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 3h8i_1_B DATA FIRST_RESID 2 DATA SEQUENCE TKVLVLGGRF GALTAAYTLK RLVGSKADVK VINKSRFSYF RPALPHVAIG DATA SEQUENCE VRDVDELKVD LSEALPEKGI QFQEGTVEKI DAKSSMVYYT KPDGSMAEEE DATA SEQUENCE YDYVIVGIGA HLATELVKGW DKYGYSVCEP EFATKLREKL ESFQGGNIAI DATA SEQUENCE GSGPFYQGHN PKPKVPENFV PNADSACEGP VFEMSLMLHG YFKKKGMLDK DATA SEQUENCE VHVTVFSPGE YLSDLSPNSR KAVASIYNQL GIKLVHNFKI KEIREHEIVD DATA SEQUENCE EKGNTIPADI TILLPPYTGN PALKNSTPDL VDDGGFIPTD LNMVSIKYDN DATA SEQUENCE VYAVGDANSM TVPKLGYLAV MTGRIAAQHL ANRLGVPTKV DKYYPTIVCV DATA SEQUENCE ADNPYE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.767 174.700 0.112 0.000 1.109 2 T CA 0.000 62.170 62.100 0.117 0.000 1.349 2 T CB 0.000 68.973 68.868 0.174 0.000 0.612 3 K N 2.964 123.435 120.400 0.120 0.000 2.339 3 K HA 0.692 5.013 4.320 0.001 0.000 0.264 3 K C -1.098 175.605 176.600 0.172 0.000 0.986 3 K CA -0.615 55.739 56.287 0.112 0.000 0.866 3 K CB 0.991 33.541 32.500 0.082 0.000 1.103 3 K HN 0.407 nan 8.250 nan 0.000 0.441 4 V N 6.383 126.382 119.914 0.142 0.000 2.357 4 V HA 0.343 4.464 4.120 0.001 0.000 0.284 4 V C -0.129 176.006 176.094 0.068 0.000 1.018 4 V CA -0.874 61.514 62.300 0.146 0.000 0.841 4 V CB 1.296 33.180 31.823 0.102 0.000 0.991 4 V HN 0.721 nan 8.190 nan 0.000 0.437 5 L N 5.234 126.486 121.223 0.049 0.000 2.289 5 L HA 0.603 4.944 4.340 0.001 0.000 0.285 5 L C -0.563 176.274 176.870 -0.055 0.000 1.049 5 L CA -0.652 54.181 54.840 -0.012 0.000 0.804 5 L CB 1.888 43.945 42.059 -0.004 0.000 1.195 5 L HN 0.364 nan 8.230 nan 0.000 0.428 6 V N 5.212 125.091 119.914 -0.057 0.000 2.378 6 V HA 0.359 4.480 4.120 0.001 0.000 0.288 6 V C 0.018 176.080 176.094 -0.054 0.000 1.016 6 V CA -0.475 61.794 62.300 -0.052 0.000 0.840 6 V CB 1.659 33.453 31.823 -0.048 0.000 0.994 6 V HN 0.502 nan 8.190 nan 0.000 0.431 7 L N 5.132 126.328 121.223 -0.045 0.000 2.264 7 L HA 0.912 5.253 4.340 0.001 0.000 0.289 7 L C 0.794 177.663 176.870 -0.002 0.000 1.044 7 L CA -0.000 54.815 54.840 -0.041 0.000 0.807 7 L CB 0.933 42.967 42.059 -0.040 0.000 1.192 7 L HN 0.897 nan 8.230 nan 0.000 0.425 8 G N 1.888 110.691 108.800 0.005 0.000 2.497 8 G HA2 0.171 4.132 3.960 0.001 0.000 0.686 8 G HA3 0.171 4.132 3.960 0.001 0.000 0.686 8 G C -0.143 174.788 174.900 0.052 0.000 1.288 8 G CA -0.406 44.716 45.100 0.036 0.000 0.899 8 G HN 0.910 nan 8.290 nan 0.000 0.608 9 G N -0.550 108.283 108.800 0.056 0.000 4.773 9 G HA2 0.573 4.534 3.960 0.001 0.000 0.269 9 G HA3 0.573 4.534 3.960 0.001 0.000 0.269 9 G C 0.463 175.402 174.900 0.066 0.000 0.992 9 G CA 0.466 45.599 45.100 0.056 0.000 0.775 9 G HN 0.629 nan 8.290 nan 0.000 0.471 10 R N -1.113 119.431 120.500 0.074 0.000 3.322 10 R HA 0.532 4.873 4.340 0.001 0.000 0.189 10 R C 0.941 177.300 176.300 0.098 0.000 1.510 10 R CA -0.823 55.316 56.100 0.065 0.000 0.827 10 R CB -0.095 30.154 30.300 -0.086 0.000 1.856 10 R HN 0.020 nan 8.270 nan 0.000 0.497 11 F N 1.172 121.312 119.950 0.315 0.000 2.043 11 F HA -0.197 4.331 4.527 0.001 0.000 0.297 11 F C 2.421 178.314 175.800 0.155 0.000 1.121 11 F CA 1.944 60.079 58.000 0.225 0.000 1.199 11 F CB -0.893 38.224 39.000 0.195 0.000 0.968 11 F HN 0.653 nan 8.300 nan 0.000 0.478 12 G N -0.722 108.266 108.800 0.314 0.000 2.414 12 G HA2 -0.110 3.850 3.960 0.001 0.000 0.215 12 G HA3 -0.110 3.850 3.960 0.001 0.000 0.215 12 G C 1.835 176.819 174.900 0.141 0.000 1.188 12 G CA 0.899 46.121 45.100 0.202 0.000 0.783 12 G HN 0.488 nan 8.290 nan 0.000 0.537 13 A N 0.668 123.560 122.820 0.120 0.000 1.835 13 A HA 0.039 4.359 4.320 0.001 0.000 0.215 13 A C 2.367 179.982 177.584 0.053 0.000 1.199 13 A CA 1.666 53.744 52.037 0.068 0.000 0.615 13 A CB -0.656 18.377 19.000 0.056 0.000 0.838 13 A HN 0.259 nan 8.150 nan 0.000 0.444 14 L N 0.137 121.412 121.223 0.086 0.000 2.042 14 L HA -0.154 4.187 4.340 0.001 0.000 0.210 14 L C 2.743 179.743 176.870 0.215 0.000 1.076 14 L CA 2.432 57.343 54.840 0.119 0.000 0.749 14 L CB -1.760 40.426 42.059 0.212 0.000 0.893 14 L HN 0.423 nan 8.230 nan 0.000 0.432 15 T N -0.314 114.352 114.554 0.186 0.000 2.684 15 T HA -0.199 4.151 4.350 0.001 0.000 0.267 15 T C 1.971 176.746 174.700 0.125 0.000 1.036 15 T CA 1.477 63.681 62.100 0.173 0.000 1.148 15 T CB -0.379 68.586 68.868 0.162 0.000 0.863 15 T HN 0.426 nan 8.240 nan 0.000 0.436 16 A N 1.430 124.296 122.820 0.076 0.000 1.873 16 A HA 0.207 4.528 4.320 0.001 0.000 0.215 16 A C 2.651 180.226 177.584 -0.016 0.000 1.186 16 A CA 1.820 53.867 52.037 0.017 0.000 0.616 16 A CB -1.195 17.801 19.000 -0.006 0.000 0.823 16 A HN 0.502 nan 8.150 nan 0.000 0.442 17 A N -1.004 121.788 122.820 -0.046 0.000 1.851 17 A HA -0.128 4.192 4.320 0.001 0.000 0.216 17 A C 2.116 179.637 177.584 -0.105 0.000 1.195 17 A CA 1.644 53.606 52.037 -0.126 0.000 0.622 17 A CB -1.089 17.761 19.000 -0.251 0.000 0.831 17 A HN 0.606 nan 8.150 nan 0.000 0.444 18 Y N 0.600 120.894 120.300 -0.010 0.000 2.128 18 Y HA -0.218 4.332 4.550 0.001 0.000 0.284 18 Y C 3.059 178.950 175.900 -0.015 0.000 1.154 18 Y CA 1.793 59.884 58.100 -0.015 0.000 1.149 18 Y CB -0.759 37.689 38.460 -0.020 0.000 0.976 18 Y HN 0.306 nan 8.280 nan 0.000 0.505 19 T N 0.391 115.034 114.554 0.148 0.000 2.746 19 T HA -0.195 4.155 4.350 0.001 0.000 0.267 19 T C 1.845 176.562 174.700 0.030 0.000 1.039 19 T CA 1.327 63.472 62.100 0.074 0.000 1.142 19 T CB -0.571 68.331 68.868 0.056 0.000 0.866 19 T HN 0.142 nan 8.240 nan 0.000 0.444 20 L N 1.234 122.457 121.223 0.001 0.000 1.994 20 L HA 0.044 4.384 4.340 0.001 0.000 0.208 20 L C 2.313 179.173 176.870 -0.016 0.000 1.071 20 L CA 1.867 56.686 54.840 -0.034 0.000 0.745 20 L CB -0.619 41.398 42.059 -0.070 0.000 0.892 20 L HN -0.039 nan 8.230 nan 0.000 0.431 21 K N 0.144 120.541 120.400 -0.004 0.000 2.032 21 K HA -0.227 4.094 4.320 0.001 0.000 0.209 21 K C 2.408 179.022 176.600 0.023 0.000 1.048 21 K CA 1.935 58.226 56.287 0.007 0.000 0.927 21 K CB -0.454 32.050 32.500 0.006 0.000 0.712 21 K HN 0.382 nan 8.250 nan 0.000 0.441 22 R N -0.014 120.512 120.500 0.043 0.000 2.120 22 R HA -0.074 4.266 4.340 0.001 0.000 0.234 22 R C 2.034 178.345 176.300 0.018 0.000 1.123 22 R CA 1.378 57.501 56.100 0.037 0.000 0.975 22 R CB -0.211 30.117 30.300 0.047 0.000 0.866 22 R HN 0.244 nan 8.270 nan 0.000 0.446 23 L N 0.377 121.606 121.223 0.010 0.000 2.162 23 L HA -0.034 4.306 4.340 0.001 0.000 0.205 23 L C 2.138 179.004 176.870 -0.006 0.000 1.086 23 L CA 0.753 55.593 54.840 -0.001 0.000 0.778 23 L CB 0.256 42.309 42.059 -0.009 0.000 0.928 23 L HN 0.222 nan 8.230 nan 0.000 0.446 24 V N -4.985 114.924 119.914 -0.009 0.000 3.645 24 V HA 0.492 4.613 4.120 0.001 0.000 0.275 24 V C 1.437 177.531 176.094 0.000 0.000 1.356 24 V CA 0.359 62.654 62.300 -0.009 0.000 1.051 24 V CB -0.173 31.639 31.823 -0.020 0.000 0.828 24 V HN 0.417 nan 8.190 nan 0.000 0.441 25 G N 2.440 111.242 108.800 0.004 0.000 2.672 25 G HA2 -0.474 3.486 3.960 0.001 0.000 0.332 25 G HA3 -0.474 3.486 3.960 0.001 0.000 0.332 25 G C 1.372 176.277 174.900 0.009 0.000 1.213 25 G CA 2.340 47.445 45.100 0.009 0.000 0.980 25 G HN 1.608 nan 8.290 nan 0.000 0.548 26 S N 0.444 116.150 115.700 0.010 0.000 2.527 26 S HA 0.149 4.619 4.470 0.001 0.000 0.222 26 S C 1.730 176.339 174.600 0.015 0.000 0.985 26 S CA 1.418 59.626 58.200 0.012 0.000 0.921 26 S CB 0.069 63.276 63.200 0.012 0.000 0.772 26 S HN 0.671 nan 8.310 nan 0.000 0.529 27 K N 1.663 122.071 120.400 0.014 0.000 2.585 27 K HA 0.229 4.549 4.320 0.001 0.000 0.194 27 K C 0.488 177.104 176.600 0.027 0.000 1.037 27 K CA 0.654 56.952 56.287 0.018 0.000 0.964 27 K CB -0.250 32.256 32.500 0.011 0.000 0.787 27 K HN 0.576 nan 8.250 nan 0.000 0.488 28 A N 0.849 123.684 122.820 0.026 0.000 2.599 28 A HA 0.267 4.587 4.320 0.001 0.000 0.294 28 A C -1.848 175.754 177.584 0.030 0.000 1.055 28 A CA -0.961 51.099 52.037 0.038 0.000 0.683 28 A CB 1.143 20.166 19.000 0.037 0.000 1.278 28 A HN -0.010 nan 8.150 nan 0.000 0.412 29 D N 1.548 121.971 120.400 0.039 0.000 2.329 29 D HA 0.454 5.094 4.640 0.001 0.000 0.232 29 D C -0.621 175.694 176.300 0.025 0.000 1.088 29 D CA 0.137 54.154 54.000 0.027 0.000 0.835 29 D CB 1.766 42.584 40.800 0.029 0.000 1.078 29 D HN 0.224 nan 8.370 nan 0.000 0.495 30 V N 3.438 123.355 119.914 0.004 0.000 2.370 30 V HA 0.300 4.421 4.120 0.001 0.000 0.279 30 V C 0.333 176.414 176.094 -0.022 0.000 1.029 30 V CA -0.579 61.714 62.300 -0.012 0.000 0.870 30 V CB 1.612 33.414 31.823 -0.036 0.000 0.984 30 V HN 0.306 nan 8.190 nan 0.000 0.451 31 K N 3.943 124.329 120.400 -0.023 0.000 2.378 31 K HA 0.742 5.062 4.320 0.001 0.000 0.252 31 K C -1.733 174.833 176.600 -0.057 0.000 0.931 31 K CA -0.544 55.721 56.287 -0.037 0.000 0.794 31 K CB 2.432 34.910 32.500 -0.037 0.000 1.181 31 K HN 0.454 nan 8.250 nan 0.000 0.425 32 V N 5.711 125.596 119.914 -0.049 0.000 2.435 32 V HA 0.463 4.584 4.120 0.001 0.000 0.290 32 V C -0.268 175.736 176.094 -0.150 0.000 1.030 32 V CA -0.747 61.532 62.300 -0.036 0.000 0.881 32 V CB 1.531 33.394 31.823 0.067 0.000 0.983 32 V HN 0.670 nan 8.190 nan 0.000 0.445 33 I N 4.561 125.014 120.570 -0.195 0.000 2.382 33 I HA 0.460 4.631 4.170 0.001 0.000 0.286 33 I C -0.469 175.536 176.117 -0.188 0.000 1.002 33 I CA -0.310 60.774 61.300 -0.361 0.000 1.135 33 I CB 1.679 39.375 38.000 -0.506 0.000 1.288 33 I HN 0.588 nan 8.210 nan 0.000 0.448 34 N N 4.046 122.671 118.700 -0.125 0.000 2.229 34 N HA 0.257 4.998 4.740 0.001 0.000 0.298 34 N C 0.593 176.118 175.510 0.026 0.000 1.114 34 N CA -0.855 52.219 53.050 0.041 0.000 0.776 34 N CB 1.793 40.417 38.487 0.229 0.000 1.501 34 N HN 0.548 nan 8.380 nan 0.000 0.474 35 K N 0.087 120.510 120.400 0.039 0.000 2.442 35 K HA 0.013 4.334 4.320 0.001 0.000 0.198 35 K C -0.161 176.492 176.600 0.088 0.000 1.044 35 K CA 0.689 57.007 56.287 0.051 0.000 0.948 35 K CB -0.162 32.371 32.500 0.054 0.000 0.762 35 K HN 0.409 nan 8.250 nan 0.000 0.472 36 S N -0.794 114.979 115.700 0.122 0.000 2.588 36 S HA 0.295 4.766 4.470 0.001 0.000 0.275 36 S C 0.262 174.947 174.600 0.141 0.000 1.130 36 S CA -1.141 57.144 58.200 0.141 0.000 0.855 36 S CB 2.061 65.357 63.200 0.161 0.000 1.116 36 S HN 0.251 nan 8.310 nan 0.000 0.472 37 R N -0.196 120.321 120.500 0.029 0.000 2.115 37 R HA 0.189 4.529 4.340 0.001 0.000 0.226 37 R C -0.667 175.219 176.300 -0.691 0.000 1.100 37 R CA 0.862 56.776 56.100 -0.311 0.000 0.980 37 R CB -0.112 29.889 30.300 -0.498 0.000 0.875 37 R HN 0.626 nan 8.270 nan 0.000 0.445 38 F N -0.278 119.602 119.950 -0.115 0.000 2.492 38 F HA 0.410 4.937 4.527 0.001 0.000 0.327 38 F C -0.139 175.467 175.800 -0.324 0.000 1.079 38 F CA -0.862 56.962 58.000 -0.292 0.000 0.967 38 F CB 2.214 40.962 39.000 -0.420 0.000 1.169 38 F HN -0.264 nan 8.300 nan 0.000 0.472 39 S N 1.483 117.039 115.700 -0.240 0.000 2.519 39 S HA 0.572 5.043 4.470 0.001 0.000 0.309 39 S C -1.461 172.886 174.600 -0.422 0.000 1.100 39 S CA -0.623 57.423 58.200 -0.258 0.000 1.059 39 S CB 0.522 63.655 63.200 -0.111 0.000 1.008 39 S HN 0.371 nan 8.310 nan 0.000 0.478 40 Y N 1.504 121.638 120.300 -0.277 0.000 2.387 40 Y HA 0.600 5.150 4.550 0.001 0.000 0.336 40 Y C -0.454 175.166 175.900 -0.466 0.000 1.067 40 Y CA -1.133 56.858 58.100 -0.182 0.000 1.114 40 Y CB 0.825 39.238 38.460 -0.078 0.000 1.208 40 Y HN 0.547 nan 8.280 nan 0.000 0.458 41 F N 2.593 122.630 119.950 0.144 0.000 2.676 41 F HA 0.540 5.067 4.527 0.001 0.000 0.371 41 F C 0.320 176.197 175.800 0.129 0.000 1.141 41 F CA -1.000 57.062 58.000 0.104 0.000 1.133 41 F CB 0.813 39.825 39.000 0.020 0.000 1.376 41 F HN 0.415 nan 8.300 nan 0.000 0.491 42 R N 1.421 122.063 120.500 0.237 0.000 2.515 42 R HA 0.628 4.968 4.340 0.001 0.000 0.209 42 R C -2.214 174.188 176.300 0.170 0.000 1.255 42 R CA -1.498 54.706 56.100 0.173 0.000 1.006 42 R CB -0.201 30.167 30.300 0.114 0.000 1.839 42 R HN 0.167 nan 8.270 nan 0.000 0.514 43 P HA 0.273 nan 4.420 nan 0.000 0.301 43 P C -0.648 176.694 177.300 0.069 0.000 1.350 43 P CA -0.242 62.907 63.100 0.082 0.000 0.941 43 P CB 1.814 33.535 31.700 0.035 0.000 1.128 44 A N 3.437 126.296 122.820 0.064 0.000 1.881 44 A HA -0.130 4.191 4.320 0.001 0.000 0.219 44 A C 0.659 178.260 177.584 0.029 0.000 1.215 44 A CA 1.600 53.668 52.037 0.052 0.000 0.648 44 A CB -1.027 17.993 19.000 0.032 0.000 0.832 44 A HN 0.533 nan 8.150 nan 0.000 0.455 45 L N -0.190 121.030 121.223 -0.005 0.000 2.362 45 