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 2zqy_1_D DATA FIRST_RESID 21 DATA SEQUENCE QKVILVGDGA VGSSYAYAMV LQGIAQEIGI VDIFKDKTKG DAIDLSNALP DATA SEQUENCE FTSXPKKIYS AEYSDAKDAD LVVITAGAPX XXGETRLDLV NKNLKILKSI DATA SEQUENCE VDPIVDSGFN GIFLVAANPV DILTYATWKL SGFPKNRVVG SGTSLDTARF DATA SEQUENCE RQSIAEMVNV DARSVHAYIM GEHGDTEFPV WSHANIGGVT IAEWVKAHPE DATA SEQUENCE IKEDKLVKMF EDVRDAAYEI IKLKGATFYG IATALARISK AILNDENAVL DATA SEQUENCE PLSVYMDGQY GLNDIYIGTP AVINRNGIQN ILEIPLTDHE EESMQKSASQ DATA SEQUENCE LKKVLTDAF 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 21 Q HA 0.000 nan 4.340 nan 0.000 0.214 21 Q C 0.000 176.036 176.000 0.061 0.000 1.003 21 Q CA 0.000 55.835 55.803 0.054 0.000 1.022 21 Q CB 0.000 28.764 28.738 0.044 0.000 1.108 22 K N 1.559 122.004 120.400 0.075 0.000 2.207 22 K HA 0.759 5.079 4.320 0.001 0.000 0.255 22 K C -1.132 175.512 176.600 0.073 0.000 0.941 22 K CA -0.570 55.766 56.287 0.081 0.000 0.825 22 K CB 1.710 34.273 32.500 0.105 0.000 1.119 22 K HN 0.235 nan 8.250 nan 0.000 0.430 23 V N 4.595 124.535 119.914 0.042 0.000 2.789 23 V HA 0.462 4.583 4.120 0.001 0.000 0.311 23 V C -0.856 175.219 176.094 -0.031 0.000 1.073 23 V CA -0.993 61.323 62.300 0.026 0.000 0.921 23 V CB 1.929 33.793 31.823 0.069 0.000 1.009 23 V HN 0.699 nan 8.190 nan 0.000 0.426 24 I N 4.799 125.333 120.570 -0.061 0.000 2.420 24 I HA 0.374 4.545 4.170 0.001 0.000 0.282 24 I C -0.503 175.575 176.117 -0.065 0.000 1.019 24 I CA -0.434 60.810 61.300 -0.093 0.000 1.130 24 I CB 1.467 39.383 38.000 -0.141 0.000 1.262 24 I HN 0.472 nan 8.210 nan 0.000 0.454 25 L N 8.631 129.838 121.223 -0.028 0.000 2.292 25 L HA 0.504 4.844 4.340 0.001 0.000 0.284 25 L C -0.616 176.245 176.870 -0.015 0.000 1.065 25 L CA -0.013 54.833 54.840 0.010 0.000 0.806 25 L CB 1.381 43.498 42.059 0.097 0.000 1.175 25 L HN 0.272 nan 8.230 nan 0.000 0.431 26 V N 5.145 125.056 119.914 -0.005 0.000 2.357 26 V HA 0.830 4.951 4.120 0.001 0.000 0.284 26 V C 0.387 176.490 176.094 0.015 0.000 1.018 26 V CA 0.019 62.334 62.300 0.024 0.000 0.841 26 V CB 0.572 32.451 31.823 0.093 0.000 0.991 26 V HN 1.098 nan 8.190 nan 0.000 0.437 27 G N 3.791 112.598 108.800 0.011 0.000 3.373 27 G HA2 -0.073 3.888 3.960 0.001 0.000 0.685 27 G HA3 -0.073 3.888 3.960 0.001 0.000 0.685 27 G C -0.690 174.221 174.900 0.019 0.000 1.166 27 G CA -0.481 44.630 45.100 0.018 0.000 1.063 27 G HN 0.775 nan 8.290 nan 0.000 0.481 28 D N 1.177 121.594 120.400 0.028 0.000 3.163 28 D HA 0.495 5.136 4.640 0.001 0.000 0.284 28 D C 1.272 177.568 176.300 -0.008 0.000 1.368 28 D CA 0.920 54.930 54.000 0.016 0.000 0.895 28 D CB -0.233 40.579 40.800 0.020 0.000 1.061 28 D HN 0.700 nan 8.370 nan 0.000 0.496 29 G N -0.712 108.074 108.800 -0.023 0.000 2.531 29 G HA2 0.444 4.405 3.960 0.001 0.000 0.281 29 G HA3 0.444 4.405 3.960 0.001 0.000 0.281 29 G C 1.182 175.983 174.900 -0.165 0.000 1.382 29 G CA -0.023 45.030 45.100 -0.078 0.000 1.045 29 G HN 0.216 nan 8.290 nan 0.000 0.533 30 A N -1.401 121.238 122.820 -0.302 0.000 1.948 30 A HA -0.038 4.283 4.320 0.001 0.000 0.220 30 A C 2.472 179.823 177.584 -0.388 0.000 1.177 30 A CA 2.285 53.944 52.037 -0.630 0.000 0.636 30 A CB -0.682 17.622 19.000 -1.160 0.000 0.815 30 A HN 0.476 nan 8.150 nan 0.000 0.449 31 V N -0.502 119.335 119.914 -0.130 0.000 2.283 31 V HA -0.092 4.028 4.120 0.001 0.000 0.243 31 V C 2.827 178.975 176.094 0.090 0.000 1.039 31 V CA 1.863 64.191 62.300 0.046 0.000 1.016 31 V CB -1.445 30.413 31.823 0.058 0.000 0.650 31 V HN 0.587 nan 8.190 nan 0.000 0.449 32 G N -1.066 107.764 108.800 0.052 0.000 2.402 32 G HA2 -0.276 3.684 3.960 0.001 0.000 0.216 32 G HA3 -0.276 3.684 3.960 0.001 0.000 0.216 32 G C 1.933 176.927 174.900 0.157 0.000 1.162 32 G CA 1.234 46.404 45.100 0.116 0.000 0.777 32 G HN 0.456 nan 8.290 nan 0.000 0.539 33 S N 0.415 116.147 115.700 0.054 0.000 2.359 33 S HA -0.130 4.341 4.470 0.001 0.000 0.224 33 S C 2.695 177.360 174.600 0.108 0.000 1.035 33 S CA 2.034 60.254 58.200 0.034 0.000 1.018 33 S CB -0.410 62.754 63.200 -0.060 0.000 0.876 33 S HN 0.316 nan 8.310 nan 0.000 0.448 34 S N 0.061 115.843 115.700 0.136 0.000 2.368 34 S HA -0.072 4.398 4.470 0.001 0.000 0.224 34 S C 1.536 176.310 174.600 0.291 0.000 1.029 34 S CA 1.272 59.646 58.200 0.289 0.000 0.988 34 S CB -0.663 62.749 63.200 0.354 0.000 0.838 34 S HN 0.740 nan 8.310 nan 0.000 0.462 35 Y N 2.753 123.134 120.300 0.134 0.000 2.081 35 Y HA -0.235 4.316 4.550 0.002 0.000 0.280 35 Y C 2.411 178.368 175.900 0.095 0.000 1.163 35 Y CA 1.180 59.339 58.100 0.100 0.000 1.135 35 Y CB -1.011 37.485 38.460 0.059 0.000 0.970 35 Y HN 0.191 nan 8.280 nan 0.000 0.498 36 A N -0.413 122.375 122.820 -0.053 0.000 1.940 36 A HA -0.251 4.070 4.320 0.001 0.000 0.219 36 A C 2.185 179.753 177.584 -0.026 0.000 1.176 36 A CA 1.828 53.784 52.037 -0.135 0.000 0.631 36 A CB -1.579 17.429 19.000 0.013 0.000 0.814 36 A HN 0.713 nan 8.150 nan 0.000 0.446 37 Y N 0.540 120.803 120.300 -0.061 0.000 2.163 37 Y HA -0.042 4.508 4.550 0.001 0.000 0.288 37 Y C 2.748 178.621 175.900 -0.045 0.000 1.136 37 Y CA 0.853 58.940 58.100 -0.022 0.000 1.147 37 Y CB -0.989 37.499 38.460 0.046 0.000 0.987 37 Y HN 0.315 nan 8.280 nan 0.000 0.509 38 A N 0.395 123.168 122.820 -0.079 0.000 1.892 38 A HA -0.249 4.071 4.320 0.001 0.000 0.218 38 A C 2.286 179.749 177.584 -0.201 0.000 1.188 38 A CA 2.272 54.207 52.037 -0.170 0.000 0.631 38 A CB -0.815 18.152 19.000 -0.055 0.000 0.822 38 A HN 0.467 nan 8.150 nan 0.000 0.447 39 M N -0.575 118.862 119.600 -0.271 0.000 2.144 39 M HA -0.129 4.352 4.480 0.001 0.000 0.260 39 M C 2.188 178.393 176.300 -0.158 0.000 1.067 39 M CA 1.298 56.436 55.300 -0.269 0.000 1.095 39 M CB -1.217 31.113 32.600 -0.450 0.000 1.365 39 M HN 0.275 nan 8.290 nan 0.000 0.406 40 V N 0.187 120.024 119.914 -0.128 0.000 2.323 40 V HA -0.207 3.914 4.120 0.001 0.000 0.244 40 V C 2.461 178.502 176.094 -0.087 0.000 1.041 40 V CA 1.171 63.434 62.300 -0.062 0.000 1.025 40 V CB -0.428 31.414 31.823 0.032 0.000 0.656 40 V HN 0.386 nan 8.190 nan 0.000 0.451 41 L N -0.593 120.516 121.223 -0.190 0.000 2.056 41 L HA -0.185 4.155 4.340 0.001 0.000 0.207 41 L C 2.462 179.260 176.870 -0.121 0.000 1.078 41 L CA 1.555 56.279 54.840 -0.194 0.000 0.749 41 L CB -0.556 41.285 42.059 -0.363 0.000 0.901 41 L HN 0.348 nan 8.230 nan 0.000 0.433 42 Q N 0.050 119.778 119.800 -0.121 0.000 2.482 42 Q HA 0.035 4.376 4.340 0.001 0.000 0.209 42 Q C 1.015 176.983 176.000 -0.053 0.000 0.961 42 Q CA 0.479 56.235 55.803 -0.078 0.000 0.945 42 Q CB 0.168 28.862 28.738 -0.073 0.000 1.012 42 Q HN 0.612 nan 8.270 nan 0.000 0.515 43 G N 1.928 110.695 108.800 -0.054 0.000 2.323 43 G HA2 -0.266 3.695 3.960 0.001 0.000 0.292 43 G HA3 -0.266 3.695 3.960 0.001 0.000 0.292 43 G C -0.150 174.734 174.900 -0.027 0.000 1.040 43 G CA 0.053 45.134 45.100 -0.033 0.000 0.942 43 G HN 0.317 nan 8.290 nan 0.000 0.506 44 I N 0.434 120.980 120.570 -0.040 0.000 2.339 44 I HA 0.600 4.771 4.170 0.001 0.000 0.290 44 I C 0.779 176.882 176.117 -0.023 0.000 0.994 44 I CA 0.133 61.418 61.300 -0.025 0.000 1.191 44 I CB 1.351 39.336 38.000 -0.025 0.000 1.343 44 I HN 1.331 nan 8.210 nan 0.000 0.458 45 A N 5.219 128.040 122.820 0.001 0.000 2.440 45 A HA -0.137 4.184 4.320 0.001 0.000 0.686 45 A C 0.013 177.603 177.584 0.010 0.000 0.143 45 A CA -0.128 51.916 52.037 0.012 0.000 0.028 45 A CB -0.616 18.390 19.000 0.011 0.000 3.973 45 A HN 0.756 nan 8.150 nan 0.000 0.548 46 Q N -0.150 119.664 119.800 0.023 0.000 2.214 46 Q HA 0.413 4.753 4.340 0.001 0.000 0.229 46 Q C 0.270 176.295 176.000 0.041 0.000 0.835 46 Q CA 0.965 56.785 55.803 0.028 0.000 0.953 46 Q CB 1.180 29.938 28.738 0.033 0.000 1.131 46 Q HN 0.703 nan 8.270 nan 0.000 0.501 47 E N 0.632 120.857 120.200 0.040 0.000 2.311 47 E HA 0.395 4.745 4.350 0.001 0.000 0.281 47 E C -1.539 175.052 176.600 -0.014 0.000 0.905 47 E CA -0.320 56.114 56.400 0.057 0.000 0.778 47 E CB 1.345 31.122 29.700 0.127 0.000 1.240 47 E HN 0.067 nan 8.360 nan 0.000 0.410 48 I N 3.161 123.663 120.570 -0.114 0.000 2.468 48 I HA 0.422 4.592 4.170 0.001 0.000 0.285 48 I C 0.063 175.853 176.117 -0.544 0.000 1.039 48 I CA -0.783 60.391 61.300 -0.209 0.000 1.074 48 I CB 2.074 39.995 38.000 -0.131 0.000 1.228 48 I HN 0.563 nan 8.210 nan 0.000 0.436 49 G N 7.387 115.815 108.800 -0.620 0.000 2.370 49 G HA2 0.667 4.628 3.960 0.001 0.000 0.317 49 G HA3 0.667 4.628 3.960 0.001 0.000 0.317 49 G C -0.540 174.139 174.900 -0.368 0.000 1.162 49 G CA -0.410 44.120 45.100 -0.949 0.000 0.922 49 G HN 0.508 nan 8.290 nan 0.000 0.454 50 I N 2.719 123.122 120.570 -0.279 0.000 2.297 50 I HA 0.196 4.366 4.170 0.001 0.000 0.291 50 I C -0.311 175.748 176.117 -0.098 0.000 1.033 50 I CA -0.662 60.562 61.300 -0.126 0.000 1.253 50 I CB 1.589 39.540 38.000 -0.081 0.000 1.396 50 I HN 0.003 nan 8.210 nan 0.000 0.476 51 V N 5.840 125.695 119.914 -0.099 0.000 2.370 51 V HA 0.486 4.607 4.120 0.001 0.000 0.283 51 V C -0.255 175.761 176.094 -0.130 0.000 1.023 51 V CA -0.354 61.853 62.300 -0.155 0.000 0.857 51 V CB 1.609 33.297 31.823 -0.226 0.000 0.985 51 V HN 0.722 nan 8.190 nan 0.000 0.443 52 D N 2.675 122.994 120.400 -0.135 0.000 2.623 52 D HA 0.370 5.010 4.640 0.001 0.000 0.241 52 D C 0.895 177.112 176.300 -0.139 0.000 1.241 52 D CA -0.592 53.357 54.000 -0.086 0.000 0.788 52 D CB 2.441 43.249 40.800 0.013 0.000 1.413 52 D HN 0.282 nan 8.370 nan 0.000 0.429 53 I N 0.702 121.150 120.570 -0.203 0.000 2.087 53 I HA -0.255 3.915 4.170 0.001 0.000 0.240 53 I C 0.959 176.844 176.117 -0.386 0.000 1.054 53 I CA 1.269 62.337 61.300 -0.386 0.000 1.311 53 I CB -0.305 37.268 38.000 -0.711 0.000 1.024 53 I HN 0.265 nan 8.210 nan 0.000 0.402 54 F N 2.313 122.240 119.950 -0.039 0.000 2.494 54 F HA 0.099 4.627 4.527 0.001 0.000 0.351 54 F C 1.501 177.276 175.800 -0.042 0.000 1.205 54 F CA -0.168 57.810 58.000 -0.037 0.000 1.125 54 F CB -0.051 38.928 39.000 -0.035 0.000 1.268 54 F HN -0.097 nan 8.300 nan 0.000 0.593 55 K N 1.752 122.195 120.400 0.072 0.000 2.002 55 K HA -0.158 4.162 4.320 0.001 0.000 0.209 55 K C 1.387 178.016 176.600 0.048 0.000 1.048 55 K CA 1.530 57.836 56.287 0.032 0.000 0.930 55 K CB -0.191 32.311 32.500 0.003 0.000 0.714 55 K HN 0.533 nan 8.250 nan 0.000 0.438 56 D N 0.847 121.282 120.400 0.059 0.000 2.133 56 D HA -0.195 4.446 4.640 0.001 0.000 0.195 56 D C 1.818 178.135 176.300 0.029 0.000 0.997 56 D CA 1.398 55.421 54.000 0.039 0.000 0.840 56 D CB -0.107 40.715 40.800 0.036 0.000 0.947 56 D HN 0.096 nan 8.370 nan 0.000 0.452 57 K N 0.391 120.817 120.400 0.044 0.000 2.097 57 K HA -0.100 4.221 4.320 