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 3doi_1_B DATA FIRST_RESID 21 DATA SEQUENCE VKSVTLITKV FPEGEKVCAV VIEYPVEIDG QKLSPDQFSV KVKTGDTYSS DATA SEQUENCE RTITKVYANN SGGLSFSIFN NRGKYVVLEL STEDLHSNTI VFGPNFLNTR DATA SEQUENCE MKLDYIVSQL VPIFDVDGNE VEPFTSKQTD EKHLIIDDFL AFTFKDPETG DATA SEQUENCE VEIPYRLFVP KDVNPDRKYP LVVFLHGAGE RGTDNYLQVA GNRGAVVWAQ DATA SEQUENCE PRYQVVHPCF VLAPQCPPNS SWSTLFTDXX NPFNPEKPLL AVIKIIRKLL DATA SEQUENCE DEYNIDENRI YITGLSMGGY GTWTAIMEFP ELFAAAIPIC GGGDVSKVER DATA SEQUENCE IKDIPIWVFH AEDDPVVPVE NSRVLVKKLA EIGGKVRYTE YEKGFMEKHG DATA SEQUENCE WDPHGSWIPT YENQEAIEWL FEQSR 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 V HA 0.000 nan 4.120 nan 0.000 0.244 21 V C 0.000 175.905 176.094 -0.315 0.000 1.182 21 V CA 0.000 62.018 62.300 -0.470 0.000 1.235 21 V CB 0.000 31.268 31.823 -0.926 0.000 1.184 22 K N 1.734 121.981 120.400 -0.255 0.000 2.026 22 K HA 0.122 4.442 4.320 -0.000 0.000 0.208 22 K C 0.762 177.274 176.600 -0.147 0.000 1.048 22 K CA 1.875 58.062 56.287 -0.167 0.000 0.929 22 K CB -0.076 32.338 32.500 -0.143 0.000 0.713 22 K HN 1.143 nan 8.250 nan 0.000 0.439 23 S N -0.926 114.670 115.700 -0.172 0.000 2.567 23 S HA 0.382 4.852 4.470 -0.000 0.000 0.270 23 S C -1.157 173.393 174.600 -0.085 0.000 1.152 23 S CA -1.083 57.056 58.200 -0.101 0.000 0.835 23 S CB 1.877 65.057 63.200 -0.034 0.000 1.115 23 S HN 0.033 nan 8.310 nan 0.000 0.459 24 V N 0.422 120.321 119.914 -0.026 0.000 2.443 24 V HA 0.863 4.982 4.120 -0.000 0.000 0.293 24 V C -0.995 175.108 176.094 0.014 0.000 1.021 24 V CA -0.074 62.238 62.300 0.021 0.000 0.848 24 V CB 1.192 33.067 31.823 0.087 0.000 0.998 24 V HN 1.054 nan 8.190 nan 0.000 0.424 25 T N 7.733 122.292 114.554 0.009 0.000 2.786 25 T HA 0.588 4.938 4.350 -0.000 0.000 0.283 25 T C -0.086 174.582 174.700 -0.052 0.000 0.992 25 T CA -0.377 61.712 62.100 -0.018 0.000 0.954 25 T CB 1.156 70.025 68.868 0.002 0.000 0.934 25 T HN 0.717 nan 8.240 nan 0.000 0.440 26 L N 3.378 124.543 121.223 -0.097 0.000 2.452 26 L HA 0.436 4.776 4.340 -0.000 0.000 0.267 26 L C -0.015 176.789 176.870 -0.111 0.000 1.188 26 L CA -0.669 54.077 54.840 -0.157 0.000 0.821 26 L CB 0.335 42.248 42.059 -0.243 0.000 1.102 26 L HN 0.434 nan 8.230 nan 0.000 0.470 27 I N 1.316 121.834 120.570 -0.087 0.000 2.439 27 I HA 0.228 4.398 4.170 -0.000 0.000 0.285 27 I C 0.250 176.376 176.117 0.016 0.000 1.021 27 I CA -0.319 60.959 61.300 -0.037 0.000 1.091 27 I CB 1.501 39.489 38.000 -0.020 0.000 1.242 27 I HN 0.586 nan 8.210 nan 0.000 0.439 28 T N 3.094 117.688 114.554 0.067 0.000 2.922 28 T HA 0.668 5.018 4.350 -0.000 0.000 0.285 28 T C -0.395 174.340 174.700 0.058 0.000 1.005 28 T CA -0.672 61.503 62.100 0.124 0.000 1.061 28 T CB 2.612 71.618 68.868 0.231 0.000 1.007 28 T HN 0.697 nan 8.240 nan 0.000 0.502 29 K N 1.464 121.867 120.400 0.004 0.000 2.543 29 K HA 0.497 4.817 4.320 -0.000 0.000 0.255 