L HA 0.407 4.748 4.340 0.001 0.000 0.271 45 L C -2.140 174.700 176.870 -0.050 0.000 1.002 45 L CA -2.368 52.460 54.840 -0.020 0.000 0.818 45 L CB 1.940 43.980 42.059 -0.032 0.000 1.298 45 L HN 0.170 nan 8.230 nan 0.000 0.420 46 P HA 0.033 nan 4.420 nan 0.000 0.275 46 P C -0.952 176.336 177.300 -0.020 0.000 1.270 46 P CA -0.188 62.903 63.100 -0.015 0.000 0.791 46 P CB 0.625 32.322 31.700 -0.005 0.000 1.089 47 H N -0.257 118.800 119.070 -0.022 0.000 2.439 47 H HA 0.249 4.806 4.556 0.001 0.000 0.239 47 H C -0.589 174.713 175.328 -0.043 0.000 1.432 47 H CA -0.746 55.288 56.048 -0.023 0.000 1.373 47 H CB -0.680 29.078 29.762 -0.006 0.000 1.463 47 H HN -0.031 nan 8.280 nan 0.000 0.530 48 V N 1.959 121.916 119.914 0.071 0.000 2.415 48 V HA 0.337 4.457 4.120 0.001 0.000 0.252 48 V C 0.971 177.086 176.094 0.034 0.000 1.043 48 V CA -0.279 61.979 62.300 -0.071 0.000 1.149 48 V CB -0.993 30.664 31.823 -0.277 0.000 1.143 48 V HN 0.645 nan 8.190 nan 0.000 0.478 49 A N 5.083 127.920 122.820 0.029 0.000 2.355 49 A HA 0.859 5.179 4.320 0.001 0.000 0.324 49 A C -0.463 177.167 177.584 0.076 0.000 1.117 49 A CA -0.942 51.111 52.037 0.026 0.000 0.785 49 A CB 0.985 19.939 19.000 -0.076 0.000 1.254 49 A HN 0.624 nan 8.150 nan 0.000 0.453 50 I N 2.218 122.812 120.570 0.041 0.000 2.576 50 I HA 0.313 4.483 4.170 0.001 0.000 0.288 50 I C 1.489 177.607 176.117 0.001 0.000 1.126 50 I CA 1.796 63.104 61.300 0.013 0.000 1.362 50 I CB 0.018 37.974 38.000 -0.074 0.000 1.419 50 I HN 1.079 nan 8.210 nan 0.000 0.533 51 G N 4.410 113.222 108.800 0.020 0.000 2.203 51 G HA2 -0.199 3.761 3.960 0.001 0.000 0.263 51 G HA3 -0.199 3.761 3.960 0.001 0.000 0.263 51 G C 0.094 174.992 174.900 -0.003 0.000 1.012 51 G CA 0.276 45.380 45.100 0.006 0.000 0.749 51 G HN 0.523 nan 8.290 nan 0.000 0.512 52 V N 0.233 120.144 119.914 -0.006 0.000 2.385 52 V HA 0.432 4.553 4.120 0.001 0.000 0.277 52 V C 0.404 176.490 176.094 -0.012 0.000 1.012 52 V CA -0.586 61.703 62.300 -0.018 0.000 0.832 52 V CB 1.484 33.283 31.823 -0.040 0.000 1.028 52 V HN 0.475 nan 8.190 nan 0.000 0.436 53 R N 2.706 123.205 120.500 -0.001 0.000 2.287 53 R HA 0.324 4.665 4.340 0.001 0.000 0.327 53 R C -0.513 175.800 176.300 0.021 0.000 1.109 53 R CA -0.454 55.652 56.100 0.010 0.000 1.013 53 R CB 0.550 30.854 30.300 0.007 0.000 1.126 53 R HN 0.641 nan 8.270 nan 0.000 0.503 54 D N 4.623 125.046 120.400 0.040 0.000 2.402 54 D HA 0.078 4.718 4.640 0.001 0.000 0.235 54 D C -0.497 175.840 176.300 0.061 0.000 1.226 54 D CA -0.236 53.797 54.000 0.055 0.000 0.918 54 D CB 0.891 41.743 40.800 0.087 0.000 1.043 54 D HN 0.212 nan 8.370 nan 0.000 0.506 55 V N 3.743 123.684 119.914 0.044 0.000 2.583 55 V HA 0.267 4.388 4.120 0.001 0.000 0.287 55 V C 0.400 176.525 176.094 0.051 0.000 1.051 55 V CA -0.189 62.137 62.300 0.044 0.000 1.010 55 V CB 1.581 33.422 31.823 0.031 0.000 0.988 55 V HN 0.549 nan 8.190 nan 0.000 0.478 56 D N 2.898 123.334 120.400 0.061 0.000 3.250 56 D HA 0.156 4.797 4.640 0.001 0.000 0.252 56 D C -0.354 175.998 176.300 0.088 0.000 1.342 56 D CA -0.417 53.624 54.000 0.068 0.000 0.807 56 D CB 0.637 41.478 40.800 0.068 0.000 1.449 56 D HN 0.790 nan 8.370 nan 0.000 0.610 57 E N 1.368 121.625 120.200 0.095 0.000 2.171 57 E HA 0.490 4.841 4.350 0.001 0.000 0.271 57 E C -1.063 175.627 176.600 0.150 0.000 0.916 57 E CA -1.152 55.329 56.400 0.136 0.000 0.774 57 E CB 1.935 31.718 29.700 0.138 0.000 1.128 57 E HN 0.139 nan 8.360 nan 0.000 0.403 58 L N 3.281 124.620 121.223 0.193 0.000 2.264 58 L HA 0.393 4.734 4.340 0.001 0.000 0.289 58 L C -0.837 176.161 176.870 0.213 0.000 1.044 58 L CA -0.207 54.737 54.840 0.172 0.000 0.807 58 L CB 0.865 43.013 42.059 0.148 0.000 1.192 58 L HN 0.699 nan 8.230 nan 0.000 0.425 59 K N 4.939 125.410 120.400 0.119 0.000 2.367 59 K HA 0.584 4.905 4.320 0.001 0.000 0.263 59 K C -1.617 174.982 176.600 -0.000 0.000 1.000 59 K CA -0.647 55.639 56.287 -0.001 0.000 0.891 59 K CB 1.192 33.686 32.500 -0.010 0.000 1.117 59 K HN 0.547 nan 8.250 nan 0.000 0.443 60 V N 3.378 123.288 119.914 -0.006 0.000 2.427 60 V HA 0.154 4.275 4.120 0.001 0.000 0.286 60 V C -0.282 175.805 176.094 -0.011 0.000 1.034 60 V CA -0.739 61.571 62.300 0.018 0.000 0.893 60 V CB 1.464 33.325 31.823 0.063 0.000 0.982 60 V HN 0.771 nan 8.190 nan 0.000 0.452 61 D N 3.959 124.333 120.400 -0.043 0.000 2.443 61 D HA 0.305 4.945 4.640 0.001 0.000 0.221 61 D C 0.930 176.997 176.300 -0.388 0.000 1.097 61 D CA -0.262 53.586 54.000 -0.252 0.000 0.865 61 D CB 1.278 42.021 40.800 -0.095 0.000 1.034 61 D HN 0.419 nan 8.370 nan 0.000 0.511 62 L N 2.603 123.446 121.223 -0.632 0.000 2.127 62 L HA -0.199 4.141 4.340 0.001 0.000 0.211 62 L C 2.491 178.834 176.870 -0.878 0.000 1.089 62 L CA 1.324 55.669 54.840 -0.825 0.000 0.757 62 L CB -0.548 40.761 42.059 -1.251 0.000 0.899 62 L HN 0.399 nan 8.230 nan 0.000 0.434 63 S N -0.430 114.765 115.700 -0.841 0.000 2.399 63 S HA -0.192 4.279 4.470 0.001 0.000 0.231 63 S C 1.680 176.193 174.600 -0.146 0.000 1.022 63 S CA 1.397 59.409 58.200 -0.313 0.000 0.983 63 S CB -0.147 62.975 63.200 -0.131 0.000 0.803 63 S HN 0.573 nan 8.310 nan 0.000 0.480 64 E N 1.015 121.115 120.200 -0.166 0.000 2.206 64 E HA 0.341 4.691 4.350 0.001 0.000 0.195 64 E C 2.425 178.992 176.600 -0.055 0.000 0.935 64 E CA 0.528 56.883 56.400 -0.075 0.000 0.875 64 E CB -0.293 29.377 29.700 -0.051 0.000 0.841 64 E HN 0.587 nan 8.360 nan 0.000 0.477 65 A N 1.449 124.223 122.820 -0.077 0.000 1.902 65 A HA -0.128 4.192 4.320 0.001 0.000 0.217 65 A C 2.167 179.778 177.584 0.044 0.000 1.181 65 A CA 1.045 53.077 52.037 -0.008 0.000 0.623 65 A CB -0.569 18.430 19.000 -0.001 0.000 0.818 65 A HN 0.094 nan 8.150 nan 0.000 0.443 66 L N -0.765 120.435 121.223 -0.037 0.000 2.023 66 L HA -0.075 4.265 4.340 0.001 0.000 0.205 66 L C -0.502 176.363 176.870 -0.008 0.000 1.073 66 L CA 1.276 56.083 54.840 -0.055 0.000 0.745 66 L CB -1.302 40.690 42.059 -0.112 0.000 0.900 66 L HN 0.200 nan 8.230 nan 0.000 0.435 67 P HA -0.208 nan 4.420 nan 0.000 0.218 67 P C 1.175 178.488 177.300 0.023 0.000 1.148 67 P CA 1.101 64.211 63.100 0.017 0.000 0.822 67 P CB 0.054 31.766 31.700 0.021 0.000 0.784 68 E N -0.080 120.136 120.200 0.028 0.000 2.396 68 E HA -0.181 4.169 4.350 0.001 0.000 0.200 68 E C 1.157 177.790 176.600 0.055 0.000 1.023 68 E CA 1.307 57.728 56.400 0.035 0.000 0.857 68 E CB -0.527 29.192 29.700 0.032 0.000 0.775 68 E HN -0.046 nan 8.360 nan 0.000 0.525 69 K N -1.165 119.282 120.400 0.078 0.000 2.438 69 K HA 0.270 4.591 4.320 0.001 0.000 0.205 69 K C 0.548 177.183 176.600 0.059 0.000 1.033 69 K CA 0.438 56.788 56.287 0.104 0.000 1.089 69 K CB 0.897 33.549 32.500 0.253 0.000 0.857 69 K HN 0.174 nan 8.250 nan 0.000 0.522 70 G N 1.850 110.669 108.800 0.031 0.000 2.137 70 G HA2 -0.236 3.724 3.960 0.001 0.000 0.237 70 G HA3 -0.236 3.724 3.960 0.001 0.000 0.237 70 G C -0.023 174.876 174.900 -0.001 0.000 1.002 70 G CA -0.068 45.042 45.100 0.017 0.000 0.702 70 G HN 0.257 nan 8.290 nan 0.000 0.515 71 I N 0.903 121.463 120.570 -0.017 0.000 2.406 71 I HA 0.342 4.513 4.170 0.001 0.000 0.290 71 I C 0.646 176.757 176.117 -0.009 0.000 0.999 71 I CA -0.896 60.378 61.300 -0.044 0.000 1.124 71 I CB 1.525 39.443 38.000 -0.136 0.000 1.289 71 I HN 0.156 nan 8.210 nan 0.000 0.441 72 Q N 4.721 124.522 119.800 0.003 0.000 2.382 72 Q HA 0.475 4.815 4.340 0.001 0.000 0.229 72 Q C -1.100 174.946 176.000 0.077 0.000 1.006 72 Q CA -0.243 55.577 55.803 0.029 0.000 0.916 72 Q CB 1.463 30.203 28.738 0.003 0.000 1.235 72 Q HN 0.522 nan 8.270 nan 0.000 0.512 73 F N 0.884 120.789 119.950 -0.075 0.000 2.561 73 F HA 0.351 4.878 4.527 0.001 0.000 0.313 73 F C -1.486 174.263 175.800 -0.086 0.000 1.126 73 F CA -0.666 57.278 58.000 -0.094 0.000 0.918 73 F CB 2.037 40.974 39.000 -0.104 0.000 1.199 73 F HN 0.440 nan 8.300 nan 0.000 0.444 74 Q N 4.687 123.810 119.800 -1.128 0.000 2.292 74 Q HA 0.289 4.629 4.340 0.001 0.000 0.270 74 Q C -1.513 173.772 176.000 -1.190 0.000 1.024 74 Q CA -0.515 54.744 55.803 -0.907 0.000 0.768 74 Q CB 1.705 30.169 28.738 -0.455 0.000 1.250 74 Q HN 0.761 nan 8.270 nan 0.000 0.447 75 E N 2.240 121.921 120.200 -0.864 0.000 2.259 75 E HA 0.656 5.006 4.350 0.001 0.000 0.281 75 E C -0.785 175.685 176.600 -0.217 0.000 1.027 75 E CA -0.226 55.912 56.400 -0.437 0.000 0.838 75 E CB 0.574 30.232 29.700 -0.069 0.000 1.066 75 E HN 0.827 nan 8.360 nan 0.000 0.401 76 G N 2.041 110.742 108.800 -0.165 0.000 2.411 76 G HA2 0.156 4.117 3.960 0.001 0.000 0.295 76 G HA3 0.156 4.117 3.960 0.001 0.000 0.295 76 G C -1.191 173.702 174.900 -0.011 0.000 1.542 76 G CA -0.745 44.350 45.100 -0.008 0.000 0.814 76 G HN 0.363 nan 8.290 nan 0.000 0.557 77 T N 1.545 116.161 114.554 0.103 0.000 2.781 77 T HA 0.426 4.777 4.350 0.001 0.000 0.305 77 T C 0.678 175.457 174.700 0.130 0.000 1.001 77 T CA -0.243 61.906 62.100 0.082 0.000 0.950 77 T CB 1.104 70.017 68.868 0.075 0.000 0.955 77 T HN 0.551 nan 8.240 nan 0.000 0.471 78 V N 4.669 124.638 119.914 0.091 0.000 2.617 78 V HA -0.001 4.120 4.120 0.001 0.000 0.304 78 V C 1.304 177.460 176.094 0.103 0.000 1.040 78 V CA 0.565 62.942 62.300 0.129 0.000 1.149 78 V CB 0.403 32.269 31.823 0.071 0.000 0.914 78 V HN 0.834 nan 8.190 nan 0.000 0.487 79 E N 3.651 123.928 120.200 0.128 0.000 2.372 79 E HA 0.151 4.501 4.350 0.001 0.000 0.201 79 E C 0.407 177.022 176.600 0.025 0.000 0.938 79 E CA 0.333 56.770 56.400 0.062 0.000 0.944 79 E CB 0.546 30.281 29.700 0.059 0.000 0.937 79 E HN 0.893 nan 8.360 nan 0.000 0.495 80 K N -0.435 120.008 120.400 0.071 0.000 2.685 80 K HA 0.420 4.740 4.320 0.001 0.000 0.290 80 K C -1.468 175.210 176.600 0.130 0.000 1.018 80 K CA -0.607 55.697 56.287 0.028 0.000 0.860 80 K CB 0.607 33.052 32.500 -0.092 0.000 1.498 80 K HN -0.153 nan 8.250 nan 0.000 0.390 81 I N 1.334 121.959 120.570 0.090 0.000 2.436 81 I HA 0.217 4.388 4.170 0.001 0.000 0.289 81 I C -1.147 175.027 176.117 0.094 0.000 1.010 81 I CA -0.698 60.691 61.300 0.148 0.000 1.098 81 I CB 1.926 39.979 38.000 0.088 0.000 1.266 81 I HN 0.643 nan 8.210 nan 0.000 0.434 82 D N 5.434 125.932 120.400 0.164 0.000 2.485 82 D HA 0.382 5.022 4.640 0.001 0.000 0.221 82 D C 0.864 177.147 176.300 -0.028 0.000 1.112 82 D CA -0.299 53.738 54.000 0.062 0.000 0.911 82 D CB 1.580 42.483 40.800 0.173 0.000 1.019 82 D HN 0.626 nan 8.370 nan 0.000 0.516 83 A N 4.221 126.924 122.820 -0.194 0.000 1.972 83 A HA -0.179 4.141 4.320 0.001 0.000 0.219 83 A C 2.028 179.391 177.584 -0.369 0.000 1.169 83 A CA 1.255 53.032 52.037 -0.434 0.000 0.635 83 A CB -0.157 18.118 19.000 -1.207 0.000 0.810 83 A HN 0.517 nan 8.150 nan 0.000 0.446 84 K N 0.056 120.323 120.400 -0.222 0.000 2.057 84 K HA -0.101 4.219 4.320 0.001 0.000 0.206 84 K C 2.127 178.715 176.600 -0.020 0.000 1.050 84 K CA 1.653 57.938 56.287 -0.003 0.000 0.935 84 K CB -0.106 32.425 32.500 0.052 0.000 0.715 84 K HN 0.639 nan 8.250 nan 0.000 0.439 85 S N -0.715 114.951 115.700 -0.056 0.000 2.556 85 S HA 0.082 4.552 4.470 0.001 0.000 0.216 85 S C 0.273 174.751 174.600 -0.203 0.000 0.970 85 S CA -0.075 58.074 58.200 -0.085 0.000 0.912 85 S CB 0.305 63.480 63.200 -0.042 0.000 0.790 85 S HN 0.108 nan 8.310 nan 0.000 0.504 86 S N 1.447 116.977 115.700 -0.282 0.000 3.706 86 S HA -0.083 4.387 4.470 0.001 0.000 0.363 86 S C -0.259 173.810 174.600 -0.885 0.000 0.999 86 S CA 0.718 58.451 58.200 -0.778 0.000 1.143 86 S CB -1.546 61.153 63.200 -0.837 0.000 0.902 86 S HN 0.593 nan 8.310 nan 0.000 0.476 87 M N 0.878 120.293 119.600 -0.308 0.000 2.456 87 M HA 0.564 5.045 4.480 0.001 0.000 0.324 87 M C -0.117 176.247 176.300 0.107 0.000 1.124 87 M CA -0.659 54.543 55.300 -0.163 0.000 0.959 87 M CB 1.859 34.351 32.600 -0.179 0.000 1.692 87 M HN 0.015 nan 8.290 nan 0.000 0.444 88 V N 3.556 123.535 119.914 0.109 0.000 2.409 88 V HA 0.393 4.513 4.120 0.001 0.000 0.291 88 V C -1.179 174.996 176.094 0.135 0.000 1.020 88 V CA -0.710 61.733 62.300 0.238 0.000 0.848 88 V CB 1.323 33.313 31.823 0.278 0.000 0.990 88 V HN 0.637 nan 8.190 nan 0.000 0.430 89 Y N 5.724 126.098 120.300 0.122 0.000 2.320 89 Y HA 0.678 5.228 4.550 0.001 0.000 0.334 89 Y C -0.044 175.940 175.900 0.141 0.000 1.055 89 Y CA -0.539 57.590 58.100 0.048 0.000 1.143 89 Y CB 1.275 39.735 38.460 0.000 0.000 1.193 89 Y HN 0.724 nan 8.280 nan 0.000 0.477 90 Y N -1.461 118.896 120.300 0.095 0.000 2.581 90 Y HA 0.681 5.231 