0.001 0.000 0.205 57 K C 1.852 178.458 176.600 0.010 0.000 1.050 57 K CA 1.989 58.284 56.287 0.013 0.000 0.938 57 K CB -0.783 31.724 32.500 0.010 0.000 0.718 57 K HN 0.271 nan 8.250 nan 0.000 0.442 58 T N -2.158 112.412 114.554 0.026 0.000 3.023 58 T HA 0.009 4.360 4.350 0.001 0.000 0.266 58 T C 1.919 176.623 174.700 0.007 0.000 1.093 58 T CA 0.951 63.056 62.100 0.008 0.000 1.129 58 T CB -0.107 68.762 68.868 0.001 0.000 0.899 58 T HN 0.281 nan 8.240 nan 0.000 0.491 59 K N 0.844 121.254 120.400 0.016 0.000 2.076 59 K HA 0.145 4.466 4.320 0.001 0.000 0.204 59 K C 2.519 179.127 176.600 0.013 0.000 1.051 59 K CA 1.000 57.300 56.287 0.021 0.000 0.949 59 K CB -0.574 31.940 32.500 0.022 0.000 0.726 59 K HN 0.434 nan 8.250 nan 0.000 0.443 60 G N 0.039 108.842 108.800 0.004 0.000 2.572 60 G HA2 -0.174 3.787 3.960 0.001 0.000 0.216 60 G HA3 -0.174 3.787 3.960 0.001 0.000 0.216 60 G C 0.922 175.814 174.900 -0.013 0.000 1.133 60 G CA 0.462 45.559 45.100 -0.005 0.000 0.791 60 G HN 0.272 nan 8.290 nan 0.000 0.538 61 D N 0.469 120.860 120.400 -0.016 0.000 2.162 61 D HA 0.138 4.779 4.640 0.001 0.000 0.203 61 D C 2.707 178.998 176.300 -0.015 0.000 0.967 61 D CA 0.976 54.960 54.000 -0.026 0.000 0.840 61 D CB -0.021 40.763 40.800 -0.028 0.000 0.972 61 D HN 0.199 nan 8.370 nan 0.000 0.482 62 A N 0.110 122.928 122.820 -0.003 0.000 1.930 62 A HA -0.069 4.251 4.320 0.001 0.000 0.217 62 A C 2.250 179.846 177.584 0.020 0.000 1.175 62 A CA 0.771 52.812 52.037 0.008 0.000 0.627 62 A CB -0.613 18.400 19.000 0.022 0.000 0.815 62 A HN 0.254 nan 8.150 nan 0.000 0.443 63 I N -0.345 120.236 120.570 0.018 0.000 2.202 63 I HA -0.225 3.946 4.170 0.001 0.000 0.242 63 I C 2.327 178.454 176.117 0.016 0.000 1.091 63 I CA 1.761 63.073 61.300 0.020 0.000 1.368 63 I CB -0.429 37.580 38.000 0.014 0.000 1.058 63 I HN 0.298 nan 8.210 nan 0.000 0.410 64 D N 1.236 121.637 120.400 0.001 0.000 2.104 64 D HA -0.173 4.468 4.640 0.001 0.000 0.194 64 D C 2.243 178.546 176.300 0.004 0.000 0.994 64 D CA 1.505 55.499 54.000 -0.009 0.000 0.830 64 D CB -0.115 40.660 40.800 -0.041 0.000 0.959 64 D HN 0.231 nan 8.370 nan 0.000 0.452 65 L N -0.158 121.071 121.223 0.009 0.000 2.093 65 L HA -0.097 4.244 4.340 0.001 0.000 0.208 65 L C 2.495 179.411 176.870 0.077 0.000 1.085 65 L CA 0.869 55.740 54.840 0.052 0.000 0.755 65 L CB -0.296 41.794 42.059 0.052 0.000 0.904 65 L HN -0.027 nan 8.230 nan 0.000 0.435 66 S N -0.240 115.492 115.700 0.053 0.000 2.447 66 S HA -0.122 4.349 4.470 0.001 0.000 0.233 66 S C 1.496 176.131 174.600 0.059 0.000 1.006 66 S CA 0.992 59.224 58.200 0.053 0.000 0.957 66 S CB -0.442 62.784 63.200 0.043 0.000 0.773 66 S HN 0.522 nan 8.310 nan 0.000 0.507 67 N N 1.027 119.768 118.700 0.068 0.000 2.494 67 N HA 0.095 4.836 4.740 0.001 0.000 0.182 67 N C 1.482 177.089 175.510 0.161 0.000 1.076 67 N CA 0.573 53.675 53.050 0.085 0.000 0.908 67 N CB -0.020 38.513 38.487 0.077 0.000 0.967 67 N HN 0.376 nan 8.380 nan 0.000 0.449 68 A N 0.404 123.336 122.820 0.187 0.000 2.147 68 A HA 0.149 4.470 4.320 0.001 0.000 0.211 68 A C 1.952 179.688 177.584 0.254 0.000 1.160 68 A CA 0.005 52.226 52.037 0.306 0.000 0.781 68 A CB -0.135 19.050 19.000 0.310 0.000 0.842 68 A HN 0.127 nan 8.150 nan 0.000 0.475 69 L N 0.465 121.764 121.223 0.128 0.000 2.081 69 L HA -0.128 4.213 4.340 0.001 0.000 0.212 69 L C -0.400 176.471 176.870 0.002 0.000 1.080 69 L CA 1.578 56.456 54.840 0.064 0.000 0.754 69 L CB -1.310 40.769 42.059 0.034 0.000 0.893 69 L HN 0.291 nan 8.230 nan 0.000 0.433 70 P HA -0.190 nan 4.420 nan 0.000 0.223 70 P C 1.028 178.097 177.300 -0.385 0.000 1.144 70 P CA 1.524 64.451 63.100 -0.288 0.000 0.783 70 P CB -0.067 31.368 31.700 -0.442 0.000 0.771 71 F N 0.109 120.067 119.950 0.014 0.000 2.727 71 F HA 0.138 4.665 4.527 0.000 0.000 0.302 71 F C 1.710 177.508 175.800 -0.003 0.000 1.097 71 F CA 0.330 58.334 58.000 0.007 0.000 1.330 71 F CB -0.321 38.688 39.000 0.015 0.000 1.084 71 F HN -0.031 nan 8.300 nan 0.000 0.578 72 T N -3.880 110.742 114.554 0.114 0.000 2.626 72 T HA 0.524 4.875 4.350 0.001 0.000 0.279 72 T C 0.302 175.015 174.700 0.022 0.000 0.983 72 T CA -0.405 61.731 62.100 0.060 0.000 1.059 72 T CB 1.028 69.924 68.868 0.047 0.000 1.396 72 T HN -0.037 nan 8.240 nan 0.000 0.519 76 K N 0.278 120.689 120.400 0.019 0.000 2.597 76 K HA 0.533 4.854 4.320 0.001 0.000 0.282 76 K C -1.648 174.978 176.600 0.043 0.000 0.975 76 K CA -0.794 55.509 56.287 0.026 0.000 0.867 76 K CB 2.267 34.775 32.500 0.014 0.000 1.465 76 K HN 0.461 nan 8.250 nan 0.000 0.417 77 K N 3.638 124.077 120.400 0.065 0.000 2.464 77 K HA 0.432 4.753 4.320 0.001 0.000 0.252 77 K C -1.400 175.280 176.600 0.134 0.000 1.000 77 K CA -0.297 56.060 56.287 0.117 0.000 0.951 77 K CB 0.311 32.900 32.500 0.148 0.000 1.183 77 K HN 0.464 nan 8.250 nan 0.000 0.445 78 I N 5.918 126.549 120.570 0.101 0.000 2.441 78 I HA 0.515 4.685 4.170 0.001 0.000 0.295 78 I C -0.744 175.427 176.117 0.089 0.000 0.994 78 I CA -1.269 60.030 61.300 -0.001 0.000 1.144 78 I CB 1.046 39.039 38.000 -0.011 0.000 1.314 78 I HN 0.671 nan 8.210 nan 0.000 0.445 79 Y N 2.185 122.488 120.300 0.006 0.000 2.656 79 Y HA 0.494 5.044 4.550 0.001 0.000 0.334 79 Y C -0.607 175.289 175.900 -0.006 0.000 1.179 79 Y CA -1.320 56.780 58.100 -0.000 0.000 1.050 79 Y CB 0.991 39.450 38.460 -0.002 0.000 1.308 79 Y HN 0.423 nan 8.280 nan 0.000 0.456 80 S N 1.476 117.288 115.700 0.187 0.000 2.505 80 S HA 0.767 5.238 4.470 0.001 0.000 0.276 80 S C -0.223 174.501 174.600 0.206 0.000 1.274 80 S CA 0.345 58.604 58.200 0.098 0.000 1.053 80 S CB -0.302 62.937 63.200 0.066 0.000 0.919 80 S HN 1.183 nan 8.310 nan 0.000 0.490 81 A N 4.404 127.280 122.820 0.093 0.000 2.437 81 A HA 0.882 5.203 4.320 0.001 0.000 0.292 81 A C -0.796 176.772 177.584 -0.026 0.000 1.173 81 A CA -0.757 51.361 52.037 0.135 0.000 0.785 81 A CB 1.033 20.142 19.000 0.182 0.000 1.351 81 A HN 0.735 nan 8.150 nan 0.000 0.431 82 E N -0.843 119.342 120.200 -0.025 0.000 2.263 82 E HA 0.356 4.707 4.350 0.001 0.000 0.264 82 E C -0.162 176.388 176.600 -0.083 0.000 0.923 82 E CA -0.597 55.725 56.400 -0.129 0.000 0.802 82 E CB 0.751 30.423 29.700 -0.047 0.000 1.228 82 E HN 0.561 nan 8.360 nan 0.000 0.417 83 Y N 0.991 121.296 120.300 0.008 0.000 2.181 83 Y HA -0.288 4.263 4.550 0.001 0.000 0.284 83 Y C 2.490 178.397 175.900 0.013 0.000 1.179 83 Y CA 1.873 59.971 58.100 -0.002 0.000 1.179 83 Y CB -0.921 37.540 38.460 0.001 0.000 0.973 83 Y HN 0.499 nan 8.280 nan 0.000 0.519 84 S N -0.625 115.177 115.700 0.171 0.000 2.440 84 S HA -0.203 4.268 4.470 0.001 0.000 0.240 84 S C 1.404 176.063 174.600 0.099 0.000 1.014 84 S CA 1.584 59.855 58.200 0.119 0.000 0.980 84 S CB -0.411 62.840 63.200 0.084 0.000 0.775 84 S HN 0.463 nan 8.310 nan 0.000 0.499 85 D N 1.560 122.018 120.400 0.096 0.000 2.363 85 D HA 0.238 4.879 4.640 0.001 0.000 0.226 85 D C 1.719 178.081 176.300 0.103 0.000 1.020 85 D CA 0.811 54.877 54.000 0.109 0.000 0.892 85 D CB -0.036 40.867 40.800 0.172 0.000 0.900 85 D HN 0.641 nan 8.370 nan 0.000 0.531 86 A N 0.789 123.653 122.820 0.073 0.000 2.208 86 A HA -0.084 4.237 4.320 0.001 0.000 0.209 86 A C 2.049 179.724 177.584 0.151 0.000 1.161 86 A CA 0.307 52.344 52.037 0.001 0.000 0.782 86 A CB -0.188 18.727 19.000 -0.141 0.000 0.816 86 A HN 0.025 nan 8.150 nan 0.000 0.477 87 K N 0.991 121.486 120.400 0.158 0.000 2.052 87 K HA -0.247 4.074 4.320 0.001 0.000 0.215 87 K C 0.926 177.641 176.600 0.193 0.000 1.053 87 K CA 2.076 58.469 56.287 0.177 0.000 0.934 87 K CB -0.186 32.383 32.500 0.116 0.000 0.717 87 K HN 0.670 nan 8.250 nan 0.000 0.450 88 D N -0.623 119.873 120.400 0.160 0.000 2.369 88 D HA 0.077 4.717 4.640 0.001 0.000 0.211 88 D C 0.140 176.547 176.300 0.179 0.000 1.077 88 D CA -0.071 54.013 54.000 0.140 0.000 0.842 88 D CB -0.099 40.758 40.800 0.095 0.000 0.947 88 D HN 0.206 nan 8.370 nan 0.000 0.509 89 A N 0.968 123.937 122.820 0.248 0.000 2.555 89 A HA 0.008 4.329 4.320 0.001 0.000 0.233 89 A C 0.853 178.664 177.584 0.379 0.000 1.060 89 A CA 0.192 52.384 52.037 0.258 0.000 0.759 89 A CB 0.372 19.435 19.000 0.106 0.000 0.995 89 A HN 0.072 nan 8.150 nan 0.000 0.506 90 D N -0.352 120.200 120.400 0.255 0.000 2.338 90 D HA 0.182 4.822 4.640 0.001 0.000 0.208 90 D C -0.137 176.315 176.300 0.253 0.000 0.997 90 D CA 0.776 54.894 54.000 0.197 0.000 0.880 90 D CB 0.381 41.249 40.800 0.114 0.000 0.980 90 D HN 0.364 nan 8.370 nan 0.000 0.509 91 L N 0.493 121.871 121.223 0.258 0.000 2.513 91 L HA 0.363 4.704 4.340 0.001 0.000 0.261 91 L C -1.845 175.015 176.870 -0.018 0.000 0.945 91 L CA -0.665 54.289 54.840 0.189 0.000 0.848 91 L CB 2.462 44.594 42.059 0.121 0.000 1.334 91 L HN -0.362 nan 8.230 nan 0.000 0.407 92 V N 4.960 124.773 119.914 -0.167 0.000 2.495 92 V HA 0.674 4.795 4.120 0.001 0.000 0.298 92 V C -0.726 175.313 176.094 -0.091 0.000 1.031 92 V CA -0.571 61.541 62.300 -0.314 0.000 0.871 92 V CB 2.098 33.475 31.823 -0.743 0.000 0.988 92 V HN 0.563 nan 8.190 nan 0.000 0.432 93 V N 6.484 126.349 119.914 -0.082 0.000 2.409 93 V HA 0.512 4.632 4.120 0.001 0.000 0.291 93 V C -0.213 175.831 176.094 -0.084 0.000 1.020 93 V CA -0.442 61.790 62.300 -0.114 0.000 0.848 93 V CB 1.702 33.344 31.823 -0.300 0.000 0.990 93 V HN 0.656 nan 8.190 nan 0.000 0.430 94 I N 4.754 125.294 120.570 -0.051 0.000 2.328 94 I HA 0.350 4.521 4.170 0.001 0.000 0.287 94 I C 1.034 177.116 176.117 -0.059 0.000 1.012 94 I CA -0.098 61.183 61.300 -0.032 0.000 1.195 94 I CB 1.692 39.684 38.000 -0.013 0.000 1.350 94 I HN 0.792 nan 8.210 nan 0.000 0.464 95 T N 1.253 115.778 114.554 -0.049 0.000 3.004 95 T HA 0.347 4.698 4.350 0.001 0.000 0.266 95 T C 0.763 175.455 174.700 -0.014 0.000 0.986 95 T CA -0.196 61.879 62.100 -0.043 0.000 0.902 95 T CB 0.370 69.208 68.868 -0.050 0.000 1.118 95 T HN 0.514 nan 8.240 nan 0.000 0.522 96 A N 0.675 123.493 122.820 -0.003 0.000 2.466 96 A HA 0.613 4.934 4.320 0.001 0.000 0.238 96 A C 0.976 178.563 177.584 0.005 0.000 1.074 96 A CA 0.369 52.412 52.037 0.010 0.000 0.774 96 A CB -0.800 18.213 19.000 0.021 0.000 1.015 96 A HN 1.694 nan 8.150 nan 0.000 0.498 97 G N -0.392 108.414 108.800 0.011 0.000 2.952 97 G HA2 0.545 4.506 3.960 0.001 0.000 0.431 97 G HA3 0.545 4.506 3.960 0.001 0.000 0.431 97 G C -0.186 174.723 174.900 0.016 0.000 1.325 97 G CA -0.119 44.986 45.100 0.009 0.000 1.146 97 G HN 2.142 nan 8.290 nan 0.000 0.581 98 A N 4.354 127.185 122.820 0.018 0.000 2.613 98 A HA 0.529 4.850 4.320 0.001 0.000 0.230 98 A C -0.229 177.369 177.584 0.023 0.000 1.051 98 A CA 0.608 52.657 52.037 0.021 0.000 0.754 98 A CB -0.177 18.834 