 0.000 0.548 131 N N -0.500 118.220 118.700 0.033 0.000 2.364 131 N HA -0.082 4.658 4.740 0.001 0.000 0.183 131 N C 0.492 176.188 175.510 0.310 0.000 1.022 131 N CA 1.017 54.123 53.050 0.094 0.000 0.883 131 N CB -0.095 38.400 38.487 0.013 0.000 0.965 131 N HN 0.375 nan 8.380 nan 0.000 0.438 132 F N 0.682 120.610 119.950 -0.036 0.000 2.678 132 F HA 0.225 4.753 4.527 0.001 0.000 0.305 132 F C 0.021 175.802 175.800 -0.032 0.000 1.090 132 F CA -1.417 56.560 58.000 -0.037 0.000 1.272 132 F CB -0.245 38.730 39.000 -0.042 0.000 1.060 132 F HN -0.262 nan 8.300 nan 0.000 0.576 133 D N 0.331 120.812 120.400 0.136 0.000 2.451 133 D HA 0.366 5.006 4.640 0.001 0.000 0.254 133 D C 1.317 177.630 176.300 0.022 0.000 1.204 133 D CA 1.492 55.528 54.000 0.059 0.000 0.896 133 D CB 0.221 41.044 40.800 0.039 0.000 1.136 133 D HN 0.437 nan 8.370 nan 0.000 0.499 134 G N 1.548 110.347 108.800 -0.002 0.000 2.141 134 G HA2 -0.219 3.742 3.960 0.001 0.000 0.231 134 G HA3 -0.219 3.742 3.960 0.001 0.000 0.231 134 G C 0.153 175.017 174.900 -0.060 0.000 0.984 134 G CA -0.052 45.032 45.100 -0.025 0.000 0.660 134 G HN 0.502 nan 8.290 nan 0.000 0.525 135 V N 0.595 120.452 119.914 -0.095 0.000 2.427 135 V HA 0.499 4.619 4.120 0.001 0.000 0.286 135 V C 0.451 176.439 176.094 -0.177 0.000 1.034 135 V CA -0.761 61.422 62.300 -0.196 0.000 0.893 135 V CB 1.655 33.224 31.823 -0.423 0.000 0.982 135 V HN 0.348 nan 8.190 nan 0.000 0.452 136 E N 4.378 124.486 120.200 -0.154 0.000 2.217 136 E HA 0.326 4.676 4.350 0.001 0.000 0.279 136 E C -0.694 175.814 176.600 -0.155 0.000 1.068 136 E CA 0.088 56.417 56.400 -0.118 0.000 0.882 136 E CB 0.533 30.183 29.700 -0.083 0.000 1.039 136 E HN 0.488 nan 8.360 nan 0.000 0.418 137 L N 5.888 127.037 121.223 -0.122 0.000 2.326 137 L HA 0.386 4.726 4.340 0.001 0.000 0.278 137 L C -1.929 174.895 176.870 -0.076 0.000 1.092 137 L CA -2.288 52.485 54.840 -0.113 0.000 0.810 137 L CB 0.394 42.423 42.059 -0.050 0.000 1.153 137 L HN 0.327 nan 8.230 nan 0.000 0.439 138 P HA 0.104 nan 4.420 nan 0.000 0.269 138 P C -2.080 175.200 177.300 -0.034 0.000 1.209 138 P CA -1.062 62.006 63.100 -0.052 0.000 0.776 138 P CB 0.112 31.779 31.700 -0.055 0.000 0.876 139 P HA -0.186 nan 4.420 nan 0.000 0.218 139 P C 1.278 178.569 177.300 -0.016 0.000 1.148 139 P CA 1.268 64.357 63.100 -0.018 0.000 0.822 139 P CB -0.197 31.493 31.700 -0.016 0.000 0.784 140 E N -0.208 119.981 120.200 -0.017 0.000 2.338 140 E HA -0.087 4.263 4.350 0.001 0.000 0.197 140 E C -0.125 176.466 176.600 -0.014 0.000 1.007 140 E CA 0.930 57.321 56.400 -0.014 0.000 0.849 140 E CB -1.464 28.227 29.700 -0.014 0.000 0.774 140 E HN 0.135 nan 8.360 nan 0.000 0.506 141 T N 2.589 117.136 114.554 -0.012 0.000 2.738 141 T HA 0.187 4.538 4.350 0.001 0.000 0.293 141 T C -0.066 174.627 174.700 -0.011 0.000 0.913 141 T CA -0.389 61.709 62.100 -0.004 0.000 1.103 141 T CB 0.868 69.746 68.868 0.017 0.000 0.880 141 T HN 0.008 nan 8.240 nan 0.000 0.526 142 K N 3.938 124.317 120.400 -0.035 0.000 2.285 142 K HA 0.334 4.654 4.320 0.001 0.000 0.286 142 K C -1.009 175.524 176.600 -0.111 0.000 1.072 142 K CA -0.472 55.780 56.287 -0.058 0.000 0.913 142 K CB 0.317 32.779 32.500 -0.062 0.000 1.067 142 K HN 0.320 nan 8.250 nan 0.000 0.479 143 V N 6.944 126.802 119.914 -0.093 0.000 2.347 143 V HA 0.373 4.493 4.120 0.001 0.000 0.280 143 V C -0.279 175.693 176.094 -0.203 0.000 1.021 143 V CA -0.776 61.445 62.300 -0.132 0.000 0.847 143 V CB 0.865 32.676 31.823 -0.020 0.000 0.990 143 V HN 0.665 nan 8.190 nan 0.000 0.444 144 L N 4.071 125.076 121.223 -0.363 0.000 2.296 144 L HA 0.545 4.885 4.340 0.001 0.000 0.286 144 L C -0.360 176.255 176.870 -0.426 0.000 1.023 144 L CA -0.540 54.062 54.840 -0.396 0.000 0.812 144 L CB 1.805 43.518 42.059 -0.578 0.000 1.223 144 L HN 0.534 nan 8.230 nan 0.000 0.421 145 D N 1.401 121.603 120.400 -0.330 0.000 2.396 145 D HA 0.074 4.714 4.640 0.001 0.000 0.225 145 D C 1.251 177.352 176.300 -0.331 0.000 1.121 145 D CA -0.368 53.478 54.000 -0.257 0.000 0.853 145 D CB 1.470 42.204 40.800 -0.110 0.000 1.043 145 D HN 0.628 nan 8.370 nan 0.000 0.500 146 T N 1.000 115.344 114.554 -0.350 0.000 3.077 146 T HA -0.079 4.271 4.350 0.001 0.000 0.269 146 T C 1.126 175.873 174.700 0.077 0.000 1.146 146 T CA 0.843 62.789 62.100 -0.257 0.000 1.091 146 T CB -0.036 68.769 68.868 -0.105 0.000 0.892 146 T HN 0.343 nan 8.240 nan 0.000 0.533 147 K N 0.925 121.348 120.400 0.037 0.000 2.358 147 K HA 0.185 4.505 4.320 0.001 0.000 0.200 147 K C 0.533 177.194 176.600 0.100 0.000 1.030 147 K CA -0.360 55.977 56.287 0.083 0.000 1.097 147 K CB 0.280 32.802 32.500 0.037 0.000 0.862 147 K HN 0.312 nan 8.250 nan 0.000 0.534 148 N N 2.211 120.982 118.700 0.118 0.000 2.470 148 N HA -0.046 4.695 4.740 0.001 0.000 0.268 148 N C 0.641 176.247 175.510 0.160 0.000 1.136 148 N CA 0.366 53.487 53.050 0.119 0.000 0.961 148 N CB 1.362 39.912 38.487 0.105 0.000 1.067 148 N HN 0.142 nan 8.380 nan 0.000 0.468 149 Q N 2.377 122.240 119.800 0.105 0.000 2.152 149 Q HA -0.206 4.134 4.340 0.001 0.000 0.206 149 Q C 1.626 177.676 176.000 0.084 0.000 0.985 149 Q CA 1.881 57.736 55.803 0.086 0.000 0.863 149 Q CB -0.001 28.771 28.738 0.057 0.000 0.904 149 Q HN 0.788 nan 8.270 nan 0.000 0.422 150 S N -0.378 115.378 115.700 0.094 0.000 2.368 150 S HA -0.181 4.290 4.470 0.001 0.000 0.225 150 S C 1.684 176.347 174.600 0.106 0.000 1.030 150 S CA 1.155 59.405 58.200 0.083 0.000 0.999 150 S CB -0.540 62.708 63.200 0.079 0.000 0.844 150 S HN 0.563 nan 8.310 nan 0.000 0.459 151 F N 1.821 121.794 119.950 0.039 0.000 2.186 151 F HA 0.128 4.655 4.527 0.000 0.000 0.299 151 F C 1.785 177.624 175.800 0.065 0.000 1.090 151 F CA 1.384 59.418 58.000 0.056 0.000 1.307 151 F CB -0.308 38.732 39.000 0.066 0.000 1.019 151 F HN 0.238 nan 8.300 nan 0.000 0.489 152 I N 0.028 120.584 120.570 -0.022 0.000 2.439 152 I HA -0.196 3.974 4.170 0.001 0.000 0.251 152 I C 2.164 178.194 176.117 -0.145 0.000 1.139 152 I CA 1.236 62.466 61.300 -0.117 0.000 1.438 152 I CB -0.441 37.600 38.000 0.069 0.000 1.085 152 I HN 0.176 nan 8.210 nan 0.000 0.427 153 E N 0.781 120.932 120.200 -0.080 0.000 2.046 153 E HA -0.204 4.146 4.350 0.001 0.000 0.190 153 E C 1.993 178.536 176.600 -0.095 0.000 0.982 153 E CA 1.002 57.364 56.400 -0.063 0.000 0.800 153 E CB -0.105 29.582 29.700 -0.022 0.000 0.756 153 E HN 0.379 nan 8.360 nan 0.000 0.449 154 N N 0.482 119.115 118.700 -0.113 0.000 2.104 154 N HA -0.200 4.540 4.740 0.001 0.000 0.190 154 N C 2.043 177.460 175.510 -0.155 0.000 1.024 154 N CA 0.845 53.833 53.050 -0.102 0.000 0.853 154 N CB -0.005 38.442 38.487 -0.066 0.000 1.008 154 N HN 0.079 nan 8.380 nan 0.000 0.424 155 L N 1.554 122.587 121.223 -0.318 0.000 2.046 155 L HA -0.120 4.220 4.340 0.001 0.000 0.208 155 L C 2.479 179.249 176.870 -0.166 0.000 1.077 155 L CA 1.989 56.644 54.840 -0.308 0.000 0.747 155 L CB -0.924 40.812 42.059 -0.539 0.000 0.896 155 L HN 0.263 nan 8.230 nan 0.000 0.432 156 S N -3.305 112.306 115.700 -0.148 0.000 2.547 156 S HA -0.133 4.338 4.470 0.001 0.000 0.235 156 S C 1.699 176.256 174.600 -0.071 0.000 0.980 156 S CA 1.358 59.499 58.200 -0.098 0.000 0.941 156 S CB -0.709 62.445 63.200 -0.077 0.000 0.763 156 S HN 0.516 nan 8.310 nan 0.000 0.532 157 T N 1.354 115.871 114.554 -0.062 0.000 3.014 157 T HA 0.203 4.553 4.350 0.001 0.000 0.250 157 T C 0.516 175.207 174.700 -0.014 0.000 1.060 157 T CA -0.065 62.015 62.100 -0.034 0.000 1.040 157 T CB 0.015 68.865 68.868 -0.029 0.000 0.971 157 T HN 0.421 nan 8.240 nan 0.000 0.497 158 Q N 1.819 121.609 119.800 -0.018 0.000 2.443 158 Q HA 0.210 4.550 4.340 0.001 0.000 0.232 158 Q C -0.226 175.768 176.000 -0.009 0.000 1.026 158 Q CA -0.017 55.791 55.803 0.008 0.000 0.924 158 Q CB 0.364 29.099 28.738 -0.006 0.000 1.256 158 Q HN 0.334 nan 8.270 nan 0.000 0.519 159 D N -0.180 120.223 120.400 0.006 0.000 2.399 159 D HA 0.005 4.645 4.640 0.001 0.000 0.241 159 D C 0.545 176.824 176.300 -0.036 0.000 1.133 159 D CA 0.398 54.392 54.000 -0.010 0.000 0.890 159 D CB 0.740 41.542 40.800 0.005 0.000 1.201 159 D HN 0.549 nan 8.370 nan 0.000 0.432 160 T N -1.279 113.249 114.554 -0.044 0.000 3.054 160 T HA 0.201 4.551 4.350 0.001 0.000 0.255 160 T C 0.459 175.124 174.700 -0.057 0.000 1.035 160 T CA -0.545 61.519 62.100 -0.061 0.000 0.941 160 T CB 0.130 68.953 68.868 -0.075 0.000 1.026 160 T HN 0.148 nan 8.240 nan 0.000 0.533 161 S N 2.468 118.141 115.700 -0.045 0.000 2.603 161 S HA 0.298 4.769 4.470 0.001 0.000 0.268 161 S C -0.159 174.415 174.600 -0.043 0.000 1.317 161 S CA -0.684 57.489 58.200 -0.045 0.000 1.012 161 S CB 0.339 63.517 63.200 -0.036 0.000 0.926 161 S HN 0.357 nan 8.310 nan 0.000 0.539 162 D N 1.696 122.068 120.400 -0.047 0.000 2.493 162 D HA 0.076 4.716 4.640 0.001 0.000 0.240 162 D C 0.271 176.553 176.300 -0.030 0.000 1.142 162 D CA 0.143 54.118 54.000 -0.041 0.000 0.872 162 D CB 0.194 40.964 40.800 -0.050 0.000 1.173 162 D HN 0.200 nan 8.370 nan 0.000 0.467 163 I N 2.613 123.176 120.570 -0.012 0.000 2.648 163 I HA -0.034 4.136 4.170 0.001 0.000 0.284 163 I C 0.836 176.936 176.117 -0.028 0.000 1.153 163 I CA -0.264 61.035 61.300 -0.000 0.000 1.426 163 I CB -0.128 37.903 38.000 0.053 0.000 1.381 163 I HN 0.173 nan 8.210 nan 0.000 0.571 164 L N 6.582 127.773 121.223 -0.053 0.000 2.530 164 L HA 0.052 4.393 4.340 0.001 0.000 0.273 164 L C 0.946 177.687 176.870 -0.214 0.000 1.141 164 L CA 0.172 54.950 54.840 -0.104 0.000 0.905 164 L CB -0.396 41.608 42.059 -0.092 0.000 1.202 164 L HN 0.558 nan 8.230 nan 0.000 0.473 165 N N 3.487 122.046 118.700 -0.234 0.000 3.228 165 N HA 0.050 4.790 4.740 0.001 0.000 0.289 165 N C -0.384 174.848 175.510 -0.464 0.000 1.419 165 N CA -0.120 52.719 53.050 -0.351 0.000 1.088 165 N CB 0.205 38.648 38.487 -0.073 0.000 1.357 165 N HN 0.463 nan 8.380 nan 0.000 0.504 166 N N 1.569 119.855 118.700 -0.690 0.000 3.040 166 N HA 0.162 4.902 4.740 0.001 0.000 0.305 166 N C -1.418 173.891 175.510 -0.335 0.000 1.611 166 N CA -0.219 52.596 53.050 -0.391 0.000 1.049 166 N CB -0.090 38.251 38.487 -0.244 0.000 1.342 166 N HN 0.238 nan 8.380 nan 0.000 0.497 167 Y N -0.145 120.160 120.300 0.008 0.000 2.403 167 Y HA 0.530 5.080 4.550 0.000 0.000 0.323 167 Y C -1.497 174.407 175.900 0.007 0.000 1.226 167 Y CA -2.384 55.722 58.100 0.010 0.000 1.235 167 Y CB -0.080 38.395 38.460 0.025 0.000 1.248 167 Y HN 0.202 nan 8.280 nan 0.000 0.489 168 P HA 0.037 nan 4.420 nan 0.000 0.268 168 P C 0.476 177.826 177.300 0.083 0.000 1.208 168 P CA -0.071 63.079 63.100 0.084 0.000 0.777 168 P CB 0.871 32.603 31.700 0.054 0.000 0.875 169 E N 1.689 121.917 120.200 0.047 0.000 2.153 169 E HA -0.156 4.194 4.350 0.001 0.000 0.194 169 E C 1.061 177.693 176.600 0.052 0.000 0.988 169 E CA 1.217 57.654 56.400 0.061 0.000 0.811 169 E CB -0.288 29.400 29.700 -0.019 0.000 0.746 169 E HN 0.546 nan 8.360 nan 0.000 0.466 170 N N 0.844 119.547 118.700 0.006 0.000 2.270 170 N HA -0.036 4.704 4.740 0.001 0.000 0.198 170 N C 0.499 176.000 175.510 -0.015 0.000 1.117 170 N CA -0.180 52.864 53.050 -0.011 0.000 0.845 170 N CB -0.305 38.159 38.487 -0.039 0.000 0.980 170 N HN -0.007 nan 8.380 nan 0.000 0.486 171 L N 2.045 123.272 121.223 0.006 0.000 2.490 171 L HA 0.081 4.421 4.340 0.001 0.000 0.274 171 L C -0.288 176.559 176.870 -0.037 0.000 1.201 171 L CA 0.214 55.047 54.840 -0.011 0.000 0.869 171 L CB 0.067 42.128 42.059 0.004 0.000 1.123 171 L HN 0.066 nan 8.230 nan 0.000 0.484 172 D N 3.647 124.011 120.400 -0.060 0.000 2.472 172 D HA 0.144 4.785 4.640 0.001 0.000 0.237 172 D C 0.414 176.680 176.300 -0.057 0.000 1.141 172 D CA 0.821 54.768 54.000 -0.088 0.000 0.875 172 D CB 1.431 42.179 40.800 -0.088 0.000 1.192 172 D HN 0.724 nan 8.370 nan 0.000 0.450 173 A N 2.403 125.181 122.820 -0.069 0.000 2.013 173 A HA 0.158 4.478 4.320 0.001 0.000 0.204 173 A C 0.051 177.750 177.584 0.192 0.000 1.262 173 A CA 0.561 52.620 52.037 0.038 0.000 0.800 173 A CB 0.069 19.093 19.000 0.040 0.000 0.909 173 A HN 0.627 nan 8.150 nan 0.000 0.472 174 Y N -3.379 116.942 120.300 0.033 0.000 2.655 174 Y HA 0.740 5.290 4.550 0.001 0.000 0.336 174 Y C -1.414 174.463 175.900 -0.038 0.000 1.154 174 Y CA -2.202 55.929 58.100 0.052 0.000 1.055 174 Y CB 1.047 39.586 38.460 0.132 0.000 1.295 174 Y HN 0.077 nan 8.280 nan 0.000 0.465 175 L N 3.006 124.320 121.223 0.150 0.000 2.404 175 L HA 0.682 5.023 4.340 0.001 0.000 0.272 175 L C -2.088 174.803 176.870 0.034 0.000 0.980 175 L CA -0.800 54.029 54.840 -0.019 0.000 0.836 175 L CB 1.599 