4.550 0.001 0.000 0.337 90 Y C -1.128 174.786 175.900 0.024 0.000 1.108 90 Y CA -1.475 56.653 58.100 0.046 0.000 1.033 90 Y CB 0.876 39.340 38.460 0.008 0.000 1.318 90 Y HN 0.367 nan 8.280 nan 0.000 0.459 91 T N 3.498 118.163 114.554 0.185 0.000 2.799 91 T HA 0.360 4.711 4.350 0.001 0.000 0.286 91 T C -0.377 174.423 174.700 0.166 0.000 0.973 91 T CA -0.848 61.307 62.100 0.092 0.000 1.035 91 T CB 0.677 69.585 68.868 0.066 0.000 0.932 91 T HN 0.503 nan 8.240 nan 0.000 0.469 92 K N 3.320 123.778 120.400 0.096 0.000 2.098 92 K HA 0.239 4.560 4.320 0.001 0.000 0.244 92 K C -1.568 175.073 176.600 0.067 0.000 1.014 92 K CA -2.078 54.275 56.287 0.111 0.000 0.917 92 K CB 0.396 32.934 32.500 0.064 0.000 1.072 92 K HN 0.185 nan 8.250 nan 0.000 0.477 93 P HA -0.199 nan 4.420 nan 0.000 0.215 93 P C 0.397 177.721 177.300 0.040 0.000 1.153 93 P CA 1.437 64.568 63.100 0.050 0.000 0.853 93 P CB 0.018 31.747 31.700 0.049 0.000 0.788 94 D N -1.625 118.793 120.400 0.031 0.000 2.392 94 D HA -0.018 4.623 4.640 0.001 0.000 0.228 94 D C 1.461 177.770 176.300 0.016 0.000 1.003 94 D CA 1.138 55.151 54.000 0.021 0.000 0.917 94 D CB -1.052 39.756 40.800 0.014 0.000 0.890 94 D HN 0.290 nan 8.370 nan 0.000 0.532 95 G N -0.269 108.543 108.800 0.019 0.000 2.213 95 G HA2 -0.289 3.671 3.960 0.001 0.000 0.236 95 G HA3 -0.289 3.671 3.960 0.001 0.000 0.236 95 G C 0.436 175.336 174.900 -0.000 0.000 0.991 95 G CA 0.381 45.489 45.100 0.013 0.000 0.629 95 G HN 0.908 nan 8.290 nan 0.000 0.517 96 S N -0.224 115.470 115.700 -0.010 0.000 2.579 96 S HA 0.613 5.084 4.470 0.001 0.000 0.275 96 S C 0.250 174.814 174.600 -0.061 0.000 1.345 96 S CA 0.569 58.748 58.200 -0.034 0.000 1.031 96 S CB 1.532 64.707 63.200 -0.042 0.000 0.892 96 S HN 1.199 nan 8.310 nan 0.000 0.529 97 M N 3.116 122.668 119.600 -0.081 0.000 2.047 97 M HA 0.640 5.120 4.480 0.001 0.000 0.342 97 M C -0.296 175.872 176.300 -0.220 0.000 1.058 97 M CA -0.718 54.511 55.300 -0.118 0.000 0.991 97 M CB 0.167 32.740 32.600 -0.045 0.000 1.474 97 M HN 0.906 nan 8.290 nan 0.000 0.419 98 A N 4.166 126.714 122.820 -0.454 0.000 2.264 98 A HA 0.752 5.072 4.320 0.001 0.000 0.304 98 A C -0.705 176.498 177.584 -0.635 0.000 1.100 98 A CA -0.518 51.146 52.037 -0.621 0.000 0.839 98 A CB 0.558 18.964 19.000 -0.990 0.000 1.121 98 A HN 0.821 nan 8.150 nan 0.000 0.496 99 E N 0.749 120.654 120.200 -0.493 0.000 2.317 99 E HA 0.383 4.734 4.350 0.001 0.000 0.270 99 E C -1.293 175.119 176.600 -0.312 0.000 0.899 99 E CA -0.233 55.858 56.400 -0.514 0.000 0.814 99 E CB 0.947 30.255 29.700 -0.653 0.000 1.296 99 E HN 0.683 nan 8.360 nan 0.000 0.404 100 E N 2.651 122.756 120.200 -0.159 0.000 2.244 100 E HA 0.230 4.581 4.350 0.001 0.000 0.266 100 E C -0.879 175.686 176.600 -0.058 0.000 0.914 100 E CA -0.909 55.466 56.400 -0.043 0.000 0.794 100 E CB 1.992 31.762 29.700 0.117 0.000 1.210 100 E HN 0.590 nan 8.360 nan 0.000 0.414 101 E N 1.869 122.027 120.200 -0.069 0.000 2.222 101 E HA 0.366 4.717 4.350 0.001 0.000 0.272 101 E C -1.335 175.241 176.600 -0.040 0.000 0.982 101 E CA -0.676 55.638 56.400 -0.144 0.000 0.842 101 E CB 1.008 30.606 29.700 -0.169 0.000 1.144 101 E HN 0.461 nan 8.360 nan 0.000 0.397 102 Y N -0.342 119.941 120.300 -0.029 0.000 2.581 102 Y HA 0.432 4.983 4.550 0.001 0.000 0.345 102 Y C -0.125 175.740 175.900 -0.060 0.000 1.036 102 Y CA -1.222 56.869 58.100 -0.016 0.000 1.042 102 Y CB 1.310 39.781 38.460 0.018 0.000 1.289 102 Y HN 0.399 nan 8.280 nan 0.000 0.471 103 D N 0.260 120.748 120.400 0.147 0.000 2.216 103 D HA 0.025 4.665 4.640 0.001 0.000 0.208 103 D C -0.700 175.451 176.300 -0.248 0.000 0.960 103 D CA 1.566 55.494 54.000 -0.120 0.000 0.861 103 D CB 0.303 41.034 40.800 -0.115 0.000 0.985 103 D HN 0.463 nan 8.370 nan 0.000 0.493 104 Y N -0.539 119.974 120.300 0.355 0.000 2.534 104 Y HA 0.447 4.998 4.550 0.001 0.000 0.345 104 Y C -0.475 175.418 175.900 -0.013 0.000 1.031 104 Y CA -0.940 57.312 58.100 0.254 0.000 1.022 104 Y CB 2.383 40.970 38.460 0.211 0.000 1.292 104 Y HN -0.380 nan 8.280 nan 0.000 0.459 105 V N 4.627 124.482 119.914 -0.098 0.000 2.709 105 V HA 0.605 4.725 4.120 0.001 0.000 0.308 105 V C -1.206 174.866 176.094 -0.038 0.000 1.062 105 V CA -0.792 61.286 62.300 -0.370 0.000 0.901 105 V CB 1.703 32.861 31.823 -1.109 0.000 1.003 105 V HN 0.683 nan 8.190 nan 0.000 0.425 106 I N 6.984 127.536 120.570 -0.029 0.000 2.390 106 I HA 0.360 4.531 4.170 0.001 0.000 0.283 106 I C -0.437 175.689 176.117 0.014 0.000 1.016 106 I CA -0.809 60.516 61.300 0.042 0.000 1.151 106 I CB 1.793 39.791 38.000 -0.004 0.000 1.293 106 I HN 0.280 nan 8.210 nan 0.000 0.458 107 V N 5.477 125.415 119.914 0.040 0.000 2.405 107 V HA 0.325 4.445 4.120 0.001 0.000 0.264 107 V C 1.066 177.198 176.094 0.063 0.000 1.048 107 V CA -0.014 62.306 62.300 0.034 0.000 0.966 107 V CB 0.804 32.647 31.823 0.034 0.000 1.015 107 V HN 0.991 nan 8.190 nan 0.000 0.477 108 G N 4.118 112.952 108.800 0.057 0.000 4.379 108 G HA2 0.250 4.210 3.960 0.001 0.000 0.290 108 G HA3 0.250 4.210 3.960 0.001 0.000 0.290 108 G C 0.618 175.567 174.900 0.082 0.000 1.065 108 G CA -0.150 44.999 45.100 0.083 0.000 0.833 108 G HN 0.843 nan 8.290 nan 0.000 0.512 109 I N -1.908 118.703 120.570 0.068 0.000 3.735 109 I HA 0.428 4.599 4.170 0.001 0.000 0.310 109 I C 1.166 177.332 176.117 0.081 0.000 1.270 109 I CA 0.214 61.551 61.300 0.061 0.000 1.207 109 I CB -0.379 37.643 38.000 0.037 0.000 1.013 109 I HN 0.221 nan 8.210 nan 0.000 0.452 110 G N 1.593 110.462 108.800 0.115 0.000 2.601 110 G HA2 -0.157 3.803 3.960 0.001 0.000 0.261 110 G HA3 -0.157 3.803 3.960 0.001 0.000 0.261 110 G C -0.023 174.974 174.900 0.161 0.000 1.289 110 G CA 0.151 45.341 45.100 0.150 0.000 0.920 110 G HN 0.900 nan 8.290 nan 0.000 0.571 111 A N -1.553 121.377 122.820 0.183 0.000 3.444 111 A HA 0.869 5.189 4.320 0.001 0.000 0.189 111 A C -0.056 177.579 177.584 0.084 0.000 1.542 111 A CA 1.098 53.255 52.037 0.200 0.000 0.867 111 A CB 1.123 20.398 19.000 0.457 0.000 1.712 111 A HN 2.211 nan 8.150 nan 0.000 0.556 112 H N -1.518 117.495 119.070 -0.095 0.000 2.894 112 H HA 0.598 5.155 4.556 0.001 0.000 0.367 112 H C -1.720 173.448 175.328 -0.266 0.000 1.144 112 H CA -0.528 55.425 56.048 -0.158 0.000 1.180 112 H CB 1.142 30.836 29.762 -0.113 0.000 1.758 112 H HN 0.388 nan 8.280 nan 0.000 0.541 113 L N 4.475 125.147 121.223 -0.919 0.000 2.314 113 L HA 0.425 4.766 4.340 0.001 0.000 0.275 113 L C 0.436 176.814 176.870 -0.820 0.000 1.068 113 L CA -0.708 53.687 54.840 -0.742 0.000 0.894 113 L CB 1.015 42.725 42.059 -0.581 0.000 1.275 113 L HN 0.829 nan 8.230 nan 0.000 0.432 114 A N 1.552 124.098 122.820 -0.456 0.000 2.863 114 A HA 0.041 4.361 4.320 0.001 0.000 0.246 114 A C 1.806 179.230 177.584 -0.267 0.000 1.772 114 A CA 0.430 52.347 52.037 -0.199 0.000 1.456 114 A CB -0.826 18.180 19.000 0.010 0.000 0.930 114 A HN 0.831 nan 8.150 nan 0.000 0.630 115 T N -0.746 113.518 114.554 -0.483 0.000 2.803 115 T HA -0.251 4.100 4.350 0.001 0.000 0.269 115 T C 1.573 176.044 174.700 -0.381 0.000 1.052 115 T CA 1.353 62.992 62.100 -0.769 0.000 1.136 115 T CB -0.341 67.727 68.868 -1.335 0.000 0.864 115 T HN 0.771 nan 8.240 nan 0.000 0.467 116 E N 2.005 122.104 120.200 -0.167 0.000 2.267 116 E HA -0.142 4.209 4.350 0.001 0.000 0.197 116 E C 1.972 178.563 176.600 -0.015 0.000 0.998 116 E CA 0.920 57.301 56.400 -0.031 0.000 0.830 116 E CB -0.701 29.008 29.700 0.016 0.000 0.751 116 E HN 0.574 nan 8.360 nan 0.000 0.491 117 L N 1.277 122.478 121.223 -0.037 0.000 2.599 117 L HA 0.093 4.434 4.340 0.001 0.000 0.230 117 L C 0.326 177.217 176.870 0.034 0.000 1.141 117 L CA -0.044 54.796 54.840 0.000 0.000 0.877 117 L CB 0.372 42.438 42.059 0.011 0.000 1.009 117 L HN -0.095 nan 8.230 nan 0.000 0.447 118 V N 0.657 120.590 119.914 0.032 0.000 2.326 118 V HA 0.156 4.276 4.120 0.001 0.000 0.281 118 V C 0.329 176.512 176.094 0.148 0.000 1.015 118 V CA -0.958 61.403 62.300 0.100 0.000 0.823 118 V CB 1.357 33.252 31.823 0.120 0.000 1.009 118 V HN 0.130 nan 8.190 nan 0.000 0.436 119 K N 3.339 123.806 120.400 0.112 0.000 2.451 119 K HA 0.346 4.666 4.320 0.001 0.000 0.280 119 K C 1.212 177.873 176.600 0.102 0.000 1.020 119 K CA 1.169 57.511 56.287 0.092 0.000 1.008 119 K CB 0.308 32.847 32.500 0.065 0.000 0.917 119 K HN 1.088 nan 8.250 nan 0.000 0.478 120 G N 4.627 113.453 108.800 0.043 0.000 2.157 120 G HA2 -0.239 3.721 3.960 0.001 0.000 0.248 120 G HA3 -0.239 3.721 3.960 0.001 0.000 0.248 120 G C 0.621 175.486 174.900 -0.058 0.000 0.979 120 G CA 0.313 45.362 45.100 -0.085 0.000 0.650 120 G HN 0.938 nan 8.290 nan 0.000 0.529 121 W N 1.034 122.293 121.300 -0.068 0.000 2.333 121 W HA -0.133 4.527 4.660 0.001 0.000 0.316 121 W C 1.607 178.095 176.519 -0.052 0.000 1.215 121 W CA 2.185 59.509 57.345 -0.035 0.000 1.278 121 W CB -0.240 29.211 29.460 -0.015 0.000 1.154 121 W HN 0.280 nan 8.180 nan 0.000 0.486 122 D N 0.410 120.739 120.400 -0.118 0.000 2.104 122 D HA -0.200 4.440 4.640 0.001 0.000 0.194 122 D C 2.092 178.194 176.300 -0.330 0.000 0.994 122 D CA 1.933 55.807 54.000 -0.210 0.000 0.830 122 D CB -0.335 40.444 40.800 -0.035 0.000 0.959 122 D HN 0.302 nan 8.370 nan 0.000 0.452 123 K N -0.454 119.707 120.400 -0.399 0.000 2.001 123 K HA -0.120 4.201 4.320 0.001 0.000 0.208 123 K C 1.112 177.437 176.600 -0.457 0.000 1.048 123 K CA 1.030 56.984 56.287 -0.555 0.000 0.932 123 K CB -0.036 31.885 32.500 -0.964 0.000 0.715 123 K HN 0.280 nan 8.250 nan 0.000 0.437 124 Y N -0.434 119.725 120.300 -0.234 0.000 2.641 124 Y HA 0.337 4.887 4.550 0.001 0.000 0.248 124 Y C 0.694 176.352 175.900 -0.404 0.000 1.170 124 Y CA -1.078 56.859 58.100 -0.272 0.000 1.201 124 Y CB 0.103 38.490 38.460 -0.123 0.000 1.232 124 Y HN -0.106 nan 8.280 nan 0.000 0.537 125 G N -0.173 108.302 108.800 -0.542 0.000 2.395 125 G HA2 0.399 4.359 3.960 0.001 0.000 0.283 125 G HA3 0.399 4.359 3.960 0.001 0.000 0.283 125 G C -1.531 172.887 174.900 -0.803 0.000 1.178 125 G CA -0.213 44.422 45.100 -0.775 0.000 0.837 125 G HN 0.225 nan 8.290 nan 0.000 0.518 126 Y N 0.969 121.186 120.300 -0.138 0.000 2.338 126 Y HA 0.449 5.000 4.550 0.001 0.000 0.328 126 Y C 0.666 176.643 175.900 0.129 0.000 0.965 126 Y CA -0.564 57.605 58.100 0.115 0.000 1.208 126 Y CB 2.080 40.611 38.460 0.118 0.000 1.132 126 Y HN 0.553 nan 8.280 nan 0.000 0.469 127 S N 1.595 117.332 115.700 0.061 0.000 2.616 127 S HA 0.323 4.794 4.470 0.001 0.000 0.277 127 S C 0.540 175.203 174.600 0.105 0.000 1.234 127 S CA -0.478 57.784 58.200 0.102 0.000 1.028 127 S CB 1.545 64.648 63.200 -0.161 0.000 0.988 127 S HN 0.601 nan 8.310 nan 0.000 0.522 128 V N 3.024 122.991 119.914 0.088 0.000 3.471 128 V HA 0.147 4.267 4.120 0.001 0.000 0.258 128 V C 1.205 177.337 176.094 0.063 0.000 1.192 128 V CA 0.841 63.191 62.300 0.084 0.000 1.116 128 V CB 0.119 31.983 31.823 0.069 0.000 0.792 128 V HN 0.997 nan 8.190 nan 0.000 0.459 129 C N 1.275 120.590 119.300 0.026 0.000 2.780 129 C HA 0.356 4.816 4.460 0.001 0.000 0.287 129 C C 0.293 175.293 174.990 0.017 0.000 1.288 129 C CA -0.601 58.427 59.018 0.017 0.000 1.713 129 C CB -1.080 26.653 27.740 -0.012 0.000 1.955 129 C HN 0.498 nan 8.230 nan 0.000 0.613 130 E N 2.074 122.303 120.200 0.048 0.000 2.109 130 E HA 0.204 4.554 4.350 0.001 0.000 0.278 130 E C -1.518 175.204 176.600 0.203 0.000 0.954 130 E CA -2.104 54.379 56.400 0.138 0.000 0.779 130 E CB 0.760 30.576 29.700 0.193 0.000 1.093 130 E HN 0.154 nan 8.360 nan 0.000 0.401 131 P HA -0.279 nan 4.420 nan 0.000 0.220 131 P C 0.490 177.819 177.300 0.048 0.000 0.849 131 P CA 1.658 64.780 63.100 0.036 0.000 1.048 131 P CB 0.317 31.992 31.700 -0.042 0.000 0.727 132 E N -2.396 117.824 120.200 0.034 0.000 2.437 132 E HA 0.111 4.461 4.350 0.001 0.000 0.189 132 E C 1.619 178.243 176.600 0.039 0.000 1.054 132 E CA -0.171 56.233 56.400 0.006 0.000 0.874 132 E CB -0.676 28.988 29.700 -0.061 0.000 1.011 132 E HN 0.320 nan 8.360 nan 0.000 0.474 133 F N 1.545 121.506 119.950 0.018 0.000 2.325 133 F HA -0.023 4.505 4.527 0.001 0.000 0.299 133 F C 2.203 178.042 175.800 0.065 0.000 1.090 133 F CA 0.803 58.833 58.000 0.050 0.000 1.392 133 F CB 0.061 39.115 39.000 0.090 0.000 1.053 133 F HN 0.055 nan 8.300 nan 0.000 0.521 134 A N -1.211 121.750 122.820 0.235 0.000 2.121 134 A HA -0.116 4.204 4.320 0.001 0.000 0.218 134 A C 2.149 179.779 177.584 0.077 0.000 1.154 134 A CA 2.012 