19.000 0.019 0.000 0.979 98 A HN 0.890 nan 8.150 nan 0.000 0.510 104 E N -1.499 118.714 120.200 0.022 0.000 2.401 104 E HA 0.567 4.918 4.350 0.001 0.000 0.283 104 E C -1.598 175.009 176.600 0.012 0.000 1.053 104 E CA -0.838 55.572 56.400 0.017 0.000 0.842 104 E CB 1.403 31.116 29.700 0.022 0.000 1.222 104 E HN 0.416 nan 8.360 nan 0.000 0.429 105 T N 2.006 116.563 114.554 0.006 0.000 2.824 105 T HA 0.233 4.584 4.350 0.001 0.000 0.280 105 T C 0.668 175.367 174.700 -0.001 0.000 0.995 105 T CA -0.685 61.416 62.100 0.001 0.000 1.009 105 T CB 1.514 70.381 68.868 -0.001 0.000 0.955 105 T HN 0.622 nan 8.240 nan 0.000 0.452 106 R N 1.849 122.345 120.500 -0.006 0.000 2.119 106 R HA -0.106 4.235 4.340 0.001 0.000 0.246 106 R C 1.965 178.263 176.300 -0.004 0.000 1.146 106 R CA 1.591 57.687 56.100 -0.007 0.000 0.962 106 R CB -0.932 29.360 30.300 -0.014 0.000 0.863 106 R HN 0.584 nan 8.270 nan 0.000 0.442 107 L N 0.486 121.706 121.223 -0.005 0.000 1.994 107 L HA -0.161 4.180 4.340 0.001 0.000 0.208 107 L C 1.491 178.354 176.870 -0.010 0.000 1.071 107 L CA 2.177 57.014 54.840 -0.005 0.000 0.745 107 L CB -0.702 41.354 42.059 -0.005 0.000 0.892 107 L HN 0.234 nan 8.230 nan 0.000 0.431 108 D N -0.540 119.854 120.400 -0.009 0.000 2.123 108 D HA -0.209 4.432 4.640 0.001 0.000 0.196 108 D C 2.201 178.494 176.300 -0.012 0.000 0.992 108 D CA 1.623 55.616 54.000 -0.011 0.000 0.833 108 D CB -0.176 40.620 40.800 -0.006 0.000 0.954 108 D HN 0.314 nan 8.370 nan 0.000 0.455 109 L N 1.060 122.280 121.223 -0.005 0.000 2.012 109 L HA -0.172 4.168 4.340 0.001 0.000 0.210 109 L C 2.366 179.231 176.870 -0.008 0.000 1.073 109 L CA 1.376 56.215 54.840 -0.002 0.000 0.748 109 L CB -0.562 41.500 42.059 0.006 0.000 0.891 109 L HN -0.137 nan 8.230 nan 0.000 0.431 110 V N 0.178 120.086 119.914 -0.009 0.000 2.295 110 V HA -0.300 3.820 4.120 0.001 0.000 0.246 110 V C 2.382 178.452 176.094 -0.041 0.000 1.049 110 V CA 2.024 64.317 62.300 -0.013 0.000 1.024 110 V CB -0.986 30.835 31.823 -0.003 0.000 0.648 110 V HN 0.524 nan 8.190 nan 0.000 0.447 111 N N 0.782 119.453 118.700 -0.049 0.000 2.272 111 N HA -0.188 4.553 4.740 0.001 0.000 0.185 111 N C 1.865 177.334 175.510 -0.068 0.000 1.014 111 N CA 1.815 54.820 53.050 -0.075 0.000 0.870 111 N CB -0.215 38.235 38.487 -0.061 0.000 0.975 111 N HN 0.748 nan 8.380 nan 0.000 0.433 112 K N -0.280 120.093 120.400 -0.044 0.000 2.284 112 K HA 0.141 4.462 4.320 0.001 0.000 0.198 112 K C 1.231 177.809 176.600 -0.037 0.000 1.048 112 K CA 0.529 56.794 56.287 -0.038 0.000 0.987 112 K CB 0.116 32.603 32.500 -0.022 0.000 0.800 112 K HN -0.128 nan 8.250 nan 0.000 0.486 113 N N 1.365 120.045 118.700 -0.032 0.000 2.270 113 N HA -0.013 4.728 4.740 0.001 0.000 0.181 113 N C 1.779 177.262 175.510 -0.045 0.000 1.016 113 N CA 0.784 53.817 53.050 -0.028 0.000 0.870 113 N CB -0.066 38.413 38.487 -0.014 0.000 0.979 113 N HN 0.201 nan 8.380 nan 0.000 0.431 114 L N 1.062 122.245 121.223 -0.066 0.000 2.083 114 L HA -0.134 4.206 4.340 0.001 0.000 0.209 114 L C 2.191 179.002 176.870 -0.099 0.000 1.083 114 L CA 1.139 55.920 54.840 -0.098 0.000 0.752 114 L CB -0.179 41.772 42.059 -0.180 0.000 0.899 114 L HN 0.125 nan 8.230 nan 0.000 0.433 115 K N 0.201 120.549 120.400 -0.087 0.000 2.025 115 K HA -0.119 4.201 4.320 0.001 0.000 0.207 115 K C 2.076 178.640 176.600 -0.061 0.000 1.049 115 K CA 1.253 57.495 56.287 -0.074 0.000 0.933 115 K CB -0.180 32.283 32.500 -0.061 0.000 0.714 115 K HN 0.212 nan 8.250 nan 0.000 0.438 116 I N 1.205 121.746 120.570 -0.047 0.000 2.151 116 I HA -0.311 3.860 4.170 0.001 0.000 0.243 116 I C 2.425 178.514 176.117 -0.048 0.000 1.080 116 I CA 0.852 62.130 61.300 -0.036 0.000 1.339 116 I CB -0.323 37.664 38.000 -0.021 0.000 1.039 116 I HN 0.122 nan 8.210 nan 0.000 0.409 117 L N 1.262 122.451 121.223 -0.058 0.000 2.043 117 L HA -0.263 4.078 4.340 0.001 0.000 0.212 117 L C 2.482 179.291 176.870 -0.101 0.000 1.075 117 L CA 1.973 56.767 54.840 -0.078 0.000 0.752 117 L CB -0.722 41.292 42.059 -0.075 0.000 0.891 117 L HN 0.132 nan 8.230 nan 0.000 0.432 118 K N -0.945 119.400 120.400 -0.092 0.000 2.097 118 K HA -0.134 4.186 4.320 0.001 0.000 0.206 118 K C 1.989 178.523 176.600 -0.111 0.000 1.049 118 K CA 1.360 57.590 56.287 -0.095 0.000 0.933 118 K CB -0.158 32.294 32.500 -0.080 0.000 0.717 118 K HN 0.573 nan 8.250 nan 0.000 0.442 119 S N -0.459 115.181 115.700 -0.101 0.000 2.607 119 S HA 0.016 4.487 4.470 0.001 0.000 0.224 119 S C 1.573 176.041 174.600 -0.219 0.000 0.969 119 S CA 0.352 58.483 58.200 -0.115 0.000 0.927 119 S CB -0.189 62.978 63.200 -0.055 0.000 0.772 119 S HN 0.315 nan 8.310 nan 0.000 0.533 120 I N -0.046 120.391 120.570 -0.222 0.000 3.345 120 I HA 0.062 4.233 4.170 0.001 0.000 0.258 120 I C 2.129 178.052 176.117 -0.324 0.000 1.134 120 I CA 0.268 61.369 61.300 -0.331 0.000 1.457 120 I CB -0.217 37.736 38.000 -0.077 0.000 1.425 120 I HN 0.095 nan 8.210 nan 0.000 0.461 121 V N 1.283 121.080 119.914 -0.194 0.000 2.287 121 V HA -0.308 3.813 4.120 0.001 0.000 0.248 121 V C 2.070 178.105 176.094 -0.097 0.000 1.053 121 V CA 2.071 64.276 62.300 -0.158 0.000 1.027 121 V CB -0.725 30.938 31.823 -0.267 0.000 0.646 121 V HN 0.389 nan 8.190 nan 0.000 0.447 122 D N -0.138 120.186 120.400 -0.127 0.000 2.108 122 D HA -0.125 4.516 4.640 0.001 0.000 0.190 122 D C 0.058 176.305 176.300 -0.088 0.000 0.995 122 D CA 2.025 55.976 54.000 -0.081 0.000 0.834 122 D CB -1.775 38.973 40.800 -0.088 0.000 0.967 122 D HN 0.351 nan 8.370 nan 0.000 0.446 123 P HA -0.086 nan 4.420 nan 0.000 0.216 123 P C 1.752 178.987 177.300 -0.109 0.000 1.150 123 P CA 0.846 63.813 63.100 -0.222 0.000 0.843 123 P CB 0.005 31.381 31.700 -0.540 0.000 0.787 124 I N -1.272 119.218 120.570 -0.133 0.000 2.226 124 I HA -0.198 3.973 4.170 0.001 0.000 0.245 124 I C 2.072 178.298 176.117 0.183 0.000 1.100 124 I CA 1.303 62.629 61.300 0.043 0.000 1.374 124 I CB -0.539 37.492 38.000 0.053 0.000 1.057 124 I HN -0.174 nan 8.210 nan 0.000 0.413 125 V N 0.363 120.418 119.914 0.235 0.000 2.427 125 V HA -0.266 3.854 4.120 0.001 0.000 0.248 125 V C 1.973 178.198 176.094 0.218 0.000 1.051 125 V CA 1.723 64.227 62.300 0.339 0.000 1.048 125 V CB -0.701 31.328 31.823 0.344 0.000 0.666 125 V HN 0.403 nan 8.190 nan 0.000 0.456 126 D N 0.707 121.184 120.400 0.129 0.000 2.178 126 D HA -0.137 4.504 4.640 0.001 0.000 0.201 126 D C 2.437 178.800 176.300 0.105 0.000 0.980 126 D CA 1.766 55.821 54.000 0.093 0.000 0.842 126 D CB -0.168 40.663 40.800 0.052 0.000 0.948 126 D HN 0.620 nan 8.370 nan 0.000 0.472 127 S N -0.580 115.197 115.700 0.129 0.000 2.383 127 S HA -0.037 4.434 4.470 0.001 0.000 0.229 127 S C 1.832 176.514 174.600 0.137 0.000 1.030 127 S CA 1.723 60.001 58.200 0.131 0.000 1.002 127 S CB 0.051 63.339 63.200 0.148 0.000 0.829 127 S HN 0.352 nan 8.310 nan 0.000 0.467 128 G N -0.270 108.635 108.800 0.175 0.000 2.273 128 G HA2 -0.129 3.832 3.960 0.001 0.000 0.162 128 G HA3 -0.129 3.832 3.960 0.001 0.000 0.162 128 G C -0.103 174.914 174.900 0.195 0.000 1.006 128 G CA -0.264 44.924 45.100 0.147 0.000 0.704 128 G HN 0.543 nan 8.290 nan 0.000 0.487 129 F N 3.613 123.625 119.950 0.104 0.000 2.548 129 F HA 0.197 4.725 4.527 0.001 0.000 0.403 129 F C 1.200 177.130 175.800 0.216 0.000 1.004 129 F CA 0.607 58.670 58.000 0.105 0.000 1.177 129 F CB 0.550 39.569 39.000 0.032 0.000 0.974 129 F HN 0.294 nan 8.300 nan 0.000 0.541 130 N N 3.939 122.386 118.700 -0.421 0.000 2.291 130 N HA 0.185 4.926 4.740 0.001 0.000 0.244 130 N C 0.517 175.712 175.510 -0.526 0.000 1.216 130 N CA 0.220 53.043 53.050 -0.378 0.000 0.879 130 N CB 0.119 38.477 38.487 -0.216 0.000 1.167 130 N HN 0.623 nan 8.380 nan 0.000 0.515 131 G N 0.822 108.834 108.800 -1.314 0.000 2.714 131 G HA2 0.560 4.520 3.960 0.001 0.000 0.197 131 G HA3 0.560 4.520 3.960 0.001 0.000 0.197 131 G C -0.313 174.312 174.900 -0.458 0.000 1.449 131 G CA -0.609 44.016 45.100 -0.792 0.000 1.065 131 G HN 0.139 nan 8.290 nan 0.000 0.575 132 I N -0.274 120.264 120.570 -0.054 0.000 2.525 132 I HA 0.368 4.539 4.170 0.001 0.000 0.301 132 I C -1.149 175.024 176.117 0.094 0.000 0.992 132 I CA -0.458 60.882 61.300 0.068 0.000 1.162 132 I CB 2.094 40.157 38.000 0.104 0.000 1.332 132 I HN 0.088 nan 8.210 nan 0.000 0.458 133 F N 5.477 125.497 119.950 0.117 0.000 2.415 133 F HA 0.439 4.967 4.527 0.001 0.000 0.348 133 F C -0.284 175.513 175.800 -0.004 0.000 1.119 133 F CA -0.583 57.434 58.000 0.028 0.000 1.069 133 F CB 1.498 40.445 39.000 -0.088 0.000 1.124 133 F HN 0.150 nan 8.300 nan 0.000 0.472 134 L N 5.478 126.804 121.223 0.171 0.000 2.316 134 L HA 0.609 4.950 4.340 0.001 0.000 0.280 134 L C -1.224 175.654 176.870 0.013 0.000 1.006 134 L CA -0.524 54.352 54.840 0.060 0.000 0.836 134 L CB 1.191 43.252 42.059 0.004 0.000 1.221 134 L HN 0.304 nan 8.230 nan 0.000 0.418 135 V N 5.688 125.594 119.914 -0.014 0.000 2.383 135 V HA 0.595 4.716 4.120 0.001 0.000 0.275 135 V C 0.871 176.929 176.094 -0.061 0.000 1.036 135 V CA 0.361 62.631 62.300 -0.050 0.000 0.889 135 V CB 0.876 32.648 31.823 -0.085 0.000 0.985 135 V HN 0.940 nan 8.190 nan 0.000 0.459 136 A N 4.087 126.866 122.820 -0.069 0.000 2.192 136 A HA 0.651 4.972 4.320 0.001 0.000 0.208 136 A C 1.340 178.901 177.584 -0.038 0.000 1.220 136 A CA 0.601 52.597 52.037 -0.069 0.000 0.900 136 A CB 0.061 19.000 19.000 -0.101 0.000 0.937 136 A HN 0.996 nan 8.150 nan 0.000 0.487 137 A N 0.891 123.693 122.820 -0.029 0.000 2.531 137 A HA 0.329 4.650 4.320 0.001 0.000 0.236 137 A C 0.004 177.597 177.584 0.014 0.000 1.062 137 A CA 0.066 52.099 52.037 -0.007 0.000 0.760 137 A CB -0.392 18.600 19.000 -0.012 0.000 0.995 137 A HN 0.665 nan 8.150 nan 0.000 0.501 138 N N 2.410 121.130 118.700 0.034 0.000 2.509 138 N HA 0.427 5.168 4.740 0.001 0.000 0.287 138 N C -2.682 172.852 175.510 0.040 0.000 1.121 138 N CA -1.455 51.630 53.050 0.057 0.000 0.977 138 N CB 1.162 39.698 38.487 0.081 0.000 1.167 138 N HN 0.502 nan 8.380 nan 0.000 0.476 139 P HA -0.032 nan 4.420 nan 0.000 0.276 139 P C 0.841 178.183 177.300 0.071 0.000 1.264 139 P CA 0.045 63.183 63.100 0.063 0.000 0.769 139 P CB 1.337 33.062 31.700 0.042 0.000 0.840 140 V N 4.162 124.131 119.914 0.092 0.000 2.250 140 V HA -0.279 3.842 4.120 0.001 0.000 0.250 140 V C 1.851 177.977 176.094 0.053 0.000 1.060 140 V CA 2.323 64.656 62.300 0.055 0.000 1.030 140 V CB -0.705 31.136 31.823 0.029 0.000 0.643 140 V HN 0.493 nan 8.190 nan 0.000 0.445 141 D N -0.351 120.101 120.400 0.086 0.000 2.104 141 D HA -0.183 4.458 4.640 0.001 0.000 0.194 141 D C 2.089 178.467 176.300 0.131 0.000 0.994 141 D CA 2.164 56.228 54.000 