43.625 42.059 -0.055 0.000 1.238 175 L HN 0.845 nan 8.230 nan 0.000 0.408 176 L N 5.096 126.330 121.223 0.019 0.000 2.349 176 L HA 0.545 4.885 4.340 0.001 0.000 0.278 176 L C -1.283 175.582 176.870 -0.008 0.000 0.996 176 L CA -0.333 54.564 54.840 0.095 0.000 0.825 176 L CB 1.344 43.543 42.059 0.233 0.000 1.243 176 L HN 0.553 nan 8.230 nan 0.000 0.412 177 Y N 3.103 123.447 120.300 0.074 0.000 2.335 177 Y HA 0.443 4.994 4.550 0.000 0.000 0.331 177 Y C 0.685 176.646 175.900 0.102 0.000 1.094 177 Y CA 0.400 58.552 58.100 0.086 0.000 1.253 177 Y CB 1.705 40.202 38.460 0.062 0.000 1.203 177 Y HN 0.482 nan 8.280 nan 0.000 0.508 178 T N 2.057 116.758 114.554 0.246 0.000 2.906 178 T HA 0.441 4.792 4.350 0.001 0.000 0.295 178 T C -0.795 174.010 174.700 0.177 0.000 1.075 178 T CA -0.948 61.276 62.100 0.208 0.000 1.005 178 T CB 0.576 69.564 68.868 0.200 0.000 1.136 178 T HN 0.651 nan 8.240 nan 0.000 0.498 179 S N 1.556 117.344 115.700 0.145 0.000 2.576 179 S HA 0.675 5.145 4.470 0.001 0.000 0.276 179 S C 0.521 175.162 174.600 0.069 0.000 1.339 179 S CA -0.446 57.815 58.200 0.101 0.000 1.039 179 S CB 1.018 64.267 63.200 0.083 0.000 0.902 179 S HN 1.032 nan 8.310 nan 0.000 0.516 184 T N 4.555 119.064 114.554 -0.074 0.000 2.743 184 T HA 0.530 4.881 4.350 0.001 0.000 0.293 184 T C -2.297 172.418 174.700 0.026 0.000 0.945 184 T CA -0.871 61.167 62.100 -0.104 0.000 1.030 184 T CB 2.027 70.847 68.868 -0.080 0.000 0.912 184 T HN 0.052 nan 8.240 nan 0.000 0.483 185 P HA 0.183 nan 4.420 nan 0.000 0.269 185 P C -0.659 176.850 177.300 0.349 0.000 1.209 185 P CA -0.469 62.768 63.100 0.229 0.000 0.776 185 P CB 0.479 32.350 31.700 0.285 0.000 0.876 186 K N 0.664 121.215 120.400 0.252 0.000 2.292 186 K HA 0.686 5.006 4.320 0.001 0.000 0.257 186 K C 0.052 176.664 176.600 0.020 0.000 0.940 186 K CA -0.990 55.381 56.287 0.140 0.000 0.811 186 K CB 1.571 33.996 32.500 -0.125 0.000 1.120 186 K HN 0.426 nan 8.250 nan 0.000 0.428 187 G N 1.850 110.495 108.800 -0.258 0.000 2.370 187 G HA2 0.378 4.338 3.960 0.001 0.000 0.272 187 G HA3 0.378 4.338 3.960 0.001 0.000 0.272 187 G C -0.603 174.176 174.900 -0.202 0.000 1.208 187 G CA -0.697 43.926 45.100 -0.794 0.000 0.856 187 G HN 0.385 nan 8.290 nan 0.000 0.500 188 V N 3.774 123.598 119.914 -0.151 0.000 2.370 188 V HA 0.333 4.453 4.120 0.001 0.000 0.279 188 V C 0.403 176.383 176.094 -0.191 0.000 1.029 188 V CA -0.746 61.520 62.300 -0.058 0.000 0.870 188 V CB 1.183 33.021 31.823 0.024 0.000 0.984 188 V HN 0.727 nan 8.190 nan 0.000 0.451 189 R N 3.667 124.016 120.500 -0.251 0.000 2.196 189 R HA 0.574 4.915 4.340 0.001 0.000 0.340 189 R C -0.985 175.109 176.300 -0.343 0.000 1.043 189 R CA -0.347 55.587 56.100 -0.275 0.000 0.883 189 R CB 1.314 31.469 30.300 -0.241 0.000 1.078 189 R HN 0.524 nan 8.270 nan 0.000 0.462 190 V N 2.798 122.421 119.914 -0.484 0.000 2.459 190 V HA 0.248 4.368 4.120 0.001 0.000 0.295 190 V C 0.409 176.237 176.094 -0.445 0.000 1.029 190 V CA -0.670 61.273 62.300 -0.595 0.000 0.874 190 V CB 1.696 32.760 31.823 -1.266 0.000 0.985 190 V HN 0.920 nan 8.190 nan 0.000 0.438 191 S N 5.059 120.610 115.700 -0.247 0.000 2.669 191 S HA 0.408 4.878 4.470 0.001 0.000 0.270 191 S C 1.027 175.584 174.600 -0.072 0.000 1.225 191 S CA -0.558 57.569 58.200 -0.123 0.000 0.991 191 S CB 1.157 64.334 63.200 -0.038 0.000 0.987 191 S HN 0.620 nan 8.310 nan 0.000 0.552 192 R N -0.248 120.248 120.500 -0.006 0.000 2.091 192 R HA -0.136 4.204 4.340 0.001 0.000 0.238 192 R C 2.274 178.612 176.300 0.062 0.000 1.136 192 R CA 2.033 58.154 56.100 0.035 0.000 0.959 192 R CB -0.906 29.440 30.300 0.077 0.000 0.856 192 R HN 0.885 nan 8.270 nan 0.000 0.437 193 H N 0.842 119.914 119.070 0.003 0.000 2.353 193 H HA -0.043 4.514 4.556 0.001 0.000 0.300 193 H C 1.536 176.885 175.328 0.035 0.000 1.090 193 H CA 2.104 58.164 56.048 0.020 0.000 1.327 193 H CB -0.134 29.638 29.762 0.016 0.000 1.383 193 H HN 0.261 nan 8.280 nan 0.000 0.508 194 N N -0.606 118.123 118.700 0.049 0.000 2.043 194 N HA -0.170 4.570 4.740 0.001 0.000 0.193 194 N C 1.737 177.267 175.510 0.033 0.000 1.037 194 N CA 1.163 54.225 53.050 0.020 0.000 0.851 194 N CB -0.117 38.357 38.487 -0.022 0.000 1.027 194 N HN 0.212 nan 8.380 nan 0.000 0.422 195 L N 0.984 122.209 121.223 0.004 0.000 2.093 195 L HA -0.064 4.276 4.340 0.001 0.000 0.208 195 L C 2.279 179.200 176.870 0.085 0.000 1.085 195 L CA 1.620 56.475 54.840 0.024 0.000 0.755 195 L CB -0.833 41.179 42.059 -0.079 0.000 0.904 195 L HN 0.184 nan 8.230 nan 0.000 0.435 196 S N -2.328 113.384 115.700 0.020 0.000 2.414 196 S HA -0.078 4.392 4.470 0.001 0.000 0.227 196 S C 1.942 176.565 174.600 0.039 0.000 1.022 196 S CA 0.933 59.164 58.200 0.052 0.000 0.958 196 S CB -0.576 62.636 63.200 0.020 0.000 0.797 196 S HN 0.455 nan 8.310 nan 0.000 0.493 197 S N 1.357 117.021 115.700 -0.061 0.000 2.402 197 S HA 0.043 4.514 4.470 0.001 0.000 0.229 197 S C 1.267 175.934 174.600 0.112 0.000 1.021 197 S CA 1.131 59.302 58.200 -0.048 0.000 0.974 197 S CB -0.659 62.450 63.200 -0.152 0.000 0.800 197 S HN 0.654 nan 8.310 nan 0.000 0.484 198 F N 2.804 122.797 119.950 0.073 0.000 2.069 198 F HA -0.185 4.342 4.527 0.000 0.000 0.298 198 F C 2.369 178.322 175.800 0.255 0.000 1.113 198 F CA 1.681 59.805 58.000 0.206 0.000 1.214 198 F CB -0.695 38.389 39.000 0.140 0.000 0.978 198 F HN 0.083 nan 8.300 nan 0.000 0.474 199 S N -0.360 115.455 115.700 0.192 0.000 2.399 199 S HA -0.233 4.238 4.470 0.001 0.000 0.231 199 S C 1.590 176.170 174.600 -0.033 0.000 1.022 199 S CA 1.546 59.784 58.200 0.064 0.000 0.983 199 S CB -0.577 62.770 63.200 0.245 0.000 0.803 199 S HN 0.617 nan 8.310 nan 0.000 0.480 200 D N 1.159 121.575 120.400 0.027 0.000 2.123 200 D HA 0.055 4.696 4.640 0.001 0.000 0.200 200 D C 1.987 178.259 176.300 -0.047 0.000 0.976 200 D CA 1.085 55.090 54.000 0.008 0.000 0.831 200 D CB -0.245 40.573 40.800 0.031 0.000 0.974 200 D HN 0.301 nan 8.370 nan 0.000 0.469 201 A N -0.518 122.264 122.820 -0.062 0.000 1.898 201 A HA -0.079 4.241 4.320 0.001 0.000 0.216 201 A C 1.918 179.342 177.584 -0.266 0.000 1.181 201 A CA 0.996 52.946 52.037 -0.145 0.000 0.620 201 A CB -1.144 17.776 19.000 -0.133 0.000 0.819 201 A HN 0.453 nan 8.150 nan 0.000 0.442 202 W N -0.201 120.928 121.300 -0.285 0.000 2.518 202 W HA 0.166 4.827 4.660 0.001 0.000 0.273 202 W C 2.432 178.882 176.519 -0.115 0.000 1.247 202 W CA 0.727 57.919 57.345 -0.255 0.000 1.288 202 W CB -0.418 28.725 29.460 -0.529 0.000 1.107 202 W HN 0.365 nan 8.180 nan 0.000 0.586 203 G N 0.783 109.565 108.800 -0.029 0.000 2.440 203 G HA2 -0.279 3.681 3.960 0.001 0.000 0.218 203 G HA3 -0.279 3.681 3.960 0.001 0.000 0.218 203 G C 1.471 176.408 174.900 0.061 0.000 1.154 203 G CA 1.137 46.131 45.100 -0.176 0.000 0.767 203 G HN 0.220 nan 8.290 nan 0.000 0.552 204 K N -0.417 119.982 120.400 -0.001 0.000 2.062 204 K HA 0.124 4.444 4.320 0.001 0.000 0.205 204 K C 2.428 179.037 176.600 0.016 0.000 1.051 204 K CA 0.829 57.125 56.287 0.014 0.000 0.941 204 K CB -0.254 32.226 32.500 -0.033 0.000 0.719 204 K HN 0.306 nan 8.250 nan 0.000 0.440 205 L N 1.191 122.375 121.223 -0.065 0.000 2.027 205 L HA -0.128 4.213 4.340 0.001 0.000 0.206 205 L C 2.082 178.971 176.870 0.031 0.000 1.074 205 L CA 1.370 56.150 54.840 -0.100 0.000 0.745 205 L CB -0.081 41.761 42.059 -0.363 0.000 0.898 205 L HN 0.124 nan 8.230 nan 0.000 0.433 206 I N -0.405 120.235 120.570 0.117 0.000 2.252 206 I HA -0.179 3.991 4.170 0.001 0.000 0.245 206 I C 2.495 178.647 176.117 0.058 0.000 1.102 206 I CA 1.167 62.500 61.300 0.056 0.000 1.385 206 I CB -0.941 37.060 38.000 0.001 0.000 1.064 206 I HN 0.417 nan 8.210 nan 0.000 0.414 207 G N 0.685 109.623 108.800 0.230 0.000 2.450 207 G HA2 -0.338 3.622 3.960 0.001 0.000 0.220 207 G HA3 -0.338 3.622 3.960 0.001 0.000 0.220 207 G C 1.349 176.307 174.900 0.096 0.000 1.130 207 G CA 1.332 46.544 45.100 0.187 0.000 0.760 207 G HN 0.425 nan 8.290 nan 0.000 0.557 208 N N 0.028 118.776 118.700 0.081 0.000 2.135 208 N HA -0.104 4.636 4.740 0.001 0.000 0.186 208 N C 2.276 177.817 175.510 0.052 0.000 1.027 208 N CA 2.093 55.175 53.050 0.053 0.000 0.849 208 N CB -0.130 38.376 38.487 0.032 0.000 1.002 208 N HN 0.226 nan 8.380 nan 0.000 0.425 209 V N -3.144 116.811 119.914 0.069 0.000 2.951 209 V HA 0.446 4.567 4.120 0.001 0.000 0.255 209 V C 0.656 176.803 176.094 0.088 0.000 1.088 209 V CA 0.891 63.244 62.300 0.089 0.000 1.109 209 V CB -0.466 31.442 31.823 0.141 0.000 0.724 209 V HN 0.327 nan 8.190 nan 0.000 0.471 210 A N 0.399 123.260 122.820 0.067 0.000 3.159 210 A HA 0.725 5.045 4.320 0.001 0.000 0.330 210 A C -1.607 175.971 177.584 -0.011 0.000 1.032 210 A CA -0.972 51.085 52.037 0.034 0.000 0.841 210 A CB 0.655 19.686 19.000 0.051 0.000 1.093 210 A HN 0.331 nan 8.150 nan 0.000 0.478 211 P HA -0.199 nan 4.420 nan 0.000 0.218 211 P C 1.568 178.866 177.300 -0.004 0.000 1.148 211 P CA 1.205 64.312 63.100 0.013 0.000 0.822 211 P CB 0.301 32.014 31.700 0.021 0.000 0.784 212 K N -0.084 120.304 120.400 -0.019 0.000 2.211 212 K HA -0.117 4.204 4.320 0.001 0.000 0.204 212 K C 1.945 178.520 176.600 -0.042 0.000 1.047 212 K CA 1.550 57.821 56.287 -0.027 0.000 0.935 212 K CB -0.880 31.599 32.500 -0.034 0.000 0.728 212 K HN -0.077 nan 8.250 nan 0.000 0.452 213 S N 0.771 116.427 115.700 -0.073 0.000 2.392 213 S HA -0.166 4.305 4.470 0.001 0.000 0.232 213 S C 1.541 176.064 174.600 -0.129 0.000 1.041 213 S CA 1.648 59.742 58.200 -0.177 0.000 1.026 213 S CB -0.376 62.527 63.200 -0.496 0.000 0.845 213 S HN 0.337 nan 8.310 nan 0.000 0.465 214 L N 0.794 122.013 121.223 -0.006 0.000 2.465 214 L HA 0.036 4.376 4.340 0.001 0.000 0.224 214 L C 2.156 179.047 176.870 0.035 0.000 1.145 214 L CA 0.846 55.741 54.840 0.092 0.000 0.834 214 L CB -0.378 41.754 42.059 0.122 0.000 0.944 214 L HN 0.277 nan 8.230 nan 0.000 0.451 215 E N -0.059 120.133 120.200 -0.012 0.000 2.472 215 E HA 0.078 4.429 4.350 0.001 0.000 0.196 215 E C 1.738 178.276 176.600 -0.102 0.000 1.033 215 E CA 0.183 56.561 56.400 -0.037 0.000 0.886 215 E CB 0.439 30.124 29.700 -0.026 0.000 0.944 215 E HN 0.508 nan 8.360 nan 0.000 0.492 216 L N 0.619 121.764 121.223 -0.131 0.000 2.607 216 L HA 0.176 4.516 4.340 0.001 0.000 0.228 216 L C 1.168 177.806 176.870 -0.387 0.000 1.123 216 L CA -0.460 54.263 54.840 -0.195 0.000 0.890 216 L CB 0.291 42.291 42.059 -0.099 0.000 1.103 216 L HN -0.035 nan 8.230 nan 0.000 0.468 217 G N -0.465 108.040 108.800 -0.493 0.000 2.265 217 G HA2 0.286 4.246 3.960 0.001 0.000 0.240 217 G HA3 0.286 4.246 3.960 0.001 0.000 0.240 217 G C 1.155 175.006 174.900 -1.749 0.000 1.270 217 G CA 0.429 44.899 45.100 -1.049 0.000 0.901 217 G HN 0.433 nan 8.290 nan 0.000 0.507 218 G N 0.466 107.953 108.800 -2.189 0.000 2.184 218 G HA2 -0.289 3.671 3.960 0.001 0.000 0.264 218 G HA3 -0.289 3.671 3.960 0.001 0.000 0.264 218 G C 0.898 175.315 174.900 -0.806 0.000 0.975 218 G CA 0.858 44.709 45.100 -2.082 0.000 0.642 218 G HN 1.300 nan 8.290 nan 0.000 0.536 219 V N -0.144 119.428 119.914 -0.570 0.000 3.159 219 V HA 0.478 4.599 4.120 0.001 0.000 0.234 219 V C 2.058 178.025 176.094 -0.212 0.000 1.313 219 V CA 1.154 63.269 62.300 -0.307 0.000 1.271 219 V CB -0.104 31.572 31.823 -0.245 0.000 1.053 219 V HN 0.777 nan 8.190 nan 0.000 0.476 220 G N 0.750 109.435 108.800 -0.192 0.000 2.651 220 G HA2 0.456 4.416 3.960 0.001 0.000 0.260 220 G HA3 0.456 4.416 3.960 0.001 0.000 0.260 220 G C -0.539 174.325 174.900 -0.061 0.000 1.216 220 G CA -0.125 44.923 45.100 -0.086 0.000 0.913 220 G HN 0.334 nan 8.290 nan 0.000 0.535 221 K N -0.745 119.659 120.400 0.007 0.000 2.523 221 K HA 0.281 4.601 4.320 0.001 0.000 0.257 221 K C -2.040 174.610 176.600 0.084 0.000 0.932 221 K CA -0.653 55.646 56.287 0.020 0.000 0.812 221 K CB 2.706 35.193 32.500 -0.022 0.000 1.326 221 K HN 0.315 nan 8.250 nan 0.000 0.433 222 F N 2.904 122.830 119.950 -0.040 0.000 2.388 222 F HA 0.303 4.830 4.527 0.000 0.000 0.358 222 F C -0.422 175.347 175.800 -0.050 0.000 1.122 222 F CA -1.320 56.675 58.000 -0.009 0.000 1.056 222 F CB 0.826 39.785 39.000 -0.069 0.000 1.155 222 F HN 0.384 nan 8.300 nan 0.000 0.461 223 L N 6.583 127.915 121.223 0.181 0.000 2.410 223 L HA 0.243 4.584 4.340 0.001 0.000 0.273 223 L C -0.766 176.222 176.870 0.198 0.000 1.144 223 L CA 0.076 54.956 54.840 0.067 0.000 0.863 223 L CB 0.043 41.988 42.059 -0.190 0.000 1.140 223 L HN 0.692 nan 8.230 nan 0.000 0.463 224 C N 6.822 126.196 119.300 0.122 0.000 2.135 224 C HA 0.237 4.697 4.460 0.001 