54.134 52.037 0.141 0.000 0.679 134 A CB -1.006 18.049 19.000 0.092 0.000 0.795 134 A HN 0.339 nan 8.150 nan 0.000 0.458 135 T N -0.597 113.989 114.554 0.054 0.000 2.814 135 T HA -0.059 4.291 4.350 0.001 0.000 0.254 135 T C 1.987 176.692 174.700 0.008 0.000 1.037 135 T CA 1.333 63.438 62.100 0.009 0.000 1.143 135 T CB -0.143 68.715 68.868 -0.018 0.000 0.866 135 T HN 0.615 nan 8.240 nan 0.000 0.431 136 K N 0.605 121.006 120.400 0.002 0.000 2.160 136 K HA -0.143 4.178 4.320 0.001 0.000 0.206 136 K C 2.194 178.872 176.600 0.129 0.000 1.047 136 K CA 1.115 57.420 56.287 0.029 0.000 0.930 136 K CB -0.250 32.201 32.500 -0.081 0.000 0.720 136 K HN 0.151 nan 8.250 nan 0.000 0.450 137 L N 1.662 122.962 121.223 0.128 0.000 2.023 137 L HA -0.084 4.256 4.340 0.001 0.000 0.205 137 L C 2.508 179.310 176.870 -0.112 0.000 1.073 137 L CA 1.570 56.394 54.840 -0.026 0.000 0.745 137 L CB -0.785 41.288 42.059 0.023 0.000 0.900 137 L HN 0.151 nan 8.230 nan 0.000 0.435 138 R N -0.240 120.217 120.500 -0.070 0.000 2.113 138 R HA -0.232 4.108 4.340 0.001 0.000 0.244 138 R C 2.104 178.355 176.300 -0.083 0.000 1.142 138 R CA 2.279 58.317 56.100 -0.103 0.000 0.953 138 R CB -0.239 30.025 30.300 -0.060 0.000 0.860 138 R HN 0.553 nan 8.270 nan 0.000 0.438 139 E N -0.155 120.024 120.200 -0.035 0.000 2.106 139 E HA -0.214 4.136 4.350 0.001 0.000 0.192 139 E C 1.954 178.558 176.600 0.007 0.000 0.984 139 E CA 1.094 57.491 56.400 -0.006 0.000 0.806 139 E CB -0.031 29.673 29.700 0.008 0.000 0.750 139 E HN 0.095 nan 8.360 nan 0.000 0.458 140 K N 1.402 121.793 120.400 -0.015 0.000 2.057 140 K HA -0.105 4.216 4.320 0.001 0.000 0.206 140 K C 1.851 178.445 176.600 -0.011 0.000 1.050 140 K CA 1.051 57.328 56.287 -0.016 0.000 0.935 140 K CB -0.324 32.088 32.500 -0.147 0.000 0.715 140 K HN 0.051 nan 8.250 nan 0.000 0.439 141 L N 1.085 122.243 121.223 -0.108 0.000 2.141 141 L HA -0.128 4.213 4.340 0.001 0.000 0.209 141 L C 2.212 179.140 176.870 0.098 0.000 1.094 141 L CA 1.760 56.547 54.840 -0.087 0.000 0.763 141 L CB -0.474 41.381 42.059 -0.341 0.000 0.908 141 L HN 0.395 nan 8.230 nan 0.000 0.437 142 E N -0.960 119.282 120.200 0.069 0.000 2.371 142 E HA -0.110 4.241 4.350 0.001 0.000 0.194 142 E C 1.856 178.561 176.600 0.175 0.000 1.012 142 E CA 1.026 57.525 56.400 0.166 0.000 0.860 142 E CB -0.098 29.660 29.700 0.097 0.000 0.811 142 E HN 0.441 nan 8.360 nan 0.000 0.502 143 S N -0.062 115.738 115.700 0.167 0.000 2.535 143 S HA 0.074 4.545 4.470 0.001 0.000 0.214 143 S C 0.328 175.053 174.600 0.209 0.000 0.980 143 S CA -0.749 57.540 58.200 0.149 0.000 0.907 143 S CB -0.431 62.835 63.200 0.110 0.000 0.790 143 S HN 0.218 nan 8.310 nan 0.000 0.510 144 F N 3.596 123.613 119.950 0.112 0.000 2.571 144 F HA 0.235 4.763 4.527 0.001 0.000 0.390 144 F C 1.474 177.337 175.800 0.106 0.000 1.043 144 F CA -0.323 57.747 58.000 0.117 0.000 1.164 144 F CB 0.592 39.709 39.000 0.196 0.000 1.049 144 F HN 0.103 nan 8.300 nan 0.000 0.552 145 Q N 3.639 123.264 119.800 -0.293 0.000 2.269 145 Q HA 0.267 4.608 4.340 0.001 0.000 0.201 145 Q C 0.897 176.675 176.000 -0.369 0.000 0.946 145 Q CA 0.845 56.502 55.803 -0.243 0.000 0.877 145 Q CB 0.194 28.816 28.738 -0.193 0.000 0.963 145 Q HN 0.885 nan 8.270 nan 0.000 0.472 146 G N -2.146 106.158 108.800 -0.827 0.000 2.350 146 G HA2 0.415 4.376 3.960 0.001 0.000 0.304 146 G HA3 0.415 4.376 3.960 0.001 0.000 0.304 146 G C -0.522 173.885 174.900 -0.822 0.000 1.421 146 G CA 0.061 44.764 45.100 -0.662 0.000 0.934 146 G HN 0.410 nan 8.290 nan 0.000 0.632 147 G N -0.635 107.955 108.800 -0.350 0.000 2.270 147 G HA2 0.334 4.295 3.960 0.001 0.000 0.268 147 G HA3 0.334 4.295 3.960 0.001 0.000 0.268 147 G C -0.907 174.084 174.900 0.152 0.000 1.312 147 G CA -0.119 44.953 45.100 -0.047 0.000 1.050 147 G HN 1.265 nan 8.290 nan 0.000 0.474 148 N N -0.416 118.440 118.700 0.260 0.000 2.430 148 N HA 0.699 5.439 4.740 0.001 0.000 0.292 148 N C -0.580 175.003 175.510 0.121 0.000 1.051 148 N CA -0.515 52.648 53.050 0.189 0.000 0.917 148 N CB 2.138 40.725 38.487 0.167 0.000 1.164 148 N HN 0.513 nan 8.380 nan 0.000 0.484 149 I N 1.264 121.841 120.570 0.012 0.000 2.498 149 I HA 0.570 4.740 4.170 0.001 0.000 0.290 149 I C -0.692 175.424 176.117 -0.002 0.000 1.032 149 I CA -0.901 60.361 61.300 -0.064 0.000 1.073 149 I CB 1.918 39.804 38.000 -0.191 0.000 1.251 149 I HN 0.499 nan 8.210 nan 0.000 0.426 150 A N 7.501 130.352 122.820 0.051 0.000 2.318 150 A HA 0.820 5.141 4.320 0.001 0.000 0.317 150 A C -1.039 176.646 177.584 0.169 0.000 1.159 150 A CA -0.495 51.622 52.037 0.134 0.000 0.799 150 A CB 1.298 20.407 19.000 0.182 0.000 1.194 150 A HN 0.744 nan 8.150 nan 0.000 0.479 151 I N 2.340 122.939 120.570 0.049 0.000 2.533 151 I HA 0.773 4.943 4.170 0.001 0.000 0.290 151 I C 0.026 175.829 176.117 -0.524 0.000 1.056 151 I CA 0.094 61.328 61.300 -0.110 0.000 1.057 151 I CB 1.958 39.916 38.000 -0.070 0.000 1.240 151 I HN 0.955 nan 8.210 nan 0.000 0.423 152 G N 4.150 112.477 108.800 -0.788 0.000 2.340 152 G HA2 0.444 4.404 3.960 0.001 0.000 0.299 152 G HA3 0.444 4.404 3.960 0.001 0.000 0.299 152 G C -1.738 172.818 174.900 -0.573 0.000 1.291 152 G CA -0.073 44.369 45.100 -1.097 0.000 0.841 152 G HN 0.755 nan 8.290 nan 0.000 0.500 153 S N -1.249 114.279 115.700 -0.286 0.000 2.600 153 S HA 0.858 5.329 4.470 0.001 0.000 0.300 153 S C 0.398 175.136 174.600 0.230 0.000 1.087 153 S CA 0.017 58.237 58.200 0.035 0.000 0.965 153 S CB 1.692 64.921 63.200 0.049 0.000 1.089 153 S HN 1.803 nan 8.310 nan 0.000 0.496 154 G N 0.659 109.602 108.800 0.238 0.000 2.537 154 G HA2 0.599 4.560 3.960 0.001 0.000 0.273 154 G HA3 0.599 4.560 3.960 0.001 0.000 0.273 154 G C -2.978 172.047 174.900 0.208 0.000 1.189 154 G CA -1.871 43.384 45.100 0.259 0.000 0.881 154 G HN 0.564 nan 8.290 nan 0.000 0.535 155 P HA 0.125 nan 4.420 nan 0.000 0.270 155 P C -0.809 176.547 177.300 0.094 0.000 1.223 155 P CA -0.355 62.759 63.100 0.024 0.000 0.785 155 P CB 0.499 32.074 31.700 -0.209 0.000 0.923 156 F N 2.670 122.553 119.950 -0.111 0.000 2.361 156 F HA 0.322 4.849 4.527 0.001 0.000 0.364 156 F C -0.640 175.131 175.800 -0.048 0.000 1.120 156 F CA -1.936 56.066 58.000 0.003 0.000 1.102 156 F CB -0.319 38.652 39.000 -0.049 0.000 1.183 156 F HN 0.209 nan 8.300 nan 0.000 0.476 157 Y N 4.965 125.415 120.300 0.250 0.000 2.734 157 Y HA 0.108 4.659 4.550 0.001 0.000 0.353 157 Y C 1.022 176.789 175.900 -0.222 0.000 1.244 157 Y CA 0.025 58.137 58.100 0.021 0.000 1.950 157 Y CB -0.544 38.000 38.460 0.139 0.000 2.028 157 Y HN 0.557 nan 8.280 nan 0.000 0.421 158 Q N 1.187 120.487 119.800 -0.833 0.000 2.364 158 Q HA 0.281 4.621 4.340 0.001 0.000 0.267 158 Q C 0.574 176.276 176.000 -0.496 0.000 0.999 158 Q CA -0.143 54.999 55.803 -1.102 0.000 0.886 158 Q CB 0.727 28.643 28.738 -1.370 0.000 1.243 158 Q HN 0.718 nan 8.270 nan 0.000 0.415 159 G N 1.735 110.350 108.800 -0.308 0.000 2.451 159 G HA2 0.292 4.253 3.960 0.001 0.000 0.303 159 G HA3 0.292 4.253 3.960 0.001 0.000 0.303 159 G C -0.696 173.920 174.900 -0.473 0.000 1.166 159 G CA -0.257 44.747 45.100 -0.159 0.000 0.884 159 G HN 0.938 nan 8.290 nan 0.000 0.514 160 H N -0.733 118.348 119.070 0.017 0.000 3.457 160 H HA 0.220 4.777 4.556 0.001 0.000 0.255 160 H C -0.141 175.195 175.328 0.014 0.000 1.082 160 H CA -0.200 55.848 56.048 0.000 0.000 1.189 160 H CB 0.827 30.579 29.762 -0.017 0.000 1.511 160 H HN 0.479 nan 8.280 nan 0.000 0.527 161 N N 1.264 120.030 118.700 0.109 0.000 2.324 161 N HA 0.216 4.956 4.740 0.001 0.000 0.285 161 N C -2.854 172.691 175.510 0.058 0.000 1.076 161 N CA -1.584 51.511 53.050 0.074 0.000 0.864 161 N CB 2.924 41.451 38.487 0.067 0.000 1.632 161 N HN -0.107 nan 8.380 nan 0.000 0.478 162 P HA 0.170 nan 4.420 nan 0.000 0.275 162 P C -0.985 176.339 177.300 0.039 0.000 1.266 162 P CA -0.243 62.879 63.100 0.038 0.000 0.793 162 P CB 0.982 32.697 31.700 0.024 0.000 1.074 163 K N 0.451 120.870 120.400 0.030 0.000 2.098 163 K HA 0.459 4.779 4.320 0.001 0.000 0.261 163 K C -2.136 174.471 176.600 0.012 0.000 0.987 163 K CA -1.745 54.559 56.287 0.028 0.000 0.916 163 K CB -0.434 32.084 32.500 0.030 0.000 1.039 163 K HN 0.330 nan 8.250 nan 0.000 0.455 164 P HA 0.039 nan 4.420 nan 0.000 0.271 164 P C -0.990 176.296 177.300 -0.023 0.000 1.218 164 P CA -0.165 62.930 63.100 -0.008 0.000 0.780 164 P CB 0.461 32.157 31.700 -0.006 0.000 0.901 165 K N 1.702 122.077 120.400 -0.042 0.000 2.333 165 K HA 0.290 4.610 4.320 0.001 0.000 0.241 165 K C -0.121 176.429 176.600 -0.083 0.000 1.193 165 K CA -0.300 55.952 56.287 -0.057 0.000 1.142 165 K CB -0.272 32.194 32.500 -0.057 0.000 1.731 165 K HN 0.284 nan 8.250 nan 0.000 0.344 166 V N -1.251 118.606 119.914 -0.095 0.000 3.102 166 V HA 0.611 4.732 4.120 0.001 0.000 0.312 166 V C -2.696 173.237 176.094 -0.268 0.000 1.135 166 V CA -2.715 59.482 62.300 -0.171 0.000 1.022 166 V CB 1.335 33.114 31.823 -0.073 0.000 1.056 166 V HN 0.207 nan 8.190 nan 0.000 0.436 167 P HA 0.203 nan 4.420 nan 0.000 0.270 167 P C -0.252 176.882 177.300 -0.278 0.000 1.227 167 P CA -0.122 62.658 63.100 -0.533 0.000 0.788 167 P CB 0.213 31.354 31.700 -0.932 0.000 0.926 168 E N 0.743 120.872 120.200 -0.119 0.000 2.442 168 E HA -0.063 4.288 4.350 0.001 0.000 0.262 168 E C 0.234 176.914 176.600 0.134 0.000 1.004 168 E CA 0.446 56.851 56.400 0.009 0.000 0.928 168 E CB -0.354 29.352 29.700 0.009 0.000 0.937 168 E HN 0.396 nan 8.360 nan 0.000 0.446 169 N N 0.790 119.578 118.700 0.146 0.000 2.828 169 N HA -0.254 4.487 4.740 0.001 0.000 0.248 169 N C 0.210 175.888 175.510 0.280 0.000 1.044 169 N CA 0.582 53.738 53.050 0.176 0.000 0.851 169 N CB -1.280 37.289 38.487 0.137 0.000 1.136 169 N HN 0.448 nan 8.380 nan 0.000 0.572 170 F N 0.199 120.174 119.950 0.042 0.000 2.558 170 F HA 0.111 4.638 4.527 0.001 0.000 0.298 170 F C 0.598 176.452 175.800 0.090 0.000 1.119 170 F CA 0.167 58.212 58.000 0.076 0.000 1.451 170 F CB 0.624 39.682 39.000 0.096 0.000 1.091 170 F HN -0.115 nan 8.300 nan 0.000 0.563 171 V N 2.090 122.132 119.914 0.212 0.000 2.443 171 V HA 0.288 4.409 4.120 0.001 0.000 0.293 171 V C -2.079 174.067 176.094 0.086 0.000 1.021 171 V CA -1.640 60.735 62.300 0.125 0.000 0.848 171 V CB 1.259 33.141 31.823 0.098 0.000 0.998 171 V HN -0.124 nan 8.190 nan 0.000 0.424 172 P HA 0.425 nan 4.420 nan 0.000 0.281 172 P C -1.059 176.280 177.300 0.065 0.000 1.264 172 P CA -0.728 62.403 63.100 0.051 0.000 0.824 172 P CB 1.021 32.736 31.700 0.025 0.000 1.092 173 N N 0.002 118.744 118.700 0.069 0.000 2.426 173 N HA 0.516 5.257 4.740 0.001 0.000 0.275 173 N C -0.614 174.941 175.510 0.075 0.000 1.019 173 N CA -0.161 52.945 53.050 0.094 0.000 0.941 173 N CB 1.351 39.894 38.487 0.093 0.000 1.123 173 N HN 0.468 nan 8.380 nan 0.000 0.486 174 A N 1.191 124.076 122.820 0.107 0.000 2.435 174 A HA 0.446 4.766 4.320 0.001 0.000 0.304 174 A C 0.105 177.783 177.584 0.155 0.000 1.064 174 A CA -0.661 51.453 52.037 0.127 0.000 0.727 174 A CB 1.234 20.321 19.000 0.144 0.000 1.284 174 A HN 0.525 nan 8.150 nan 0.000 0.415 175 D N 0.343 120.805 120.400 0.104 0.000 2.333 175 D HA 0.093 4.734 4.640 0.001 0.000 0.208 175 D C 0.209 176.594 176.300 0.141 0.000 0.984 175 D CA 1.105 55.158 54.000 0.089 0.000 0.873 175 D CB 0.683 41.519 40.800 0.059 0.000 0.935 175 D HN 0.324 nan 8.370 nan 0.000 0.521 176 S N -0.879 114.892 115.700 0.117 0.000 2.538 176 S HA 0.540 5.010 4.470 0.001 0.000 0.288 176 S C 0.441 174.952 174.600 -0.149 0.000 1.108 176 S CA -0.528 57.691 58.200 0.032 0.000 0.971 176 S CB 1.892 65.100 63.200 0.014 0.000 1.041 176 S HN 0.030 nan 8.310 nan 0.000 0.483 177 A N 2.429 124.953 122.820 -0.494 0.000 1.975 177 A HA 0.236 4.557 4.320 0.001 0.000 0.215 177 A C 0.976 178.131 177.584 -0.716 0.000 1.170 177 A CA 0.434 51.844 52.037 -1.045 0.000 0.656 177 A CB -0.218 17.515 19.000 -2.112 0.000 0.821 177 A HN 0.751 nan 8.150 nan 0.000 0.449 178 C N -0.494 118.515 119.300 -0.486 0.000 3.362 178 C HA 0.480 4.941 4.460 0.001 0.000 0.276 178 C C 0.870 175.776 174.990 -0.140 0.000 1.102 178 C CA -0.563 58.288 59.018 -0.278 0.000 1.361 178 C CB -0.440 27.169 27.740 -0.218 0.000 1.822 178 C HN 0.714 nan 8.230 nan 0.000 0.538 179 E N 1.469 121.595 120.200 -0.124 0.000 2.276 179 E HA 0.088 4.439 4.350 0.001 0.000 0.193 179 E C 2.051 178.624 176.600 -0.045 0.000 0.983 179 E CA 0.979 57.336 56.400 -0.071 0.000 0.861 179 E CB 