0.107 0.000 0.830 141 D CB -0.163 40.703 40.800 0.109 0.000 0.959 141 D HN 0.512 nan 8.370 nan 0.000 0.452 142 I N 0.830 121.468 120.570 0.114 0.000 2.179 142 I HA -0.234 3.936 4.170 0.001 0.000 0.242 142 I C 2.476 178.695 176.117 0.171 0.000 1.088 142 I CA 0.698 62.086 61.300 0.147 0.000 1.357 142 I CB -0.156 37.907 38.000 0.105 0.000 1.051 142 I HN -0.044 nan 8.210 nan 0.000 0.409 143 L N -0.027 121.251 121.223 0.093 0.000 2.265 143 L HA -0.175 4.165 4.340 0.001 0.000 0.215 143 L C 2.448 179.319 176.870 0.001 0.000 1.117 143 L CA 1.111 55.982 54.840 0.051 0.000 0.782 143 L CB -0.753 41.313 42.059 0.011 0.000 0.914 143 L HN 0.277 nan 8.230 nan 0.000 0.441 144 T N -1.598 112.935 114.554 -0.036 0.000 2.809 144 T HA -0.200 4.151 4.350 0.001 0.000 0.260 144 T C 1.679 176.204 174.700 -0.292 0.000 1.039 144 T CA 1.014 62.974 62.100 -0.234 0.000 1.141 144 T CB -0.285 68.384 68.868 -0.331 0.000 0.869 144 T HN 0.297 nan 8.240 nan 0.000 0.437 145 Y N 2.289 122.525 120.300 -0.107 0.000 2.165 145 Y HA -0.080 4.470 4.550 0.001 0.000 0.286 145 Y C 2.517 178.593 175.900 0.293 0.000 1.155 145 Y CA 1.054 59.310 58.100 0.259 0.000 1.164 145 Y CB -0.682 37.999 38.460 0.368 0.000 0.978 145 Y HN 0.178 nan 8.280 nan 0.000 0.513 146 A N -0.721 122.325 122.820 0.377 0.000 1.908 146 A HA -0.221 4.100 4.320 0.001 0.000 0.218 146 A C 2.231 179.851 177.584 0.060 0.000 1.181 146 A CA 2.370 54.594 52.037 0.311 0.000 0.627 146 A CB -1.368 17.786 19.000 0.257 0.000 0.818 146 A HN 0.521 nan 8.150 nan 0.000 0.445 147 T N -1.784 112.730 114.554 -0.067 0.000 2.788 147 T HA -0.183 4.168 4.350 0.001 0.000 0.268 147 T C 1.457 176.034 174.700 -0.205 0.000 1.044 147 T CA 1.499 63.448 62.100 -0.252 0.000 1.139 147 T CB -0.313 68.324 68.868 -0.385 0.000 0.867 147 T HN 0.781 nan 8.240 nan 0.000 0.454 148 W N 2.343 123.474 121.300 -0.282 0.000 2.381 148 W HA -0.024 4.637 4.660 0.001 0.000 0.301 148 W C 2.287 178.722 176.519 -0.139 0.000 1.205 148 W CA 0.966 58.213 57.345 -0.163 0.000 1.285 148 W CB -0.265 29.163 29.460 -0.053 0.000 1.133 148 W HN 0.101 nan 8.180 nan 0.000 0.521 149 K N 0.052 120.262 120.400 -0.316 0.000 2.001 149 K HA -0.170 4.151 4.320 0.001 0.000 0.208 149 K C 2.171 178.612 176.600 -0.266 0.000 1.048 149 K CA 1.981 57.986 56.287 -0.470 0.000 0.932 149 K CB -0.627 31.753 32.500 -0.200 0.000 0.715 149 K HN 0.233 nan 8.250 nan 0.000 0.437 150 L N 0.896 122.040 121.223 -0.131 0.000 2.093 150 L HA -0.147 4.194 4.340 0.001 0.000 0.208 150 L C 2.541 179.347 176.870 -0.106 0.000 1.085 150 L CA 1.523 56.304 54.840 -0.098 0.000 0.755 150 L CB -0.412 41.593 42.059 -0.090 0.000 0.904 150 L HN 0.374 nan 8.230 nan 0.000 0.435 151 S N -1.076 114.541 115.700 -0.137 0.000 2.458 151 S HA 0.070 4.541 4.470 0.001 0.000 0.223 151 S C 1.725 176.458 174.600 0.221 0.000 1.019 151 S CA 0.524 58.738 58.200 0.024 0.000 0.937 151 S CB 0.336 63.430 63.200 -0.177 0.000 0.788 151 S HN 0.506 nan 8.310 nan 0.000 0.511 152 G N 0.475 109.269 108.800 -0.011 0.000 2.189 152 G HA2 -0.273 3.687 3.960 0.001 0.000 0.267 152 G HA3 -0.273 3.687 3.960 0.001 0.000 0.267 152 G C 0.008 174.953 174.900 0.074 0.000 0.975 152 G CA 0.370 45.423 45.100 -0.079 0.000 0.644 152 G HN 0.471 nan 8.290 nan 0.000 0.537 153 F N 1.507 121.468 119.950 0.017 0.000 2.480 153 F HA 0.457 4.985 4.527 0.001 0.000 0.319 153 F C -1.114 174.831 175.800 0.243 0.000 1.230 153 F CA -1.577 56.512 58.000 0.149 0.000 1.285 153 F CB -0.021 39.148 39.000 0.282 0.000 1.208 153 F HN -0.116 nan 8.300 nan 0.000 0.579 154 P HA 0.073 nan 4.420 nan 0.000 0.269 154 P C 0.077 177.587 177.300 0.350 0.000 1.215 154 P CA 0.003 63.274 63.100 0.284 0.000 0.780 154 P CB 0.564 32.352 31.700 0.146 0.000 0.898 155 K N 1.806 122.290 120.400 0.141 0.000 2.103 155 K HA -0.171 4.150 4.320 0.001 0.000 0.207 155 K C 1.476 178.121 176.600 0.075 0.000 1.048 155 K CA 1.613 57.808 56.287 -0.153 0.000 0.930 155 K CB -0.375 31.800 32.500 -0.541 0.000 0.716 155 K HN 0.565 nan 8.250 nan 0.000 0.444 156 N N 0.662 119.413 118.700 0.085 0.000 2.467 156 N HA -0.107 4.634 4.740 0.001 0.000 0.184 156 N C 0.677 176.283 175.510 0.161 0.000 1.106 156 N CA 0.512 53.627 53.050 0.108 0.000 0.892 156 N CB 0.237 38.762 38.487 0.063 0.000 0.969 156 N HN 0.080 nan 8.380 nan 0.000 0.454 157 R N 0.589 121.228 120.500 0.232 0.000 2.507 157 R HA 0.302 4.643 4.340 0.001 0.000 0.298 157 R C -0.486 176.012 176.300 0.329 0.000 0.999 157 R CA -0.115 56.153 56.100 0.280 0.000 1.082 157 R CB 0.804 31.330 30.300 0.377 0.000 1.246 157 R HN 0.037 nan 8.270 nan 0.000 0.553 158 V N 1.359 121.447 119.914 0.289 0.000 2.482 158 V HA 0.355 4.476 4.120 0.001 0.000 0.295 158 V C -0.347 175.826 176.094 0.132 0.000 1.026 158 V CA -0.806 61.624 62.300 0.217 0.000 0.856 158 V CB 2.405 34.328 31.823 0.166 0.000 1.001 158 V HN -0.198 nan 8.190 nan 0.000 0.424 159 V N 3.081 123.053 119.914 0.095 0.000 2.769 159 V HA 0.921 5.042 4.120 0.001 0.000 0.312 159 V C 0.528 176.624 176.094 0.004 0.000 1.061 159 V CA -0.395 61.949 62.300 0.072 0.000 0.931 159 V CB 2.240 34.119 31.823 0.093 0.000 1.010 159 V HN 0.908 nan 8.190 nan 0.000 0.433 160 G N 0.568 109.371 108.800 0.005 0.000 2.448 160 G HA2 0.493 4.453 3.960 0.001 0.000 0.324 160 G HA3 0.493 4.453 3.960 0.001 0.000 0.324 160 G C 0.751 175.644 174.900 -0.012 0.000 1.203 160 G CA 0.214 45.301 45.100 -0.022 0.000 0.954 160 G HN 0.872 nan 8.290 nan 0.000 0.480 161 S N 0.706 116.379 115.700 -0.044 0.000 2.442 161 S HA 0.122 4.593 4.470 0.001 0.000 0.236 161 S C 2.055 176.605 174.600 -0.082 0.000 1.007 161 S CA 1.050 59.212 58.200 -0.064 0.000 0.965 161 S CB -0.749 62.391 63.200 -0.100 0.000 0.773 161 S HN 2.253 nan 8.310 nan 0.000 0.504 162 G N 1.859 110.614 108.800 -0.075 0.000 2.652 162 G HA2 -0.416 3.545 3.960 0.001 0.000 0.318 162 G HA3 -0.416 3.545 3.960 0.001 0.000 0.318 162 G C 0.714 175.535 174.900 -0.131 0.000 1.295 162 G CA 1.755 46.823 45.100 -0.053 0.000 0.999 162 G HN 1.360 nan 8.290 nan 0.000 0.548 163 T N -1.981 112.546 114.554 -0.046 0.000 3.214 163 T HA 0.500 4.851 4.350 0.001 0.000 0.264 163 T C 2.162 176.855 174.700 -0.011 0.000 1.012 163 T CA 1.163 63.255 62.100 -0.012 0.000 0.901 163 T CB 0.155 69.036 68.868 0.023 0.000 1.070 163 T HN 1.609 nan 8.240 nan 0.000 0.561 164 S N 1.736 117.419 115.700 -0.028 0.000 2.370 164 S HA -0.141 4.330 4.470 0.001 0.000 0.226 164 S C 1.843 176.449 174.600 0.010 0.000 1.033 164 S CA 1.061 59.266 58.200 0.008 0.000 1.011 164 S CB -0.772 62.432 63.200 0.007 0.000 0.852 164 S HN 0.421 nan 8.310 nan 0.000 0.457 165 L N 2.403 123.613 121.223 -0.022 0.000 1.994 165 L HA -0.036 4.305 4.340 0.001 0.000 0.208 165 L C 1.810 178.695 176.870 0.025 0.000 1.071 165 L CA 2.305 57.145 54.840 -0.001 0.000 0.745 165 L CB -1.094 40.954 42.059 -0.019 0.000 0.892 165 L HN 0.113 nan 8.230 nan 0.000 0.431 166 D N -0.863 119.554 120.400 0.029 0.000 2.149 166 D HA -0.171 4.470 4.640 0.001 0.000 0.198 166 D C 2.086 178.437 176.300 0.085 0.000 0.990 166 D CA 1.852 55.878 54.000 0.044 0.000 0.839 166 D CB -0.348 40.478 40.800 0.042 0.000 0.948 166 D HN 0.404 nan 8.370 nan 0.000 0.460 167 T N 0.469 115.078 114.554 0.092 0.000 2.788 167 T HA -0.086 4.265 4.350 0.001 0.000 0.268 167 T C 1.980 176.751 174.700 0.118 0.000 1.044 167 T CA 1.358 63.546 62.100 0.148 0.000 1.139 167 T CB -0.200 68.747 68.868 0.132 0.000 0.867 167 T HN 0.202 nan 8.240 nan 0.000 0.454 168 A N 1.691 124.553 122.820 0.070 0.000 1.873 168 A HA -0.066 4.255 4.320 0.001 0.000 0.215 168 A C 2.259 179.868 177.584 0.041 0.000 1.186 168 A CA 1.798 53.857 52.037 0.037 0.000 0.616 168 A CB -0.478 18.539 19.000 0.028 0.000 0.823 168 A HN 0.320 nan 8.150 nan 0.000 0.442 169 R N -1.271 119.268 120.500 0.066 0.000 2.115 169 R HA -0.051 4.290 4.340 0.001 0.000 0.230 169 R C 1.699 178.080 176.300 0.134 0.000 1.111 169 R CA 1.411 57.553 56.100 0.070 0.000 0.976 169 R CB -0.843 29.491 30.300 0.057 0.000 0.870 169 R HN 0.439 nan 8.270 nan 0.000 0.445 170 F N 1.144 121.076 119.950 -0.031 0.000 2.102 170 F HA -0.048 4.480 4.527 0.001 0.000 0.298 170 F C 1.749 177.519 175.800 -0.051 0.000 1.105 170 F CA 1.562 59.544 58.000 -0.030 0.000 1.239 170 F CB -0.303 38.676 39.000 -0.035 0.000 0.991 170 F HN -0.031 nan 8.300 nan 0.000 0.474 171 R N -0.378 120.053 120.500 -0.115 0.000 2.073 171 R HA -0.209 4.132 4.340 0.001 0.000 0.234 171 R C 2.187 178.374 176.300 -0.190 0.000 1.134 171 R CA 1.580 57.522 56.100 -0.262 0.000 0.952 171 R CB -0.748 29.435 30.300 -0.195 0.000 0.850 171 R HN 0.267 nan 8.270 nan 0.000 0.433 172 Q N 0.755 120.498 119.800 -0.094 0.000 2.135 172 Q HA -0.094 4.247 4.340 0.001 0.000 0.204 172 Q C 1.897 177.859 176.000 -0.063 0.000 0.981 172 Q CA 1.918 57.677 55.803 -0.073 0.000 0.856 172 Q CB -0.065 28.653 28.738 -0.034 0.000 0.902 172 Q HN 0.141 nan 8.270 nan 0.000 0.425 173 S N -0.404 115.279 115.700 -0.029 0.000 2.387 173 S HA -0.005 4.466 4.470 0.001 0.000 0.226 173 S C 1.784 176.359 174.600 -0.041 0.000 1.026 173 S CA 1.032 59.234 58.200 0.004 0.000 0.972 173 S CB -0.217 63.041 63.200 0.096 0.000 0.814 173 S HN 0.419 nan 8.310 nan 0.000 0.477 174 I N 1.697 122.188 120.570 -0.130 0.000 2.286 174 I HA -0.205 3.965 4.170 0.001 0.000 0.248 174 I C 2.634 178.633 176.117 -0.197 0.000 1.115 174 I CA 1.053 62.246 61.300 -0.179 0.000 1.392 174 I CB -0.449 37.351 38.000 -0.333 0.000 1.065 174 I HN 0.262 nan 8.210 nan 0.000 0.418 175 A N 0.682 123.383 122.820 -0.197 0.000 1.898 175 A HA -0.191 4.130 4.320 0.001 0.000 0.216 175 A C 2.180 179.686 177.584 -0.131 0.000 1.181 175 A CA 1.462 53.383 52.037 -0.194 0.000 0.620 175 A CB -0.487 18.410 19.000 -0.173 0.000 0.819 175 A HN 0.451 nan 8.150 nan 0.000 0.442 176 E N -0.956 119.192 120.200 -0.087 0.000 2.150 176 E HA -0.153 4.198 4.350 0.001 0.000 0.193 176 E C 2.003 178.580 176.600 -0.039 0.000 0.985 176 E CA 1.183 57.553 56.400 -0.051 0.000 0.814 176 E CB -0.231 29.452 29.700 -0.028 0.000 0.752 176 E HN 0.724 nan 8.360 nan 0.000 0.466 177 M N 0.470 120.043 119.600 -0.044 0.000 2.123 177 M HA -0.100 4.380 4.480 0.001 0.000 0.263 177 M C 2.019 178.300 176.300 -0.033 0.000 1.069 177 M CA 1.209 56.497 55.300 -0.020 0.000 1.133 177 M CB 0.301 32.899 32.600 -0.003 0.000 1.356 177 M HN -0.044 nan 8.290 nan 0.000 0.415 178 V N 0.829 120.678 119.914 -0.108 0.000 3.306 178 V HA -0.077 4.043 4.120 0.001 0.000 0.264 178 V C 0.563 176.602 176.094 -0.092 0.000 1.149 178 V CA 1.009 63.220 62.300 -0.148 0.000 1.143 178 V CB -1.052 30.470 31.823 -0.501 0.000 0.767 178 V HN 0.838 nan 8.190 nan 0.000 0.476 179 N N -0.175 118.474 118.700 -0.085 0.000 