0.000 0.345 224 C C 1.230 176.262 174.990 0.070 0.000 1.067 224 C CA -0.604 58.479 59.018 0.109 0.000 1.517 224 C CB -0.633 27.186 27.740 0.131 0.000 1.923 224 C HN 0.888 nan 8.230 nan 0.000 0.466 225 L N 3.271 124.538 121.223 0.072 0.000 2.470 225 L HA 0.433 4.773 4.340 0.001 0.000 0.219 225 L C 1.606 178.509 176.870 0.055 0.000 1.071 225 L CA 0.834 55.698 54.840 0.040 0.000 0.850 225 L CB -0.533 41.546 42.059 0.033 0.000 1.040 225 L HN 0.581 nan 8.230 nan 0.000 0.475 226 A N 0.104 122.979 122.820 0.091 0.000 2.498 226 A HA 0.309 4.630 4.320 0.001 0.000 0.239 226 A C 0.630 178.271 177.584 0.096 0.000 1.068 226 A CA 0.591 52.709 52.037 0.136 0.000 0.766 226 A CB -0.246 18.862 19.000 0.181 0.000 1.003 226 A HN 0.371 nan 8.150 nan 0.000 0.497 227 S N 0.934 116.707 115.700 0.121 0.000 2.558 227 S HA 0.020 4.490 4.470 0.001 0.000 0.287 227 S C 1.261 175.736 174.600 -0.208 0.000 1.321 227 S CA -0.013 58.159 58.200 -0.047 0.000 1.048 227 S CB 0.145 63.298 63.200 -0.078 0.000 0.844 227 S HN 0.633 nan 8.310 nan 0.000 0.512 228 R N 2.921 123.176 120.500 -0.409 0.000 2.339 228 R HA 0.037 4.377 4.340 0.001 0.000 0.199 228 R C 2.092 178.090 176.300 -0.504 0.000 1.018 228 R CA 0.855 56.480 56.100 -0.792 0.000 1.036 228 R CB -0.417 29.462 30.300 -0.702 0.000 0.899 228 R HN 0.698 nan 8.270 nan 0.000 0.473 229 A N 0.350 122.861 122.820 -0.516 0.000 2.119 229 A HA 0.001 4.321 4.320 0.001 0.000 0.217 229 A C 0.122 177.333 177.584 -0.621 0.000 1.153 229 A CA 0.810 52.469 52.037 -0.629 0.000 0.692 229 A CB 0.046 18.487 19.000 -0.933 0.000 0.799 229 A HN 0.081 nan 8.150 nan 0.000 0.458 230 F N -0.541 119.443 119.950 0.056 0.000 2.538 230 F HA 0.358 4.885 4.527 0.000 0.000 0.325 230 F C 0.995 176.876 175.800 0.134 0.000 1.066 230 F CA -1.529 56.517 58.000 0.078 0.000 0.946 230 F CB 1.063 40.086 39.000 0.037 0.000 1.199 230 F HN 0.147 nan 8.300 nan 0.000 0.473 231 D N -0.265 120.268 120.400 0.221 0.000 2.310 231 D HA -0.101 4.539 4.640 0.001 0.000 0.212 231 D C 1.682 177.909 176.300 -0.122 0.000 0.965 231 D CA 0.845 54.824 54.000 -0.035 0.000 0.879 231 D CB -0.729 40.059 40.800 -0.020 0.000 0.921 231 D HN 0.251 nan 8.370 nan 0.000 0.510 232 V N 2.062 121.993 119.914 0.029 0.000 2.469 232 V HA -0.309 3.812 4.120 0.001 0.000 0.251 232 V C 2.601 178.684 176.094 -0.019 0.000 1.064 232 V CA 2.088 64.379 62.300 -0.016 0.000 1.066 232 V CB -1.122 30.733 31.823 0.054 0.000 0.667 232 V HN 0.542 nan 8.190 nan 0.000 0.461 233 H N -0.360 118.694 119.070 -0.027 0.000 2.421 233 H HA -0.100 4.456 4.556 0.000 0.000 0.298 233 H C 2.162 177.435 175.328 -0.092 0.000 1.087 233 H CA 2.030 58.050 56.048 -0.046 0.000 1.330 233 H CB -0.316 29.430 29.762 -0.027 0.000 1.388 233 H HN 0.432 nan 8.280 nan 0.000 0.526 234 I N 1.332 121.492 120.570 -0.684 0.000 2.286 234 I HA -0.095 4.076 4.170 0.001 0.000 0.245 234 I C 3.054 179.036 176.117 -0.225 0.000 1.104 234 I CA 1.080 62.087 61.300 -0.490 0.000 1.397 234 I CB -0.474 37.123 38.000 -0.672 0.000 1.072 234 I HN 0.363 nan 8.210 nan 0.000 0.417 235 G N 0.423 109.008 108.800 -0.357 0.000 2.440 235 G HA2 -0.178 3.782 3.960 0.001 0.000 0.218 235 G HA3 -0.178 3.782 3.960 0.001 0.000 0.218 235 G C 0.815 175.576 174.900 -0.231 0.000 1.154 235 G CA 0.398 45.323 45.100 -0.291 0.000 0.767 235 G HN 0.381 nan 8.290 nan 0.000 0.552 239 L N 0.245 121.416 121.223 -0.087 0.000 2.093 239 L HA -0.075 4.265 4.340 0.001 0.000 0.208 239 L C 2.638 179.466 176.870 -0.070 0.000 1.085 239 L CA 1.428 56.207 54.840 -0.102 0.000 0.755 239 L CB -0.791 41.149 42.059 -0.199 0.000 0.904 239 L HN 0.242 nan 8.230 nan 0.000 0.435 240 A N 0.148 122.748 122.820 -0.367 0.000 1.873 240 A HA -0.237 4.083 4.320 0.001 0.000 0.218 240 A C 1.966 179.623 177.584 0.122 0.000 1.193 240 A CA 1.762 53.717 52.037 -0.136 0.000 0.629 240 A CB -0.877 17.880 19.000 -0.405 0.000 0.826 240 A HN 0.513 nan 8.150 nan 0.000 0.447 241 W N -0.399 121.000 121.300 0.164 0.000 2.402 241 W HA -0.035 4.626 4.660 0.000 0.000 0.286 241 W C 2.320 179.101 176.519 0.437 0.000 1.221 241 W CA 1.099 58.681 57.345 0.394 0.000 1.257 241 W CB -0.856 28.798 29.460 0.323 0.000 1.120 241 W HN 0.452 nan 8.180 nan 0.000 0.551 242 R N 0.423 121.116 120.500 0.321 0.000 2.103 242 R HA -0.190 4.150 4.340 0.001 0.000 0.242 242 R C 1.640 177.850 176.300 -0.151 0.000 1.142 242 R CA 1.633 57.598 56.100 -0.225 0.000 0.960 242 R CB -1.217 28.767 30.300 -0.527 0.000 0.858 242 R HN 0.066 nan 8.270 nan 0.000 0.439 243 F N -0.873 119.150 119.950 0.122 0.000 2.727 243 F HA 0.351 4.879 4.527 0.000 0.000 0.302 243 F C 1.444 177.109 175.800 -0.225 0.000 1.097 243 F CA 0.484 58.473 58.000 -0.018 0.000 1.330 243 F CB 0.710 39.632 39.000 -0.129 0.000 1.084 243 F HN 0.319 nan 8.300 nan 0.000 0.578 244 G N 0.933 109.693 108.800 -0.066 0.000 2.143 244 G HA2 -0.275 3.685 3.960 0.001 0.000 0.248 244 G HA3 -0.275 3.685 3.960 0.001 0.000 0.248 244 G C 0.285 175.115 174.900 -0.117 0.000 0.991 244 G CA 0.145 44.934 45.100 -0.518 0.000 0.689 244 G HN 0.280 nan 8.290 nan 0.000 0.522 245 L N -1.034 120.248 121.223 0.097 0.000 2.488 245 L HA 0.607 4.947 4.340 0.001 0.000 0.249 245 L C 1.299 178.260 176.870 0.151 0.000 1.151 245 L CA -0.896 53.964 54.840 0.033 0.000 0.806 245 L CB 0.890 42.958 42.059 0.015 0.000 1.261 245 L HN 0.255 nan 8.230 nan 0.000 0.484 246 C N 1.484 120.807 119.300 0.037 0.000 2.285 246 C HA 0.657 5.117 4.460 0.001 0.000 0.335 246 C C 0.713 175.671 174.990 -0.053 0.000 1.267 246 C CA -1.001 58.018 59.018 0.002 0.000 1.762 246 C CB -0.271 27.450 27.740 -0.032 0.000 2.365 246 C HN 0.752 nan 8.230 nan 0.000 0.527 247 A N 5.715 128.436 122.820 -0.166 0.000 2.438 247 A HA 0.484 4.804 4.320 0.001 0.000 0.280 247 A C -0.080 177.390 177.584 -0.190 0.000 1.160 247 A CA 0.096 51.966 52.037 -0.277 0.000 0.821 247 A CB 0.120 18.731 19.000 -0.648 0.000 1.101 247 A HN 1.304 nan 8.150 nan 0.000 0.515 248 V N 3.384 123.275 119.914 -0.038 0.000 2.555 248 V HA 0.863 4.983 4.120 0.001 0.000 0.302 248 V C 0.007 176.147 176.094 0.078 0.000 1.038 248 V CA 0.409 62.711 62.300 0.003 0.000 0.887 248 V CB 2.037 33.850 31.823 -0.017 0.000 0.991 248 V HN 1.141 nan 8.190 nan 0.000 0.434 249 T N 3.354 117.979 114.554 0.118 0.000 2.762 249 T HA 0.874 5.224 4.350 0.001 0.000 0.301 249 T C -0.492 174.275 174.700 0.112 0.000 1.299 249 T CA 0.108 62.282 62.100 0.123 0.000 1.005 249 T CB 1.652 70.627 68.868 0.179 0.000 1.377 249 T HN 1.448 nan 8.240 nan 0.000 0.504 250 G N 0.332 109.179 108.800 0.078 0.000 2.550 250 G HA2 0.494 4.454 3.960 0.001 0.000 0.293 250 G HA3 0.494 4.454 3.960 0.001 0.000 0.293 250 G C -1.322 173.569 174.900 -0.015 0.000 1.402 250 G CA -0.672 44.481 45.100 0.088 0.000 0.784 250 G HN 0.845 nan 8.290 nan 0.000 0.482 251 E N -0.045 120.128 120.200 -0.045 0.000 2.608 251 E HA 0.021 4.372 4.350 0.001 0.000 0.259 251 E C 1.438 177.945 176.600 -0.155 0.000 0.951 251 E CA 0.061 56.400 56.400 -0.102 0.000 0.945 251 E CB 0.490 30.129 29.700 -0.101 0.000 0.916 251 E HN 0.463 nan 8.360 nan 0.000 0.477 252 R N 3.512 123.942 120.500 -0.118 0.000 2.081 252 R HA -0.154 4.186 4.340 0.001 0.000 0.235 252 R C 2.188 178.404 176.300 -0.141 0.000 1.131 252 R CA 1.315 57.349 56.100 -0.110 0.000 0.960 252 R CB -0.245 30.011 30.300 -0.073 0.000 0.856 252 R HN 0.656 nan 8.270 nan 0.000 0.436 253 L N 0.609 121.751 121.223 -0.136 0.000 2.079 253 L HA -0.128 4.212 4.340 0.001 0.000 0.210 253 L C 1.262 178.003 176.870 -0.216 0.000 1.081 253 L CA 0.741 55.501 54.840 -0.134 0.000 0.752 253 L CB -0.338 41.659 42.059 -0.103 0.000 0.896 253 L HN 0.104 nan 8.230 nan 0.000 0.433 257 D N 1.401 121.756 120.400 -0.075 0.000 2.104 257 D HA -0.165 4.476 4.640 0.001 0.000 0.194 257 D C 0.546 176.855 176.300 0.015 0.000 0.994 257 D CA 1.648 55.625 54.000 -0.038 0.000 0.830 257 D CB 0.363 41.127 40.800 -0.059 0.000 0.959 257 D HN 0.178 nan 8.370 nan 0.000 0.452 258 D N -0.303 120.125 120.400 0.048 0.000 2.378 258 D HA 0.030 4.670 4.640 0.001 0.000 0.265 258 D C 0.988 177.365 176.300 0.128 0.000 1.229 258 D CA -0.477 53.576 54.000 0.088 0.000 0.914 258 D CB 0.526 41.392 40.800 0.110 0.000 1.140 258 D HN -0.025 nan 8.370 nan 0.000 0.516 259 L N 5.097 126.397 121.223 0.128 0.000 2.042 259 L HA 0.056 4.396 4.340 0.001 0.000 0.210 259 L C -1.003 176.043 176.870 0.292 0.000 1.076 259 L CA 2.013 56.977 54.840 0.207 0.000 0.749 259 L CB -0.981 41.190 42.059 0.186 0.000 0.893 259 L HN 0.291 nan 8.230 nan 0.000 0.432 260 P HA -0.211 nan 4.420 nan 0.000 0.216 260 P C 1.611 179.033 177.300 0.203 0.000 1.153 260 P CA 1.506 64.715 63.100 0.183 0.000 0.858 260 P CB -0.165 31.593 31.700 0.098 0.000 0.789 261 R N -0.679 119.922 120.500 0.169 0.000 2.105 261 R HA -0.117 4.224 4.340 0.001 0.000 0.239 261 R C 1.853 178.262 176.300 0.181 0.000 1.135 261 R CA 2.026 58.219 56.100 0.154 0.000 0.967 261 R CB -0.908 29.481 30.300 0.149 0.000 0.861 261 R HN 0.132 nan 8.270 nan 0.000 0.442 262 T N 0.536 115.226 114.554 0.227 0.000 2.652 262 T HA -0.149 4.202 4.350 0.001 0.000 0.267 262 T C 1.480 176.239 174.700 0.099 0.000 1.039 262 T CA 1.783 63.993 62.100 0.183 0.000 1.153 262 T CB -0.359 68.596 68.868 0.144 0.000 0.863 262 T HN 0.178 nan 8.240 nan 0.000 0.428 263 F N 1.064 121.070 119.950 0.094 0.000 2.102 263 F HA 0.006 4.534 4.527 0.000 0.000 0.298 263 F C 2.696 178.558 175.800 0.102 0.000 1.105 263 F CA 1.214 59.266 58.000 0.086 0.000 1.239 263 F CB -0.253 38.796 39.000 0.081 0.000 0.991 263 F HN -0.035 nan 8.300 nan 0.000 0.474 264 R N 0.510 121.182 120.500 0.286 0.000 2.070 264 R HA -0.156 4.184 4.340 0.001 0.000 0.232 264 R C 2.004 178.403 176.300 0.164 0.000 1.138 264 R CA 1.831 58.050 56.100 0.198 0.000 0.936 264 R CB -0.224 30.156 30.300 0.133 0.000 0.839 264 R HN 0.133 nan 8.270 nan 0.000 0.429 265 E N 0.348 120.608 120.200 0.101 0.000 2.358 265 E HA -0.067 4.283 4.350 0.001 0.000 0.195 265 E C 1.726 178.326 176.600 0.000 0.000 1.010 265 E CA 0.567 56.989 56.400 0.037 0.000 0.856 265 E CB 0.243 29.935 29.700 -0.014 0.000 0.795 265 E HN 0.453 nan 8.360 nan 0.000 0.504 266 L N -0.231 120.997 121.223 0.008 0.000 2.607 266 L HA 0.201 4.541 4.340 0.001 0.000 0.228 266 L C 0.938 177.775 176.870 -0.055 0.000 1.123 266 L CA 0.211 55.029 54.840 -0.037 0.000 0.890 266 L CB -0.037 41.999 42.059 -0.038 0.000 1.103 266 L HN 0.119 nan 8.230 nan 0.000 0.468 267 G N 1.280 110.057 108.800 -0.039 0.000 2.273 267 G HA2 -0.245 3.715 3.960 0.001 0.000 0.280 267 G HA3 -0.245 3.715 3.960 0.001 0.000 0.280 267 G C 0.119 174.978 174.900 -0.068 0.000 1.047 267 G CA 0.036 45.026 45.100 -0.183 0.000 0.869 267 G HN 0.121 nan 8.290 nan 0.000 0.502 268 V N 0.761 120.709 119.914 0.057 0.000 2.521 268 V HA 0.412 4.532 4.120 0.001 0.000 0.286 268 V C 1.708 177.866 176.094 0.106 0.000 1.034 268 V CA 1.056 63.377 62.300 0.036 0.000 1.045 268 V CB 1.133 32.920 31.823 -0.060 0.000 0.974 268 V HN 0.786 nan 8.190 nan 0.000 0.480 269 T N 0.728 115.318 114.554 0.060 0.000 2.990 269 T HA 0.216 4.566 4.350 0.001 0.000 0.249 269 T C 0.371 174.947 174.700 -0.205 0.000 1.039 269 T CA 0.170 62.277 62.100 0.011 0.000 1.036 269 T CB 0.075 68.987 68.868 0.073 0.000 0.994 269 T HN 0.650 nan 8.240 nan 0.000 0.489 270 H N 0.566 119.494 119.070 -0.237 0.000 2.717 270 H HA 0.863 5.419 4.556 0.000 0.000 0.366 270 H C -0.490 174.413 175.328 -0.708 0.000 1.132 270 H CA -0.282 55.468 56.048 -0.497 0.000 1.180 270 H CB 2.039 31.221 29.762 -0.968 0.000 1.678 270 H HN 0.495 nan 8.280 nan 0.000 0.537 271 A N 1.265 123.865 122.820 -0.365 0.000 2.599 271 A HA 0.788 5.108 4.320 0.001 0.000 0.290 271 A C -0.893 176.703 177.584 0.020 0.000 1.101 271 A CA -0.265 51.681 52.037 -0.152 0.000 0.674 271 A CB 1.431 20.484 19.000 0.087 0.000 1.277 271 A HN 0.884 nan 8.150 nan 0.000 0.419 272 G N -0.540 108.358 108.800 0.162 0.000 2.591 272 G HA2 0.699 4.659 3.960 0.001 0.000 0.306 272 G HA3 0.699 4.659 3.960 0.001 0.000 0.306 272 G C -1.348 173.582 174.900 0.051 0.000 1.334 272 G CA -0.398 44.766 45.100 0.106 0.000 0.981 272 G HN 1.300 nan 8.290 nan 0.000 0.491 273 I N 1.074 121.627 120.570 -0.027 0.000 2.908 273 I HA 0.499 4.669 4.170 0.001 0.000 0.300 273 I C -0.417 175.650 176.117 -0.083 0.000 1.385 273 I CA -1.187 60.088 61.300 -0.041 0.000 1.004 273 I CB 2.391 40.353 38.000 -0.064 0.000 1.309 273 I HN 0.594 nan 8.210 nan 0.000 0.449 274 V N 4.390 124.257 119.914 -0.078 0.000 2.686 274 V HA 0.485 4.606 4.120 0.001 0.000 0.295 274 V C -2.076 173.953 176.094 -0.108 0.000 1.055 274 V