0.155 29.795 29.700 -0.099 0.000 0.817 179 E HN 0.901 nan 8.360 nan 0.000 0.485 180 G N 1.984 110.747 108.800 -0.061 0.000 2.505 180 G HA2 -0.229 3.732 3.960 0.001 0.000 0.220 180 G HA3 -0.229 3.732 3.960 0.001 0.000 0.220 180 G C -0.840 174.107 174.900 0.078 0.000 1.145 180 G CA 0.729 45.829 45.100 -0.001 0.000 0.761 180 G HN 0.316 nan 8.290 nan 0.000 0.571 181 P HA -0.012 nan 4.420 nan 0.000 0.219 181 P C 2.017 179.368 177.300 0.085 0.000 1.146 181 P CA 0.454 63.587 63.100 0.055 0.000 0.808 181 P CB -0.014 31.705 31.700 0.032 0.000 0.779 182 V N -1.103 118.881 119.914 0.116 0.000 2.358 182 V HA -0.220 3.901 4.120 0.001 0.000 0.246 182 V C 2.129 178.390 176.094 0.279 0.000 1.047 182 V CA 1.542 63.938 62.300 0.159 0.000 1.035 182 V CB -1.200 30.727 31.823 0.173 0.000 0.658 182 V HN 0.031 nan 8.190 nan 0.000 0.452 183 F N 1.358 121.412 119.950 0.173 0.000 2.102 183 F HA -0.142 4.385 4.527 0.001 0.000 0.298 183 F C 2.374 178.258 175.800 0.140 0.000 1.105 183 F CA 1.946 60.080 58.000 0.222 0.000 1.239 183 F CB -0.400 38.653 39.000 0.088 0.000 0.991 183 F HN 0.230 nan 8.300 nan 0.000 0.474 184 E N -0.110 120.113 120.200 0.038 0.000 2.038 184 E HA -0.277 4.073 4.350 0.001 0.000 0.195 184 E C 2.299 178.859 176.600 -0.066 0.000 1.000 184 E CA 1.966 58.315 56.400 -0.085 0.000 0.803 184 E CB -0.352 29.343 29.700 -0.008 0.000 0.750 184 E HN 0.449 nan 8.360 nan 0.000 0.448 185 M N 0.898 120.497 119.600 -0.003 0.000 2.149 185 M HA -0.174 4.307 4.480 0.001 0.000 0.261 185 M C 2.674 178.976 176.300 0.004 0.000 1.064 185 M CA 1.612 56.912 55.300 -0.000 0.000 1.102 185 M CB -0.513 32.094 32.600 0.012 0.000 1.369 185 M HN 0.120 nan 8.290 nan 0.000 0.408 186 S N 1.107 116.818 115.700 0.017 0.000 2.370 186 S HA -0.126 4.345 4.470 0.001 0.000 0.226 186 S C 1.849 176.458 174.600 0.015 0.000 1.033 186 S CA 1.135 59.345 58.200 0.017 0.000 1.011 186 S CB -0.951 62.288 63.200 0.066 0.000 0.852 186 S HN 0.491 nan 8.310 nan 0.000 0.457 187 L N 0.236 121.417 121.223 -0.070 0.000 2.093 187 L HA -0.005 4.336 4.340 0.001 0.000 0.208 187 L C 2.937 179.821 176.870 0.023 0.000 1.085 187 L CA 1.413 56.209 54.840 -0.075 0.000 0.755 187 L CB -0.599 41.305 42.059 -0.258 0.000 0.904 187 L HN 0.360 nan 8.230 nan 0.000 0.435 188 M N -0.523 119.079 119.600 0.004 0.000 2.117 188 M HA -0.209 4.271 4.480 0.001 0.000 0.262 188 M C 2.271 178.619 176.300 0.080 0.000 1.065 188 M CA 1.674 56.995 55.300 0.036 0.000 1.114 188 M CB -0.279 32.329 32.600 0.012 0.000 1.361 188 M HN 0.232 nan 8.290 nan 0.000 0.408 189 L N -1.171 120.110 121.223 0.097 0.000 2.141 189 L HA -0.238 4.103 4.340 0.001 0.000 0.209 189 L C 2.684 179.756 176.870 0.336 0.000 1.094 189 L CA 1.105 56.055 54.840 0.183 0.000 0.763 189 L CB -0.999 41.176 42.059 0.193 0.000 0.908 189 L HN 0.471 nan 8.230 nan 0.000 0.437 190 H N 0.105 119.269 119.070 0.157 0.000 2.357 190 H HA -0.117 4.439 4.556 0.001 0.000 0.301 190 H C 2.009 177.416 175.328 0.132 0.000 1.082 190 H CA 1.543 57.683 56.048 0.154 0.000 1.342 190 H CB 0.269 30.076 29.762 0.074 0.000 1.389 190 H HN 0.309 nan 8.280 nan 0.000 0.511 191 G N -0.105 108.777 108.800 0.137 0.000 2.433 191 G HA2 -0.343 3.618 3.960 0.001 0.000 0.216 191 G HA3 -0.343 3.618 3.960 0.001 0.000 0.216 191 G C 1.686 176.575 174.900 -0.019 0.000 1.186 191 G CA 0.825 45.951 45.100 0.044 0.000 0.779 191 G HN 0.536 nan 8.290 nan 0.000 0.543 192 Y N 0.837 121.052 120.300 -0.143 0.000 2.114 192 Y HA -0.166 4.385 4.550 0.001 0.000 0.282 192 Y C 2.288 177.967 175.900 -0.368 0.000 1.165 192 Y CA 1.852 59.773 58.100 -0.298 0.000 1.148 192 Y CB -0.326 37.859 38.460 -0.458 0.000 0.972 192 Y HN 0.163 nan 8.280 nan 0.000 0.504 193 F N 0.231 120.149 119.950 -0.052 0.000 2.456 193 F HA 0.020 4.547 4.527 0.001 0.000 0.298 193 F C 2.413 178.084 175.800 -0.216 0.000 1.104 193 F CA 1.191 59.103 58.000 -0.147 0.000 1.435 193 F CB -0.450 38.537 39.000 -0.022 0.000 1.078 193 F HN -0.030 nan 8.300 nan 0.000 0.546 194 K N 0.859 121.191 120.400 -0.114 0.000 2.062 194 K HA -0.135 4.185 4.320 0.001 0.000 0.205 194 K C 1.882 178.404 176.600 -0.130 0.000 1.051 194 K CA 1.119 57.313 56.287 -0.156 0.000 0.941 194 K CB -0.007 32.371 32.500 -0.204 0.000 0.719 194 K HN 0.159 nan 8.250 nan 0.000 0.440 195 K N 0.409 120.707 120.400 -0.171 0.000 2.211 195 K HA -0.092 4.228 4.320 0.001 0.000 0.203 195 K C 1.653 178.132 176.600 -0.202 0.000 1.050 195 K CA 1.123 57.304 56.287 -0.177 0.000 0.945 195 K CB 0.143 32.524 32.500 -0.198 0.000 0.732 195 K HN 0.061 nan 8.250 nan 0.000 0.451 196 K N -0.509 119.737 120.400 -0.257 0.000 2.426 196 K HA 0.047 4.368 4.320 0.001 0.000 0.193 196 K C 0.592 177.135 176.600 -0.094 0.000 1.028 196 K CA 0.458 56.623 56.287 -0.204 0.000 1.047 196 K CB 0.682 33.023 32.500 -0.265 0.000 0.821 196 K HN 0.274 nan 8.250 nan 0.000 0.513 197 G N 1.827 110.580 108.800 -0.078 0.000 2.221 197 G HA2 -0.273 3.687 3.960 0.001 0.000 0.265 197 G HA3 -0.273 3.687 3.960 0.001 0.000 0.265 197 G C 0.434 175.320 174.900 -0.023 0.000 1.041 197 G CA 0.274 45.346 45.100 -0.047 0.000 0.807 197 G HN 0.266 nan 8.290 nan 0.000 0.502 198 M N -0.412 119.192 119.600 0.007 0.000 2.356 198 M HA 0.327 4.808 4.480 0.001 0.000 0.262 198 M C 2.294 178.577 176.300 -0.029 0.000 1.097 198 M CA -0.117 55.194 55.300 0.020 0.000 0.991 198 M CB 0.089 32.769 32.600 0.133 0.000 1.450 198 M HN 0.277 nan 8.290 nan 0.000 0.495 199 L N 0.430 121.635 121.223 -0.030 0.000 2.137 199 L HA -0.268 4.072 4.340 0.001 0.000 0.213 199 L C 1.369 178.218 176.870 -0.034 0.000 1.085 199 L CA 1.181 55.992 54.840 -0.048 0.000 0.760 199 L CB -0.608 41.421 42.059 -0.050 0.000 0.893 199 L HN 0.341 nan 8.230 nan 0.000 0.434 200 D N -0.689 119.697 120.400 -0.023 0.000 2.333 200 D HA -0.058 4.582 4.640 0.001 0.000 0.208 200 D C 2.029 178.309 176.300 -0.033 0.000 0.984 200 D CA 0.715 54.727 54.000 0.019 0.000 0.873 200 D CB 0.187 41.005 40.800 0.029 0.000 0.935 200 D HN 0.286 nan 8.370 nan 0.000 0.521 201 K N -0.101 120.211 120.400 -0.147 0.000 2.323 201 K HA 0.133 4.453 4.320 0.001 0.000 0.197 201 K C 0.224 176.517 176.600 -0.511 0.000 1.043 201 K CA 0.263 56.410 56.287 -0.234 0.000 0.997 201 K CB 1.424 33.830 32.500 -0.157 0.000 0.807 201 K HN -0.057 nan 8.250 nan 0.000 0.497 202 V N 2.831 122.406 119.914 -0.565 0.000 2.459 202 V HA 0.183 4.303 4.120 0.001 0.000 0.295 202 V C -0.744 174.956 176.094 -0.657 0.000 1.029 202 V CA -0.869 61.060 62.300 -0.618 0.000 0.874 202 V CB 1.536 32.947 31.823 -0.687 0.000 0.985 202 V HN 0.224 nan 8.190 nan 0.000 0.438 203 H N 3.538 122.570 119.070 -0.064 0.000 2.762 203 H HA 0.450 5.006 4.556 0.001 0.000 0.310 203 H C -0.750 174.545 175.328 -0.055 0.000 1.004 203 H CA -0.551 55.471 56.048 -0.044 0.000 1.267 203 H CB 1.689 31.436 29.762 -0.024 0.000 1.437 203 H HN 0.348 nan 8.280 nan 0.000 0.498 204 V N 3.900 123.827 119.914 0.022 0.000 2.432 204 V HA 0.199 4.319 4.120 0.001 0.000 0.275 204 V C 0.588 176.640 176.094 -0.071 0.000 1.043 204 V CA -0.122 62.156 62.300 -0.036 0.000 0.925 204 V CB 1.394 33.190 31.823 -0.046 0.000 0.985 204 V HN 0.744 nan 8.190 nan 0.000 0.466 205 T N 4.652 119.164 114.554 -0.070 0.000 2.792 205 T HA 0.514 4.865 4.350 0.001 0.000 0.280 205 T C -0.368 174.264 174.700 -0.113 0.000 0.990 205 T CA -0.337 61.705 62.100 -0.096 0.000 0.960 205 T CB 1.654 70.491 68.868 -0.052 0.000 0.939 205 T HN 0.323 nan 8.240 nan 0.000 0.439 206 V N 5.173 124.955 119.914 -0.220 0.000 2.427 206 V HA 0.667 4.788 4.120 0.001 0.000 0.286 206 V C -0.511 175.492 176.094 -0.153 0.000 1.034 206 V CA -0.767 61.382 62.300 -0.253 0.000 0.893 206 V CB 0.676 32.255 31.823 -0.406 0.000 0.982 206 V HN 0.835 nan 8.190 nan 0.000 0.452 207 F N 2.605 122.452 119.950 -0.173 0.000 2.532 207 F HA 0.861 5.388 4.527 0.001 0.000 0.321 207 F C -0.270 175.549 175.800 0.032 0.000 1.089 207 F CA -0.849 57.070 58.000 -0.135 0.000 0.926 207 F CB 1.970 40.774 39.000 -0.326 0.000 1.168 207 F HN 0.342 nan 8.300 nan 0.000 0.459 208 S N 3.038 118.914 115.700 0.293 0.000 2.521 208 S HA 0.524 4.995 4.470 0.001 0.000 0.295 208 S C -1.950 172.872 174.600 0.369 0.000 1.098 208 S CA -1.860 56.524 58.200 0.307 0.000 0.999 208 S CB 1.790 65.198 63.200 0.348 0.000 1.034 208 S HN 0.578 nan 8.310 nan 0.000 0.483 209 P HA 0.142 nan 4.420 nan 0.000 0.223 209 P C 0.761 178.144 177.300 0.138 0.000 1.151 209 P CA 0.756 63.994 63.100 0.230 0.000 0.787 209 P CB 0.085 31.889 31.700 0.174 0.000 0.788 210 G N 0.218 109.103 108.800 0.142 0.000 3.340 210 G HA2 0.320 4.280 3.960 0.001 0.000 0.176 210 G HA3 0.320 4.280 3.960 0.001 0.000 0.176 210 G C -1.108 173.863 174.900 0.118 0.000 1.103 210 G CA -0.393 44.755 45.100 0.081 0.000 0.779 210 G HN 0.195 nan 8.290 nan 0.000 0.673 211 E N -0.458 119.815 120.200 0.122 0.000 2.151 211 E HA 0.451 4.802 4.350 0.001 0.000 0.275 211 E C -1.488 175.236 176.600 0.207 0.000 0.936 211 E CA -0.826 55.688 56.400 0.189 0.000 0.777 211 E CB 1.760 31.533 29.700 0.122 0.000 1.108 211 E HN 0.322 nan 8.360 nan 0.000 0.401 212 Y N 5.138 125.492 120.300 0.091 0.000 2.480 212 Y HA 0.100 4.650 4.550 0.001 0.000 0.338 212 Y C 0.633 176.519 175.900 -0.024 0.000 1.220 212 Y CA -0.154 57.970 58.100 0.041 0.000 1.430 212 Y CB 0.416 38.921 38.460 0.075 0.000 1.311 212 Y HN 0.698 nan 8.280 nan 0.000 0.575 213 L N 4.572 125.477 121.223 -0.531 0.000 3.795 213 L HA -0.311 4.029 4.340 0.001 0.000 0.489 213 L C 1.159 177.897 176.870 -0.218 0.000 1.259 213 L CA 0.759 55.325 54.840 -0.456 0.000 0.765 213 L CB -1.998 39.669 42.059 -0.654 0.000 1.519 213 L HN 0.772 nan 8.230 nan 0.000 0.842 214 S N -1.755 113.869 115.700 -0.127 0.000 2.547 214 S HA -0.096 4.375 4.470 0.001 0.000 0.235 214 S C 1.289 175.851 174.600 -0.064 0.000 0.980 214 S CA 0.773 58.935 58.200 -0.063 0.000 0.941 214 S CB -0.115 63.072 63.200 -0.021 0.000 0.763 214 S HN 0.741 nan 8.310 nan 0.000 0.532 215 D N 1.055 121.401 120.400 -0.090 0.000 2.355 215 D HA 0.097 4.738 4.640 0.001 0.000 0.218 215 D C 0.585 176.840 176.300 -0.076 0.000 1.004 215 D CA 0.002 53.958 54.000 -0.074 0.000 0.880 215 D CB -0.306 40.446 40.800 -0.080 0.000 0.911 215 D HN 0.403 nan 8.370 nan 0.000 0.528 216 L N 1.077 122.243 121.223 -0.095 0.000 2.399 216 L HA 0.255 4.595 4.340 0.001 0.000 0.265 216 L C 0.968 177.801 176.870 -0.061 0.000 1.089 216 L CA -0.933 53.853 54.840 -0.091 0.000 0.802 216 L CB 1.430 43.409 42.059 -0.134 0.000 1.180 216 L HN -0.044 nan 8.230 nan 0.000 0.454 217 S N 0.648 116.317 115.700 -0.050 0.000 2.600 217 S HA 0.210 4.680 4.470 0.001 0.000 0.265 217 S C -1.995 172.588 174.600 -0.030 0.000 1.325 217 S CA -1.034 57.147 58.200 -0.033 0.000 1.002 217 S CB 0.874 64.058 63.200 -0.027 0.000 0.921 217 S HN 0.403 nan 8.310 nan 0.000 0.554 218 P HA -0.122 nan 4.420 nan 0.000 0.216 218 P C 1.462 178.754 177.300 -0.013 0.000 1.150 218 P CA 1.024 64.119 63.100 -0.007 0.000 0.837 218 P CB -0.072 31.629 31.700 0.002 0.000 0.786 219 N N -0.581 118.110 118.700 -0.015 0.000 2.058 219 N HA -0.118 4.622 4.740 0.001 0.000 0.191 219 N C 1.721 177.214 175.510 -0.029 0.000 1.037 219 N CA 1.699 54.739 53.050 -0.016 0.000 0.848 219 N CB -0.725 37.754 38.487 -0.013 0.000 1.021 219 N HN -0.053 nan 8.380 nan 0.000 0.422 220 S N 0.627 116.303 115.700 -0.041 0.000 2.400 220 S HA -0.048 4.422 4.470 0.001 0.000 0.232 220 S C 1.933 176.478 174.600 -0.091 0.000 1.025 220 S CA 0.821 58.983 58.200 -0.064 0.000 0.993 220 S CB -0.056 63.099 63.200 -0.075 0.000 0.808 220 S HN 0.401 nan 8.310 nan 0.000 0.478 221 R N 0.940 121.396 120.500 -0.074 0.000 2.090 221 R HA 0.063 4.403 4.340 0.001 0.000 0.228 221 R C 2.288 178.563 176.300 -0.042 0.000 1.110 221 R CA 0.891 56.950 56.100 -0.068 0.000 0.973 221 R CB -0.120 30.163 30.300 -0.028 0.000 0.869 221 R HN 0.339 nan 8.270 nan 0.000 0.440 222 K N 0.367 120.751 120.400 -0.027 0.000 2.097 222 K HA -0.047 4.274 4.320 0.001 0.000 0.205 222 K C 2.152 178.737 176.600 -0.024 0.000 1.050 222 K CA 1.195 57.473 56.287 -0.015 0.000 0.938 222 K CB -0.088 32.408 32.500 -0.006 0.000 0.718 222 K HN 0.110 nan 8.250 nan 0.000 0.442 223 A N 1.242 124.041 122.820 -0.035 0.000 1.883 223 A HA -0.145 4.175 4.320 0.001 0.000 0.217 223 A C 2.388 179.939 177.584 -0.056 0.000 1.186 223 A CA 1.536 53.554 52.037 -0.031 0.000 0.624 223 A CB -0.799 18.185 19.000 -0.027 0.000 0.822 223 A HN 0.067 nan 8.150 nan 0.000 0.444 224 V N -0.116 