2.754 179 N HA -0.172 4.568 4.740 0.001 0.000 0.248 179 N C -0.746 174.726 175.510 -0.064 0.000 1.093 179 N CA 0.696 53.716 53.050 -0.050 0.000 0.699 179 N CB -0.915 37.572 38.487 -0.001 0.000 1.016 179 N HN 0.266 nan 8.380 nan 0.000 0.552 180 V N 0.709 120.541 119.914 -0.137 0.000 2.604 180 V HA 0.266 4.387 4.120 0.001 0.000 0.305 180 V C 0.263 176.270 176.094 -0.146 0.000 1.043 180 V CA -0.801 61.414 62.300 -0.143 0.000 0.888 180 V CB 1.698 33.369 31.823 -0.254 0.000 0.995 180 V HN 0.394 nan 8.190 nan 0.000 0.429 181 D N 3.598 123.937 120.400 -0.102 0.000 2.658 181 D HA 0.045 4.685 4.640 0.001 0.000 0.230 181 D C 1.283 177.502 176.300 -0.134 0.000 1.118 181 D CA 0.897 54.841 54.000 -0.094 0.000 0.848 181 D CB 1.360 42.123 40.800 -0.062 0.000 1.160 181 D HN 0.728 nan 8.370 nan 0.000 0.497 182 A N 4.944 127.688 122.820 -0.128 0.000 1.986 182 A HA -0.264 4.057 4.320 0.001 0.000 0.220 182 A C 2.105 179.593 177.584 -0.160 0.000 1.171 182 A CA 1.576 53.520 52.037 -0.154 0.000 0.640 182 A CB -0.349 18.582 19.000 -0.115 0.000 0.811 182 A HN 0.773 nan 8.150 nan 0.000 0.451 183 R N -0.282 120.154 120.500 -0.107 0.000 2.200 183 R HA -0.047 4.293 4.340 0.001 0.000 0.234 183 R C 1.363 177.601 176.300 -0.104 0.000 1.127 183 R CA 1.344 57.401 56.100 -0.072 0.000 0.989 183 R CB -0.189 30.094 30.300 -0.028 0.000 0.869 183 R HN 0.449 nan 8.270 nan 0.000 0.459 184 S N -0.206 115.376 115.700 -0.198 0.000 2.557 184 S HA 0.134 4.605 4.470 0.001 0.000 0.223 184 S C -0.040 174.139 174.600 -0.702 0.000 0.969 184 S CA -0.211 57.804 58.200 -0.308 0.000 0.927 184 S CB 0.916 64.023 63.200 -0.155 0.000 0.806 184 S HN -0.087 nan 8.310 nan 0.000 0.489 185 V N 4.390 123.913 119.914 -0.652 0.000 2.333 185 V HA 0.292 4.412 4.120 0.001 0.000 0.274 185 V C -0.612 175.078 176.094 -0.672 0.000 1.028 185 V CA -0.627 61.295 62.300 -0.630 0.000 0.851 185 V CB 0.438 32.010 31.823 -0.417 0.000 1.000 185 V HN 0.413 nan 8.190 nan 0.000 0.456 186 H N 4.313 123.255 119.070 -0.213 0.000 2.638 186 H HA 0.807 5.364 4.556 0.001 0.000 0.303 186 H C 0.026 175.160 175.328 -0.324 0.000 1.034 186 H CA -0.222 55.658 56.048 -0.281 0.000 1.225 186 H CB 1.717 31.369 29.762 -0.183 0.000 1.394 186 H HN 0.727 nan 8.280 nan 0.000 0.477 187 A N 3.348 125.937 122.820 -0.385 0.000 2.556 187 A HA 0.704 5.025 4.320 0.001 0.000 0.294 187 A C -1.829 175.525 177.584 -0.384 0.000 1.091 187 A CA -0.715 51.127 52.037 -0.326 0.000 0.704 187 A CB 1.832 20.577 19.000 -0.426 0.000 1.300 187 A HN 0.603 nan 8.150 nan 0.000 0.406 188 Y N 0.228 120.511 120.300 -0.029 0.000 2.386 188 Y HA 0.520 5.071 4.550 0.001 0.000 0.334 188 Y C -0.333 175.473 175.900 -0.156 0.000 1.002 188 Y CA -0.472 57.585 58.100 -0.072 0.000 1.068 188 Y CB 2.243 40.625 38.460 -0.131 0.000 1.203 188 Y HN 0.537 nan 8.280 nan 0.000 0.443 189 I N 5.332 125.916 120.570 0.023 0.000 2.330 189 I HA 0.390 4.561 4.170 0.001 0.000 0.289 189 I C -0.438 175.501 176.117 -0.297 0.000 1.001 189 I CA -0.089 61.087 61.300 -0.208 0.000 1.193 189 I CB 0.802 38.750 38.000 -0.088 0.000 1.345 189 I HN 0.593 nan 8.210 nan 0.000 0.461 190 M N 3.942 123.142 119.600 -0.668 0.000 2.852 190 M HA 0.783 5.264 4.480 0.001 0.000 0.301 190 M C 0.434 176.391 176.300 -0.572 0.000 1.229 190 M CA -0.523 54.411 55.300 -0.609 0.000 0.832 190 M CB 2.155 34.355 32.600 -0.666 0.000 1.726 190 M HN 0.721 nan 8.290 nan 0.000 0.497 191 G N 0.764 109.413 108.800 -0.251 0.000 2.526 191 G HA2 -0.139 3.822 3.960 0.001 0.000 0.250 191 G HA3 -0.139 3.822 3.960 0.001 0.000 0.250 191 G C -1.133 173.762 174.900 -0.007 0.000 1.289 191 G CA -0.678 44.413 45.100 -0.015 0.000 0.947 191 G HN 0.895 nan 8.290 nan 0.000 0.517 192 E N 0.018 120.237 120.200 0.031 0.000 2.290 192 E HA 0.329 4.680 4.350 0.001 0.000 0.277 192 E C 0.305 176.931 176.600 0.043 0.000 1.035 192 E CA -0.444 55.978 56.400 0.037 0.000 0.873 192 E CB 0.278 29.992 29.700 0.023 0.000 1.029 192 E HN 0.696 nan 8.360 nan 0.000 0.419 193 H N 3.688 122.750 119.070 -0.013 0.000 3.107 193 H HA 0.290 4.846 4.556 0.001 0.000 0.301 193 H C 0.211 175.529 175.328 -0.016 0.000 0.981 193 H CA 1.705 57.741 56.048 -0.019 0.000 1.443 193 H CB 0.213 29.966 29.762 -0.014 0.000 1.479 193 H HN 0.726 nan 8.280 nan 0.000 0.564 194 G N 3.871 112.371 108.800 -0.501 0.000 2.403 194 G HA2 -0.143 3.818 3.960 0.001 0.000 0.223 194 G HA3 -0.143 3.818 3.960 0.001 0.000 0.223 194 G C 0.007 174.771 174.900 -0.227 0.000 1.287 194 G CA 0.014 44.885 45.100 -0.383 0.000 0.982 194 G HN 0.494 nan 8.290 nan 0.000 0.471 195 D N 0.614 120.920 120.400 -0.157 0.000 2.269 195 D HA -0.014 4.626 4.640 0.001 0.000 0.208 195 D C 2.423 178.705 176.300 -0.031 0.000 0.963 195 D CA 1.959 55.894 54.000 -0.108 0.000 0.864 195 D CB -0.010 40.723 40.800 -0.111 0.000 0.936 195 D HN 0.537 nan 8.370 nan 0.000 0.505 196 T N -1.315 113.231 114.554 -0.015 0.000 3.086 196 T HA 0.029 4.380 4.350 0.001 0.000 0.250 196 T C 0.685 175.465 174.700 0.134 0.000 1.074 196 T CA -0.482 61.645 62.100 0.044 0.000 0.988 196 T CB -0.100 68.779 68.868 0.019 0.000 0.988 196 T HN 0.204 nan 8.240 nan 0.000 0.530 197 E N 1.566 121.835 120.200 0.114 0.000 2.383 197 E HA 0.439 4.790 4.350 0.001 0.000 0.264 197 E C -0.619 176.139 176.600 0.263 0.000 1.050 197 E CA -1.004 55.475 56.400 0.133 0.000 0.896 197 E CB 0.362 30.080 29.700 0.030 0.000 0.982 197 E HN 0.512 nan 8.360 nan 0.000 0.424 198 F N -0.905 119.003 119.950 -0.070 0.000 2.599 198 F HA 0.629 5.157 4.527 0.001 0.000 0.311 198 F C -2.966 172.535 175.800 -0.498 0.000 1.076 198 F CA -3.591 54.206 58.000 -0.339 0.000 0.937 198 F CB 1.320 40.148 39.000 -0.287 0.000 1.282 198 F HN 0.213 nan 8.300 nan 0.000 0.460 199 P HA 0.232 nan 4.420 nan 0.000 0.292 199 P C -0.631 176.402 177.300 -0.444 0.000 1.287 199 P CA -0.371 62.202 63.100 -0.878 0.000 0.800 199 P CB 2.174 32.938 31.700 -1.560 0.000 0.945 200 V N 4.697 124.473 119.914 -0.229 0.000 2.008 200 V HA 0.039 4.160 4.120 0.001 0.000 0.262 200 V C 1.389 177.583 176.094 0.168 0.000 1.580 200 V CA -0.067 62.268 62.300 0.059 0.000 1.515 200 V CB -1.653 30.234 31.823 0.107 0.000 1.474 200 V HN 0.661 nan 8.190 nan 0.000 0.504 201 W N 1.674 123.072 121.300 0.163 0.000 2.321 201 W HA -0.296 4.364 4.660 0.001 0.000 0.306 201 W C 2.773 179.382 176.519 0.149 0.000 1.217 201 W CA 1.412 58.849 57.345 0.152 0.000 1.257 201 W CB -0.240 29.296 29.460 0.126 0.000 1.145 201 W HN 0.648 nan 8.180 nan 0.000 0.509 202 S N -1.092 114.850 115.700 0.403 0.000 2.359 202 S HA -0.325 4.146 4.470 0.001 0.000 0.224 202 S C 1.787 176.544 174.600 0.263 0.000 1.035 202 S CA 1.708 60.077 58.200 0.281 0.000 1.018 202 S CB -0.897 62.442 63.200 0.231 0.000 0.876 202 S HN 0.372 nan 8.310 nan 0.000 0.448 203 H N 2.160 121.349 119.070 0.200 0.000 2.512 203 H HA 0.482 5.038 4.556 0.001 0.000 0.279 203 H C 1.063 176.485 175.328 0.157 0.000 0.999 203 H CA 0.587 56.738 56.048 0.173 0.000 1.283 203 H CB -0.722 29.151 29.762 0.186 0.000 1.421 203 H HN 0.581 nan 8.280 nan 0.000 0.554 204 A N 1.608 124.632 122.820 0.339 0.000 2.561 204 A HA 0.185 4.506 4.320 0.001 0.000 0.234 204 A C 0.252 177.950 177.584 0.190 0.000 1.055 204 A CA 0.612 52.775 52.037 0.209 0.000 0.756 204 A CB -0.339 18.771 19.000 0.183 0.000 0.986 204 A HN 0.824 nan 8.150 nan 0.000 0.505 205 N N -0.438 118.334 118.700 0.120 0.000 2.708 205 N HA 0.640 5.381 4.740 0.001 0.000 0.257 205 N C -1.418 174.069 175.510 -0.037 0.000 1.373 205 N CA -0.855 52.255 53.050 0.099 0.000 0.843 205 N CB 1.195 39.784 38.487 0.170 0.000 1.503 205 N HN 0.372 nan 8.380 nan 0.000 0.504 206 I N 0.636 121.171 120.570 -0.057 0.000 2.420 206 I HA 0.465 4.636 4.170 0.001 0.000 0.282 206 I C 0.884 176.974 176.117 -0.045 0.000 1.019 206 I CA -0.688 60.472 61.300 -0.234 0.000 1.130 206 I CB 1.370 39.016 38.000 -0.590 0.000 1.262 206 I HN 1.058 nan 8.210 nan 0.000 0.454 207 G N 4.239 113.014 108.800 -0.042 0.000 2.187 207 G HA2 -0.222 3.739 3.960 0.001 0.000 0.261 207 G HA3 -0.222 3.739 3.960 0.001 0.000 0.261 207 G C 0.973 175.968 174.900 0.158 0.000 1.000 207 G CA 0.641 45.796 45.100 0.093 0.000 0.718 207 G HN 1.401 nan 8.290 nan 0.000 0.519 208 G N -3.249 105.661 108.800 0.184 0.000 2.253 208 G HA2 0.037 3.998 3.960 0.001 0.000 0.209 208 G HA3 0.037 3.998 3.960 0.001 0.000 0.209 208 G C 0.291 175.277 174.900 0.143 0.000 0.997 208 G CA 0.272 45.462 45.100 0.151 0.000 0.640 208 G HN 1.524 nan 8.290 nan 0.000 0.496 209 V N 2.029 122.054 119.914 0.184 0.000 2.481 209 V HA 0.609 4.729 4.120 0.001 0.000 0.286 209 V C 1.069 177.293 176.094 0.216 0.000 1.042 209 V CA -0.067 62.363 62.300 0.218 0.000 0.928 209 V CB 1.542 33.569 31.823 0.340 0.000 0.986 209 V HN 0.252 nan 8.190 nan 0.000 0.462 210 T N 5.052 119.717 114.554 0.184 0.000 2.926 210 T HA 0.150 4.501 4.350 0.001 0.000 0.307 210 T C 1.499 176.334 174.700 0.225 0.000 1.059 210 T CA -0.337 61.866 62.100 0.172 0.000 1.122 210 T CB 0.401 69.346 68.868 0.128 0.000 0.972 210 T HN 0.397 nan 8.240 nan 0.000 0.545 211 I N 2.431 123.119 120.570 0.197 0.000 2.163 211 I HA -0.194 3.977 4.170 0.001 0.000 0.243 211 I C 2.683 178.915 176.117 0.192 0.000 1.085 211 I CA 1.555 62.971 61.300 0.194 0.000 1.347 211 I CB -1.768 36.362 38.000 0.218 0.000 1.044 211 I HN 0.766 nan 8.210 nan 0.000 0.408 212 A N 0.371 123.277 122.820 0.142 0.000 1.883 212 A HA -0.204 4.117 4.320 0.001 0.000 0.217 212 A C 2.214 179.865 177.584 0.112 0.000 1.186 212 A CA 1.588 53.681 52.037 0.093 0.000 0.624 212 A CB -0.486 18.560 19.000 0.077 0.000 0.822 212 A HN 0.377 nan 8.150 nan 0.000 0.444 213 E N -1.167 119.115 120.200 0.137 0.000 2.106 213 E HA -0.162 4.188 4.350 0.001 0.000 0.192 213 E C 1.843 178.536 176.600 0.155 0.000 0.984 213 E CA 0.660 57.130 56.400 0.116 0.000 0.806 213 E CB -0.397 29.371 29.700 0.112 0.000 0.750 213 E HN 0.871 nan 8.360 nan 0.000 0.458 214 W N 1.619 122.965 121.300 0.077 0.000 2.355 214 W HA -0.178 4.482 4.660 0.001 0.000 0.309 214 W C 1.868 178.494 176.519 0.178 0.000 1.206 214 W CA 1.222 58.650 57.345 0.139 0.000 1.284 214 W CB -0.267 29.236 29.460 0.072 0.000 1.145 214 W HN -0.136 nan 8.180 nan 0.000 0.502 215 V N 1.564 121.682 119.914 0.340 0.000 2.287 215 V HA -0.343 3.778 4.120 0.001 0.000 0.248 215 V C 2.419 178.560 176.094 0.079 0.000 1.053 215 V CA 2.504 64.931 62.300 0.212 0.000 1.027 215 V CB -1.146 30.747 31.823 0.117 0.000 0.646 215 V HN -0.047 nan 8.190 nan 0.000 0.447 216 K N 0.755 121.175 120.400 0.033 0.000 2.059 216 K HA -0.171 4.150 4.320 0.001 0.000 0.212 216 K C 1.942 178.474 176.600 -0.114 0.000 1.050 216 K CA 1.957 58.226 56.287 -0.031 0.000 0.927 216 K CB -0.835 31.649 32.500 -0.026 0.000 0.714 216 K HN 0.506 nan 8.250 nan 0.000 0.447 217 A N -0.439 122.253 122.820 -0.212 0.000 2.238 217 A HA -0.007 4.314 4.320 0.001 0.000 0.208 217 A C -0.207 176.905 177.584 -0.786 0.000 1.177 217 A CA 0.411 52.170 52.037 -0.464 0.000 0.804 217 A CB -0.191 18.470 19.000 -0.566 0.000 0.823 217 A HN 0.317 nan 8.150 nan 0.000 0.482 218 H N -0.446 118.512 119.070 -0.187 0.000 2.607 218 H HA 0.155 4.712 4.556 0.001 0.000 0.248 218 H C -2.110 173.204 175.328 -0.023 0.000 1.355 218 H CA -1.313 54.666 56.048 -0.114 0.000 1.524 218 H CB 0.959 30.644 29.762 -0.129 0.000 1.563 218 H HN 0.244 nan 8.280 nan 0.000 0.509 219 P HA -0.213 nan 4.420 nan 0.000 0.216 219 P C 1.083 178.414 177.300 0.053 0.000 1.153 219 P CA 1.245 64.359 63.100 0.024 0.000 0.858 219 P CB 0.572 32.268 31.700 -0.007 0.000 0.789 220 E N -0.457 119.786 120.200 0.070 0.000 2.267 220 E HA -0.085 4.266 4.350 0.001 0.000 0.197 220 E C 0.800 177.448 176.600 0.081 0.000 0.998 220 E CA 0.350 56.792 56.400 0.070 0.000 0.830 220 E CB -0.330 29.415 29.700 0.075 0.000 0.751 220 E HN 0.385 nan 8.360 nan 0.000 0.491 221 I N 2.785 123.423 120.570 0.113 0.000 2.301 221 I HA 0.059 4.230 4.170 0.001 0.000 0.292 221 I C -0.132 176.026 176.117 0.069 0.000 1.046 221 I CA -0.435 60.930 61.300 0.107 0.000 1.282 221 I CB 0.533 38.637 38.000 0.174 0.000 1.409 221 I HN -0.202 nan 8.210 nan 0.000 0.484 222 K N 6.045 126.469 120.400 0.039 0.000 2.159 222 K HA 0.178 4.499 4.320 0.001 0.000 0.266 222 K C 0.639 177.225 176.600 -0.022 0.000 0.975 222 K CA -0.533 55.761 56.287 0.011 0.000 0.865 222 K CB 1.584 34.093 32.500 0.015 0.000 1.087 222 K HN 0.521 nan 8.250 nan 0.000 0.446 223 E N 1.888 122.053 120.200 -0.059 0.000 2.396 223 E HA -0.243 4.107 4.350 0.001 0.000 0.200 223 E C 0.423 176.973 176.600 -0.083 0.000 1.023 223 E CA 1.196 57.517 56.400 -0.132 0.000 0.857 223 E CB 0.280 29.892 29.700 -0.145 0.000 0.775 223 E HN 0.441 nan 8.360 nan 0.000 0.525 224 D N 0.091 120.476 120.400 -0.025 0.000 2.120 224 D HA -0.105 4.535 4.640 0.001 0.000 0.202 224 D C 1.650 177.975 176.300 0.042 0.000 0.972 224 D CA 0.729 54.735 54.000 0.011 0.000 0.837 224 D CB 0.270 41.080 40.800 0.016 0.000 0.989 224 D HN 0.092 nan 8.370 nan 0.000 0.469 225 K N 0.839 121.265 120.400 0.043 0.000 2.097 225 K HA -0.050 4.271 4.320 0.001 0.000 0.205 225 K C 2.370 179.041 176.600 0.119 0.000 1.050 225 K CA 0.241 56.572 56.287 0.072 0.000 0.938 225 K CB -0.526 32.011 32.500 0.061 0.000 0.718 225 K HN 0.276 nan 8.250 nan 0.000 0.442 226 L N 0.570 121.846 121.223 0.089 0.000 2.093 226 L HA -0.127 4.214 4.340 0.001 0.000 0.208 226 L C 2.366 179.459 176.870 0.371 0.000 1.085 226 L CA 0.642 55.584 54.840 0.169 0.000 0.755 226 L CB -0.369 41.592 42.059 -0.162 0.000 0.904 226 L HN -0.122 nan 8.230 nan 0.000 0.435 227 V N -0.120 119.928 119.914 0.223 0.000 2.453 227 V HA -0.232 3.889 4.120 0.001 0.000 0.247 227 V C 2.506 178.808 176.094 0.348 0.000 1.048 227 V CA 1.482 63.988 62.300 0.343 0.000 1.049 227 V CB -0.387 31.548 31.823 0.186 0.000 0.672 227 V HN 0.417 nan 8.190 nan 0.000 0.457 228 K N -0.042 120.495 120.400 0.230 0.000 2.155 228 K HA -0.140 4.181 4.320 0.001 0.000 0.203 228 K C 2.198 178.905 176.600 0.179 0.000 1.052 228 K CA 1.434 57.825 56.287 0.172 0.000 0.948 228 K CB -0.120 32.449 32.500 0.116 0.000 0.728 228 K HN 0.427 nan 8.250 nan 0.000 0.448 229 M N 0.426 120.175 119.600 0.247 0.000 2.086 229 M HA -0.180 4.301 4.480 0.001 0.000 0.261 229 M C 1.978 178.419 176.300 0.235 0.000 1.067 229 M CA 1.630 57.081 55.300 0.252 0.000 1.116 229 M CB -0.377 32.429 32.600 0.343 0.000 1.348 229 M HN 0.180 nan 8.290 nan 0.000 0.407 230 F N 1.641 121.722 119.950 0.219 0.000 2.095 230 F HA -0.215 4.312 4.527 0.001 0.000 0.298 230 F C 1.887 177.635 175.800 -0.087 0.000 1.104 230 F CA 2.255 60.199 58.000 -0.093 0.000 1.232 230 F CB -0.603 38.302 39.000 -0.157 0.000 0.987 230 F HN 0.296 nan 8.300 nan 0.000 0.475 231 E N -0.031 120.042 120.200 -0.211 0.000 2.160 231 E HA -0.228 4.122 4.350 0.001 0.000 0.195 231 E C 1.794 178.237 176.600 -0.262 0.000 0.991 231 E CA 1.373 57.601 56.400 -0.287 0.000 0.810 231 E CB -0.283 29.432 29.700 0.025 0.000 0.742 231 E HN 0.500 nan 8.360 nan 0.000 0.466 232 D N 0.201 120.519 120.400 -0.138 0.000 2.117 232 D HA -0.113 4.528 4.640 0.001 0.000 0.198 232 D C 2.089 178.307 176.300 -0.137 0.000 0.982 232 D CA 0.691 54.640 54.000 -0.085 0.000 0.828 232 D CB -0.279 40.515 40.800 -0.011 0.000 0.967 232 D HN 0.017 nan 8.370 nan 0.000 0.464 233 V N 1.036 120.828 119.914 -0.203 0.000 2.287 233 V HA -0.229 3.891 4.120 0.001 0.000 0.248 233 V C 2.585 178.516 176.094 -0.271 0.000 1.053 233 V CA 1.609 63.790 62.300 -0.199 0.000 1.027 233 V CB -0.405 31.291 31.823 -0.212 0.000 0.646 233 V HN 0.152 nan 8.190 nan 0.000 0.447 234 R N 0.101 120.298 120.500 -0.505 0.000 2.081 234 R HA -0.150 4.190 4.340 0.001 0.000 0.235 234 R C 1.351 177.508 176.300 -0.238 0.000 1.131 234 R CA 1.871 57.702 56.100 -0.448 0.000 0.960 234 R CB -0.160 29.719 30.300 -0.701 0.000 0.856 234 R HN 0.520 nan 8.270 nan 0.000 0.436 235 D N -0.338 119.953 120.400 -0.182 0.000 2.368 235 D HA 0.107 4.747 4.640 0.001 0.000 0.218 235 D C 1.092 177.405 176.300 0.022 0.000 1.112 235 D CA 0.353 54.317 54.000 -0.059 0.000 0.834 235 D CB 0.821 41.604 40.800 -0.028 0.000 0.953 235 D HN 0.277 nan 8.370 nan 0.000 0.505 236 A N 1.447 124.253 122.820 -0.022 0.000 1.877 236 A HA -0.086 4.235 4.320 0.001 0.000 0.216 236 A C 2.370 179.972 177.584 0.029 0.000 1.186 236 A CA 1.871 53.908 52.037 0.001 0.000 0.620 236 A CB -0.645 18.344 19.000 -0.018 0.000 0.822 236 A HN 0.244 nan 8.150 nan 0.000 0.443 237 A N -1.538 121.305 122.820 0.039 0.000 1.958 237 A HA -0.243 4.077 4.320 0.001 0.000 0.221 237 A C 2.148 179.792 177.584 0.099 0.000 1.178 237 A CA 2.061 54.135 52.037 0.060 0.000 0.642 237 A CB -0.868 18.179 19.000 0.078 0.000 0.816 237 A HN 0.760 nan 8.150 nan 0.000 0.453 238 Y N 0.268 120.547 120.300 -0.034 0.000 2.242 238 Y HA -0.115 4.436 4.550 0.001 0.000 0.291 238 Y C 2.312 178.198 175.900 -0.024 0.000 1.137 238 Y CA 2.015 60.098 58.100 -0.029 0.000 1.181 238 Y CB -0.386 38.050 38.460 -0.039 0.000 0.989 238 Y HN 0.479 nan 8.280 nan 0.000 0.527 239 E N 0.147 120.327 120.200 -0.032 0.000 2.072 239 E HA -0.141 4.209 4.350 0.001 0.000 0.191 239 E C 2.087 178.627 176.600 -0.101 0.000 0.985 239 E CA 1.676 58.011 56.400 -0.108 0.000 0.801 239 E CB -0.469 29.210 29.700 -0.036 0.000 0.750 239 E HN 0.573 nan 8.360 nan 0.000 0.452 240 I N 0.336 120.871 120.570 -0.058 0.000 2.286 240 I HA -0.243 3.928 4.170 0.001 0.000 0.248 240 I C 2.128 178.206 176.117 -0.065 0.000 1.115 240 I CA 0.919 62.183 61.300 -0.060 0.000 1.392 240 I CB -0.222 37.744 38.000 -0.057 0.000 1.065 240 I HN 0.194 nan 8.210 nan 0.000 0.418 241 I N 0.618 121.150 120.570 -0.062 0.000 2.315 241 I HA -0.253 3.918 4.170 0.001 0.000 0.248 241 I C 2.410 178.472 176.117 -0.091 0.000 1.117 241 I CA 1.367 62.637 61.300 -0.050 0.000 1.404 241 I CB -0.266 37.725 38.000 -0.015 0.000 1.071 241 I HN 0.160 nan 8.210 nan 0.000 0.419 242 K N 0.630 120.928 120.400 -0.170 0.000 2.062 242 K HA -0.074 4.246 4.320 0.001 0.000 0.205 242 K C 2.085 178.625 176.600 -0.100 0.000 1.051 242 K CA 1.147 57.333 56.287 -0.169 0.000 0.941 242 K CB -0.072 32.273 32.500 -0.258 0.000 0.719 242 K HN 0.243 nan 8.250 nan 0.000 0.440 243 L N 0.677 121.848 121.223 -0.087 0.000 2.044 243 L HA -0.116 4.225 4.340 0.001 0.000 0.205 243 L C 2.476 179.326 176.870 -0.033 0.000 1.075 243 L CA 1.262 56.069 54.840 -0.055 0.000 0.747 243 L CB -0.052 41.977 42.059 -0.050 0.000 0.903 243 L HN 0.093 nan 8.230 nan 0.000 0.435 244 K N -1.462 118.920 120.400 -0.029 0.000 2.367 244 K HA 0.123 4.444 4.320 0.001 0.000 0.195 244 K C 1.215 177.830 176.600 0.024 0.000 1.060 244 K CA 0.749 57.034 56.287 -0.002 0.000 1.022 244 K CB 0.818 33.307 32.500 -0.017 0.000 0.894 244 K HN 0.257 nan 8.250 nan 0.000 0.540 245 G N 0.172 108.978 108.800 0.009 0.000 2.279 245 G HA2 -0.200 3.761 3.960 0.001 0.000 0.223 245 G HA3 -0.200 3.761 3.960 0.001 0.000 0.223 245 G C 0.059 174.991 174.900 0.053 0.000 1.015 245 G CA 0.035 45.150 45.100 0.024 0.000 0.621 245 G HN 0.661 nan 8.290 nan 0.000 0.506 246 A N -1.394 121.485 122.820 0.098 0.000 2.599 246 A HA 0.871 5.192 4.320 0.001 0.000 0.290 246 A C -0.588 177.063 177.584 0.112 0.000 1.101 246 A CA 0.617 52.748 52.037 0.156 0.000 0.674 246 A CB 1.105 20.253 19.000 0.247 0.000 1.277 246 A HN 1.042 nan 8.150 nan 0.000 0.419 247 T N 1.074 115.703 114.554 0.125 0.000 2.848 247 T HA 0.635 4.986 4.350 0.001 0.000 0.285 247 T C -0.256 174.487 174.700 0.073 0.000 0.995 247 T CA 0.225 62.286 62.100 -0.064 0.000 0.970 247 T CB 0.601 69.461 68.868 -0.013 0.000 0.976 247 T HN 1.030 nan 8.240 nan 0.000 0.441 248 F N -1.419 118.450 119.950 -0.135 0.000 2.706 248 F HA 0.299 4.827 4.527 0.001 0.000 0.370 248 F C 1.233 176.992 175.800 -0.069 0.000 0.828 248 F CA -0.612 57.301 58.000 -0.144 0.000 1.028 248 F CB -0.344 38.518 39.000 -0.230 0.000 0.981 248 F HN 0.405 nan 8.300 nan 0.000 0.617 249 Y N 2.530 122.782 120.300 -0.079 0.000 2.224 249 Y HA 0.154 4.705 4.550 0.001 0.000 0.289 249 Y C 2.631 178.543 175.900 0.020 0.000 1.146 249 Y CA 1.308 59.418 58.100 0.017 0.000 1.182 249 Y CB -1.201 37.214 38.460 -0.075 0.000 0.983 249 Y HN 0.257 nan 8.280 nan 0.000 0.524 250 G N -0.187 108.692 108.800 0.131 0.000 2.414 250 G HA2 -0.250 3.711 3.960 0.001 0.000 0.215 250 G HA3 -0.250 3.711 3.960 0.001 0.000 0.215 250 G C 1.701 176.651 174.900 0.082 0.000 1.188 250 G CA 1.035 46.186 45.100 0.084 0.000 0.783 250 G HN 0.357 nan 8.290 nan 0.000 0.537 251 I N 1.691 122.307 120.570 0.077 0.000 2.315 251 I HA 0.037 4.208 4.170 0.001 0.000 0.248 251 I C 2.901 179.083 176.117 0.107 0.000 1.117 251 I CA 1.220 62.557 61.300 0.063 0.000 1.404 251 I CB -0.352 37.676 38.000 0.048 0.000 1.071 251 I HN 0.180 nan 8.210 nan 0.000 0.419 252 A N -0.815 122.109 122.820 0.175 0.000 1.873 252 A HA -0.184 4.137 4.320 0.001 0.000 0.215 252 A C 2.339 180.070 177.584 0.246 0.000 1.186 252 A CA 2.349 54.541 52.037 0.259 0.000 0.616 252 A CB -1.378 17.808 19.000 0.311 0.000 0.823 252 A HN 0.449 nan 8.150 nan 0.000 0.442 253 T N 0.374 115.034 114.554 0.178 0.000 2.746 253 T HA -0.033 4.317 4.350 0.001 0.000 0.267 253 T C 2.194 176.957 174.700 0.105 0.000 1.039 253 T CA 1.618 63.789 62.100 0.118 0.000 1.142 253 T CB -0.428 68.488 68.868 0.081 0.000 0.866 253 T HN 0.586 nan 8.240 nan 0.000 0.444 254 A N 1.025 123.901 122.820 0.093 0.000 1.930 254 A HA 0.035 4.356 4.320 