CA -0.705 61.537 62.300 -0.097 0.000 1.050 274 V CB 0.668 32.432 31.823 -0.099 0.000 0.984 274 V HN 0.714 nan 8.190 nan 0.000 0.482 275 P HA -0.058 nan 4.420 nan 0.000 0.223 275 P C 1.754 178.994 177.300 -0.101 0.000 1.151 275 P CA 1.696 64.715 63.100 -0.136 0.000 0.787 275 P CB 0.041 31.674 31.700 -0.112 0.000 0.788 276 S N -0.502 115.154 115.700 -0.073 0.000 2.447 276 S HA -0.111 4.359 4.470 0.001 0.000 0.233 276 S C 1.869 176.443 174.600 -0.044 0.000 1.006 276 S CA 0.620 58.790 58.200 -0.050 0.000 0.957 276 S CB -1.475 61.700 63.200 -0.042 0.000 0.773 276 S HN -0.018 nan 8.310 nan 0.000 0.507 277 L N 1.191 122.383 121.223 -0.053 0.000 2.201 277 L HA 0.229 4.569 4.340 0.001 0.000 0.212 277 L C 2.110 178.955 176.870 -0.041 0.000 1.105 277 L CA 1.215 56.033 54.840 -0.036 0.000 0.775 277 L CB -0.661 41.381 42.059 -0.029 0.000 0.913 277 L HN 0.348 nan 8.230 nan 0.000 0.440 278 L N -1.262 119.910 121.223 -0.085 0.000 2.027 278 L HA -0.170 4.170 4.340 0.001 0.000 0.206 278 L C 2.243 179.116 176.870 0.006 0.000 1.074 278 L CA 1.134 55.926 54.840 -0.081 0.000 0.745 278 L CB -0.809 41.120 42.059 -0.217 0.000 0.898 278 L HN 0.214 nan 8.230 nan 0.000 0.433 279 D N -0.142 120.255 120.400 -0.005 0.000 2.092 279 D HA -0.269 4.372 4.640 0.001 0.000 0.193 279 D C 2.102 178.408 176.300 0.010 0.000 0.994 279 D CA 1.467 55.474 54.000 0.012 0.000 0.828 279 D CB -0.132 40.664 40.800 -0.005 0.000 0.963 279 D HN 0.370 nan 8.370 nan 0.000 0.450 280 Q N 0.071 119.872 119.800 0.001 0.000 2.050 280 Q HA -0.132 4.208 4.340 0.001 0.000 0.202 280 Q C 1.899 177.906 176.000 0.012 0.000 0.980 280 Q CA 2.138 57.943 55.803 0.003 0.000 0.840 280 Q CB 0.007 28.745 28.738 -0.001 0.000 0.898 280 Q HN 0.372 nan 8.270 nan 0.000 0.424 281 T N -3.986 110.579 114.554 0.018 0.000 3.088 281 T HA 0.192 4.543 4.350 0.001 0.000 0.259 281 T C 1.250 175.971 174.700 0.035 0.000 1.122 281 T CA 0.617 62.734 62.100 0.029 0.000 1.095 281 T CB 0.131 69.022 68.868 0.039 0.000 0.930 281 T HN 0.548 nan 8.240 nan 0.000 0.508 282 G N 1.087 109.912 108.800 0.040 0.000 2.160 282 G HA2 -0.221 3.739 3.960 0.001 0.000 0.251 282 G HA3 -0.221 3.739 3.960 0.001 0.000 0.251 282 G C -0.093 174.848 174.900 0.068 0.000 1.008 282 G CA 0.153 45.280 45.100 0.045 0.000 0.724 282 G HN 0.723 nan 8.290 nan 0.000 0.514 283 L N 0.629 121.916 121.223 0.107 0.000 2.514 283 L HA 0.516 4.856 4.340 0.001 0.000 0.280 283 L C 0.814 177.838 176.870 0.257 0.000 1.223 283 L CA 0.560 55.492 54.840 0.155 0.000 0.864 283 L CB 1.155 43.286 42.059 0.120 0.000 1.118 283 L HN 0.809 nan 8.230 nan 0.000 0.494 284 V N 2.111 122.047 119.914 0.038 0.000 3.102 284 V HA 0.569 4.690 4.120 0.001 0.000 0.312 284 V C -2.281 173.446 176.094 -0.613 0.000 1.135 284 V CA -1.531 60.532 62.300 -0.396 0.000 1.022 284 V CB 1.294 32.926 31.823 -0.318 0.000 1.056 284 V HN 0.588 nan 8.190 nan 0.000 0.436 285 P HA -0.108 nan 4.420 nan 0.000 0.218 285 P C 1.044 178.159 177.300 -0.308 0.000 1.146 285 P CA 1.494 64.168 63.100 -0.710 0.000 0.813 285 P CB 0.210 31.519 31.700 -0.652 0.000 0.778 286 E N -0.916 119.122 120.200 -0.271 0.000 2.347 286 E HA -0.116 4.235 4.350 0.001 0.000 0.196 286 E C 1.454 177.989 176.600 -0.109 0.000 1.008 286 E CA 0.705 57.004 56.400 -0.167 0.000 0.852 286 E CB -0.860 28.751 29.700 -0.148 0.000 0.783 286 E HN 0.315 nan 8.360 nan 0.000 0.505 287 D N 0.087 120.432 120.400 -0.092 0.000 2.310 287 D HA -0.041 4.599 4.640 0.001 0.000 0.212 287 D C 0.216 176.526 176.300 0.016 0.000 0.965 287 D CA 0.857 54.842 54.000 -0.025 0.000 0.879 287 D CB 0.206 41.002 40.800 -0.007 0.000 0.921 287 D HN 0.123 nan 8.370 nan 0.000 0.510 288 A N 1.046 123.859 122.820 -0.012 0.000 3.204 288 A HA 0.368 4.688 4.320 0.001 0.000 0.327 288 A C -1.794 175.788 177.584 -0.003 0.000 0.998 288 A CA -0.975 51.105 52.037 0.071 0.000 0.891 288 A CB 0.839 19.858 19.000 0.030 0.000 1.061 288 A HN -0.146 nan 8.150 nan 0.000 0.478 289 P HA -0.131 nan 4.420 nan 0.000 0.222 289 P C 0.543 177.635 177.300 -0.347 0.000 1.147 289 P CA 1.518 64.450 63.100 -0.280 0.000 0.790 289 P CB -0.038 31.404 31.700 -0.430 0.000 0.780 290 H N -2.248 116.839 119.070 0.028 0.000 2.551 290 H HA 0.198 4.755 4.556 0.000 0.000 0.271 290 H C 0.668 175.990 175.328 -0.009 0.000 0.984 290 H CA -0.635 55.416 56.048 0.005 0.000 1.164 290 H CB -0.326 29.440 29.762 0.006 0.000 1.437 290 H HN 0.028 nan 8.280 nan 0.000 0.550 291 L N 2.076 123.351 121.223 0.088 0.000 2.499 291 L HA 0.001 4.341 4.340 0.001 0.000 0.273 291 L C 1.093 177.939 176.870 -0.041 0.000 1.195 291 L CA 0.202 55.069 54.840 0.045 0.000 0.882 291 L CB 0.708 42.833 42.059 0.110 0.000 1.133 291 L HN 0.242 nan 8.230 nan 0.000 0.483 292 V N 2.675 122.495 119.914 -0.156 0.000 3.548 292 V HA 0.353 4.473 4.120 0.001 0.000 0.279 292 V C -0.330 175.692 176.094 -0.119 0.000 1.446 292 V CA -0.217 61.992 62.300 -0.152 0.000 1.023 292 V CB -0.486 31.223 31.823 -0.190 0.000 0.820 292 V HN 0.747 nan 8.190 nan 0.000 0.438 293 Y N 0.752 120.847 120.300 -0.342 0.000 2.441 293 Y HA 0.739 5.289 4.550 0.000 0.000 0.334 293 Y C -1.754 174.050 175.900 -0.159 0.000 1.061 293 Y CA -1.559 56.400 58.100 -0.235 0.000 1.032 293 Y CB 2.211 40.497 38.460 -0.290 0.000 1.266 293 Y HN 0.141 nan 8.280 nan 0.000 0.441 294 L N 6.348 127.031 121.223 -0.901 0.000 2.457 294 L HA 0.789 5.129 4.340 0.001 0.000 0.266 294 L C -0.546 175.872 176.870 -0.754 0.000 0.979 294 L CA -0.191 54.242 54.840 -0.679 0.000 0.857 294 L CB 1.406 43.198 42.059 -0.444 0.000 1.213 294 L HN 0.831 nan 8.230 nan 0.000 0.418 295 G N 3.963 112.389 108.800 -0.624 0.000 2.390 295 G HA2 0.559 4.519 3.960 0.001 0.000 0.270 295 G HA3 0.559 4.519 3.960 0.001 0.000 0.270 295 G C -0.680 174.140 174.900 -0.133 0.000 1.211 295 G CA 0.028 44.999 45.100 -0.214 0.000 0.842 295 G HN 0.916 nan 8.290 nan 0.000 0.519 296 V N 0.267 120.130 119.914 -0.083 0.000 3.001 296 V HA 1.078 5.198 4.120 0.001 0.000 0.314 296 V C 0.302 176.379 176.094 -0.028 0.000 1.099 296 V CA -0.181 62.066 62.300 -0.088 0.000 0.989 296 V CB 1.511 33.252 31.823 -0.137 0.000 1.040 296 V HN 1.584 nan 8.190 nan 0.000 0.434 297 G N -0.537 108.234 108.800 -0.048 0.000 2.441 297 G HA2 0.666 4.627 3.960 0.001 0.000 0.294 297 G HA3 0.666 4.627 3.960 0.001 0.000 0.294 297 G C 0.277 175.125 174.900 -0.086 0.000 1.393 297 G CA 0.051 45.129 45.100 -0.038 0.000 0.796 297 G HN 2.154 nan 8.290 nan 0.000 0.494 298 G N -0.991 107.745 108.800 -0.106 0.000 2.234 298 G HA2 0.110 4.071 3.960 0.001 0.000 0.235 298 G HA3 0.110 4.071 3.960 0.001 0.000 0.235 298 G C 0.253 175.068 174.900 -0.142 0.000 0.997 298 G CA 1.521 46.533 45.100 -0.146 0.000 0.623 298 G HN 1.941 nan 8.290 nan 0.000 0.514 299 E N -0.830 119.296 120.200 -0.123 0.000 2.409 299 E HA 0.525 4.875 4.350 0.001 0.000 0.280 299 E C -0.581 175.966 176.600 -0.088 0.000 1.079 299 E CA -0.998 55.336 56.400 -0.110 0.000 0.840 299 E CB 0.851 30.502 29.700 -0.082 0.000 1.309 299 E HN 0.180 nan 8.360 nan 0.000 0.447 303 P HA -0.063 nan 4.420 nan 0.000 0.216 303 P C 1.591 178.898 177.300 0.010 0.000 1.153 303 P CA 1.012 64.113 63.100 0.002 0.000 0.858 303 P CB 0.116 31.811 31.700 -0.007 0.000 0.789 304 R N -1.002 119.503 120.500 0.009 0.000 2.090 304 R HA -0.068 4.272 4.340 0.001 0.000 0.228 304 R C 1.977 178.306 176.300 0.049 0.000 1.110 304 R CA 1.661 57.771 56.100 0.016 0.000 0.973 304 R CB -0.755 29.550 30.300 0.007 0.000 0.869 304 R HN 0.101 nan 8.270 nan 0.000 0.440 305 T N 0.937 115.532 114.554 0.067 0.000 2.652 305 T HA -0.243 4.108 4.350 0.001 0.000 0.267 305 T C 1.676 176.477 174.700 0.168 0.000 1.039 305 T CA 1.609 63.794 62.100 0.141 0.000 1.153 305 T CB -0.212 68.698 68.868 0.071 0.000 0.863 305 T HN 0.378 nan 8.240 nan 0.000 0.428 306 Q N 0.449 120.302 119.800 0.089 0.000 2.096 306 Q HA -0.243 4.097 4.340 0.001 0.000 0.208 306 Q C 2.431 178.473 176.000 0.069 0.000 0.993 306 Q CA 1.800 57.649 55.803 0.078 0.000 0.862 306 Q CB -0.127 28.636 28.738 0.041 0.000 0.915 306 Q HN 0.621 nan 8.270 nan 0.000 0.416 307 Q N -0.455 119.368 119.800 0.038 0.000 2.084 307 Q HA -0.147 4.193 4.340 0.001 0.000 0.202 307 Q C 2.117 178.103 176.000 -0.023 0.000 0.978 307 Q CA 1.126 56.931 55.803 0.004 0.000 0.844 307 Q CB 0.049 28.781 28.738 -0.009 0.000 0.898 307 Q HN 0.440 nan 8.270 nan 0.000 0.426 308 I N -1.442 119.117 120.570 -0.020 0.000 2.353 308 I HA -0.203 3.968 4.170 0.001 0.000 0.248 308 I C 1.248 177.197 176.117 -0.281 0.000 1.119 308 I CA 1.353 62.559 61.300 -0.158 0.000 1.417 308 I CB -0.551 37.350 38.000 -0.165 0.000 1.078 308 I HN 0.375 nan 8.210 nan 0.000 0.421 309 W N 0.514 121.772 121.300 -0.069 0.000 3.013 309 W HA 0.019 4.679 4.660 0.000 0.000 0.280 309 W C 2.481 178.957 176.519 -0.071 0.000 1.249 309 W CA 0.580 57.876 57.345 -0.082 0.000 1.577 309 W CB -0.017 29.386 29.460 -0.096 0.000 1.057 309 W HN 0.058 nan 8.180 nan 0.000 0.613 310 S N -0.941 114.839 115.700 0.133 0.000 2.575 310 S HA 0.015 4.485 4.470 0.001 0.000 0.215 310 S C 1.251 175.870 174.600 0.033 0.000 0.966 310 S CA 0.477 58.725 58.200 0.081 0.000 0.911 310 S CB -0.427 62.810 63.200 0.062 0.000 0.780 310 S HN 0.036 nan 8.310 nan 0.000 0.514 311 S N 0.549 116.248 115.700 -0.002 0.000 2.663 311 S HA 0.362 4.832 4.470 0.001 0.000 0.243 311 S C 0.256 174.828 174.600 -0.048 0.000 1.009 311 S CA -0.314 57.870 58.200 -0.026 0.000 0.988 311 S CB 0.065 63.241 63.200 -0.040 0.000 0.896 311 S HN 0.377 nan 8.310 nan 0.000 0.502 312 S N 1.720 117.391 115.700 -0.048 0.000 2.610 312 S HA 0.349 4.819 4.470 0.001 0.000 0.273 312 S C 0.433 175.011 174.600 -0.037 0.000 1.274 312 S CA -0.171 57.987 58.200 -0.069 0.000 1.023 312 S CB 0.886 64.035 63.200 -0.086 0.000 0.962 312 S HN 0.493 nan 8.310 nan 0.000 0.523 313 D N 2.143 122.517 120.400 -0.043 0.000 2.363 313 D HA 0.113 4.754 4.640 0.001 0.000 0.214 313 D C 1.249 177.534 176.300 -0.026 0.000 1.093 313 D CA -0.081 53.903 54.000 -0.027 0.000 0.837 313 D CB -0.004 40.780 40.800 -0.027 0.000 0.948 313 D HN 0.550 nan 8.370 nan 0.000 0.507 314 R N 0.264 120.743 120.500 -0.036 0.000 2.142 314 R HA 0.206 4.546 4.340 0.001 0.000 0.204 314 R C -0.296 175.991 176.300 -0.022 0.000 1.059 314 R CA 0.296 56.375 56.100 -0.034 0.000 1.055 314 R CB 0.448 30.716 30.300 -0.052 0.000 0.976 314 R HN 0.002 nan 8.270 nan 0.000 0.483 315 V N 2.397 122.306 119.914 -0.008 0.000 2.383 315 V HA 0.480 4.600 4.120 0.001 0.000 0.275 315 V C -0.116 175.996 176.094 0.030 0.000 1.036 315 V CA -0.781 61.532 62.300 0.022 0.000 0.889 315 V CB 1.115 33.003 31.823 0.108 0.000 0.985 315 V HN 0.336 nan 8.190 nan 0.000 0.459 316 A N 5.690 128.524 122.820 0.024 0.000 2.320 316 A HA 0.706 5.027 4.320 0.001 0.000 0.287 316 A C -0.715 176.849 177.584 -0.033 0.000 1.181 316 A CA -0.287 51.775 52.037 0.042 0.000 0.831 316 A CB 0.464 19.537 19.000 0.122 0.000 1.102 316 A HN 0.801 nan 8.150 nan 0.000 0.513 317 L N 4.015 125.234 121.223 -0.007 0.000 2.296 317 L HA 0.685 5.026 4.340 0.001 0.000 0.286 317 L C -0.923 175.939 176.870 -0.013 0.000 1.023 317 L CA -0.125 54.682 54.840 -0.055 0.000 0.812 317 L CB 1.788 43.859 42.059 0.020 0.000 1.223 317 L HN 0.393 nan 8.230 nan 0.000 0.421 318 V N 4.669 124.560 119.914 -0.039 0.000 2.525 318 V HA 0.445 4.565 4.120 0.001 0.000 0.299 318 V C -0.435 175.715 176.094 0.094 0.000 1.034 318 V CA -0.796 61.559 62.300 0.092 0.000 0.863 318 V CB 1.759 33.736 31.823 0.257 0.000 0.999 318 V HN 0.788 nan 8.190 nan 0.000 0.423 319 N N 3.299 122.064 118.700 0.108 0.000 2.499 319 N HA 0.546 5.286 4.740 0.001 0.000 0.281 319 N C -0.975 174.651 175.510 0.194 0.000 1.098 319 N CA -0.020 53.093 53.050 0.106 0.000 0.979 319 N CB 1.607 40.139 38.487 0.074 0.000 1.121 319 N HN 0.421 nan 8.380 nan 0.000 0.466 320 V N 3.937 123.973 119.914 0.203 0.000 2.588 320 V HA 0.308 4.428 4.120 0.001 0.000 0.304 320 V C -1.134 175.119 176.094 0.266 0.000 1.042 320 V CA -0.867 61.624 62.300 0.318 0.000 0.877 320 V CB 1.138 33.157 31.823 0.327 0.000 0.996 320 V HN 0.608 nan 8.190 nan 0.000 0.425 321 Y N 2.790 123.199 120.300 0.183 0.000 2.331 321 Y HA 0.760 5.310 4.550 0.001 0.000 0.338 321 Y C 0.378 176.380 175.900 0.170 0.000 0.992 321 Y CA -0.624 57.550 58.100 0.123 0.000 1.121 321 Y CB 1.966 40.501 38.460 0.125 0.000 1.184 321 Y HN 0.692 nan 8.280 nan 0.000 0.469 322 G N 7.179 115.719 108.800 -0.433 0.000 3.594 322 G HA2 0.270 4.230 3.960 0.001 0.000 0.295 322 G HA3 0.270 4.230 3.960 0.001 0.000 0.295 322 G C -3.253 171.464 174.900 -0.306 0.000 1.576 322 G CA -1.115 43.825 45.100 -0.266 0.000 0.661 322 G HN 0.452 nan 8.290 nan 0.000 0.452 323 P HA 0.158 nan 4.420 nan 0.000 0.265 323 P C 1.347 178.575 177.300 -0.121 0.000 1.193 323 P CA 0.032 63.014 63.100 -0.197 0.000 0.765 323 P CB 1.097 32.719 31.700 -0.131 0.000 0.823 324 T N 1.414 115.939 114.554 -0.048 0.000 2.737 324 T HA -0.189 4.161 4.350 0.001 0.000 0.269 324 T C 1.188 175.849 174.700 -0.065 0.000 1.040 324 T CA 1.688 63.788 62.100 -0.000 0.000 1.142 324 T CB -0.423 68.495 68.868 0.083 0.000 0.861 324 T HN 0.528 nan 8.240 nan 0.000 0.456 325 E N 0.466 120.546 120.200 -0.201 0.000 2.401 325 E HA -0.016 4.334 4.350 0.001 0.000 0.199 325 E C 0.921 177.294 176.600 -0.378 0.000 1.023 325 E CA 0.404 56.557 56.400 -0.411 0.000 0.859 325 E CB 0.035 28.983 29.700 -1.253 0.000 0.780 325 E HN 0.302 nan 8.360 nan 0.000 0.523 326 V N 0.515 120.292 119.914 -0.228 0.000 2.854 326 V HA 0.116 4.236 4.120 0.001 0.000 0.366 326 V C -0.233 175.888 176.094 0.045 0.000 1.322 326 V CA -0.223 62.045 62.300 -0.054 0.000 1.243 326 V CB -0.275 31.562 31.823 0.024 0.000 1.337 326 V HN 0.103 nan 8.190 nan 0.000 0.585 327 T N 1.804 116.367 114.554 0.015 0.000 3.429 327 T HA -0.240 4.110 4.350 0.001 0.000 0.417 327 T C 0.964 175.693 174.700 0.048 0.000 0.767 327 T CA 1.073 63.198 62.100 0.042 0.000 2.141 327 T CB -1.394 67.529 68.868 0.091 0.000 1.699 327 T HN 0.674 nan 8.240 nan 0.000 0.685 328 I N -2.873 117.685 120.570 -0.021 0.000 4.431 328 I HA -0.265 3.905 4.170 0.001 0.000 0.062 328 I C 0.944 177.110 176.117 0.082 0.000 0.596 328 I CA 1.776 63.023 61.300 -0.090 0.000 1.045 328 I CB -1.394 36.310 38.000 -0.494 0.000 0.935 328 I HN 0.912 nan 8.210 nan 0.000 0.166 329 G N -0.233 108.777 108.800 0.350 0.000 2.417 329 G HA2 0.496 4.456 3.960 0.001 0.000 0.282 329 G HA3 0.496 4.456 3.960 0.001 0.000 0.282 329 G C -0.270 175.051 174.900 0.702 0.000 1.388 329 G CA 0.126 45.544 45.100 0.530 0.000 1.276 329 G HN 0.682 nan 8.290 nan 0.000 0.602 330 C N 0.138 119.714 119.300 0.459 0.000 3.070 330 C HA 0.727 5.187 4.460 0.001 0.000 0.280 330 C C 0.782 175.961 174.990 0.317 0.000 1.264 330 C CA -0.148 59.097 59.018 0.378 0.000 1.690 330 C CB -0.357 27.564 27.740 0.302 0.000 2.049 330 C HN 0.714 nan 8.230 nan 0.000 0.636 331 S N 0.228 116.155 115.700 0.378 0.000 2.540 331 S HA 0.803 5.274 4.470 0.001 0.000 0.275 331 S C -0.902 173.858 174.600 0.267 0.000 1.123 331 S CA 0.585 58.940 58.200 0.259 0.000 0.907 331 S CB 1.491 64.838 63.200 0.246 0.000 1.081 331 S HN 1.420 nan 8.310 nan 0.000 0.476 332 A N 2.178 125.081 122.820 0.139 0.000 2.612 332 A HA 0.951 5.272 4.320 0.001 0.000 0.293 332 A C -0.307 177.341 177.584 0.108 0.000 1.075 332 A CA -0.283 51.856 52.037 0.169 0.000 0.680 332 A CB 1.289 20.407 19.000 0.197 0.000 1.279 332 A HN 1.480 nan 8.150 nan 0.000 0.411 333 G N 0.096 108.971 108.800 0.125 0.000 2.733 333 G HA2 0.560 4.521 3.960 0.001 0.000 0.297 333 G HA3 0.560 4.521 3.960 0.001 0.000 0.297 333 G C -0.893 174.072 174.900 0.109 0.000 1.422 333 G CA -0.798 44.367 45.100 0.107 0.000 0.942 333 G HN 0.826 nan 8.290 nan 0.000 0.510 334 R N 0.710 121.272 120.500 0.103 0.000 2.623 334 R HA 0.236 4.576 4.340 0.001 0.000 0.271 334 R C -0.242 176.100 176.300 0.069 0.000 1.043 334 R CA -0.174 55.980 56.100 0.090 0.000 1.083 334 R CB 0.306 30.655 30.300 0.083 0.000 0.974 334 R HN 0.249 nan 8.270 nan 0.000 0.436 335 I N 6.582 127.187 120.570 0.058 0.000 2.339 335 I HA 0.237 4.407 4.170 0.001 0.000 0.290 335 I C 0.116 176.259 176.117 0.044 0.000 0.994 335 I CA -0.390 60.938 61.300 0.047 0.000 1.191 335 I CB 1.157 39.181 38.000 0.040 0.000 1.343 335 I HN 0.596 nan 8.210 nan 0.000 0.458 336 L N 7.514 128.761 121.223 0.039 0.000 2.298 336 L HA 0.481 4.821 4.340 0.001 0.000 0.268 336 L C -1.456 175.431 176.870 0.027 0.000 1.010 336 L CA -1.586 53.273 54.840 0.032 0.000 0.812 336 L CB 0.947 43.023 42.059 0.029 0.000 1.331 336 L HN 0.232 nan 8.230 nan 0.000 0.450 337 P HA -0.156 nan 4.420 nan 0.000 0.218 337 P C 0.445 177.754 177.300 0.014 0.000 1.148 337 P CA 1.201 64.310 63.100 0.015 0.000 0.822 337 P CB 0.039 31.742 31.700 0.005 0.000 0.784 338 D N -2.127 118.283 120.400 0.015 0.000 2.339 338 D HA 0.024 4.664 4.640 0.001 0.000 0.217 338 D C -0.038 176.273 176.300 0.019 0.000 1.050 338 D CA 0.116 54.125 54.000 0.015 0.000 0.856 338 D CB -0.375 40.433 40.800 0.014 0.000 0.922 338 D HN -0.016 nan 8.370 nan 0.000 0.518 339 S N 1.243 116.957 115.700 0.023 0.000 2.562 339 S HA -0.005 4.465 4.470 0.001 0.000 0.281 339 S C 0.103 174.717 174.600 0.023 0.000 1.333 339 S CA -0.402 57.813 58.200 0.025 0.000 1.052 339 S CB 1.163 64.381 63.200 0.030 0.000 0.884 339 S HN 0.228 nan 8.310 nan 0.000 0.506 340 D N 1.714 122.127 120.400 0.023 0.000 2.425 340 D HA 0.006 4.646 4.640 0.001 0.000 0.247 340 D C 1.349 177.666 176.300 0.029 0.000 1.147 340 D CA 0.133 54.148 54.000 0.025 0.000 0.879 340 D CB 0.944 41.758 40.800 0.023 0.000 1.179 340 D HN 0.618 nan 8.370 nan 0.000 0.456 341 T N 1.411 115.983 114.554 0.030 0.000 3.118 341 T HA 0.011 4.362 4.350 0.001 0.000 0.260 341 T C 1.528 176.252 174.700 0.040 0.000 1.139 341 T CA 0.375 62.493 62.100 0.030 0.000 1.085 341 T CB 0.030 68.911 68.868 0.022 0.000 0.934 341 T HN 0.381 nan 8.240 nan 0.000 0.518 342 R N -0.121 120.413 120.500 0.057 0.000 2.299 342 R HA 0.243 4.583 4.340 0.001 0.000 0.197 342 R C 0.961 177.312 176.300 0.085 0.000 0.971 342 R CA -0.148 56.009 56.100 0.094 0.000 1.030 342 R CB -0.522 29.848 30.300 0.117 0.000 0.932 342 R HN 0.381 nan 8.270 nan 0.000 0.477 343 C N 2.471 121.799 119.300 0.047 0.000 2.651 343 C HA 0.136 4.597 4.460 0.001 0.000 0.410 343 C C 1.747 176.754 174.990 0.029 0.000 1.372 343 C CA -0.634 58.398 59.018 0.022 0.000 1.707 343 C CB -0.876 26.868 27.740 0.007 0.000 2.501 343 C HN 0.580 nan 8.230 nan 0.000 0.598 344 I N 4.935 125.514 120.570 0.016 0.000 3.904 344 I HA 0.450 4.620 4.170 0.001 0.000 0.333 344 I C 1.053 177.183 176.117 0.022 0.000 1.361 344 I CA 0.389 61.716 61.300 0.044 0.000 1.116 344 I CB -0.838 37.188 38.000 0.044 0.000 1.028 344 I HN 0.913 nan 8.210 nan 0.000 0.398 345 G N 1.931 110.698 108.800 -0.056 0.000 2.498 345 G HA2 -0.248 3.713 3.960 0.001 0.000 0.245 345 G HA3 -0.248 3.713 3.960 0.001 0.000 0.245 345 G C -0.617 174.110 174.900 -0.289 0.000 1.204 345 G CA 0.104 45.137 45.100 -0.112 0.000 0.933 345 G HN 0.655 nan 8.290 nan 0.000 0.574 346 H N 1.272 120.351 119.070 0.016 0.000 2.679 346 H HA 0.598 5.154 4.556 0.000 0.000 0.367 346 H C -2.258 173.071 175.328 0.002 0.000 1.162 346 H CA -1.227 54.821 56.048 0.001 0.000 1.181 346 H CB 1.839 31.592 29.762 -0.015 0.000 1.693 346 H HN 0.464 nan 8.280 nan 0.000 0.538 347 P HA -0.005 nan 4.420 nan 0.000 0.267 347 P C -0.519 176.804 177.300 0.039 0.000 1.200 347 P CA 0.125 63.279 63.100 0.091 0.000 0.772 347 P CB 0.673 32.419 31.700 0.077 0.000 0.855 348 L N 1.657 122.886 121.223 0.010 0.000 2.360 348 L HA 0.514 4.854 4.340 0.001 0.000 0.271 348 L C 1.606 178.450 176.870 -0.044 0.000 1.057 348 L CA 0.087 54.868 54.840 -0.099 0.000 0.803 348 L CB 0.343 42.263 42.059 -0.232 0.000 1.207 348 L HN 0.689 nan 8.230 nan 0.000 0.445 349 G N 2.149 110.902 108.800 -0.080 0.000 2.611 349 G HA2 -0.406 3.554 3.960 0.001 0.000 0.301 349 G HA3 -0.406 3.554 3.960 0.001 0.000 0.301 349 G C 0.361 175.263 174.900 0.003 0.000 1.233 349 G CA 0.618 45.698 45.100 -0.033 0.000 0.993 349 G HN 0.951 nan 8.290 nan 0.000 0.553 350 D N 0.711 121.131 120.400 0.032 0.000 2.325 350 D HA 0.326 4.966 4.640 0.001 0.000 0.225 350 D C 1.130 177.467 176.300 0.062 0.000 1.096 350 D CA 0.759 54.787 54.000 0.046 0.000 0.844 350 D CB -0.208 40.630 40.800 0.063 0.000 0.925 350 D HN 0.451 nan 8.370 nan 0.000 0.513 351 S N -0.364 115.376 115.700 0.067 0.000 2.568 351 S HA 0.289 4.759 4.470 0.001 0.000 0.282 351 S C 0.054 174.690 174.600 0.061 0.000 1.338 351 S CA -0.568 57.684 58.200 0.087 0.000 1.045 351 S CB 1.602 64.867 63.200 0.109 0.000 0.873 351 S HN 0.121 nan 8.310 nan 0.000 0.516 352 V N 2.089 122.038 119.914 0.058 0.000 2.487 352 V HA 0.630 4.750 4.120 0.001 0.000 0.298 352 V C 0.153 176.201 176.094 -0.077 0.000 1.028 352 V CA -0.863 61.419 62.300 -0.029 0.000 0.860 352 V CB 1.435 33.226 31.823 -0.053 0.000 0.991 352 V HN 0.993 nan 8.190 nan 0.000 0.427 353 A N 4.826 127.579 122.820 -0.112 0.000 2.301 353 A HA 0.700 5.020 4.320 0.001 0.000 0.298 353 A C -0.270 177.163 177.584 -0.251 0.000 1.185 353 A CA -0.363 51.622 52.037 -0.086 0.000 0.830 353 A CB 0.185 19.171 19.000 -0.023 0.000 1.112 353 A HN 0.904 nan 8.150 nan 0.000 0.508 354 H N 1.180 120.256 119.070 0.010 0.000 2.569 354 H HA 0.484 5.040 4.556 0.001 0.000 0.357 354 H C -1.070 174.196 175.328 -0.103 0.000 1.153 354 H CA -0.600 55.414 56.048 -0.058 0.000 1.193 354 H CB 1.924 31.578 29.762 -0.180 0.000 1.602 354 H HN 0.366 nan 8.280 nan 0.000 0.523 355 V N 4.821 124.733 119.914 -0.003 0.000 2.357 355 V HA 0.293 4.413 4.120 0.001 0.000 0.284 355 V C 0.205 176.240 176.094 -0.099 0.000 1.018 355 V CA -0.552 61.722 62.300 -0.043 0.000 0.841 355 V CB 1.041 32.850 31.823 -0.024 0.000 0.991 355 V HN 0.441 nan 8.190 nan 0.000 0.437 356 L N 3.157 124.312 121.223 -0.114 0.000 2.319 356 L HA 0.808 5.148 4.340 0.001 0.000 0.267 356 L C 0.718 177.546 176.870 -0.070 0.000 1.011 356 L CA -0.982 53.781 54.840 -0.128 0.000 0.818 356 L CB 1.818 43.779 42.059 -0.163 0.000 1.316 356 L HN 0.682 nan 8.230 nan 0.000 0.432 357 A N 1.946 124.738 122.820 -0.047 0.000 2.546 357 A HA 0.200 4.521 4.320 0.001 0.000 0.243 357 A C -1.660 175.900 177.584 -0.040 0.000 1.063 357 A CA -0.745 51.272 52.037 -0.032 0.000 0.757 357 A CB -0.260 18.731 19.000 -0.015 0.000 0.991 357 A HN 0.617 nan 8.150 nan 0.000 0.503 358 P HA -0.154 nan 4.420 nan 0.000 0.217 358 P C 1.296 178.577 177.300 -0.032 0.000 1.148 358 P CA 2.088 65.165 63.100 -0.039 0.000 0.834 358 P CB 0.212 31.893 31.700 -0.032 0.000 0.783 359 G N -2.199 106.588 108.800 -0.022 0.000 3.126 359 G HA2 0.198 4.158 3.960 0.001 0.000 0.224 359 G HA3 0.198 4.158 3.960 0.001 0.000 0.224 359 G C 0.399 175.291 174.900 -0.014 0.000 1.142 359 G CA 0.484 45.575 45.100 -0.014 0.000 0.759 359 G HN 0.461 nan 8.290 nan 0.000 0.550 360 S N -0.952 114.736 115.700 -0.021 0.000 2.903 360 S HA 0.412 4.882 4.470 0.001 0.000 0.314 360 S C -0.100 174.480 174.600 -0.033 0.000 1.177 360 S CA -0.739 57.450 58.200 -0.017 0.000 0.859 360 S CB 1.204 64.401 63.200 -0.005 0.000 1.265 360 S HN -0.114 nan 8.310 nan 0.000 0.584 361 N N 0.990 119.676 118.700 -0.024 0.000 2.238 361 N HA 0.267 5.008 4.740 0.001 0.000 0.222 361 N C -0.983 174.521 175.510 -0.010 0.000 1.133 361 N CA -0.021 53.005 53.050 -0.040 0.000 0.854 361 N CB 0.242 38.713 38.487 -0.026 0.000 1.041 361 N HN 0.504 nan 8.380 nan 0.000 0.510 362 E N 0.788 120.993 120.200 0.008 0.000 2.259 362 E HA 0.096 4.446 4.350 0.001 0.000 0.281 362 E C -0.163 176.474 176.600 0.063 0.000 1.037 362 E CA -0.273 56.167 56.400 0.067 0.000 0.854 362 E CB 0.578 30.307 29.700 0.048 0.000 1.051 362 E HN 0.238 nan 8.360 nan 0.000 0.409 363 H N 0.050 119.129 119.070 0.015 0.000 2.815 363 H HA 0.090 4.646 4.556 0.001 0.000 0.350 363 H C 0.454 175.794 175.328 0.021 0.000 1.080 363 H CA -0.159 55.909 56.048 0.033 0.000 1.433 363 H CB 0.507 30.302 29.762 0.055 0.000 1.432 363 H HN 0.248 nan 8.280 nan 0.000 0.592 364 V N 0.293 120.269 119.914 0.103 0.000 2.997 364 V HA 0.325 4.445 4.120 0.001 0.000 0.311 364 V C 0.318 176.456 176.094 0.073 0.000 1.066 364 V CA -1.260 61.078 62.300 0.063 0.000 1.039 364 V CB 1.099 32.935 31.823 0.022 0.000 1.081 364 V HN 0.633 nan 8.190 nan 0.000 0.467 365 K N 1.550 121.978 120.400 0.047 0.000 2.401 365 K HA 0.145 4.465 4.320 0.001 0.000 0.278 365 K C 0.117 176.737 176.600 0.033 0.000 1.018 365 K CA -0.027 56.283 56.287 0.039 0.000 0.981 365 K CB 0.447 32.962 32.500 0.025 0.000 0.933 365 K HN 0.767 nan 8.250 nan 0.000 0.477 366 K N 1.711 122.132 120.400 0.035 0.000 2.511 366 K HA 0.025 4.346 4.320 0.001 0.000 0.280 366 K C 0.275 176.885 176.600 0.016 0.000 1.008 366 K CA 1.067 57.371 56.287 0.028 0.000 1.050 366 K CB 0.092 32.609 32.500 0.028 0.000 0.889 366 K HN 0.783 nan 8.250 nan 0.000 0.484 370 G N -0.233 108.530 108.800 -0.061 0.000 2.548 370 G HA2 0.555 4.515 3.960 0.001 0.000 0.301 370 G HA3 0.555 4.515 3.960 0.001 0.000 0.301 370 G C -1.286 173.569 174.900 -0.077 0.000 1.349 370 G CA -0.161 44.903 45.100 -0.059 0.000 0.792 370 G HN 0.936 nan 8.290 nan 0.000 0.481 371 E N -0.214 