119.728 119.914 -0.118 0.000 2.332 224 V HA -0.291 3.829 4.120 0.001 0.000 0.248 224 V C 3.038 178.999 176.094 -0.222 0.000 1.055 224 V CA 2.051 64.221 62.300 -0.217 0.000 1.038 224 V CB -1.211 30.388 31.823 -0.373 0.000 0.651 224 V HN 0.639 nan 8.190 nan 0.000 0.450 225 A N -1.134 121.626 122.820 -0.100 0.000 1.933 225 A HA -0.218 4.103 4.320 0.001 0.000 0.218 225 A C 2.532 180.137 177.584 0.035 0.000 1.175 225 A CA 2.106 54.139 52.037 -0.007 0.000 0.628 225 A CB -0.674 18.337 19.000 0.020 0.000 0.814 225 A HN 0.468 nan 8.150 nan 0.000 0.444 226 S N -0.519 115.187 115.700 0.010 0.000 2.383 226 S HA -0.084 4.386 4.470 0.001 0.000 0.227 226 S C 1.870 176.495 174.600 0.042 0.000 1.026 226 S CA 1.255 59.472 58.200 0.027 0.000 0.981 226 S CB -0.491 62.719 63.200 0.016 0.000 0.818 226 S HN 0.509 nan 8.310 nan 0.000 0.472 227 I N 0.266 120.851 120.570 0.026 0.000 2.179 227 I HA -0.178 3.993 4.170 0.001 0.000 0.242 227 I C 2.083 178.275 176.117 0.126 0.000 1.088 227 I CA 1.238 62.565 61.300 0.045 0.000 1.357 227 I CB -0.509 37.513 38.000 0.037 0.000 1.051 227 I HN 0.320 nan 8.210 nan 0.000 0.409 228 Y N 1.060 121.385 120.300 0.040 0.000 2.128 228 Y HA -0.288 4.262 4.550 0.001 0.000 0.284 228 Y C 2.539 178.425 175.900 -0.023 0.000 1.154 228 Y CA 1.480 59.582 58.100 0.003 0.000 1.149 228 Y CB -1.277 37.196 38.460 0.022 0.000 0.976 228 Y HN 0.284 nan 8.280 nan 0.000 0.505 229 N N -0.119 118.681 118.700 0.167 0.000 2.036 229 N HA -0.199 4.542 4.740 0.001 0.000 0.195 229 N C 1.750 177.295 175.510 0.058 0.000 1.037 229 N CA 1.750 54.851 53.050 0.085 0.000 0.855 229 N CB -0.150 38.374 38.487 0.063 0.000 1.033 229 N HN 0.190 nan 8.380 nan 0.000 0.423 230 Q N 0.026 119.857 119.800 0.051 0.000 2.077 230 Q HA -0.105 4.236 4.340 0.001 0.000 0.206 230 Q C 2.002 178.013 176.000 0.019 0.000 0.989 230 Q CA 1.125 56.948 55.803 0.034 0.000 0.853 230 Q CB -0.480 28.275 28.738 0.028 0.000 0.907 230 Q HN 0.532 nan 8.270 nan 0.000 0.418 231 L N -0.562 120.639 121.223 -0.036 0.000 2.610 231 L HA 0.091 4.431 4.340 0.001 0.000 0.232 231 L C 1.088 177.933 176.870 -0.042 0.000 1.149 231 L CA 0.442 55.158 54.840 -0.206 0.000 0.872 231 L CB -0.423 41.310 42.059 -0.544 0.000 0.992 231 L HN 0.362 nan 8.230 nan 0.000 0.447 232 G N 1.181 109.998 108.800 0.029 0.000 2.176 232 G HA2 -0.286 3.674 3.960 0.001 0.000 0.252 232 G HA3 -0.286 3.674 3.960 0.001 0.000 0.252 232 G C 0.096 175.010 174.900 0.024 0.000 1.024 232 G CA -0.081 45.054 45.100 0.059 0.000 0.755 232 G HN 0.337 nan 8.290 nan 0.000 0.507 233 I N 0.291 120.837 120.570 -0.041 0.000 2.336 233 I HA 0.340 4.511 4.170 0.001 0.000 0.292 233 I C 0.713 176.732 176.117 -0.165 0.000 0.991 233 I CA -0.684 60.515 61.300 -0.168 0.000 1.227 233 I CB 1.325 39.073 38.000 -0.419 0.000 1.366 233 I HN -0.049 nan 8.210 nan 0.000 0.466 234 K N 5.087 125.395 120.400 -0.154 0.000 2.118 234 K HA 0.561 4.882 4.320 0.001 0.000 0.264 234 K C -1.035 175.466 176.600 -0.164 0.000 1.000 234 K CA -0.674 55.548 56.287 -0.108 0.000 0.929 234 K CB 1.383 33.842 32.500 -0.069 0.000 1.021 234 K HN 0.256 nan 8.250 nan 0.000 0.463 235 L N 2.320 123.494 121.223 -0.081 0.000 2.409 235 L HA 0.381 4.721 4.340 0.001 0.000 0.272 235 L C -1.608 175.235 176.870 -0.046 0.000 0.980 235 L CA -0.598 54.195 54.840 -0.078 0.000 0.826 235 L CB 2.009 44.087 42.059 0.030 0.000 1.268 235 L HN 0.314 nan 8.230 nan 0.000 0.407 236 V N 5.284 125.189 119.914 -0.015 0.000 2.376 236 V HA 0.435 4.556 4.120 0.001 0.000 0.287 236 V C -0.348 175.887 176.094 0.235 0.000 1.015 236 V CA -0.668 61.685 62.300 0.088 0.000 0.834 236 V CB 0.989 32.846 31.823 0.057 0.000 1.001 236 V HN 0.935 nan 8.190 nan 0.000 0.428 237 H N 3.409 122.555 119.070 0.128 0.000 2.500 237 H HA 0.395 4.951 4.556 0.001 0.000 0.351 237 H C 0.375 175.824 175.328 0.201 0.000 1.281 237 H CA -1.539 54.606 56.048 0.161 0.000 1.368 237 H CB -0.056 29.785 29.762 0.131 0.000 1.616 237 H HN 0.616 nan 8.280 nan 0.000 0.591 238 N N -1.526 117.225 118.700 0.084 0.000 2.708 238 N HA -0.267 4.474 4.740 0.001 0.000 0.251 238 N C -1.365 174.231 175.510 0.143 0.000 1.017 238 N CA 0.828 53.874 53.050 -0.006 0.000 0.742 238 N CB -1.593 36.742 38.487 -0.254 0.000 0.943 238 N HN 0.531 nan 8.380 nan 0.000 0.539 239 F N 1.281 121.301 119.950 0.117 0.000 2.307 239 F HA 0.269 4.797 4.527 0.001 0.000 0.369 239 F C 0.065 175.934 175.800 0.115 0.000 1.076 239 F CA -0.928 57.133 58.000 0.102 0.000 1.149 239 F CB 0.516 39.590 39.000 0.123 0.000 1.410 239 F HN -0.152 nan 8.300 nan 0.000 0.481 240 K N 7.648 128.012 120.400 -0.061 0.000 2.250 240 K HA 0.233 4.554 4.320 0.001 0.000 0.285 240 K C 0.324 176.865 176.600 -0.097 0.000 1.097 240 K CA -0.415 55.878 56.287 0.011 0.000 0.913 240 K CB 1.038 33.524 32.500 -0.023 0.000 1.179 240 K HN 0.668 nan 8.250 nan 0.000 0.462 241 I N 2.617 123.244 120.570 0.094 0.000 2.993 241 I HA -0.216 3.954 4.170 0.001 0.000 0.301 241 I C 1.079 177.214 176.117 0.030 0.000 1.229 241 I CA 1.101 62.440 61.300 0.065 0.000 1.435 241 I CB 0.589 38.716 38.000 0.212 0.000 1.328 241 I HN 0.642 nan 8.210 nan 0.000 0.584 242 K N 4.157 124.563 120.400 0.011 0.000 2.574 242 K HA 0.279 4.600 4.320 0.001 0.000 0.215 242 K C -0.467 176.173 176.600 0.066 0.000 1.485 242 K CA 0.079 56.384 56.287 0.030 0.000 1.006 242 K CB 0.446 32.935 32.500 -0.018 0.000 1.254 242 K HN 0.655 nan 8.250 nan 0.000 0.580 243 E N 0.176 120.427 120.200 0.085 0.000 2.375 243 E HA 0.303 4.653 4.350 0.001 0.000 0.280 243 E C -1.418 175.276 176.600 0.156 0.000 0.972 243 E CA -0.615 55.855 56.400 0.117 0.000 0.782 243 E CB 1.333 31.088 29.700 0.092 0.000 1.229 243 E HN 0.072 nan 8.360 nan 0.000 0.439 244 I N 4.029 124.714 120.570 0.192 0.000 2.382 244 I HA 0.438 4.608 4.170 0.001 0.000 0.285 244 I C 0.304 176.626 176.117 0.341 0.000 1.007 244 I CA -0.644 60.802 61.300 0.243 0.000 1.142 244 I CB 1.279 39.444 38.000 0.276 0.000 1.289 244 I HN 0.311 nan 8.210 nan 0.000 0.453 245 R N 3.454 124.126 120.500 0.288 0.000 2.606 245 R HA 0.259 4.600 4.340 0.001 0.000 0.249 245 R C 1.035 177.309 176.300 -0.043 0.000 1.127 245 R CA -0.737 55.544 56.100 0.303 0.000 1.133 245 R CB 1.234 31.635 30.300 0.167 0.000 1.243 245 R HN 0.580 nan 8.270 nan 0.000 0.558 246 E N 0.179 120.024 120.200 -0.592 0.000 2.204 246 E HA -0.183 4.167 4.350 0.001 0.000 0.195 246 E C 0.318 176.495 176.600 -0.705 0.000 0.990 246 E CA 1.198 56.959 56.400 -1.065 0.000 0.821 246 E CB 0.272 29.351 29.700 -1.035 0.000 0.750 246 E HN 0.450 nan 8.360 nan 0.000 0.477 247 H N -0.729 118.272 119.070 -0.115 0.000 2.885 247 H HA 0.236 4.792 4.556 0.001 0.000 0.254 247 H C -0.629 174.708 175.328 0.016 0.000 1.185 247 H CA 0.302 56.333 56.048 -0.028 0.000 1.029 247 H CB 0.506 30.252 29.762 -0.026 0.000 1.743 247 H HN 0.273 nan 8.280 nan 0.000 0.632 248 E N 0.542 120.809 120.200 0.110 0.000 2.392 248 E HA 0.333 4.683 4.350 0.001 0.000 0.281 248 E C -1.152 175.512 176.600 0.106 0.000 1.088 248 E CA -0.998 55.463 56.400 0.103 0.000 0.850 248 E CB 1.489 31.250 29.700 0.102 0.000 1.267 248 E HN 0.136 nan 8.360 nan 0.000 0.438 249 I N -0.389 120.235 120.570 0.091 0.000 2.404 249 I HA 0.731 4.901 4.170 0.001 0.000 0.293 249 I C -0.836 175.410 176.117 0.215 0.000 0.992 249 I CA -1.216 60.153 61.300 0.114 0.000 1.149 249 I CB 1.712 39.709 38.000 -0.005 0.000 1.315 249 I HN 0.337 nan 8.210 nan 0.000 0.446 250 V N 4.889 124.908 119.914 0.176 0.000 2.513 250 V HA 0.397 4.517 4.120 0.001 0.000 0.299 250 V C -0.130 175.936 176.094 -0.047 0.000 1.035 250 V CA -0.537 61.830 62.300 0.112 0.000 0.889 250 V CB 1.410 33.270 31.823 0.062 0.000 0.988 250 V HN 0.935 nan 8.190 nan 0.000 0.440 251 D N 2.233 122.415 120.400 -0.364 0.000 2.478 251 D HA 0.216 4.857 4.640 0.001 0.000 0.263 251 D C 0.765 176.903 176.300 -0.270 0.000 1.153 251 D CA -0.509 53.140 54.000 -0.584 0.000 1.038 251 D CB 1.419 41.422 40.800 -1.330 0.000 1.120 251 D HN 0.509 nan 8.370 nan 0.000 0.564 252 E N 0.084 120.157 120.200 -0.211 0.000 2.048 252 E HA -0.241 4.110 4.350 0.001 0.000 0.202 252 E C 1.753 178.298 176.600 -0.091 0.000 1.021 252 E CA 1.829 58.167 56.400 -0.105 0.000 0.825 252 E CB -0.195 29.462 29.700 -0.072 0.000 0.756 252 E HN 0.485 nan 8.360 nan 0.000 0.454 253 K N -0.493 119.839 120.400 -0.113 0.000 2.589 253 K HA -0.082 4.238 4.320 0.001 0.000 0.195 253 K C 1.130 177.696 176.600 -0.057 0.000 1.042 253 K CA 0.621 56.862 56.287 -0.076 0.000 0.940 253 K CB -0.194 32.260 32.500 -0.078 0.000 0.776 253 K HN 0.372 nan 8.250 nan 0.000 0.487 254 G N 1.129 109.889 108.800 -0.067 0.000 2.141 254 G HA2 -0.225 3.736 3.960 0.001 0.000 0.242 254 G HA3 -0.225 3.736 3.960 0.001 0.000 0.242 254 G C -0.399 174.492 174.900 -0.016 0.000 0.982 254 G CA -0.337 44.744 45.100 -0.031 0.000 0.662 254 G HN 0.284 nan 8.290 nan 0.000 0.527 255 N N 1.030 119.703 118.700 -0.045 0.000 2.530 255 N HA 0.520 5.260 4.740 0.001 0.000 0.277 255 N C 0.561 176.137 175.510 0.111 0.000 1.168 255 N CA 0.845 53.907 53.050 0.020 0.000 0.979 255 N CB 1.401 39.895 38.487 0.012 0.000 1.141 255 N HN 0.590 nan 8.380 nan 0.000 0.459 256 T N -1.736 112.916 114.554 0.164 0.000 2.932 256 T HA 0.740 5.090 4.350 0.001 0.000 0.289 256 T C -0.056 174.750 174.700 0.177 0.000 1.039 256 T CA -0.762 61.453 62.100 0.192 0.000 1.024 256 T CB 0.986 69.920 68.868 0.111 0.000 1.090 256 T HN 0.307 nan 8.240 nan 0.000 0.496 257 I N 2.242 122.865 120.570 0.088 0.000 2.512 257 I HA 0.355 4.526 4.170 0.001 0.000 0.287 257 I C -2.667 173.448 176.117 -0.002 0.000 1.069 257 I CA -2.841 58.432 61.300 -0.045 0.000 1.056 257 I CB 2.873 40.681 38.000 -0.319 0.000 1.229 257 I HN 0.455 nan 8.210 nan 0.000 0.429 258 P HA 0.164 nan 4.420 nan 0.000 0.267 258 P C -1.026 176.314 177.300 0.067 0.000 1.209 258 P CA -0.003 63.129 63.100 0.052 0.000 0.763 258 P CB 0.672 32.400 31.700 0.046 0.000 0.816 259 A N 3.116 125.997 122.820 0.100 0.000 2.509 259 A HA 0.310 4.630 4.320 0.001 0.000 0.282 259 A C 0.254 177.917 177.584 0.132 0.000 1.054 259 A CA -0.481 51.620 52.037 0.107 0.000 0.820 259 A CB 0.678 19.732 19.000 0.090 0.000 1.333 259 A HN 0.363 nan 8.150 nan 0.000 0.409 260 D N 1.242 121.747 120.400 0.176 0.000 2.271 260 D HA 0.147 4.788 4.640 0.001 0.000 0.206 260 D C 0.296 176.677 176.300 0.135 0.000 0.967 260 D CA 1.301 55.422 54.000 0.201 0.000 0.867 260 D CB 0.539 41.570 40.800 0.385 0.000 0.960 260 D HN 0.598 nan 8.370 nan 0.000 0.509 261 I N 0.812 121.420 120.570 0.063 0.000 2.447 261 I HA 0.151 4.321 4.170 0.001 0.000 0.287 261 I C -0.650 175.511 176.117 0.074 0.000 1.023 261 I CA -0.263 61.028 61.300 -0.016 0.000 1.083 261 I CB 2.346 40.117 38.000 -0.383 0.000 1.245 261 I HN -0.386 nan 8.210 nan 0.000 0.434 262 T N 7.130 121.838 114.554 0.257 0.000 2.788 262 T HA 0.537 4.888 4.350 0.001 0.000 0.296 262 T C -0.037 174.863 174.700 0.334 0.000 1.009 262 T CA -0.268 62.002 62.100 0.282 0.000 0.949 262 T CB 0.609 69.658 68.868 0.302 0.000 0.946 262 T HN 0.274 nan 8.240 nan 0.000 0.453 263 I N 4.693 125.400 120.570 0.229 0.000 2.291 263 I HA 0.416 4.586 4.170 0.001 0.000 0.290 263 I C -0.539 175.707 176.117 0.214 0.000 1.050 263 I CA -0.710 60.709 61.300 0.199 0.000 1.245 263 I CB 0.889 38.932 38.000 0.072 0.000 1.405 263 I HN 0.325 nan 8.210 nan 0.000 0.478 264 L N 7.609 129.008 121.223 0.292 0.000 2.365 264 L HA 0.548 4.889 4.340 0.001 0.000 0.273 264 L C -1.236 175.729 176.870 0.158 0.000 1.000 264 L CA -0.402 54.600 54.840 0.271 0.000 0.819 264 L CB 2.002 44.321 42.059 0.435 0.000 1.284 264 L HN 0.491 nan 8.230 nan 0.000 0.418 265 L N 7.494 128.770 121.223 0.088 0.000 2.270 265 L HA 0.504 4.845 4.340 0.001 0.000 0.286 265 L C -2.040 174.852 176.870 0.038 0.000 1.059 265 L CA -1.738 53.135 54.840 0.056 0.000 0.839 265 L CB 1.074 43.173 42.059 0.067 0.000 1.221 265 L HN 0.565 nan 8.230 nan 0.000 0.431 266 P HA 0.044 nan 4.420 nan 0.000 0.270 266 P C -2.562 174.742 177.300 0.007 0.000 1.221 266 P CA -0.879 62.111 63.100 -0.184 0.000 0.788 266 P CB -0.354 31.065 31.700 -0.468 0.000 0.904 267 P HA 0.088 nan 4.420 nan 0.000 0.271 267 P C -0.996 176.472 177.300 0.280 0.000 1.218 267 P CA 0.395 63.646 63.100 0.251 0.000 0.780 267 P CB 0.098 31.999 31.700 0.335 0.000 0.901 268 Y N 1.173 121.635 120.300 0.270 0.000 2.335 268 Y HA 0.435 4.985 4.550 0.001 0.000 0.339 268 Y C 1.093 177.334 175.900 0.568 0.000 0.987 268 Y CA 0.340 58.624 