0.001 0.000 0.217 254 A C 2.171 179.806 177.584 0.085 0.000 1.175 254 A CA 1.015 53.092 52.037 0.067 0.000 0.627 254 A CB -0.673 18.348 19.000 0.035 0.000 0.815 254 A HN 0.323 nan 8.150 nan 0.000 0.443 255 L N -0.335 120.958 121.223 0.117 0.000 2.046 255 L HA -0.098 4.243 4.340 0.001 0.000 0.208 255 L C 2.950 179.980 176.870 0.266 0.000 1.077 255 L CA 1.869 56.779 54.840 0.117 0.000 0.747 255 L CB -1.133 40.939 42.059 0.021 0.000 0.896 255 L HN 0.399 nan 8.230 nan 0.000 0.432 256 A N -1.047 121.982 122.820 0.347 0.000 1.972 256 A HA -0.220 4.100 4.320 0.001 0.000 0.219 256 A C 2.497 180.161 177.584 0.133 0.000 1.169 256 A CA 1.515 53.700 52.037 0.247 0.000 0.635 256 A CB -0.487 18.557 19.000 0.072 0.000 0.810 256 A HN 0.311 nan 8.150 nan 0.000 0.446 257 R N 0.116 120.677 120.500 0.102 0.000 2.090 257 R HA 0.025 4.366 4.340 0.001 0.000 0.228 257 R C 1.819 178.162 176.300 0.071 0.000 1.110 257 R CA 1.377 57.517 56.100 0.067 0.000 0.973 257 R CB -0.497 29.833 30.300 0.051 0.000 0.869 257 R HN 0.597 nan 8.270 nan 0.000 0.440 258 I N 0.460 121.078 120.570 0.081 0.000 2.252 258 I HA -0.216 3.955 4.170 0.001 0.000 0.245 258 I C 2.200 178.367 176.117 0.084 0.000 1.102 258 I CA 1.133 62.475 61.300 0.070 0.000 1.385 258 I CB -0.281 37.753 38.000 0.056 0.000 1.064 258 I HN 0.055 nan 8.210 nan 0.000 0.414 259 S N 0.496 116.268 115.700 0.120 0.000 2.383 259 S HA -0.237 4.234 4.470 0.001 0.000 0.229 259 S C 2.016 176.674 174.600 0.097 0.000 1.030 259 S CA 1.431 59.713 58.200 0.136 0.000 1.002 259 S CB -0.245 63.099 63.200 0.241 0.000 0.829 259 S HN 0.377 nan 8.310 nan 0.000 0.467 260 K N 1.278 121.726 120.400 0.080 0.000 2.097 260 K HA 0.018 4.339 4.320 0.001 0.000 0.205 260 K C 2.206 178.836 176.600 0.050 0.000 1.050 260 K CA 1.035 57.355 56.287 0.054 0.000 0.938 260 K CB -0.306 32.218 32.500 0.040 0.000 0.718 260 K HN 0.298 nan 8.250 nan 0.000 0.442 261 A N 1.178 124.029 122.820 0.053 0.000 1.972 261 A HA -0.101 4.219 4.320 0.001 0.000 0.219 261 A C 1.979 179.593 177.584 0.050 0.000 1.169 261 A CA 1.193 53.259 52.037 0.048 0.000 0.635 261 A CB -0.386 18.644 19.000 0.049 0.000 0.810 261 A HN 0.318 nan 8.150 nan 0.000 0.446 262 I N -0.807 119.797 120.570 0.058 0.000 2.270 262 I HA -0.149 4.021 4.170 0.001 0.000 0.239 262 I C 2.264 178.415 176.117 0.056 0.000 1.080 262 I CA 0.842 62.178 61.300 0.060 0.000 1.383 262 I CB -0.394 37.649 38.000 0.072 0.000 1.097 262 I HN 0.234 nan 8.210 nan 0.000 0.420 263 L N 0.806 122.065 121.223 0.060 0.000 2.127 263 L HA -0.191 4.149 4.340 0.001 0.000 0.211 263 L C 1.406 178.301 176.870 0.042 0.000 1.089 263 L CA 1.166 56.038 54.840 0.053 0.000 0.757 263 L CB -0.588 41.504 42.059 0.056 0.000 0.899 263 L HN 0.351 nan 8.230 nan 0.000 0.434 264 N N -0.304 118.419 118.700 0.038 0.000 2.268 264 N HA -0.024 4.716 4.740 0.001 0.000 0.204 264 N C -0.118 175.410 175.510 0.030 0.000 1.124 264 N CA 0.199 53.268 53.050 0.031 0.000 0.838 264 N CB -0.027 38.477 38.487 0.027 0.000 0.994 264 N HN 0.140 nan 8.380 nan 0.000 0.489 265 D N 1.101 121.521 120.400 0.033 0.000 2.704 265 D HA -0.193 4.448 4.640 0.001 0.000 0.232 265 D C 0.688 177.005 176.300 0.028 0.000 1.183 265 D CA 0.579 54.597 54.000 0.031 0.000 0.647 265 D CB -0.707 40.108 40.800 0.026 0.000 1.013 265 D HN 0.357 nan 8.370 nan 0.000 0.415 266 E N 0.549 120.768 120.200 0.031 0.000 2.152 266 E HA -0.088 4.263 4.350 0.001 0.000 0.192 266 E C 0.501 177.118 176.600 0.028 0.000 0.983 266 E CA 0.612 57.029 56.400 0.029 0.000 0.818 266 E CB 0.076 29.795 29.700 0.031 0.000 0.758 266 E HN 0.469 nan 8.360 nan 0.000 0.467 267 N N 0.059 118.777 118.700 0.031 0.000 2.746 267 N HA -0.168 4.573 4.740 0.001 0.000 0.250 267 N C -0.996 174.533 175.510 0.032 0.000 1.055 267 N CA 0.714 53.782 53.050 0.029 0.000 0.699 267 N CB -1.365 37.136 38.487 0.024 0.000 0.919 267 N HN 0.149 nan 8.380 nan 0.000 0.548 268 A N -0.363 122.479 122.820 0.037 0.000 2.293 268 A HA 0.640 4.961 4.320 0.001 0.000 0.302 268 A C 0.577 178.190 177.584 0.049 0.000 1.119 268 A CA -0.439 51.623 52.037 0.042 0.000 0.823 268 A CB 1.205 20.231 19.000 0.043 0.000 1.097 268 A HN 0.094 nan 8.150 nan 0.000 0.491 269 V N 2.936 122.886 119.914 0.061 0.000 2.348 269 V HA 0.397 4.518 4.120 0.001 0.000 0.270 269 V C -0.308 175.848 176.094 0.104 0.000 1.037 269 V CA 0.172 62.519 62.300 0.079 0.000 0.872 269 V CB -0.065 31.820 31.823 0.104 0.000 1.002 269 V HN 0.656 nan 8.190 nan 0.000 0.464 270 L N 6.887 128.160 121.223 0.082 0.000 2.401 270 L HA 0.525 4.866 4.340 0.001 0.000 0.266 270 L C -2.688 174.216 176.870 0.057 0.000 0.991 270 L CA -1.941 52.952 54.840 0.087 0.000 0.818 270 L CB 3.199 45.295 42.059 0.063 0.000 1.321 270 L HN 0.349 nan 8.230 nan 0.000 0.413 271 P HA 0.253 nan 4.420 nan 0.000 0.273 271 P C -0.969 176.331 177.300 0.000 0.000 1.319 271 P CA 0.280 63.380 63.100 0.000 0.000 0.885 271 P CB 0.265 31.991 31.700 0.043 0.000 1.015 272 L N 1.056 122.279 121.223 0.000 0.000 2.271 272 L HA 0.489 4.830 4.340 0.001 0.000 0.265 272 L C 0.512 177.407 176.870 0.042 0.000 1.013 272 L CA -0.974 53.879 54.840 0.023 0.000 0.820 272 L CB 1.228 43.313 42.059 0.044 0.000 1.352 272 L HN 0.005 nan 8.230 nan 0.000 0.443 273 S N 1.288 117.035 115.700 0.078 0.000 2.416 273 S HA 0.446 4.917 4.470 0.001 0.000 0.287 273 S C -0.345 174.440 174.600 0.308 0.000 1.139 273 S CA -0.589 57.704 58.200 0.156 0.000 1.058 273 S CB 0.451 63.726 63.200 0.126 0.000 0.967 273 S HN 0.374 nan 8.310 nan 0.000 0.495 274 V N 1.791 121.848 119.914 0.238 0.000 3.001 274 V HA 0.590 4.711 4.120 0.001 0.000 0.314 274 V C -0.935 174.978 176.094 -0.300 0.000 1.099 274 V CA -1.326 61.058 62.300 0.140 0.000 0.989 274 V CB 1.159 33.011 31.823 0.048 0.000 1.040 274 V HN 0.672 nan 8.190 nan 0.000 0.434 275 Y N 3.924 123.727 120.300 -0.829 0.000 2.537 275 Y HA 0.445 4.995 4.550 0.001 0.000 0.339 275 Y C 0.538 176.159 175.900 -0.465 0.000 1.066 275 Y CA -0.233 57.242 58.100 -1.040 0.000 1.357 275 Y CB 0.883 38.669 38.460 -1.124 0.000 1.175 275 Y HN 0.619 nan 8.280 nan 0.000 0.525 276 M N 5.952 125.186 119.600 -0.610 0.000 2.143 276 M HA 0.064 4.545 4.480 0.001 0.000 0.348 276 M C -0.528 175.655 176.300 -0.194 0.000 1.375 276 M CA 0.336 55.460 55.300 -0.294 0.000 1.124 276 M CB 0.462 32.915 32.600 -0.244 0.000 1.669 276 M HN 0.614 nan 8.290 nan 0.000 0.469 277 D N 2.532 122.910 120.400 -0.036 0.000 3.010 277 D HA 0.422 5.063 4.640 0.001 0.000 0.347 277 D C 1.223 177.519 176.300 -0.008 0.000 1.340 277 D CA 0.284 54.299 54.000 0.025 0.000 0.858 277 D CB 0.671 41.507 40.800 0.059 0.000 1.111 277 D HN 0.984 nan 8.370 nan 0.000 0.482 278 G N 0.982 109.767 108.800 -0.025 0.000 2.259 278 G HA2 -0.270 3.691 3.960 0.001 0.000 0.217 278 G HA3 -0.270 3.691 3.960 0.001 0.000 0.217 278 G C 0.472 175.345 174.900 -0.045 0.000 1.001 278 G CA -0.532 44.552 45.100 -0.027 0.000 0.627 278 G HN 0.363 nan 8.290 nan 0.000 0.501 279 Q N -0.645 119.121 119.800 -0.058 0.000 2.330 279 Q HA 0.508 4.849 4.340 0.001 0.000 0.279 279 Q C 0.794 176.774 176.000 -0.032 0.000 1.024 279 Q CA 0.457 56.174 55.803 -0.143 0.000 0.900 279 Q CB 0.028 28.687 28.738 -0.132 0.000 1.221 279 Q HN 0.627 nan 8.270 nan 0.000 0.396 280 Y N 0.267 120.549 120.300 -0.031 0.000 4.916 280 Y HA -0.320 4.231 4.550 0.001 0.000 0.247 280 Y C 1.181 177.065 175.900 -0.027 0.000 0.962 280 Y CA 1.461 59.548 58.100 -0.022 0.000 1.933 280 Y CB -1.730 36.719 38.460 -0.019 0.000 1.451 280 Y HN 0.968 nan 8.280 nan 0.000 0.539 281 G N -0.390 108.445 108.800 0.058 0.000 2.131 281 G HA2 -0.232 3.729 3.960 0.001 0.000 0.223 281 G HA3 -0.232 3.729 3.960 0.001 0.000 0.223 281 G C -0.152 174.760 174.900 0.019 0.000 0.990 281 G CA 0.001 45.118 45.100 0.027 0.000 0.671 281 G HN 0.454 nan 8.290 nan 0.000 0.521 282 L N 0.003 121.241 121.223 0.025 0.000 2.334 282 L HA 0.703 5.043 4.340 0.001 0.000 0.272 282 L C -0.039 176.799 176.870 -0.054 0.000 1.020 282 L CA -1.156 53.674 54.840 -0.017 0.000 0.812 282 L CB 1.731 43.781 42.059 -0.016 0.000 1.264 282 L HN 0.056 nan 8.230 nan 0.000 0.439 283 N N 1.069 119.718 118.700 -0.086 0.000 2.324 283 N HA 0.153 4.894 4.740 0.001 0.000 0.285 283 N C -1.575 173.844 175.510 -0.152 0.000 1.076 283 N CA -0.453 52.539 53.050 -0.097 0.000 0.864 283 N CB 2.428 40.898 38.487 -0.028 0.000 1.632 283 N HN 0.639 nan 8.380 nan 0.000 0.478 284 D N 1.128 121.372 120.400 -0.259 0.000 2.705 284 D HA -0.161 4.479 4.640 0.001 0.000 0.240 284 D C -0.183 175.927 176.300 -0.316 0.000 1.137 284 D CA 0.980 54.822 54.000 -0.263 0.000 0.677 284 D CB -1.151 39.716 40.800 0.112 0.000 1.049 284 D HN 0.596 nan 8.370 nan 0.000 0.427 285 I N -4.514 115.687 120.570 -0.616 0.000 2.882 285 I HA 0.482 4.652 4.170 0.001 0.000 0.298 285 I C -1.323 174.555 176.117 -0.398 0.000 1.462 285 I CA -1.231 59.878 61.300 -0.318 0.000 1.000 285 I CB 1.513 39.379 38.000 -0.223 0.000 1.340 285 I HN -0.246 nan 8.210 nan 0.000 0.462 286 Y N 4.477 124.732 120.300 -0.074 0.000 2.308 286 Y HA 0.789 5.340 4.550 0.001 0.000 0.329 286 Y C -0.013 175.858 175.900 -0.047 0.000 1.111 286 Y CA -0.140 57.930 58.100 -0.051 0.000 1.179 286 Y CB 1.572 40.073 38.460 0.068 0.000 1.201 286 Y HN 0.496 nan 8.280 nan 0.000 0.483 287 I N 0.809 121.409 120.570 0.050 0.000 3.004 287 I HA 0.476 4.647 4.170 0.001 0.000 0.305 287 I C -0.248 175.864 176.117 -0.008 0.000 1.312 287 I CA -0.936 60.373 61.300 0.014 0.000 0.992 287 I CB 1.972 39.945 38.000 -0.045 0.000 1.282 287 I HN 0.694 nan 8.210 nan 0.000 0.449 288 G N 2.583 111.365 108.800 -0.029 0.000 2.334 288 G HA2 0.455 4.415 3.960 0.001 0.000 0.261 288 G HA3 0.455 4.415 3.960 0.001 0.000 0.261 288 G C -0.502 174.303 174.900 -0.158 0.000 1.257 288 G CA 0.347 45.406 45.100 -0.068 0.000 0.935 288 G HN 0.596 nan 8.290 nan 0.000 0.480 289 T N 3.174 117.646 114.554 -0.136 0.000 2.957 289 T HA 0.509 4.860 4.350 0.001 0.000 0.336 289 T C -2.973 171.617 174.700 -0.184 0.000 1.462 289 T CA -0.905 61.080 62.100 -0.192 0.000 1.073 289 T CB 1.956 70.775 68.868 -0.082 0.000 1.319 289 T HN 0.198 nan 8.240 nan 0.000 0.485 290 P HA 0.468 nan 4.420 nan 0.000 0.264 290 P C -1.340 175.874 177.300 -0.143 0.000 1.183 290 P CA 0.111 62.987 63.100 -0.373 0.000 0.763 290 P CB 0.483 31.692 31.700 -0.819 0.000 0.807 291 A N 2.611 125.397 122.820 -0.057 0.000 2.606 291 A HA 0.579 4.899 4.320 0.001 0.000 0.293 291 A C -1.328 176.264 177.584 0.014 0.000 1.082 291 A CA -0.545 51.483 52.037 -0.014 0.000 0.685 291 A CB 1.125 20.127 19.000 0.003 0.000 1.284 291 A HN 0.252 nan 8.150 nan 0.000 0.408 292 V N 1.924 121.849 119.914 0.018 0.000 2.394 292 V HA 0.517 4.638 