119.943 120.200 -0.072 0.000 2.316 371 E HA 0.340 4.690 4.350 0.001 0.000 0.275 371 E C -0.457 176.104 176.600 -0.064 0.000 1.029 371 E CA -0.656 55.700 56.400 -0.074 0.000 0.871 371 E CB 1.000 30.656 29.700 -0.072 0.000 1.022 371 E HN 0.375 nan 8.360 nan 0.000 0.418 372 L N 5.714 126.905 121.223 -0.052 0.000 2.410 372 L HA 0.192 4.533 4.340 0.001 0.000 0.273 372 L C -1.255 175.622 176.870 0.011 0.000 1.144 372 L CA 0.118 54.948 54.840 -0.018 0.000 0.863 372 L CB 1.037 43.083 42.059 -0.021 0.000 1.140 372 L HN 0.324 nan 8.230 nan 0.000 0.463 373 V N 6.774 126.713 119.914 0.043 0.000 2.483 373 V HA 0.471 4.592 4.120 0.001 0.000 0.297 373 V C -0.165 176.032 176.094 0.172 0.000 1.027 373 V CA -0.685 61.648 62.300 0.055 0.000 0.855 373 V CB 1.703 33.523 31.823 -0.006 0.000 0.995 373 V HN 0.533 nan 8.190 nan 0.000 0.424 374 I N 3.797 124.482 120.570 0.190 0.000 2.460 374 I HA 0.580 4.750 4.170 0.001 0.000 0.298 374 I C 0.074 176.328 176.117 0.228 0.000 0.989 374 I CA -0.350 61.086 61.300 0.225 0.000 1.173 374 I CB 1.775 39.922 38.000 0.246 0.000 1.338 374 I HN 0.759 nan 8.210 nan 0.000 0.456 375 E N 3.025 123.363 120.200 0.230 0.000 2.288 375 E HA 0.666 5.016 4.350 0.001 0.000 0.268 375 E C -0.442 176.260 176.600 0.170 0.000 0.885 375 E CA -0.459 56.067 56.400 0.211 0.000 0.767 375 E CB 2.674 32.542 29.700 0.280 0.000 1.220 375 E HN 0.876 nan 8.360 nan 0.000 0.427 376 G N 1.159 110.053 108.800 0.156 0.000 2.316 376 G HA2 -0.166 3.794 3.960 0.001 0.000 0.349 376 G HA3 -0.166 3.794 3.960 0.001 0.000 0.349 376 G C 0.129 175.125 174.900 0.160 0.000 1.274 376 G CA -0.139 45.048 45.100 0.144 0.000 1.018 376 G HN 0.389 nan 8.290 nan 0.000 0.486 377 S N -0.242 115.562 115.700 0.173 0.000 2.555 377 S HA 0.091 4.561 4.470 0.001 0.000 0.230 377 S C 2.058 176.765 174.600 0.178 0.000 0.978 377 S CA 1.055 59.394 58.200 0.231 0.000 0.934 377 S CB -0.238 63.089 63.200 0.212 0.000 0.766 377 S HN 0.425 nan 8.310 nan 0.000 0.533 378 L N 0.814 122.132 121.223 0.158 0.000 2.585 378 L HA 0.201 4.541 4.340 0.001 0.000 0.226 378 L C 0.057 177.004 176.870 0.128 0.000 1.113 378 L CA -0.020 54.913 54.840 0.155 0.000 0.876 378 L CB 0.097 42.273 42.059 0.195 0.000 1.072 378 L HN 0.070 nan 8.230 nan 0.000 0.468 379 V N 1.529 121.529 119.914 0.143 0.000 2.479 379 V HA 0.198 4.318 4.120 0.001 0.000 0.281 379 V C 0.952 177.131 176.094 0.143 0.000 1.031 379 V CA -0.377 62.014 62.300 0.151 0.000 1.038 379 V CB 0.688 32.629 31.823 0.197 0.000 0.981 379 V HN 0.261 nan 8.190 nan 0.000 0.478 380 A N 4.873 127.784 122.820 0.152 0.000 2.327 380 A HA 0.252 4.572 4.320 0.001 0.000 0.255 380 A C 1.333 178.847 177.584 -0.117 0.000 1.099 380 A CA -0.274 51.766 52.037 0.005 0.000 0.801 380 A CB 0.010 18.977 19.000 -0.055 0.000 1.062 380 A HN 0.809 nan 8.150 nan 0.000 0.496 381 N N -0.135 118.405 118.700 -0.267 0.000 2.166 381 N HA 0.153 4.893 4.740 0.001 0.000 0.186 381 N C 0.837 175.964 175.510 -0.638 0.000 1.019 381 N CA 1.664 54.521 53.050 -0.321 0.000 0.856 381 N CB -0.191 38.149 38.487 -0.246 0.000 0.993 381 N HN 1.115 nan 8.380 nan 0.000 0.426 382 G N -1.961 106.210 108.800 -1.049 0.000 2.359 382 G HA2 0.126 4.086 3.960 0.001 0.000 0.293 382 G HA3 0.126 4.086 3.960 0.001 0.000 0.293 382 G C -1.823 172.509 174.900 -0.946 0.000 1.300 382 G CA -0.903 43.195 45.100 -1.670 0.000 0.888 382 G HN -0.040 nan 8.290 nan 0.000 0.541 383 Y N -0.669 119.381 120.300 -0.418 0.000 2.304 383 Y HA 0.569 5.120 4.550 0.000 0.000 0.327 383 Y C 0.845 176.659 175.900 -0.143 0.000 1.209 383 Y CA -0.653 57.362 58.100 -0.141 0.000 1.299 383 Y CB 1.410 39.892 38.460 0.038 0.000 1.249 383 Y HN 0.496 nan 8.280 nan 0.000 0.519 384 L N 4.919 126.173 121.223 0.051 0.000 2.325 384 L HA 0.286 4.626 4.340 0.001 0.000 0.284 384 L C -0.109 176.787 176.870 0.042 0.000 1.089 384 L CA -0.201 54.637 54.840 -0.003 0.000 0.836 384 L CB -0.648 41.381 42.059 -0.050 0.000 1.184 384 L HN 0.704 nan 8.230 nan 0.000 0.444 385 N N 4.276 122.999 118.700 0.038 0.000 2.738 385 N HA -0.191 4.550 4.740 0.001 0.000 0.249 385 N C -0.668 174.881 175.510 0.064 0.000 1.047 385 N CA 0.554 53.630 53.050 0.045 0.000 0.707 385 N CB -0.677 37.830 38.487 0.034 0.000 0.937 385 N HN 0.589 nan 8.380 nan 0.000 0.545 386 R N -0.083 120.467 120.500 0.083 0.000 2.681 386 R HA 0.212 4.553 4.340 0.001 0.000 0.277 386 R C -1.589 174.767 176.300 0.094 0.000 1.563 386 R CA -1.106 55.037 56.100 0.072 0.000 1.673 386 R CB 0.887 31.201 30.300 0.023 0.000 1.258 386 R HN 0.104 nan 8.270 nan 0.000 0.650 387 P HA -0.096 nan 4.420 nan 0.000 0.220 387 P C 0.274 177.626 177.300 0.086 0.000 1.148 387 P CA 1.007 64.155 63.100 0.081 0.000 0.803 387 P CB 0.481 32.215 31.700 0.057 0.000 0.782 388 D N -0.403 120.037 120.400 0.068 0.000 2.348 388 D HA 0.095 4.735 4.640 0.001 0.000 0.211 388 D C 0.845 177.186 176.300 0.068 0.000 0.998 388 D CA 0.267 54.303 54.000 0.060 0.000 0.873 388 D CB -0.114 40.710 40.800 0.039 0.000 0.925 388 D HN 0.110 nan 8.370 nan 0.000 0.524 389 A N 1.461 124.327 122.820 0.075 0.000 2.347 389 A HA 0.233 4.553 4.320 0.001 0.000 0.287 389 A C 0.583 178.317 177.584 0.250 0.000 1.199 389 A CA -0.234 51.843 52.037 0.066 0.000 0.851 389 A CB 0.378 19.277 19.000 -0.169 0.000 1.118 389 A HN -0.091 nan 8.150 nan 0.000 0.525 390 K N 1.058 121.586 120.400 0.212 0.000 2.148 390 K HA 0.747 5.068 4.320 0.001 0.000 0.239 390 K C 0.970 177.730 176.600 0.265 0.000 1.018 390 K CA -0.094 56.325 56.287 0.220 0.000 0.923 390 K CB 1.108 33.670 32.500 0.103 0.000 1.117 390 K HN 1.011 nan 8.250 nan 0.000 0.477 391 G N 0.233 109.094 108.800 0.102 0.000 3.180 391 G HA2 -0.167 3.793 3.960 0.001 0.000 0.197 391 G HA3 -0.167 3.793 3.960 0.001 0.000 0.197 391 G C -0.520 174.242 174.900 -0.230 0.000 1.149 391 G CA -0.711 44.269 45.100 -0.200 0.000 0.847 391 G HN 0.377 nan 8.290 nan 0.000 0.469 392 F N 2.528 122.564 119.950 0.143 0.000 2.396 392 F HA 0.609 5.136 4.527 0.000 0.000 0.343 392 F C 1.237 177.074 175.800 0.061 0.000 1.104 392 F CA 0.192 58.267 58.000 0.125 0.000 1.161 392 F CB 1.227 40.259 39.000 0.053 0.000 1.146 392 F HN 0.703 nan 8.300 nan 0.000 0.522 393 C N -0.114 119.308 119.300 0.204 0.000 3.259 393 C HA 0.573 5.034 4.460 0.001 0.000 0.344 393 C C -1.671 173.373 174.990 0.089 0.000 1.401 393 C CA -1.356 57.734 59.018 0.119 0.000 1.219 393 C CB 1.236 29.012 27.740 0.059 0.000 1.521 393 C HN 0.720 nan 8.230 nan 0.000 0.455 394 D N 0.501 120.937 120.400 0.059 0.000 2.193 394 D HA 0.737 5.377 4.640 0.001 0.000 0.244 394 D C -0.692 175.619 176.300 0.018 0.000 1.064 394 D CA 0.058 54.083 54.000 0.042 0.000 0.845 394 D CB 1.210 42.033 40.800 0.038 0.000 1.148 394 D HN 0.600 nan 8.370 nan 0.000 0.464 395 I N 2.744 123.316 120.570 0.004 0.000 2.447 395 I HA 0.201 4.371 4.170 0.001 0.000 0.287 395 I C -0.473 175.635 176.117 -0.014 0.000 1.023 395 I CA -0.827 60.460 61.300 -0.022 0.000 1.083 395 I CB 1.436 39.394 38.000 -0.071 0.000 1.245 395 I HN 0.322 nan 8.210 nan 0.000 0.434 396 N N 4.768 123.466 118.700 -0.003 0.000 2.716 396 N HA -0.200 4.541 4.740 0.001 0.000 0.250 396 N C 0.926 176.445 175.510 0.015 0.000 1.033 396 N CA 1.256 54.311 53.050 0.008 0.000 0.727 396 N CB -1.250 37.244 38.487 0.011 0.000 0.950 396 N HN 1.158 nan 8.380 nan 0.000 0.541 397 G N -0.869 107.940 108.800 0.016 0.000 2.233 397 G HA2 -0.378 3.583 3.960 0.001 0.000 0.270 397 G HA3 -0.378 3.583 3.960 0.001 0.000 0.270 397 G C 0.067 174.984 174.900 0.028 0.000 1.011 397 G CA 0.898 46.011 45.100 0.021 0.000 0.762 397 G HN 0.693 nan 8.290 nan 0.000 0.511 398 R N -0.616 119.903 120.500 0.032 0.000 2.740 398 R HA 0.590 4.930 4.340 0.001 0.000 0.282 398 R C 0.393 176.728 176.300 0.057 0.000 0.969 398 R CA -0.924 55.204 56.100 0.047 0.000 0.918 398 R CB 1.830 32.166 30.300 0.060 0.000 1.175 398 R HN 0.220 nan 8.270 nan 0.000 0.464 402 R N 3.561 123.632 120.500 -0.715 0.000 2.248 402 R HA 0.255 4.595 4.340 0.001 0.000 0.328 402 R C 0.951 176.765 176.300 -0.810 0.000 1.067 402 R CA 0.464 56.248 56.100 -0.528 0.000 0.924 402 R CB 0.984 31.088 30.300 -0.327 0.000 1.013 402 R HN 0.849 nan 8.270 nan 0.000 0.454 403 T N -0.688 113.649 114.554 -0.360 0.000 3.023 403 T HA 0.039 4.389 4.350 0.001 0.000 0.266 403 T C 1.515 176.209 174.700 -0.010 0.000 1.093 403 T CA 0.585 62.630 62.100 -0.091 0.000 1.129 403 T CB 0.149 69.176 68.868 0.264 0.000 0.899 403 T HN 0.807 nan 8.240 nan 0.000 0.491 404 G N 1.349 110.113 108.800 -0.060 0.000 2.162 404 G HA2 -0.196 3.765 3.960 0.001 0.000 0.260 404 G HA3 -0.196 3.765 3.960 0.001 0.000 0.260 404 G C -0.426 174.498 174.900 0.040 0.000 0.976 404 G CA 0.191 45.291 45.100 -0.000 0.000 0.655 404 G HN 0.612 nan 8.290 nan 0.000 0.533 405 D N 0.254 120.689 120.400 0.059 0.000 2.163 405 D HA 0.584 5.225 4.640 0.001 0.000 0.248 405 D C 0.523 176.737 176.300 -0.144 0.000 1.035 405 D CA -0.412 53.586 54.000 -0.003 0.000 0.872 405 D CB 1.296 42.216 40.800 0.201 0.000 1.183 405 D HN 0.028 nan 8.370 nan 0.000 0.445 406 I N 1.951 122.349 120.570 -0.286 0.000 2.359 406 I HA 0.345 4.515 4.170 0.001 0.000 0.294 406 I C 0.505 176.414 176.117 -0.346 0.000 0.987 406 I CA -0.804 60.345 61.300 -0.252 0.000 1.225 406 I CB 0.925 38.801 38.000 -0.207 0.000 1.366 406 I HN 0.151 nan 8.210 nan 0.000 0.466 407 V N 4.853 124.636 119.914 -0.218 0.000 3.181 407 V HA 0.835 4.955 4.120 0.001 0.000 0.308 407 V C -0.711 175.316 176.094 -0.112 0.000 1.214 407 V CA -0.984 61.205 62.300 -0.186 0.000 1.053 407 V CB 2.570 34.297 31.823 -0.159 0.000 1.069 407 V HN 0.927 nan 8.190 nan 0.000 0.441 411 A N 0.453 123.281 122.820 0.013 0.000 1.940 411 A HA -0.164 4.157 4.320 0.001 0.000 0.219 411 A C 1.172 178.777 177.584 0.034 0.000 1.176 411 A CA 2.376 54.426 52.037 0.020 0.000 0.631 411 A CB -0.378 18.633 19.000 0.019 0.000 0.814 411 A HN 0.558 nan 8.150 nan 0.000 0.446 412 D N -1.709 118.719 120.400 0.046 0.000 2.328 412 D HA 0.116 4.756 4.640 0.001 0.000 0.226 412 D C 0.509 176.896 176.300 0.144 0.000 1.066 412 D CA 0.883 54.932 54.000 0.082 0.000 0.861 412 D CB -0.309 40.548 40.800 0.094 0.000 0.912 412 D HN 0.250 nan 8.370 nan 0.000 0.521 413 S N -1.498 114.254 115.700 0.087 0.000 2.765 413 S HA -0.206 4.264 4.470 0.001 0.000 0.266 413 S C 0.587 175.167 174.600 -0.034 0.000 1.302 413 S CA 0.765 59.020 58.200 0.091 0.000 1.274 413 S CB -2.232 61.070 63.200 0.169 0.000 1.559 413 S HN 0.783 nan 8.310 nan 0.000 0.658 414 S N 0.961 116.546 115.700 -0.192 0.000 2.600 414 S HA 0.684 5.154 4.470 0.001 0.000 0.265 414 S C 0.001 174.466 174.600 -0.225 0.000 1.325 414 S CA -0.605 57.284 58.200 -0.519 0.000 1.002 414 S CB 0.716 63.651 63.200 -0.443 0.000 0.921 414 S HN 0.391 nan 8.310 nan 0.000 0.554 415 I N 1.172 121.620 120.570 -0.203 0.000 2.404 415 I HA 0.364 4.534 4.170 0.001 0.000 0.293 415 I C -0.643 175.429 176.117 -0.075 0.000 0.992 415 I CA -0.686 60.543 61.300 -0.119 0.000 1.149 415 I CB 1.472 39.398 38.000 -0.125 0.000 1.315 415 I HN 0.497 nan 8.210 nan 0.000 0.446 416 L N 5.887 127.082 121.223 -0.047 0.000 2.282 416 L HA 0.402 4.743 4.340 0.001 0.000 0.288 416 L C -0.565 176.314 176.870 0.015 0.000 1.033 416 L CA -0.569 54.272 54.840 0.000 0.000 0.807 416 L CB 1.278 43.334 42.059 -0.005 0.000 1.209 416 L HN 0.447 nan 8.230 nan 0.000 0.423 417 F N 3.884 123.792 119.950 -0.069 0.000 2.445 417 F HA 0.264 4.792 4.527 0.001 0.000 0.359 417 F C 0.555 176.343 175.800 -0.020 0.000 1.101 417 F CA -0.101 57.863 58.000 -0.060 0.000 1.177 417 F CB 0.601 39.578 39.000 -0.038 0.000 1.110 417 F HN 0.383 nan 8.300 nan 0.000 0.522 418 L N 4.921 125.817 121.223 -0.545 0.000 2.425 418 L HA 0.487 4.828 4.340 0.001 0.000 0.215 418 L C 1.088 177.755 176.870 -0.339 0.000 1.065 418 L CA 0.444 55.105 54.840 -0.297 0.000 0.842 418 L CB -0.283 41.647 42.059 -0.215 0.000 1.033 418 L HN 0.848 nan 8.230 nan 0.000 0.474 419 G N -0.419 107.922 108.800 -0.765 0.000 2.356 419 G HA2 0.122 4.082 3.960 0.001 0.000 0.288 419 G HA3 0.122 4.082 3.960 0.001 0.000 0.288 419 G C -1.549 173.181 174.900 -0.283 0.000 1.302 419 G CA -0.917 43.997 45.100 -0.310 0.000 0.887 419 G HN -0.217 nan 8.290 nan 0.000 0.521 420 R N 0.435 120.924 120.500 -0.020 0.000 2.457 420 R HA 0.428 4.769 4.340 0.001 0.000 0.284 420 R C 0.347 176.638 176.300 -0.015 0.000 1.024 420 R CA -0.705 55.410 56.100 0.026 0.000 1.025 420 R CB 1.497 31.854 30.300 0.095 0.000 1.063 420 R HN 0.649 nan 8.270 nan 0.000 0.493 421 K N 1.456 121.848 120.400 -0.013 0.000 2.382 421 K HA 0.011 4.332 4.320 0.001 0.000 