58.100 0.307 0.000 1.140 268 Y CB 0.888 39.438 38.460 0.150 0.000 1.173 268 Y HN 0.333 nan 8.280 nan 0.000 0.486 269 T N -0.126 114.727 114.554 0.498 0.000 2.887 269 T HA 0.749 5.100 4.350 0.001 0.000 0.292 269 T C 0.244 175.057 174.700 0.188 0.000 1.087 269 T CA -0.924 61.412 62.100 0.394 0.000 1.009 269 T CB 1.436 70.394 68.868 0.150 0.000 1.203 269 T HN 0.769 nan 8.240 nan 0.000 0.518 270 G N 0.843 109.515 108.800 -0.215 0.000 2.594 270 G HA2 0.272 4.233 3.960 0.001 0.000 0.243 270 G HA3 0.272 4.233 3.960 0.001 0.000 0.243 270 G C 0.094 174.815 174.900 -0.297 0.000 1.229 270 G CA -0.574 44.100 45.100 -0.710 0.000 0.843 270 G HN 0.853 nan 8.290 nan 0.000 0.578 271 N N 1.715 120.263 118.700 -0.254 0.000 2.447 271 N HA 0.067 4.807 4.740 0.001 0.000 0.263 271 N C -1.055 174.348 175.510 -0.179 0.000 1.226 271 N CA -1.683 51.288 53.050 -0.131 0.000 0.906 271 N CB 1.602 40.051 38.487 -0.064 0.000 1.060 271 N HN 0.031 nan 8.380 nan 0.000 0.468 272 P HA -0.155 nan 4.420 nan 0.000 0.216 272 P C 0.757 177.979 177.300 -0.130 0.000 1.150 272 P CA 1.460 64.437 63.100 -0.206 0.000 0.843 272 P CB 0.023 31.572 31.700 -0.251 0.000 0.787 273 A N -0.611 122.152 122.820 -0.094 0.000 2.019 273 A HA -0.131 4.189 4.320 0.001 0.000 0.219 273 A C 2.261 179.814 177.584 -0.053 0.000 1.164 273 A CA 1.306 53.311 52.037 -0.053 0.000 0.644 273 A CB -1.428 17.561 19.000 -0.018 0.000 0.805 273 A HN 0.168 nan 8.150 nan 0.000 0.449 274 L N -1.645 119.534 121.223 -0.074 0.000 2.307 274 L HA 0.001 4.341 4.340 0.001 0.000 0.211 274 L C 2.320 179.139 176.870 -0.084 0.000 1.099 274 L CA 0.724 55.523 54.840 -0.070 0.000 0.816 274 L CB -0.278 41.732 42.059 -0.082 0.000 0.952 274 L HN 0.310 nan 8.230 nan 0.000 0.455 275 K N 0.267 120.600 120.400 -0.112 0.000 2.155 275 K HA -0.046 4.275 4.320 0.001 0.000 0.203 275 K C 1.077 177.629 176.600 -0.080 0.000 1.052 275 K CA 0.813 57.038 56.287 -0.104 0.000 0.948 275 K CB 0.054 32.477 32.500 -0.128 0.000 0.728 275 K HN 0.260 nan 8.250 nan 0.000 0.448 276 N N 0.374 119.026 118.700 -0.081 0.000 2.314 276 N HA 0.045 4.786 4.740 0.001 0.000 0.200 276 N C -0.165 175.299 175.510 -0.075 0.000 1.135 276 N CA 0.172 53.175 53.050 -0.079 0.000 0.835 276 N CB 0.667 39.103 38.487 -0.085 0.000 0.989 276 N HN -0.047 nan 8.380 nan 0.000 0.478 277 S N -0.266 115.399 115.700 -0.059 0.000 2.694 277 S HA 0.237 4.707 4.470 0.001 0.000 0.278 277 S C 0.361 174.932 174.600 -0.047 0.000 1.152 277 S CA -0.495 57.675 58.200 -0.049 0.000 1.010 277 S CB 0.720 63.901 63.200 -0.031 0.000 1.104 277 S HN 0.093 nan 8.310 nan 0.000 0.547 278 T N 4.317 118.838 114.554 -0.054 0.000 2.656 278 T HA 0.016 4.367 4.350 0.001 0.000 0.263 278 T C -1.692 173.014 174.700 0.010 0.000 1.017 278 T CA -0.417 61.658 62.100 -0.041 0.000 1.216 278 T CB -0.106 68.689 68.868 -0.122 0.000 0.989 278 T HN 0.361 nan 8.240 nan 0.000 0.507 279 P HA -0.163 nan 4.420 nan 0.000 0.218 279 P C 1.112 178.449 177.300 0.063 0.000 1.152 279 P CA 1.178 64.295 63.100 0.028 0.000 0.857 279 P CB 0.072 31.785 31.700 0.021 0.000 0.787 280 D N -1.693 118.774 120.400 0.112 0.000 2.336 280 D HA -0.013 4.628 4.640 0.001 0.000 0.228 280 D C 1.367 177.809 176.300 0.238 0.000 1.120 280 D CA -0.076 54.010 54.000 0.143 0.000 0.839 280 D CB -0.677 40.194 40.800 0.118 0.000 0.932 280 D HN 0.117 nan 8.370 nan 0.000 0.509 281 L N 0.519 121.872 121.223 0.216 0.000 2.298 281 L HA 0.203 4.544 4.340 0.001 0.000 0.209 281 L C 0.462 177.409 176.870 0.129 0.000 1.084 281 L CA 0.519 55.495 54.840 0.225 0.000 0.816 281 L CB 0.270 42.372 42.059 0.072 0.000 0.967 281 L HN 0.045 nan 8.230 nan 0.000 0.460 282 V N -1.619 118.345 119.914 0.084 0.000 2.975 282 V HA 0.614 4.734 4.120 0.001 0.000 0.318 282 V C -0.490 175.644 176.094 0.066 0.000 1.077 282 V CA -0.639 61.699 62.300 0.064 0.000 1.000 282 V CB 1.322 33.156 31.823 0.019 0.000 1.066 282 V HN 0.370 nan 8.190 nan 0.000 0.452 283 D N 0.637 121.085 120.400 0.080 0.000 2.506 283 D HA 0.202 4.842 4.640 0.001 0.000 0.272 283 D C 0.816 177.154 176.300 0.064 0.000 1.214 283 D CA -0.007 54.040 54.000 0.078 0.000 1.067 283 D CB 0.281 41.138 40.800 0.096 0.000 1.117 283 D HN 0.706 nan 8.370 nan 0.000 0.578 284 D N -1.278 119.161 120.400 0.065 0.000 2.351 284 D HA -0.097 4.544 4.640 0.001 0.000 0.216 284 D C 1.570 177.905 176.300 0.060 0.000 0.968 284 D CA 0.964 54.997 54.000 0.056 0.000 0.899 284 D CB -0.530 40.311 40.800 0.068 0.000 0.907 284 D HN 0.561 nan 8.370 nan 0.000 0.514 285 G N -0.218 108.643 108.800 0.102 0.000 2.662 285 G HA2 0.288 4.248 3.960 0.001 0.000 0.212 285 G HA3 0.288 4.248 3.960 0.001 0.000 0.212 285 G C 1.260 176.109 174.900 -0.086 0.000 1.141 285 G CA 0.317 45.508 45.100 0.153 0.000 0.797 285 G HN 0.641 nan 8.290 nan 0.000 0.531 286 G N -1.283 107.436 108.800 -0.134 0.000 2.143 286 G HA2 -0.164 3.796 3.960 0.001 0.000 0.175 286 G HA3 -0.164 3.796 3.960 0.001 0.000 0.175 286 G C -0.073 174.563 174.900 -0.441 0.000 1.004 286 G CA -0.340 44.577 45.100 -0.304 0.000 0.671 286 G HN 0.278 nan 8.290 nan 0.000 0.512 287 F N -0.009 119.972 119.950 0.052 0.000 2.507 287 F HA 0.728 5.255 4.527 0.001 0.000 0.327 287 F C 0.875 176.700 175.800 0.043 0.000 1.068 287 F CA -1.365 56.672 58.000 0.062 0.000 0.965 287 F CB 1.319 40.367 39.000 0.080 0.000 1.192 287 F HN -0.077 nan 8.300 nan 0.000 0.476 288 I N 4.788 125.492 120.570 0.222 0.000 2.291 288 I HA 0.237 4.407 4.170 0.001 0.000 0.290 288 I C -2.276 173.907 176.117 0.110 0.000 1.050 288 I CA -1.978 59.403 61.300 0.134 0.000 1.245 288 I CB 0.804 38.866 38.000 0.103 0.000 1.405 288 I HN 0.184 nan 8.210 nan 0.000 0.478 289 P HA 0.159 nan 4.420 nan 0.000 0.276 289 P C -0.324 176.986 177.300 0.017 0.000 1.230 289 P CA -0.014 63.113 63.100 0.046 0.000 0.776 289 P CB 1.276 33.000 31.700 0.040 0.000 0.888 290 T N -0.703 113.842 114.554 -0.015 0.000 2.669 290 T HA 0.581 4.931 4.350 0.001 0.000 0.283 290 T C -0.581 174.077 174.700 -0.070 0.000 1.019 290 T CA -0.690 61.382 62.100 -0.046 0.000 1.039 290 T CB 1.069 69.905 68.868 -0.053 0.000 1.374 290 T HN 0.352 nan 8.240 nan 0.000 0.523 291 D N -0.125 120.219 120.400 -0.094 0.000 2.549 291 D HA 0.329 4.969 4.640 0.001 0.000 0.270 291 D C 1.319 177.552 176.300 -0.112 0.000 1.181 291 D CA -1.125 52.816 54.000 -0.099 0.000 1.070 291 D CB 0.015 40.753 40.800 -0.102 0.000 1.154 291 D HN 0.481 nan 8.370 nan 0.000 0.602 292 L N -0.591 120.577 121.223 -0.092 0.000 2.549 292 L HA -0.019 4.322 4.340 0.001 0.000 0.229 292 L C 1.146 177.986 176.870 -0.050 0.000 1.158 292 L CA 0.531 55.337 54.840 -0.055 0.000 0.842 292 L CB -0.579 41.487 42.059 0.013 0.000 0.952 292 L HN 0.315 nan 8.230 nan 0.000 0.452 293 N N -0.176 118.449 118.700 -0.125 0.000 2.280 293 N HA 0.046 4.786 4.740 0.001 0.000 0.192 293 N C 0.730 176.187 175.510 -0.089 0.000 1.109 293 N CA 0.187 53.115 53.050 -0.203 0.000 0.855 293 N CB 0.776 38.869 38.487 -0.657 0.000 0.974 293 N HN 0.122 nan 8.380 nan 0.000 0.482 294 M N -1.357 118.205 119.600 -0.063 0.000 3.000 294 M HA -0.144 4.337 4.480 0.001 0.000 0.210 294 M C -0.685 175.598 176.300 -0.029 0.000 0.585 294 M CA 0.315 55.634 55.300 0.031 0.000 0.798 294 M CB -2.433 30.275 32.600 0.181 0.000 2.852 294 M HN -0.241 nan 8.290 nan 0.000 0.310 295 V N 0.859 120.634 119.914 -0.231 0.000 2.498 295 V HA 0.406 4.527 4.120 0.001 0.000 0.279 295 V C 1.297 177.278 176.094 -0.190 0.000 1.048 295 V CA -0.194 61.862 62.300 -0.406 0.000 0.967 295 V CB 1.650 33.212 31.823 -0.435 0.000 0.988 295 V HN 0.499 nan 8.190 nan 0.000 0.473 296 S N 4.051 119.673 115.700 -0.129 0.000 2.558 296 S HA 0.027 4.498 4.470 0.001 0.000 0.291 296 S C 1.251 175.827 174.600 -0.039 0.000 1.306 296 S CA -0.015 58.173 58.200 -0.021 0.000 1.056 296 S CB 0.080 63.331 63.200 0.086 0.000 0.836 296 S HN 0.647 nan 8.310 nan 0.000 0.504 297 I N 1.219 121.773 120.570 -0.027 0.000 3.176 297 I HA 0.200 4.370 4.170 0.001 0.000 0.275 297 I C 1.736 177.801 176.117 -0.086 0.000 1.298 297 I CA 0.795 62.064 61.300 -0.051 0.000 1.445 297 I CB -0.158 37.819 38.000 -0.038 0.000 1.075 297 I HN 0.450 nan 8.210 nan 0.000 0.482 298 K N 0.724 121.059 120.400 -0.108 0.000 2.344 298 K HA 0.228 4.549 4.320 0.001 0.000 0.200 298 K C -0.337 175.919 176.600 -0.573 0.000 1.132 298 K CA 0.550 56.635 56.287 -0.337 0.000 0.935 298 K CB 0.223 32.499 32.500 -0.373 0.000 1.089 298 K HN 0.302 nan 8.250 nan 0.000 0.496 299 Y N 1.980 122.280 120.300 -0.000 0.000 2.388 299 Y HA 0.152 4.703 4.550 0.001 0.000 0.328 299 Y C 0.115 176.013 175.900 -0.003 0.000 0.963 299 Y CA -1.269 56.840 58.100 0.015 0.000 1.240 299 Y CB 1.271 39.759 38.460 0.046 0.000 1.118 299 Y HN 0.161 nan 8.280 nan 0.000 0.484 300 D N 0.490 120.940 120.400 0.082 0.000 2.403 300 D HA -0.189 4.451 4.640 0.001 0.000 0.227 300 D C 0.527 176.884 176.300 0.096 0.000 0.995 300 D CA 1.037 55.067 54.000 0.050 0.000 0.928 300 D CB -0.104 40.728 40.800 0.054 0.000 0.887 300 D HN 0.598 nan 8.370 nan 0.000 0.529 301 N N 0.074 118.878 118.700 0.173 0.000 2.200 301 N HA 0.020 4.761 4.740 0.001 0.000 0.224 301 N C -0.708 174.966 175.510 0.273 0.000 1.179 301 N CA -0.336 52.895 53.050 0.302 0.000 0.877 301 N CB 0.543 39.133 38.487 0.172 0.000 1.072 301 N HN -0.011 nan 8.380 nan 0.000 0.519 302 V N 1.813 121.793 119.914 0.110 0.000 2.384 302 V HA 0.387 4.507 4.120 0.001 0.000 0.287 302 V C -1.094 174.961 176.094 -0.065 0.000 1.020 302 V CA -0.640 61.696 62.300 0.060 0.000 0.850 302 V CB 0.647 32.518 31.823 0.080 0.000 0.987 302 V HN 0.062 nan 8.190 nan 0.000 0.436 303 Y N 2.507 122.834 120.300 0.045 0.000 2.377 303 Y HA 0.747 5.297 4.550 0.001 0.000 0.339 303 Y C 0.388 176.298 175.900 0.017 0.000 1.011 303 Y CA -0.591 57.528 58.100 0.032 0.000 1.093 303 Y CB 2.083 40.561 38.460 0.030 0.000 1.201 303 Y HN 0.682 nan 8.280 nan 0.000 0.455 304 A N 2.922 125.838 122.820 0.161 0.000 2.343 304 A HA 0.819 5.139 4.320 0.001 0.000 0.316 304 A C -1.040 176.611 177.584 0.112 0.000 1.104 304 A CA -0.642 51.465 52.037 0.116 0.000 0.768 304 A CB 0.684 19.739 19.000 0.092 0.000 1.213 304 A HN 0.731 nan 8.150 nan 0.000 0.456 305 V N 0.356 120.335 119.914 0.109 0.000 3.040 305 V HA 0.984 5.105 4.120 0.001 0.000 0.312 305 V C 0.634 176.797 176.094 0.114 0.000 1.115 305 V CA 0.191 62.553 62.300 0.104 0.000 0.998 305 V CB 0.823 32.709 31.823 0.104 0.000 1.042 305 V HN 2.761 nan 8.190 nan 0.000 0.433 306 G N 2.456 111.323 108.800 0.111 0.000 2.566 306 G HA2 -0.290 3.670 3.960 0.001 0.000 0.280 306 G HA3 -0.290 3.670 3.960 0.001 0.000 0.280 306 G C 0.258 175.229 174.900 0.118 0.000 1.225 306 G CA 0.917 46.087 45.100 0.118 0.000 0.966 306 G HN 1.036 nan 8.290 nan 0.000 0.560 307 D N 0.539 121.028 120.400 0.149 0.000 2.182 307 D HA 0.096 4.736 4.640 0.001 0.000 0.201 307 D C 2.725 179.211 176.300 0.309 0.000 0.986 307 D CA 2.274 56.392 54.000 0.197 0.000 0.847 307 D CB -0.652 40.292 40.800 0.240 0.000 0.942 307 D HN 0.885 nan 8.370 nan 0.000 0.467 308 A N 0.190 123.170 122.820 0.267 0.000 2.067 308 A HA -0.120 4.201 4.320 0.001 0.000 0.219 308 A C 1.333 179.108 177.584 0.319 0.000 1.158 308 A CA 0.357 52.571 52.037 0.296 0.000 0.661 308 A CB -0.304 18.796 19.000 0.166 0.000 0.801 308 A HN 0.125 nan 8.150 nan 0.000 0.452 309 N N 0.014 118.841 118.700 0.211 0.000 2.514 309 N HA 0.137 4.878 4.740 0.001 0.000 0.277 309 N C 0.769 176.343 175.510 0.106 0.000 1.126 309 N CA 0.406 53.539 53.050 0.138 0.000 0.978 309 N CB 1.244 39.764 38.487 0.055 0.000 1.106 309 N HN 0.106 nan 8.380 nan 0.000 0.461 310 S N 2.801 118.555 115.700 0.090 0.000 2.399 310 S HA -0.177 4.293 4.470 0.001 0.000 0.231 310 S C 1.754 176.316 174.600 -0.064 0.000 1.022 310 S CA 1.375 59.577 58.200 0.003 0.000 0.983 310 S CB -0.205 63.020 63.200 0.042 0.000 0.803 310 S HN 0.831 nan 8.310 nan 0.000 0.480 311 M N 1.471 121.045 119.600 -0.044 0.000 2.562 311 M HA 0.067 4.547 4.480 0.001 0.000 0.257 311 M C 0.658 176.961 176.300 0.005 0.000 1.099 311 M CA 0.740 56.023 55.300 -0.028 0.000 1.099 311 M CB -0.920 31.630 32.600 -0.084 0.000 1.427 311 M HN 0.107 nan 8.290 nan 0.000 0.489 312 T N 0.859 115.398 114.554 -0.026 0.000 3.474 312 T HA 0.497 4.847 4.350 0.001 0.000 0.270 312 T C -0.316 174.328 174.700 -0.093 0.000 1.079 312 T CA -0.568 61.520 62.100 -0.019 0.000 1.110 312 T CB -0.690 68.166 68.868 -0.020 0.000 1.087 312 T HN 0.173 nan 8.240 nan 0.000 0.784 313 V N 4.630 124.506 