4.120 0.001 0.000 0.282 292 V C -0.124 175.990 176.094 0.033 0.000 1.031 292 V CA -0.199 62.117 62.300 0.027 0.000 0.881 292 V CB 1.092 32.929 31.823 0.022 0.000 0.982 292 V HN 0.731 nan 8.190 nan 0.000 0.451 293 I N 5.462 126.056 120.570 0.040 0.000 2.646 293 I HA 0.682 4.853 4.170 0.001 0.000 0.299 293 I C -0.673 175.471 176.117 0.044 0.000 1.036 293 I CA -0.299 61.029 61.300 0.046 0.000 1.074 293 I CB 2.176 40.208 38.000 0.053 0.000 1.258 293 I HN 0.934 nan 8.210 nan 0.000 0.430 294 N N 4.372 123.099 118.700 0.045 0.000 3.344 294 N HA 0.290 5.031 4.740 0.001 0.000 0.296 294 N C 0.199 175.736 175.510 0.044 0.000 1.571 294 N CA -0.932 52.143 53.050 0.041 0.000 0.844 294 N CB 0.370 38.876 38.487 0.033 0.000 1.718 294 N HN 0.532 nan 8.380 nan 0.000 0.589 295 R N -0.523 120.000 120.500 0.039 0.000 2.154 295 R HA -0.100 4.241 4.340 0.001 0.000 0.248 295 R C -0.406 175.917 176.300 0.037 0.000 1.155 295 R CA 1.608 57.731 56.100 0.038 0.000 0.979 295 R CB -0.530 29.788 30.300 0.031 0.000 0.869 295 R HN 0.598 nan 8.270 nan 0.000 0.452 296 N N 0.298 119.019 118.700 0.035 0.000 2.320 296 N HA 0.127 4.868 4.740 0.001 0.000 0.237 296 N C 0.273 175.813 175.510 0.050 0.000 1.129 296 N CA 0.815 53.886 53.050 0.034 0.000 0.854 296 N CB 1.256 39.756 38.487 0.022 0.000 1.083 296 N HN 0.505 nan 8.380 nan 0.000 0.504 297 G N 0.973 109.809 108.800 0.061 0.000 2.475 297 G HA2 -0.240 3.721 3.960 0.001 0.000 0.223 297 G HA3 -0.240 3.721 3.960 0.001 0.000 0.223 297 G C -0.515 174.425 174.900 0.068 0.000 1.201 297 G CA -0.738 44.410 45.100 0.079 0.000 0.962 297 G HN 0.172 nan 8.290 nan 0.000 0.586 298 I N 2.081 122.694 120.570 0.072 0.000 2.337 298 I HA 0.283 4.453 4.170 0.001 0.000 0.291 298 I C 1.555 177.695 176.117 0.038 0.000 1.046 298 I CA 0.135 61.470 61.300 0.057 0.000 1.324 298 I CB 1.605 39.645 38.000 0.067 0.000 1.409 298 I HN 0.755 nan 8.210 nan 0.000 0.494 299 Q N 5.659 125.477 119.800 0.030 0.000 2.165 299 Q HA 0.077 4.418 4.340 0.001 0.000 0.197 299 Q C -0.156 175.852 176.000 0.012 0.000 0.952 299 Q CA 0.937 56.753 55.803 0.020 0.000 0.848 299 Q CB 0.582 29.332 28.738 0.020 0.000 0.931 299 Q HN 0.658 nan 8.270 nan 0.000 0.470 300 N N -0.045 118.661 118.700 0.011 0.000 2.331 300 N HA 0.354 5.095 4.740 0.001 0.000 0.280 300 N C -1.496 174.013 175.510 -0.002 0.000 1.155 300 N CA -0.428 52.623 53.050 0.001 0.000 0.822 300 N CB 1.881 40.367 38.487 -0.002 0.000 1.619 300 N HN 0.085 nan 8.380 nan 0.000 0.476 301 I N 2.041 122.604 120.570 -0.011 0.000 2.330 301 I HA 0.309 4.480 4.170 0.001 0.000 0.289 301 I C 0.015 176.114 176.117 -0.029 0.000 1.001 301 I CA -0.623 60.670 61.300 -0.012 0.000 1.193 301 I CB 1.109 39.105 38.000 -0.008 0.000 1.345 301 I HN 0.196 nan 8.210 nan 0.000 0.461 302 L N 6.635 127.836 121.223 -0.036 0.000 2.349 302 L HA 0.341 4.682 4.340 0.001 0.000 0.275 302 L C 0.205 177.041 176.870 -0.057 0.000 1.115 302 L CA -0.346 54.460 54.840 -0.057 0.000 0.820 302 L CB 0.478 42.489 42.059 -0.081 0.000 1.135 302 L HN 0.582 nan 8.230 nan 0.000 0.445 303 E N 3.554 123.679 120.200 -0.125 0.000 2.070 303 E HA 0.313 4.663 4.350 0.001 0.000 0.261 303 E C -0.852 175.681 176.600 -0.112 0.000 0.926 303 E CA -0.737 55.489 56.400 -0.290 0.000 0.760 303 E CB 1.489 30.944 29.700 -0.409 0.000 1.133 303 E HN 0.324 nan 8.360 nan 0.000 0.420 304 I N 4.244 124.845 120.570 0.052 0.000 2.474 304 I HA 0.130 4.301 4.170 0.001 0.000 0.287 304 I C -2.134 174.100 176.117 0.195 0.000 1.048 304 I CA -2.664 58.688 61.300 0.088 0.000 1.383 304 I CB 0.408 38.378 38.000 -0.050 0.000 1.412 304 I HN 0.246 nan 8.210 nan 0.000 0.531 305 P HA 0.161 nan 4.420 nan 0.000 0.264 305 P C -0.857 176.593 177.300 0.250 0.000 1.229 305 P CA 0.183 63.413 63.100 0.215 0.000 0.780 305 P CB 0.121 31.943 31.700 0.203 0.000 0.808 306 L N 2.277 123.629 121.223 0.214 0.000 2.334 306 L HA 0.397 4.738 4.340 0.001 0.000 0.275 306 L C 1.197 178.155 176.870 0.148 0.000 1.036 306 L CA -0.566 54.399 54.840 0.209 0.000 0.807 306 L CB 1.559 43.756 42.059 0.230 0.000 1.231 306 L HN 0.252 nan 8.230 nan 0.000 0.438 307 T N -0.401 114.239 114.554 0.144 0.000 2.726 307 T HA -0.006 4.345 4.350 0.001 0.000 0.294 307 T C 0.964 175.717 174.700 0.089 0.000 1.013 307 T CA -0.388 61.782 62.100 0.118 0.000 0.996 307 T CB 0.587 69.539 68.868 0.140 0.000 1.016 307 T HN 0.618 nan 8.240 nan 0.000 0.529 308 D N 0.116 120.566 120.400 0.084 0.000 2.104 308 D HA -0.131 4.509 4.640 0.001 0.000 0.194 308 D C 1.664 178.008 176.300 0.074 0.000 0.994 308 D CA 1.613 55.653 54.000 0.067 0.000 0.830 308 D CB -0.243 40.594 40.800 0.062 0.000 0.959 308 D HN 0.672 nan 8.370 nan 0.000 0.452 309 H N 1.258 120.323 119.070 -0.008 0.000 2.357 309 H HA 0.000 4.557 4.556 0.001 0.000 0.301 309 H C 1.731 177.002 175.328 -0.096 0.000 1.082 309 H CA 1.522 57.547 56.048 -0.039 0.000 1.342 309 H CB 0.076 29.832 29.762 -0.010 0.000 1.389 309 H HN 0.143 nan 8.280 nan 0.000 0.511 310 E N -0.234 119.888 120.200 -0.130 0.000 2.150 310 E HA -0.143 4.208 4.350 0.001 0.000 0.193 310 E C 1.931 178.344 176.600 -0.311 0.000 0.985 310 E CA 0.745 57.003 56.400 -0.235 0.000 0.814 310 E CB 0.165 29.913 29.700 0.080 0.000 0.752 310 E HN 0.424 nan 8.360 nan 0.000 0.466 311 E N 1.088 121.210 120.200 -0.130 0.000 2.107 311 E HA -0.181 4.169 4.350 0.001 0.000 0.191 311 E C 1.826 178.319 176.600 -0.178 0.000 0.982 311 E CA 0.789 57.138 56.400 -0.085 0.000 0.809 311 E CB 0.076 29.781 29.700 0.007 0.000 0.756 311 E HN 0.299 nan 8.360 nan 0.000 0.459 312 E N -0.067 120.016 120.200 -0.196 0.000 2.077 312 E HA -0.122 4.229 4.350 0.001 0.000 0.193 312 E C 2.001 178.409 176.600 -0.320 0.000 0.989 312 E CA 1.159 57.448 56.400 -0.186 0.000 0.800 312 E CB 0.118 29.761 29.700 -0.095 0.000 0.746 312 E HN 0.033 nan 8.360 nan 0.000 0.452 313 S N 0.468 115.815 115.700 -0.588 0.000 2.370 313 S HA -0.212 4.259 4.470 0.001 0.000 0.226 313 S C 1.789 175.941 174.600 -0.747 0.000 1.033 313 S CA 1.481 59.190 58.200 -0.819 0.000 1.011 313 S CB -0.249 62.064 63.200 -1.478 0.000 0.852 313 S HN 0.275 nan 8.310 nan 0.000 0.457 314 M N 1.600 120.763 119.600 -0.729 0.000 2.086 314 M HA -0.093 4.388 4.480 0.001 0.000 0.261 314 M C 2.017 178.238 176.300 -0.132 0.000 1.067 314 M CA 1.467 56.618 55.300 -0.249 0.000 1.116 314 M CB -0.431 32.109 32.600 -0.099 0.000 1.348 314 M HN 0.069 nan 8.290 nan 0.000 0.407 315 Q N 0.355 120.073 119.800 -0.138 0.000 2.050 315 Q HA -0.186 4.155 4.340 0.001 0.000 0.202 315 Q C 2.130 178.082 176.000 -0.082 0.000 0.980 315 Q CA 1.773 57.526 55.803 -0.082 0.000 0.840 315 Q CB -0.572 28.124 28.738 -0.069 0.000 0.898 315 Q HN 0.605 nan 8.270 nan 0.000 0.424 316 K N 0.383 120.717 120.400 -0.111 0.000 2.032 316 K HA -0.119 4.202 4.320 0.001 0.000 0.209 316 K C 2.361 178.924 176.600 -0.062 0.000 1.048 316 K CA 1.463 57.699 56.287 -0.085 0.000 0.927 316 K CB -0.280 32.158 32.500 -0.104 0.000 0.712 316 K HN 0.039 nan 8.250 nan 0.000 0.441 317 S N 0.388 116.052 115.700 -0.060 0.000 2.368 317 S HA -0.124 4.347 4.470 0.001 0.000 0.225 317 S C 2.051 176.640 174.600 -0.019 0.000 1.030 317 S CA 1.205 59.396 58.200 -0.014 0.000 0.999 317 S CB -0.165 63.066 63.200 0.051 0.000 0.844 317 S HN 0.384 nan 8.310 nan 0.000 0.459 318 A N 1.192 123.994 122.820 -0.030 0.000 1.873 318 A HA -0.032 4.289 4.320 0.001 0.000 0.215 318 A C 2.445 180.001 177.584 -0.046 0.000 1.186 318 A CA 2.101 54.115 52.037 -0.039 0.000 0.616 318 A CB -1.243 17.730 19.000 -0.044 0.000 0.823 318 A HN 0.776 nan 8.150 nan 0.000 0.442 319 S N -0.503 115.171 115.700 -0.044 0.000 2.368 319 S HA -0.263 4.208 4.470 0.001 0.000 0.225 319 S C 2.092 176.670 174.600 -0.037 0.000 1.030 319 S CA 1.543 59.718 58.200 -0.041 0.000 0.999 319 S CB -0.506 62.672 63.200 -0.037 0.000 0.844 319 S HN 0.618 nan 8.310 nan 0.000 0.459 320 Q N 0.864 120.644 119.800 -0.033 0.000 2.079 320 Q HA -0.080 4.261 4.340 0.001 0.000 0.200 320 Q C 2.206 178.191 176.000 -0.026 0.000 0.974 320 Q CA 1.261 57.048 55.803 -0.027 0.000 0.840 320 Q CB -0.498 28.225 28.738 -0.025 0.000 0.898 320 Q HN 0.600 nan 8.270 nan 0.000 0.430 321 L N 1.206 122.412 121.223 -0.028 0.000 1.994 321 L HA -0.186 4.155 4.340 0.001 0.000 0.208 321 L C 2.258 179.101 176.870 -0.044 0.000 1.071 321 L CA 2.099 56.923 54.840 -0.027 0.000 0.745 321 L CB -0.803 41.241 42.059 -0.025 0.000 0.892 321 L HN 0.214 nan 8.230 nan 0.000 0.431 322 K N -0.042 120.320 120.400 -0.063 0.000 2.103 322 K HA -0.269 4.052 4.320 0.001 0.000 0.207 322 K C 2.225 178.788 176.600 -0.061 0.000 1.048 322 K CA 2.020 58.254 56.287 -0.087 0.000 0.930 322 K CB -0.048 32.402 32.500 -0.083 0.000 0.716 322 K HN 0.307 nan 8.250 nan 0.000 0.444 323 K N 0.337 120.715 120.400 -0.037 0.000 1.991 323 K HA -0.144 4.177 4.320 0.001 0.000 0.212 323 K C 1.769 178.365 176.600 -0.006 0.000 1.049 323 K CA 1.742 58.017 56.287 -0.020 0.000 0.932 323 K CB -0.075 32.415 32.500 -0.016 0.000 0.717 323 K HN -0.035 nan 8.250 nan 0.000 0.441 324 V N 1.671 121.582 119.914 -0.004 0.000 2.594 324 V HA -0.216 3.905 4.120 0.001 0.000 0.253 324 V C 2.228 178.344 176.094 0.037 0.000 1.069 324 V CA 1.273 63.580 62.300 0.012 0.000 1.082 324 V CB -0.438 31.390 31.823 0.007 0.000 0.680 324 V HN 0.371 nan 8.190 nan 0.000 0.469 325 L N -0.198 121.035 121.223 0.017 0.000 2.179 325 L HA -0.046 4.295 4.340 0.001 0.000 0.208 325 L C 2.320 179.248 176.870 0.097 0.000 1.096 325 L CA 2.112 56.977 54.840 0.040 0.000 0.779 325 L CB -0.777 41.217 42.059 -0.109 0.000 0.922 325 L HN 0.314 nan 8.230 nan 0.000 0.443 326 T N -0.500 114.075 114.554 0.035 0.000 2.698 326 T HA -0.109 4.241 4.350 0.001 0.000 0.260 326 T C 1.377 176.151 174.700 0.123 0.000 1.044 326 T CA 1.339 63.471 62.100 0.054 0.000 1.149 326 T CB -0.320 68.553 68.868 0.008 0.000 0.864 326 T HN 0.310 nan 8.240 nan 0.000 0.419 327 D N 2.046 122.493 120.400 0.078 0.000 2.172 327 D HA -0.105 4.535 4.640 0.001 0.000 0.196 327 D C 2.234 178.586 176.300 0.086 0.000 0.999 327 D CA 1.275 55.316 54.000 0.067 0.000 0.856 327 D CB -0.685 40.137 40.800 0.036 0.000 0.934 327 D HN 0.415 nan 8.370 nan 0.000 0.453 328 A N -0.126 122.762 122.820 0.113 0.000 1.986 328 A HA -0.136 4.185 4.320 0.001 0.000 0.220 328 A C 0.981 178.559 177.584 -0.009 0.000 1.171 328 A CA 1.023 53.097 52.037 0.062 0.000 0.640 328 A CB -0.508 18.555 19.000 0.106 0.000 0.811 328 A HN 0.113 nan 8.150 nan 0.000 0.451 329 F N 0.000 119.960 119.950 0.016 0.000 2.286 329 F HA 0.000 4.528 4.527 0.001 0.000 0.279 329 F CA 0.000 58.015 58.000 0.024 0.000 1.383 329 F CB 0.000 39.025 39.000 0.042 0.000 1.145 329 F HN 0.000 nan 8.300 nan 0.000 0.574