0.275 421 K C -0.818 175.786 176.600 0.006 0.000 1.009 421 K CA 0.066 56.343 56.287 -0.017 0.000 0.970 421 K CB 0.491 32.979 32.500 -0.021 0.000 0.934 421 K HN 0.327 nan 8.250 nan 0.000 0.479 422 D N 2.621 123.024 120.400 0.006 0.000 2.252 422 D HA 0.183 4.823 4.640 0.001 0.000 0.245 422 D C -0.879 175.429 176.300 0.013 0.000 1.009 422 D CA -0.474 53.536 54.000 0.017 0.000 0.870 422 D CB 1.506 42.321 40.800 0.025 0.000 1.251 422 D HN 0.367 nan 8.370 nan 0.000 0.460 423 E N 0.838 121.049 120.200 0.018 0.000 2.392 423 E HA 0.128 4.478 4.350 0.001 0.000 0.264 423 E C -0.180 176.429 176.600 0.016 0.000 1.024 423 E CA -0.113 56.297 56.400 0.015 0.000 0.903 423 E CB 0.374 30.084 29.700 0.018 0.000 0.963 423 E HN 0.201 nan 8.360 nan 0.000 0.432 424 Q N 0.334 120.143 119.800 0.015 0.000 2.352 424 Q HA 0.097 4.438 4.340 0.001 0.000 0.326 424 Q C -0.808 175.206 176.000 0.023 0.000 1.135 424 Q CA 0.554 56.368 55.803 0.019 0.000 1.000 424 Q CB 0.356 29.107 28.738 0.022 0.000 1.237 424 Q HN 0.199 nan 8.270 nan 0.000 0.409 425 V N 2.654 122.585 119.914 0.027 0.000 2.498 425 V HA 0.163 4.283 4.120 0.001 0.000 0.283 425 V C -0.344 175.776 176.094 0.043 0.000 1.015 425 V CA -0.691 61.627 62.300 0.029 0.000 0.867 425 V CB 1.403 33.240 31.823 0.024 0.000 1.025 425 V HN 0.666 nan 8.190 nan 0.000 0.441 431 R N 0.767 121.357 120.500 0.149 0.000 2.407 431 R HA 0.697 5.037 4.340 0.001 0.000 0.303 431 R C -0.695 175.740 176.300 0.224 0.000 0.981 431 R CA -0.700 55.494 56.100 0.157 0.000 0.905 431 R CB 1.161 31.515 30.300 0.089 0.000 1.099 431 R HN 0.397 nan 8.270 nan 0.000 0.459 432 L N 1.595 122.885 121.223 0.111 0.000 2.365 432 L HA 0.369 4.710 4.340 0.001 0.000 0.273 432 L C -0.896 175.976 176.870 0.003 0.000 1.000 432 L CA -0.255 54.599 54.840 0.023 0.000 0.819 432 L CB 2.018 44.064 42.059 -0.021 0.000 1.284 432 L HN 0.508 nan 8.230 nan 0.000 0.418 433 E N 5.645 125.832 120.200 -0.023 0.000 2.028 433 E HA 0.200 4.550 4.350 0.001 0.000 0.266 433 E C 0.936 177.516 176.600 -0.033 0.000 0.962 433 E CA -0.170 56.218 56.400 -0.020 0.000 0.784 433 E CB 1.200 30.890 29.700 -0.017 0.000 1.114 433 E HN 0.721 nan 8.360 nan 0.000 0.414 434 L N 1.175 122.386 121.223 -0.020 0.000 2.043 434 L HA -0.213 4.128 4.340 0.001 0.000 0.212 434 L C 2.198 179.058 176.870 -0.017 0.000 1.075 434 L CA 1.762 56.593 54.840 -0.016 0.000 0.752 434 L CB -0.415 41.648 42.059 0.007 0.000 0.891 434 L HN 0.542 nan 8.230 nan 0.000 0.432 435 G N -0.838 107.953 108.800 -0.016 0.000 2.432 435 G HA2 -0.275 3.685 3.960 0.001 0.000 0.219 435 G HA3 -0.275 3.685 3.960 0.001 0.000 0.219 435 G C 1.472 176.357 174.900 -0.026 0.000 1.135 435 G CA 0.695 45.783 45.100 -0.020 0.000 0.767 435 G HN 0.438 nan 8.290 nan 0.000 0.550 436 E N -0.087 120.094 120.200 -0.031 0.000 2.077 436 E HA -0.108 4.242 4.350 0.001 0.000 0.193 436 E C 2.673 179.247 176.600 -0.043 0.000 0.989 436 E CA 1.050 57.428 56.400 -0.036 0.000 0.800 436 E CB -0.040 29.636 29.700 -0.040 0.000 0.746 436 E HN 0.270 nan 8.360 nan 0.000 0.452 437 V N 0.643 120.525 119.914 -0.054 0.000 2.255 437 V HA -0.280 3.840 4.120 0.001 0.000 0.247 437 V C 2.381 178.454 176.094 -0.035 0.000 1.051 437 V CA 1.998 64.263 62.300 -0.058 0.000 1.018 437 V CB -0.673 31.107 31.823 -0.071 0.000 0.641 437 V HN 0.249 nan 8.190 nan 0.000 0.445 438 S N -0.280 115.408 115.700 -0.020 0.000 2.374 438 S HA -0.302 4.168 4.470 0.001 0.000 0.227 438 S C 2.029 176.625 174.600 -0.008 0.000 1.037 438 S CA 2.074 60.271 58.200 -0.004 0.000 1.024 438 S CB -0.328 62.877 63.200 0.007 0.000 0.861 438 S HN 0.753 nan 8.310 nan 0.000 0.456 439 E N 0.952 121.143 120.200 -0.016 0.000 2.158 439 E HA -0.025 4.325 4.350 0.001 0.000 0.191 439 E C 1.799 178.391 176.600 -0.014 0.000 0.982 439 E CA 0.643 57.034 56.400 -0.015 0.000 0.823 439 E CB -0.184 29.504 29.700 -0.020 0.000 0.766 439 E HN 0.259 nan 8.360 nan 0.000 0.468 440 V N 0.735 120.638 119.914 -0.019 0.000 2.358 440 V HA -0.217 3.904 4.120 0.001 0.000 0.246 440 V C 2.303 178.388 176.094 -0.015 0.000 1.047 440 V CA 1.709 63.997 62.300 -0.019 0.000 1.035 440 V CB -0.410 31.396 31.823 -0.028 0.000 0.658 440 V HN 0.321 nan 8.190 nan 0.000 0.452 441 I N -0.349 120.212 120.570 -0.016 0.000 2.226 441 I HA -0.226 3.944 4.170 0.001 0.000 0.245 441 I C 2.743 178.859 176.117 -0.001 0.000 1.100 441 I CA 1.592 62.886 61.300 -0.010 0.000 1.374 441 I CB -0.451 37.543 38.000 -0.009 0.000 1.057 441 I HN 0.196 nan 8.210 nan 0.000 0.413 442 R N 0.380 120.881 120.500 0.002 0.000 2.081 442 R HA -0.194 4.147 4.340 0.001 0.000 0.235 442 R C 2.476 178.778 176.300 0.002 0.000 1.131 442 R CA 1.954 58.057 56.100 0.006 0.000 0.960 442 R CB -0.283 30.021 30.300 0.006 0.000 0.856 442 R HN 0.218 nan 8.270 nan 0.000 0.436 443 S N 0.438 116.137 115.700 -0.002 0.000 2.368 443 S HA -0.056 4.414 4.470 0.001 0.000 0.225 443 S C 1.964 176.562 174.600 -0.003 0.000 1.030 443 S CA 1.090 59.288 58.200 -0.003 0.000 0.999 443 S CB -0.112 63.084 63.200 -0.005 0.000 0.844 443 S HN 0.352 nan 8.310 nan 0.000 0.459 444 L N 1.172 122.392 121.223 -0.005 0.000 2.217 444 L HA 0.080 4.420 4.340 0.001 0.000 0.211 444 L C 1.428 178.295 176.870 -0.004 0.000 1.107 444 L CA 0.343 55.180 54.840 -0.006 0.000 0.783 444 L CB -0.475 41.579 42.059 -0.008 0.000 0.919 444 L HN 0.241 nan 8.230 nan 0.000 0.442 445 S N 0.213 115.912 115.700 -0.001 0.000 2.531 445 S HA 0.123 4.593 4.470 0.001 0.000 0.279 445 S C -1.357 173.242 174.600 -0.001 0.000 1.305 445 S CA -1.203 56.997 58.200 -0.000 0.000 1.058 445 S CB 0.997 64.200 63.200 0.006 0.000 0.899 445 S HN -0.059 nan 8.310 nan 0.000 0.493 446 P HA 0.028 nan 4.420 nan 0.000 0.221 446 P C 0.279 177.577 177.300 -0.004 0.000 1.150 446 P CA 0.805 63.902 63.100 -0.006 0.000 0.800 446 P CB -0.154 31.539 31.700 -0.011 0.000 0.787 447 T N -2.044 112.508 114.554 -0.003 0.000 2.907 447 T HA 0.305 4.656 4.350 0.001 0.000 0.284 447 T C -0.187 174.519 174.700 0.011 0.000 1.004 447 T CA -0.959 61.142 62.100 0.002 0.000 1.063 447 T CB 0.671 69.538 68.868 -0.001 0.000 0.992 447 T HN -0.216 nan 8.240 nan 0.000 0.483 448 D N 2.130 122.538 120.400 0.014 0.000 2.450 448 D HA 0.352 4.992 4.640 0.001 0.000 0.247 448 D C 0.308 176.625 176.300 0.029 0.000 1.162 448 D CA 0.226 54.238 54.000 0.019 0.000 0.879 448 D CB 0.067 40.879 40.800 0.020 0.000 1.163 448 D HN 0.715 nan 8.370 nan 0.000 0.472 449 I N -1.667 118.921 120.570 0.031 0.000 2.894 449 I HA 0.498 4.668 4.170 0.001 0.000 0.302 449 I C -1.054 175.089 176.117 0.043 0.000 1.188 449 I CA -1.120 60.205 61.300 0.042 0.000 1.014 449 I CB 2.680 40.705 38.000 0.043 0.000 1.242 449 I HN -0.158 nan 8.210 nan 0.000 0.430 450 D N 3.832 124.266 120.400 0.057 0.000 2.193 450 D HA 0.602 5.243 4.640 0.001 0.000 0.244 450 D C -0.537 175.804 176.300 0.069 0.000 1.064 450 D CA -0.137 53.898 54.000 0.058 0.000 0.845 450 D CB 2.637 43.478 40.800 0.069 0.000 1.148 450 D HN 0.357 nan 8.370 nan 0.000 0.464 451 V N 1.784 121.734 119.914 0.060 0.000 2.680 451 V HA 0.596 4.717 4.120 0.001 0.000 0.309 451 V C -0.017 176.128 176.094 0.085 0.000 1.052 451 V CA -0.826 61.519 62.300 0.074 0.000 0.908 451 V CB 2.300 34.151 31.823 0.047 0.000 1.001 451 V HN 0.257 nan 8.190 nan 0.000 0.431 452 V N 2.380 122.377 119.914 0.137 0.000 2.686 452 V HA 0.617 4.737 4.120 0.001 0.000 0.306 452 V C -0.323 175.891 176.094 0.200 0.000 1.065 452 V CA -0.310 62.083 62.300 0.155 0.000 0.894 452 V CB 2.547 34.471 31.823 0.167 0.000 1.004 452 V HN 0.987 nan 8.190 nan 0.000 0.424 453 T N 6.167 120.801 114.554 0.133 0.000 2.841 453 T HA 0.756 5.107 4.350 0.001 0.000 0.285 453 T C -0.658 174.111 174.700 0.115 0.000 0.991 453 T CA -0.350 61.810 62.100 0.101 0.000 0.966 453 T CB 1.126 70.010 68.868 0.028 0.000 0.962 453 T HN 0.360 nan 8.240 nan 0.000 0.438 454 L N 2.486 123.797 121.223 0.147 0.000 2.333 454 L HA 0.659 4.999 4.340 0.001 0.000 0.263 454 L C -1.060 175.879 176.870 0.114 0.000 1.014 454 L CA -1.330 53.597 54.840 0.145 0.000 0.820 454 L CB 2.197 44.389 42.059 0.221 0.000 1.352 454 L HN 0.415 nan 8.230 nan 0.000 0.421 455 L N 2.733 124.011 121.223 0.091 0.000 2.264 455 L HA 0.536 4.876 4.340 0.001 0.000 0.287 455 L C -0.801 176.123 176.870 0.090 0.000 1.039 455 L CA 0.243 55.131 54.840 0.079 0.000 0.829 455 L CB 0.410 42.496 42.059 0.044 0.000 1.211 455 L HN 0.385 nan 8.230 nan 0.000 0.427 466 L N 3.301 124.631 121.223 0.178 0.000 2.301 466 L HA 0.866 5.206 4.340 0.001 0.000 0.278 466 L C -1.517 175.352 176.870 -0.001 0.000 1.022 466 L CA -0.295 54.580 54.840 0.058 0.000 0.854 466 L CB 0.870 42.930 42.059 0.002 0.000 1.226 466 L HN 0.388 nan 8.230 nan 0.000 0.429 467 V N 3.264 123.174 119.914 -0.006 0.000 2.628 467 V HA 0.595 4.716 4.120 0.001 0.000 0.306 467 V C -0.015 175.928 176.094 -0.252 0.000 1.045 467 V CA -0.511 61.705 62.300 -0.140 0.000 0.905 467 V CB 2.123 33.835 31.823 -0.184 0.000 0.997 467 V HN 0.747 nan 8.190 nan 0.000 0.436 468 S N 3.344 118.854 115.700 -0.316 0.000 2.454 468 S HA 0.749 5.219 4.470 0.001 0.000 0.306 468 S C -1.031 173.354 174.600 -0.357 0.000 1.100 468 S CA -0.285 57.781 58.200 -0.223 0.000 1.087 468 S CB 0.737 63.879 63.200 -0.096 0.000 1.019 468 S HN 0.428 nan 8.310 nan 0.000 0.480 469 F N 2.032 122.000 119.950 0.030 0.000 2.458 469 F HA 0.576 5.104 4.527 0.001 0.000 0.336 469 F C 0.004 175.816 175.800 0.020 0.000 1.114 469 F CA -0.759 57.254 58.000 0.021 0.000 0.987 469 F CB 1.463 40.468 39.000 0.009 0.000 1.130 469 F HN 0.154 nan 8.300 nan 0.000 0.458 470 V N 3.118 123.143 119.914 0.184 0.000 2.487 470 V HA 0.842 4.962 4.120 0.001 0.000 0.298 470 V C -0.480 175.683 176.094 0.115 0.000 1.028 470 V CA -0.649 61.723 62.300 0.120 0.000 0.860 470 V CB 1.530 33.400 31.823 0.079 0.000 0.991 470 V HN 0.908 nan 8.190 nan 0.000 0.427 471 A N 3.301 126.183 122.820 0.103 0.000 2.413 471 A HA 0.800 5.120 4.320 0.001 0.000 0.307 471 A C -0.024 177.615 177.584 0.091 0.000 1.087 471 A CA -0.538 51.560 52.037 0.102 0.000 0.750 471 A CB 1.806 20.873 19.000 0.113 0.000 1.296 471 A HN 0.843 nan 8.150 nan 0.000 0.423 472 S N 1.214 116.970 115.700 0.094 0.000 2.525 472 S HA 0.226 4.697 4.470 0.001 0.000 0.285 472 S C 0.531 175.175 174.600 0.073 0.000 1.283 472 S CA -0.114 58.133 58.200 0.077 0.000 1.072 472 S CB -0.252 62.996 63.200 0.079 0.000 0.867 472 S HN 0.792 nan 8.310 nan 0.000 0.492 473 S N 4.002 119.736 115.700 0.057 0.000 2.596 473 S HA 0.377 4.847 4.470 0.001 0.000 0.298 473 S C 1.417 176.046 174.600 0.049 0.000 1.255 473 S CA 0.631 58.862 58.200 0.051 0.000 1.083 473 S CB 0.033 63.256 63.200 0.038 0.000 0.837 473 S HN 1.570 nan 8.310 nan 0.000 0.499 474 G N 2.269 111.100 108.800 0.052 0.000 2.143 474 G HA2 -0.187 3.774 3.960 0.001 0.000 0.249 474 G HA3 -0.187 3.774 3.960 0.001 0.000 0.249 474 G C 0.207 175.133 174.900 0.044 0.000 0.981 474 G CA -0.155 44.970 45.100 0.042 0.000 0.665 474 G HN 1.281 nan 8.290 nan 0.000 0.528 475 A N 0.426 123.288 122.820 0.069 0.000 2.526 475 A HA 0.664 4.984 4.320 0.001 0.000 0.267 475 A C 1.346 178.952 177.584 0.037 0.000 1.095 475 A CA 1.133 53.219 52.037 0.082 0.000 0.775 475 A CB -0.206 18.883 19.000 0.148 0.000 1.036 475 A HN 2.234 nan 8.150 nan 0.000 0.510 476 A N 2.827 125.638 122.820 -0.016 0.000 2.600 476 A HA 0.227 4.547 4.320 0.001 0.000 0.244 476 A C 0.769 178.179 177.584 -0.290 0.000 1.016 476 A CA 0.353 52.327 52.037 -0.106 0.000 0.778 476 A CB -0.221 18.725 19.000 -0.090 0.000 0.920 476 A HN 1.456 nan 8.150 nan 0.000 0.513 477 V N 5.193 124.865 119.914 -0.403 0.000 3.102 477 V HA 0.031 4.151 4.120 0.001 0.000 0.371 477 V C 1.040 176.615 176.094 -0.866 0.000 1.414 477 V CA 0.576 62.323 62.300 -0.922 0.000 1.565 477 V CB -1.674 29.870 31.823 -0.465 0.000 1.273 477 V HN 0.690 nan 8.190 nan 0.000 0.478 478 R N 1.795 121.912 120.500 -0.638 0.000 2.207 478 R HA 0.602 4.943 4.340 0.001 0.000 0.334 478 R C 0.748 176.898 176.300 -0.250 0.000 1.013 478 R CA 0.571 56.464 56.100 -0.345 0.000 0.858 478 R CB 1.319 31.520 30.300 -0.166 0.000 1.094 478 R HN 0.642 nan 8.270 nan 0.000 0.457 479 G N 2.199 110.933 108.800 -0.109 0.000 2.306 479 G HA2 -0.194 3.767 3.960 0.001 0.000 0.262 479 G HA3 -0.194 3.767 3.960 0.001 0.000 0.262 479 G C -0.968 174.079 174.900 0.245 0.000 1.263 479 G CA -0.646 44.508 45.100 0.091 0.000 1.088 479 G HN 0.638 nan 8.290 nan 0.000 0.489 480 E N -0.582 119.741 120.200 0.206 0.000 2.349 480 E HA 0.563 4.914 4.350 0.001 0.000 0.262 480 E C -0.775 175.905 176.600 0.133 0.000 1.088 480 E CA -0.749 