119.914 -0.064 0.000 2.524 313 V HA 0.419 4.539 4.120 0.001 0.000 0.297 313 V C -2.331 173.707 176.094 -0.094 0.000 1.035 313 V CA -2.068 60.172 62.300 -0.099 0.000 0.867 313 V CB 1.803 33.629 31.823 0.005 0.000 1.004 313 V HN 0.529 nan 8.190 nan 0.000 0.426 314 P HA 0.203 nan 4.420 nan 0.000 0.273 314 P C -0.542 176.580 177.300 -0.297 0.000 1.250 314 P CA -0.494 62.452 63.100 -0.257 0.000 0.793 314 P CB 0.523 32.086 31.700 -0.230 0.000 1.011 315 K N 1.675 121.832 120.400 -0.406 0.000 2.127 315 K HA 0.250 4.571 4.320 0.001 0.000 0.261 315 K C -0.441 176.016 176.600 -0.237 0.000 1.129 315 K CA 0.178 56.278 56.287 -0.312 0.000 0.993 315 K CB -0.958 31.309 32.500 -0.388 0.000 1.410 315 K HN 0.402 nan 8.250 nan 0.000 0.380 316 L N 0.304 121.360 121.223 -0.279 0.000 2.322 316 L HA 0.299 4.639 4.340 0.001 0.000 0.281 316 L C 1.739 178.386 176.870 -0.372 0.000 1.014 316 L CA -0.534 54.079 54.840 -0.378 0.000 0.815 316 L CB 1.810 43.444 42.059 -0.708 0.000 1.247 316 L HN 0.584 nan 8.230 nan 0.000 0.421 317 G N 1.827 110.411 108.800 -0.360 0.000 2.505 317 G HA2 -0.348 3.612 3.960 0.001 0.000 0.220 317 G HA3 -0.348 3.612 3.960 0.001 0.000 0.220 317 G C 1.213 175.905 174.900 -0.348 0.000 1.145 317 G CA 1.616 46.391 45.100 -0.541 0.000 0.761 317 G HN 0.837 nan 8.290 nan 0.000 0.571 318 Y N -0.341 119.830 120.300 -0.215 0.000 2.457 318 Y HA 0.339 4.889 4.550 0.001 0.000 0.292 318 Y C 2.225 178.106 175.900 -0.031 0.000 1.125 318 Y CA 0.190 58.223 58.100 -0.111 0.000 1.254 318 Y CB -0.346 38.055 38.460 -0.099 0.000 1.012 318 Y HN 0.113 nan 8.280 nan 0.000 0.555 319 L N 0.298 121.313 121.223 -0.346 0.000 2.179 319 L HA 0.009 4.350 4.340 0.001 0.000 0.208 319 L C 2.795 179.692 176.870 0.045 0.000 1.096 319 L CA 0.844 55.618 54.840 -0.109 0.000 0.779 319 L CB -0.642 41.304 42.059 -0.188 0.000 0.922 319 L HN 0.439 nan 8.230 nan 0.000 0.443 320 A N -0.057 122.765 122.820 0.004 0.000 1.877 320 A HA -0.155 4.166 4.320 0.001 0.000 0.216 320 A C 2.281 179.960 177.584 0.159 0.000 1.186 320 A CA 1.736 53.835 52.037 0.103 0.000 0.620 320 A CB -0.767 18.321 19.000 0.146 0.000 0.822 320 A HN 0.181 nan 8.150 nan 0.000 0.443 321 V N -0.520 119.491 119.914 0.162 0.000 2.343 321 V HA -0.293 3.828 4.120 0.001 0.000 0.247 321 V C 2.562 178.751 176.094 0.159 0.000 1.051 321 V CA 2.365 64.777 62.300 0.186 0.000 1.036 321 V CB -0.733 31.203 31.823 0.189 0.000 0.654 321 V HN 0.669 nan 8.190 nan 0.000 0.451 322 M N 1.537 121.236 119.600 0.165 0.000 2.067 322 M HA -0.173 4.308 4.480 0.001 0.000 0.260 322 M C 2.428 178.848 176.300 0.200 0.000 1.069 322 M CA 2.810 58.220 55.300 0.184 0.000 1.117 322 M CB -1.041 31.686 32.600 0.213 0.000 1.334 322 M HN 0.554 nan 8.290 nan 0.000 0.407 323 T N -2.518 112.160 114.554 0.207 0.000 2.788 323 T HA -0.018 4.332 4.350 0.001 0.000 0.268 323 T C 2.035 176.808 174.700 0.122 0.000 1.044 323 T CA 1.367 63.563 62.100 0.160 0.000 1.139 323 T CB -1.749 67.186 68.868 0.111 0.000 0.867 323 T HN 0.488 nan 8.240 nan 0.000 0.454 324 G N 1.474 110.348 108.800 0.124 0.000 2.446 324 G HA2 -0.201 3.760 3.960 0.001 0.000 0.217 324 G HA3 -0.201 3.760 3.960 0.001 0.000 0.217 324 G C 1.900 176.845 174.900 0.075 0.000 1.168 324 G CA 0.554 45.714 45.100 0.100 0.000 0.771 324 G HN 0.504 nan 8.290 nan 0.000 0.551 325 R N -0.268 120.288 120.500 0.093 0.000 2.070 325 R HA 0.002 4.342 4.340 0.001 0.000 0.233 325 R C 2.656 178.998 176.300 0.069 0.000 1.137 325 R CA 1.276 57.423 56.100 0.077 0.000 0.945 325 R CB -0.494 29.860 30.300 0.090 0.000 0.845 325 R HN 0.372 nan 8.270 nan 0.000 0.430 326 I N 0.834 121.464 120.570 0.101 0.000 2.118 326 I HA -0.344 3.827 4.170 0.001 0.000 0.241 326 I C 2.647 178.814 176.117 0.084 0.000 1.070 326 I CA 1.679 63.046 61.300 0.112 0.000 1.327 326 I CB -0.452 37.633 38.000 0.143 0.000 1.034 326 I HN 0.218 nan 8.210 nan 0.000 0.405 327 A N 0.477 123.326 122.820 0.048 0.000 1.892 327 A HA -0.279 4.041 4.320 0.001 0.000 0.218 327 A C 2.508 179.930 177.584 -0.270 0.000 1.188 327 A CA 2.384 54.371 52.037 -0.084 0.000 0.631 327 A CB -1.197 17.760 19.000 -0.072 0.000 0.822 327 A HN 0.471 nan 8.150 nan 0.000 0.447 328 A N -1.061 121.669 122.820 -0.149 0.000 1.972 328 A HA -0.179 4.142 4.320 0.001 0.000 0.219 328 A C 2.104 179.632 177.584 -0.093 0.000 1.169 328 A CA 1.691 53.642 52.037 -0.143 0.000 0.635 328 A CB -0.473 18.488 19.000 -0.064 0.000 0.810 328 A HN 0.700 nan 8.150 nan 0.000 0.446 329 Q N -1.741 118.048 119.800 -0.019 0.000 2.137 329 Q HA -0.104 4.236 4.340 0.001 0.000 0.198 329 Q C 2.138 178.154 176.000 0.026 0.000 0.960 329 Q CA 1.087 56.897 55.803 0.012 0.000 0.847 329 Q CB -0.303 28.466 28.738 0.052 0.000 0.915 329 Q HN 0.869 nan 8.270 nan 0.000 0.448 330 H N 0.692 119.746 119.070 -0.027 0.000 2.353 330 H HA -0.121 4.435 4.556 0.001 0.000 0.300 330 H C 2.059 177.375 175.328 -0.020 0.000 1.090 330 H CA 1.251 57.315 56.048 0.027 0.000 1.327 330 H CB 0.201 30.050 29.762 0.146 0.000 1.383 330 H HN 0.195 nan 8.280 nan 0.000 0.508 331 L N 1.323 122.479 121.223 -0.110 0.000 2.017 331 L HA -0.072 4.268 4.340 0.001 0.000 0.208 331 L C 2.784 179.516 176.870 -0.230 0.000 1.073 331 L CA 2.033 56.715 54.840 -0.265 0.000 0.745 331 L CB -1.337 40.424 42.059 -0.497 0.000 0.894 331 L HN 0.306 nan 8.230 nan 0.000 0.432 332 A N -0.424 122.299 122.820 -0.163 0.000 1.917 332 A HA -0.289 4.031 4.320 0.001 0.000 0.219 332 A C 2.202 179.726 177.584 -0.100 0.000 1.182 332 A CA 2.127 54.098 52.037 -0.110 0.000 0.633 332 A CB -0.908 18.051 19.000 -0.068 0.000 0.819 332 A HN 0.662 nan 8.150 nan 0.000 0.448 333 N N -0.617 118.014 118.700 -0.115 0.000 2.120 333 N HA -0.144 4.597 4.740 0.001 0.000 0.188 333 N C 1.944 177.384 175.510 -0.117 0.000 1.024 333 N CA 1.385 54.370 53.050 -0.109 0.000 0.852 333 N CB -0.283 38.123 38.487 -0.135 0.000 1.003 333 N HN 0.517 nan 8.380 nan 0.000 0.424 334 R N 0.651 121.048 120.500 -0.171 0.000 2.096 334 R HA 0.022 4.362 4.340 0.001 0.000 0.235 334 R C 1.530 177.796 176.300 -0.057 0.000 1.127 334 R CA 0.699 56.727 56.100 -0.120 0.000 0.968 334 R CB -0.114 30.093 30.300 -0.156 0.000 0.861 334 R HN 0.222 nan 8.270 nan 0.000 0.440 335 L N 0.107 121.282 121.223 -0.080 0.000 2.672 335 L HA 0.195 4.536 4.340 0.001 0.000 0.236 335 L C 0.795 177.657 176.870 -0.013 0.000 1.186 335 L CA 0.213 55.036 54.840 -0.027 0.000 0.977 335 L CB -0.006 42.026 42.059 -0.044 0.000 1.203 335 L HN 0.447 nan 8.230 nan 0.000 0.448 336 G N 0.401 109.189 108.800 -0.020 0.000 2.143 336 G HA2 -0.246 3.714 3.960 0.001 0.000 0.248 336 G HA3 -0.246 3.714 3.960 0.001 0.000 0.248 336 G C 0.104 174.996 174.900 -0.014 0.000 0.991 336 G CA 0.075 45.169 45.100 -0.011 0.000 0.689 336 G HN 0.192 nan 8.290 nan 0.000 0.522 337 V N 1.565 121.465 119.914 -0.025 0.000 2.250 337 V HA 0.329 4.450 4.120 0.001 0.000 0.268 337 V C -1.828 174.253 176.094 -0.022 0.000 1.043 337 V CA -1.691 60.597 62.300 -0.020 0.000 0.814 337 V CB 1.344 33.155 31.823 -0.020 0.000 1.072 337 V HN 0.125 nan 8.190 nan 0.000 0.451 338 P HA 0.059 nan 4.420 nan 0.000 0.255 338 P C -0.083 177.213 177.300 -0.007 0.000 1.161 338 P CA 0.995 64.088 63.100 -0.011 0.000 0.768 338 P CB 0.156 31.853 31.700 -0.004 0.000 0.746 339 T N 3.119 117.669 114.554 -0.006 0.000 2.916 339 T HA 0.262 4.612 4.350 0.001 0.000 0.305 339 T C -0.604 174.107 174.700 0.019 0.000 1.119 339 T CA -0.915 61.188 62.100 0.004 0.000 1.008 339 T CB 1.695 70.562 68.868 -0.002 0.000 1.129 339 T HN 0.205 nan 8.240 nan 0.000 0.480 340 K N 2.440 122.857 120.400 0.029 0.000 2.322 340 K HA 0.416 4.736 4.320 0.001 0.000 0.283 340 K C -0.784 175.853 176.600 0.061 0.000 1.042 340 K CA -0.320 55.994 56.287 0.044 0.000 0.958 340 K CB 0.465 32.990 32.500 0.042 0.000 0.984 340 K HN 0.356 nan 8.250 nan 0.000 0.473 341 V N 5.173 125.137 119.914 0.082 0.000 2.333 341 V HA 0.050 4.171 4.120 0.001 0.000 0.274 341 V C -0.247 175.915 176.094 0.115 0.000 1.028 341 V CA -0.929 61.437 62.300 0.111 0.000 0.851 341 V CB 0.933 32.849 31.823 0.156 0.000 1.000 341 V HN 0.791 nan 8.190 nan 0.000 0.456 342 D N 4.299 124.770 120.400 0.118 0.000 2.478 342 D HA 0.079 4.720 4.640 0.001 0.000 0.234 342 D C 0.354 176.757 176.300 0.171 0.000 1.154 342 D CA 0.273 54.354 54.000 0.136 0.000 0.874 342 D CB 0.721 41.602 40.800 0.135 0.000 1.198 342 D HN 0.317 nan 8.370 nan 0.000 0.455 343 K N 1.576 122.094 120.400 0.197 0.000 2.205 343 K HA 0.138 4.459 4.320 0.001 0.000 0.279 343 K C -0.309 176.466 176.600 0.292 0.000 1.027 343 K CA -0.534 55.875 56.287 0.203 0.000 0.932 343 K CB 0.794 33.379 32.500 0.142 0.000 1.032 343 K HN 0.453 nan 8.250 nan 0.000 0.466 344 Y N 2.545 122.933 120.300 0.146 0.000 2.313 344 Y HA 0.213 4.763 4.550 0.001 0.000 0.332 344 Y C -1.098 174.883 175.900 0.136 0.000 1.071 344 Y CA -0.370 57.842 58.100 0.188 0.000 1.169 344 Y CB 0.559 39.115 38.460 0.160 0.000 1.192 344 Y HN 0.416 nan 8.280 nan 0.000 0.487 345 Y N 6.881 126.747 120.300 -0.724 0.000 2.468 345 Y HA 0.487 5.038 4.550 0.001 0.000 0.342 345 Y C -2.075 173.220 175.900 -1.009 0.000 1.021 345 Y CA -2.561 55.134 58.100 -0.675 0.000 1.079 345 Y CB 1.414 39.650 38.460 -0.374 0.000 1.226 345 Y HN 0.554 nan 8.280 nan 0.000 0.460 346 P HA 0.091 nan 4.420 nan 0.000 0.276 346 P C 0.568 177.727 177.300 -0.235 0.000 1.252 346 P CA -0.210 62.639 63.100 -0.419 0.000 0.802 346 P CB 1.103 32.546 31.700 -0.429 0.000 1.035 347 T N -2.190 112.285 114.554 -0.131 0.000 2.904 347 T HA -0.072 4.278 4.350 0.001 0.000 0.267 347 T C 1.363 176.031 174.700 -0.053 0.000 1.059 347 T CA 0.902 62.974 62.100 -0.047 0.000 1.137 347 T CB -0.506 68.376 68.868 0.023 0.000 0.879 347 T HN 0.332 nan 8.240 nan 0.000 0.467 348 I N -0.580 119.948 120.570 -0.069 0.000 4.556 348 I HA -0.229 3.942 4.170 0.001 0.000 0.051 348 I C 0.318 176.406 176.117 -0.050 0.000 0.616 348 I CA 1.591 62.856 61.300 -0.058 0.000 0.936 348 I CB -2.247 35.720 38.000 -0.054 0.000 0.846 348 I HN 0.565 nan 8.210 nan 0.000 0.161 349 V N -2.079 117.809 119.914 -0.043 0.000 3.048 349 V HA 0.601 4.721 4.120 0.001 0.000 0.303 349 V C -0.265 175.812 176.094 -0.029 0.000 1.214 349 V CA -1.132 61.140 62.300 -0.048 0.000 0.984 349 V CB 2.025 33.817 31.823 -0.053 0.000 1.054 349 V HN 0.302 nan 8.190 nan 0.000 0.430 350 C N 2.900 122.175 119.300 -0.041 0.000 2.373 350 C HA 0.388 4.848 4.460 0.001 0.000 0.354 350 C C 2.160 177.141 174.990 -0.016 0.000 1.249 350 C CA 0.229 59.237 59.018 -0.017 0.000 1.784 350 C CB 0.241 27.954 27.740 -0.044 0.000 2.408 350 C HN 1.108 nan 8.230 nan 0.000 0.542 351 V N 2.751 122.664 119.914 -0.001 0.000 2.828 351 V HA -0.139 3.982 4.120 0.001 0.000 0.260 351 V C 2.051 178.161 176.094 0.028 0.000 1.101 351 V CA 2.256 64.554 62.300 -0.002 0.000 1.123 351 V CB -1.059 30.750 31.823 -0.023 0.000 0.704 351 V HN 0.919 nan 8.190 nan 0.000 0.493 352 A N 0.060 122.904 122.820 0.040 0.000 2.209 352 A HA -0.091 4.229 4.320 0.001 0.000 0.212 352 A C 1.708 179.391 177.584 0.164 0.000 1.158 352 A CA 1.369 53.462 52.037 0.094 0.000 0.742 352 A CB -0.650 18.402 19.000 0.086 0.000 0.790 352 A HN 0.567 nan 8.150 nan 0.000 0.472 353 D N 0.118 120.539 120.400 0.036 0.000 2.224 353 D HA -0.060 4.581 4.640 0.001 0.000 0.205 353 D C 0.600 176.908 176.300 0.013 0.000 0.965 353 D CA 0.568 54.509 54.000 -0.099 0.000 0.852 353 D CB -0.152 40.547 40.800 -0.168 0.000 0.947 353 D HN 0.364 nan 8.370 nan 0.000 0.494 354 N N 0.903 119.660 118.700 0.096 0.000 2.406 354 N HA 0.048 4.789 4.740 0.001 0.000 0.251 354 N C -1.860 173.772 175.510 0.202 0.000 1.069 354 N CA -1.661 51.478 53.050 0.148 0.000 0.947 354 N CB 1.706 40.263 38.487 0.117 0.000 1.111 354 N HN -0.106 nan 8.380 nan 0.000 0.497 355 P HA -0.102 nan 4.420 nan 0.000 0.222 355 P C 0.419 177.645 177.300 -0.124 0.000 1.147 355 P CA 1.062 64.175 63.100 0.022 0.000 0.790 355 P CB -0.022 31.631 31.700 -0.078 0.000 0.780 356 Y N -0.200 120.130 120.300 0.050 0.000 2.553 356 Y HA 0.091 4.641 4.550 0.001 0.000 0.303 356 Y C 1.564 177.476 175.900 0.019 0.000 1.194 356 Y CA 0.080 58.196 58.100 0.026 0.000 1.305 356 Y CB -0.532 37.940 38.460 0.019 0.000 1.045 356 Y HN 0.038 nan 8.280 nan 0.000 0.514 357 E N 0.000 120.267 120.200 0.111 0.000 2.725 357 E HA 0.000 4.350 4.350 0.001 0.000 0.291 357 E CA 0.000 56.443 56.400 0.071 0.000 0.976 357 E CB 0.000 29.738 29.700 0.062 0.000 0.812 357 E HN 0.000 nan 8.360 nan 0.000 0.440