55.741 56.400 0.151 0.000 0.899 480 E CB 1.799 31.536 29.700 0.063 0.000 1.044 480 E HN 0.888 nan 8.360 nan 0.000 0.420 481 L N 2.714 123.893 121.223 -0.073 0.000 2.335 481 L HA 0.376 4.717 4.340 0.001 0.000 0.268 481 L C -0.305 176.438 176.870 -0.212 0.000 1.037 481 L CA -0.138 54.480 54.840 -0.369 0.000 0.895 481 L CB 0.480 42.259 42.059 -0.467 0.000 1.266 481 L HN 0.641 nan 8.230 nan 0.000 0.439 488 Y N 3.072 123.373 120.300 0.001 0.000 2.832 488 Y HA 0.475 5.025 4.550 0.000 0.000 0.372 488 Y C 0.547 176.448 175.900 0.002 0.000 1.238 488 Y CA -0.407 57.695 58.100 0.003 0.000 1.713 488 Y CB 0.187 38.652 38.460 0.008 0.000 1.809 488 Y HN -0.053 nan 8.280 nan 0.000 0.472 489 K N 1.232 121.701 120.400 0.116 0.000 2.911 489 K HA -0.003 4.317 4.320 0.001 0.000 0.239 489 K C 1.182 177.823 176.600 0.069 0.000 1.090 489 K CA 0.133 56.464 56.287 0.072 0.000 1.225 489 K CB 0.402 32.919 32.500 0.029 0.000 1.087 489 K HN 0.510 nan 8.250 nan 0.000 0.464 490 E N 0.925 121.177 120.200 0.087 0.000 2.228 490 E HA -0.054 4.297 4.350 0.001 0.000 0.197 490 E C 1.786 178.409 176.600 0.038 0.000 0.909 490 E CA 0.308 56.740 56.400 0.053 0.000 0.911 490 E CB 0.116 29.844 29.700 0.047 0.000 0.887 490 E HN 0.266 nan 8.360 nan 0.000 0.481 491 I N 2.084 122.682 120.570 0.045 0.000 2.300 491 I HA -0.295 3.875 4.170 0.001 0.000 0.252 491 I C 2.005 178.141 176.117 0.031 0.000 1.119 491 I CA 1.971 63.288 61.300 0.028 0.000 1.384 491 I CB -0.957 37.068 38.000 0.043 0.000 1.062 491 I HN 0.034 nan 8.210 nan 0.000 0.426 492 N N 2.013 120.740 118.700 0.045 0.000 2.013 492 N HA -0.304 4.436 4.740 0.001 0.000 0.195 492 N C 1.646 177.166 175.510 0.018 0.000 1.051 492 N CA 2.318 55.388 53.050 0.034 0.000 0.851 492 N CB -0.680 37.836 38.487 0.049 0.000 1.044 492 N HN 0.490 nan 8.380 nan 0.000 0.422 493 N N 0.749 119.460 118.700 0.020 0.000 2.058 493 N HA -0.167 4.573 4.740 0.001 0.000 0.200 493 N C 1.860 177.370 175.510 0.000 0.000 1.033 493 N CA 1.966 55.021 53.050 0.008 0.000 0.880 493 N CB -0.965 37.528 38.487 0.010 0.000 1.069 493 N HN 0.315 nan 8.380 nan 0.000 0.461 494 S N 0.671 116.371 115.700 0.001 0.000 2.378 494 S HA -0.144 4.326 4.470 0.001 0.000 0.229 494 S C 1.969 176.565 174.600 -0.007 0.000 1.052 494 S CA 1.233 59.430 58.200 -0.005 0.000 1.084 494 S CB -0.352 62.843 63.200 -0.008 0.000 0.950 494 S HN 0.335 nan 8.310 nan 0.000 0.440 495 L N -0.014 121.206 121.223 -0.005 0.000 2.567 495 L HA 0.208 4.548 4.340 0.001 0.000 0.225 495 L C 2.490 179.350 176.870 -0.018 0.000 1.119 495 L CA 0.101 54.935 54.840 -0.010 0.000 0.871 495 L CB -0.209 41.847 42.059 -0.005 0.000 1.036 495 L HN 0.090 nan 8.230 nan 0.000 0.459 496 R N 0.273 120.762 120.500 -0.017 0.000 2.075 496 R HA -0.037 4.303 4.340 0.001 0.000 0.226 496 R C 2.015 178.299 176.300 -0.026 0.000 1.114 496 R CA 1.137 57.220 56.100 -0.029 0.000 0.972 496 R CB -0.041 30.242 30.300 -0.027 0.000 0.869 496 R HN 0.449 nan 8.270 nan 0.000 0.437 497 Q N -0.070 119.720 119.800 -0.018 0.000 1.984 497 Q HA 0.057 4.397 4.340 0.001 0.000 0.196 497 Q C 2.142 178.134 176.000 -0.015 0.000 0.975 497 Q CA 1.373 57.167 55.803 -0.015 0.000 0.827 497 Q CB -0.279 28.452 28.738 -0.011 0.000 0.894 497 Q HN 0.277 nan 8.270 nan 0.000 0.438 498 A N 0.294 123.107 122.820 -0.013 0.000 2.054 498 A HA -0.294 4.026 4.320 0.001 0.000 0.223 498 A C 2.270 179.845 177.584 -0.015 0.000 1.169 498 A CA 1.797 53.827 52.037 -0.012 0.000 0.655 498 A CB -1.269 17.724 19.000 -0.011 0.000 0.812 498 A HN 0.621 nan 8.150 nan 0.000 0.462 499 C N -1.174 118.114 119.300 -0.020 0.000 2.505 499 C HA 0.103 4.563 4.460 0.001 0.000 0.279 499 C C 2.391 177.364 174.990 -0.028 0.000 1.316 499 C CA 1.113 60.116 59.018 -0.026 0.000 1.720 499 C CB -1.030 26.689 27.740 -0.034 0.000 2.050 499 C HN 0.699 nan 8.230 nan 0.000 0.493 500 E N 0.031 120.216 120.200 -0.026 0.000 2.204 500 E HA -0.225 4.126 4.350 0.001 0.000 0.195 500 E C 2.296 178.888 176.600 -0.013 0.000 0.990 500 E CA 1.241 57.627 56.400 -0.023 0.000 0.821 500 E CB -0.008 29.679 29.700 -0.021 0.000 0.750 500 E HN 0.743 nan 8.360 nan 0.000 0.477 501 Q N -0.663 119.130 119.800 -0.011 0.000 2.096 501 Q HA -0.064 4.276 4.340 0.001 0.000 0.197 501 Q C 1.514 177.512 176.000 -0.005 0.000 0.964 501 Q CA 1.544 57.343 55.803 -0.006 0.000 0.838 501 Q CB 0.163 28.898 28.738 -0.006 0.000 0.906 501 Q HN 0.222 nan 8.270 nan 0.000 0.444 502 T N -1.280 113.268 114.554 -0.009 0.000 3.287 502 T HA 0.520 4.871 4.350 0.001 0.000 0.253 502 T C -0.010 174.682 174.700 -0.013 0.000 0.975 502 T CA -0.101 61.994 62.100 -0.008 0.000 0.912 502 T CB -0.222 68.640 68.868 -0.010 0.000 1.071 502 T HN -0.028 nan 8.240 nan 0.000 0.578 503 L N 0.567 121.783 121.223 -0.012 0.000 2.549 503 L HA 0.430 4.770 4.340 0.001 0.000 0.259 503 L C -2.719 174.151 176.870 0.000 0.000 0.934 503 L CA -2.345 52.482 54.840 -0.022 0.000 0.865 503 L CB 2.751 44.778 42.059 -0.053 0.000 1.352 503 L HN -0.033 nan 8.230 nan 0.000 0.410 504 P HA 0.072 nan 4.420 nan 0.000 0.263 504 P C 0.378 177.742 177.300 0.107 0.000 1.195 504 P CA -0.013 63.168 63.100 0.136 0.000 0.762 504 P CB 1.070 32.971 31.700 0.336 0.000 0.799 505 A N 3.915 126.811 122.820 0.127 0.000 2.042 505 A HA -0.184 4.137 4.320 0.001 0.000 0.222 505 A C 0.968 178.604 177.584 0.086 0.000 1.167 505 A CA 1.310 53.391 52.037 0.073 0.000 0.649 505 A CB -1.416 17.622 19.000 0.064 0.000 0.809 505 A HN 0.688 nan 8.150 nan 0.000 0.457 509 P HA 0.193 nan 4.420 nan 0.000 0.267 509 P C 0.146 177.307 177.300 -0.232 0.000 1.200 509 P CA 0.063 63.076 63.100 -0.144 0.000 0.772 509 P CB 0.670 32.295 31.700 -0.124 0.000 0.855 510 D N 1.225 121.421 120.400 -0.341 0.000 2.087 510 D HA -0.085 4.556 4.640 0.001 0.000 0.192 510 D C 0.396 176.102 176.300 -0.990 0.000 0.993 510 D CA 1.793 55.334 54.000 -0.766 0.000 0.828 510 D CB -0.353 39.808 40.800 -1.065 0.000 0.968 510 D HN 0.365 nan 8.370 nan 0.000 0.448 511 F N -0.826 119.037 119.950 -0.144 0.000 2.563 511 F HA 0.479 5.007 4.527 0.001 0.000 0.316 511 F C 0.047 175.741 175.800 -0.177 0.000 1.076 511 F CA -0.937 56.970 58.000 -0.154 0.000 0.921 511 F CB 1.797 40.689 39.000 -0.180 0.000 1.209 511 F HN -0.316 nan 8.300 nan 0.000 0.462 512 I N 4.067 124.661 120.570 0.040 0.000 2.479 512 I HA 0.301 4.472 4.170 0.001 0.000 0.279 512 I C -0.747 175.362 176.117 -0.014 0.000 1.102 512 I CA -0.166 61.118 61.300 -0.027 0.000 1.196 512 I CB 0.226 38.217 38.000 -0.015 0.000 1.427 512 I HN 0.451 nan 8.210 nan 0.000 0.503 513 I N 7.636 128.159 120.570 -0.079 0.000 2.379 513 I HA 0.220 4.390 4.170 0.001 0.000 0.290 513 I C -2.145 174.011 176.117 0.064 0.000 1.063 513 I CA -1.703 59.580 61.300 -0.027 0.000 1.351 513 I CB 0.599 38.550 38.000 -0.082 0.000 1.410 513 I HN 0.188 nan 8.210 nan 0.000 0.505 514 P HA 0.390 nan 4.420 nan 0.000 0.284 514 P C -0.767 176.585 177.300 0.085 0.000 1.253 514 P CA -0.253 62.907 63.100 0.100 0.000 0.800 514 P CB 0.926 32.697 31.700 0.117 0.000 0.961 515 I N -1.698 118.918 120.570 0.077 0.000 3.095 515 I HA 0.435 4.605 4.170 0.001 0.000 0.310 515 I C 0.956 177.066 176.117 -0.011 0.000 1.196 515 I CA -1.000 60.304 61.300 0.006 0.000 0.985 515 I CB 2.076 40.057 38.000 -0.031 0.000 1.250 515 I HN 0.203 nan 8.210 nan 0.000 0.446 516 S N 2.413 118.072 115.700 -0.068 0.000 2.400 516 S HA 0.018 4.489 4.470 0.001 0.000 0.232 516 S C 0.273 174.992 174.600 0.199 0.000 1.025 516 S CA 1.033 59.268 58.200 0.059 0.000 0.993 516 S CB -0.753 62.516 63.200 0.114 0.000 0.808 516 S HN 0.837 nan 8.310 nan 0.000 0.478 517 F N -1.833 118.128 119.950 0.020 0.000 2.807 517 F HA 0.627 5.155 4.527 0.001 0.000 0.316 517 F C -1.621 174.183 175.800 0.005 0.000 1.162 517 F CA -1.922 56.089 58.000 0.018 0.000 0.910 517 F CB 0.531 39.538 39.000 0.011 0.000 1.314 517 F HN -0.225 nan 8.300 nan 0.000 0.454 518 I N 3.212 123.930 120.570 0.247 0.000 2.322 518 I HA 0.309 4.479 4.170 0.001 0.000 0.292 518 I C -2.267 174.015 176.117 0.274 0.000 1.060 518 I CA -2.685 58.698 61.300 0.138 0.000 1.309 518 I CB -0.036 38.032 38.000 0.115 0.000 1.415 518 I HN 0.344 nan 8.210 nan 0.000 0.492 519 P HA 0.271 nan 4.420 nan 0.000 0.271 519 P C -0.592 176.793 177.300 0.142 0.000 1.218 519 P CA -0.142 63.108 63.100 0.250 0.000 0.780 519 P CB 0.990 32.750 31.700 0.099 0.000 0.901 520 L N 2.277 123.577 121.223 0.128 0.000 2.322 520 L HA 0.522 4.862 4.340 0.001 0.000 0.269 520 L C 1.040 177.946 176.870 0.060 0.000 1.012 520 L CA -1.376 53.514 54.840 0.084 0.000 0.815 520 L CB 1.163 43.264 42.059 0.070 0.000 1.295 520 L HN 0.225 nan 8.230 nan 0.000 0.438 521 R N 0.658 121.189 120.500 0.051 0.000 2.679 521 R HA 0.053 4.393 4.340 0.001 0.000 0.269 521 R C 0.273 176.584 176.300 0.019 0.000 1.076 521 R CA -0.393 55.728 56.100 0.034 0.000 1.160 521 R CB 0.374 30.695 30.300 0.036 0.000 1.054 521 R HN 0.555 nan 8.270 nan 0.000 0.507 522 D N 0.362 120.768 120.400 0.011 0.000 2.144 522 D HA -0.100 4.541 4.640 0.001 0.000 0.200 522 D C 1.024 177.317 176.300 -0.011 0.000 0.978 522 D CA 1.793 55.792 54.000 -0.001 0.000 0.833 522 D CB 0.121 40.920 40.800 -0.001 0.000 0.961 522 D HN 0.630 nan 8.370 nan 0.000 0.470 523 T N -2.179 112.368 114.554 -0.012 0.000 3.293 523 T HA 0.440 4.791 4.350 0.001 0.000 0.276 523 T C 0.150 174.824 174.700 -0.044 0.000 1.003 523 T CA -0.365 61.717 62.100 -0.031 0.000 0.916 523 T CB -0.134 68.718 68.868 -0.028 0.000 1.134 523 T HN 0.086 nan 8.240 nan 0.000 0.530 524 S N -0.634 115.047 115.700 -0.033 0.000 2.656 524 S HA 0.636 5.106 4.470 0.001 0.000 0.265 524 S C 0.030 174.619 174.600 -0.019 0.000 1.110 524 S CA -0.397 57.777 58.200 -0.044 0.000 0.821 524 S CB 0.699 63.887 63.200 -0.020 0.000 1.099 524 S HN 0.626 nan 8.310 nan 0.000 0.471 525 A N 0.324 123.120 122.820 -0.040 0.000 2.423 525 A HA 0.405 4.725 4.320 0.001 0.000 0.246 525 A C 0.525 178.246 177.584 0.228 0.000 1.278 525 A CA -0.303 51.757 52.037 0.038 0.000 0.903 525 A CB -0.427 18.515 19.000 -0.097 0.000 0.997 525 A HN 0.627 nan 8.150 nan 0.000 0.510 526 K N 0.818 121.334 120.400 0.195 0.000 2.319 526 K HA 0.240 4.560 4.320 0.001 0.000 0.265 526 K C -0.119 176.568 176.600 0.145 0.000 1.000 526 K CA 0.087 56.503 56.287 0.215 0.000 0.943 526 K CB 0.348 32.940 32.500 0.152 0.000 0.950 526 K HN 0.176 nan 8.250 nan 0.000 0.485 527 T N 1.638 116.265 114.554 0.123 0.000 2.940 527 T HA -0.064 4.287 4.350 0.001 0.000 0.309 527 T C 0.163 174.899 174.700 0.060 0.000 1.056 527 T CA 0.024 62.173 62.100 0.082 0.000 1.137 527 T CB 0.306 69.211 68.868 0.063 0.000 0.976 527 T HN 0.427 nan 8.240 nan 0.000 0.547 528 D N 1.814 122.240 120.400 0.042 0.000 2.558 528 D HA 0.353 4.994 4.640 0.001 0.000 0.221 528 D C 1.196 177.489 176.300 -0.011 0.000 1.143 528 D CA -0.444 53.569 54.000 0.022 0.000 1.010 528 D CB 0.021 40.836 40.800 0.024 0.000 1.068 528 D HN 0.549 nan 8.370 nan 0.000 0.511 529 A N 4.259 127.082 122.820 0.004 0.000 1.873 529 A HA -0.260 4.060 4.320 0.001 0.000 0.218 529 A C 2.128 179.703 177.584 -0.015 0.000 1.193 529 A CA 1.406 53.439 52.037 -0.005 0.000 0.629 529 A CB -0.271 18.747 19.000 0.029 0.000 0.826 529 A HN 0.527 nan 8.150 nan 0.000 0.447 530 K N -0.695 119.709 120.400 0.008 0.000 2.015 530 K HA -0.282 4.039 4.320 0.001 0.000 0.220 530 K C 2.333 178.938 176.600 0.008 0.000 1.055 530 K CA 1.657 57.956 56.287 0.020 0.000 0.951 530 K CB -0.583 31.930 32.500 0.021 0.000 0.725 530 K HN 0.486 nan 8.250 nan 0.000 0.449 531 A N 1.401 124.204 122.820 -0.030 0.000 1.909 531 A HA -0.254 4.066 4.320 0.001 0.000 0.221 531 A C 2.215 179.738 177.584 -0.102 0.000 1.223 531 A CA 2.000 53.996 52.037 -0.068 0.000 0.658 531 A CB -0.972 17.980 19.000 -0.080 0.000 0.831 531 A HN 0.271 nan 8.150 nan 0.000 0.462 532 L N -1.139 119.966 121.223 -0.195 0.000 2.056 532 L HA -0.186 4.154 4.340 0.001 0.000 0.207 532 L C 2.627 179.388 176.870 -0.182 0.000 1.078 532 L CA 1.578 56.166 54.840 -0.418 0.000 0.749 532 L CB -0.663 41.006 42.059 -0.651 0.000 0.901 532 L HN 0.472 nan 8.230 nan 0.000 0.433 533 E N -1.086 119.100 120.200 -0.024 0.000 2.219 533 E HA -0.207 4.143 4.350 0.001 0.000 0.198 533 E C 1.020 177.672 176.600 0.086 0.000 0.998 533 E CA 0.487 56.932 56.400 0.076 0.000 0.818 533 E CB -0.171 29.573 29.700 0.075 0.000 0.741 533 E HN 0.458 nan 8.360 nan 0.000 0.477 536 F N 0.000 119.936 119.950 -0.024 0.000 2.286 536 F HA 0.000 4.527 4.527 0.001 0.000 0.279 536 F CA 0.000 nan 58.000 nan 0.000 1.383 536 F CB 0.000 nan 39.000 nan 0.000 1.145 536 F HN 0.000 nan 8.300 nan 0.000 0.574