29 K C -1.741 174.623 176.600 -0.393 0.000 0.934 29 K CA -0.904 55.231 56.287 -0.254 0.000 0.810 29 K CB 2.296 34.545 32.500 -0.418 0.000 1.315 29 K HN 0.531 nan 8.250 nan 0.000 0.433 30 V N 5.289 124.959 119.914 -0.407 0.000 2.405 30 V HA 0.301 4.420 4.120 -0.000 0.000 0.264 30 V C -0.364 175.462 176.094 -0.448 0.000 1.048 30 V CA -0.123 61.990 62.300 -0.312 0.000 0.966 30 V CB -0.469 31.197 31.823 -0.261 0.000 1.015 30 V HN 0.529 nan 8.190 nan 0.000 0.477 31 F N 6.072 125.988 119.950 -0.057 0.000 2.408 31 F HA 0.427 4.953 4.527 -0.000 0.000 0.325 31 F C -1.018 174.738 175.800 -0.073 0.000 1.082 31 F CA -2.175 55.794 58.000 -0.053 0.000 1.032 31 F CB 0.713 39.701 39.000 -0.020 0.000 1.259 31 F HN 0.312 nan 8.300 nan 0.000 0.503 32 P HA -0.210 nan 4.420 nan 0.000 0.218 32 P C 0.612 177.900 177.300 -0.021 0.000 1.150 32 P CA 1.712 64.783 63.100 -0.048 0.000 0.841 32 P CB 0.165 31.759 31.700 -0.175 0.000 0.784 33 E N -1.531 118.696 120.200 0.045 0.000 2.442 33 E HA 0.320 4.669 4.350 -0.000 0.000 0.195 33 E C 1.200 177.846 176.600 0.077 0.000 1.030 33 E CA 0.613 57.039 56.400 0.042 0.000 0.869 33 E CB -0.147 29.584 29.700 0.053 0.000 0.857 33 E HN 0.233 nan 8.360 nan 0.000 0.505 34 G N 0.163 109.022 108.800 0.098 0.000 2.315 34 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.296 34 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.296 34 G C -1.388 173.586 174.900 0.124 0.000 1.289 34 G CA -0.838 44.306 45.100 0.074 0.000 0.996 34 G HN 0.052 nan 8.290 nan 0.000 0.487 35 E N 0.228 120.483 120.200 0.093 0.000 2.343 35 E HA 0.586 4.936 4.350 -0.000 0.000 0.269 35 E C -0.433 176.284 176.600 0.195 0.000 1.047 35 E CA -0.203 56.273 56.400 0.125 0.000 0.874 35 E CB 0.567 30.321 29.700 0.090 0.000 1.033 35 E HN 0.422 nan 8.360 nan 0.000 0.409 36 K N 1.699 122.260 120.400 0.269 0.000 2.546 36 K HA 0.278 4.597 4.320 -0.000 0.000 0.264 36 K C -1.412 175.327 176.600 0.231 0.000 0.937 36 K CA -0.829 55.613 56.287 0.257 0.000 0.833 36 K CB 2.230 34.888 32.500 0.263 0.000 1.378 36 K HN 0.274 nan 8.250 nan 0.000 0.432 37 V N 1.770 121.782 119.914 0.163 0.000 2.488 37 V HA 0.055 4.175 4.120 -0.000 0.000 0.277 37 V C 1.019 177.186 176.094 0.121 0.000 1.046 37 V CA -0.277 62.076 62.300 0.088 0.000 0.986 37 V CB 0.405 32.199 31.823 -0.047 0.000 0.989 37 V HN 1.111 nan 8.190 nan 0.000 0.475 38 C N 2.208 121.581 119.300 0.123 0.000 3.931 38 C HA 0.831 5.291 4.460 -0.000 0.000 0.378 38 C C 0.571 175.607 174.990 0.077 0.000 1.554 38 C CA 0.158 59.260 59.018 0.139 0.000 1.926 38 C CB -0.661 27.270 27.740 0.318 0.000 2.837 38 C HN 1.013 nan 8.230 nan 0.000 0.701 39 A N 0.351 123.190 122.820 0.031 0.000 2.574 39 A HA 0.729 5.049 4.320 -0.000 0.000 0.297 39 A C -1.551 176.001 177.584 -0.053 0.000 1.062 39 A CA -0.215 51.812 52.037 -0.018 0.000 0.686 39 A CB 1.226 20.217 19.000 -0.014 0.000 1.285 39 A HN 0.468 nan 8.150 nan 0.000 0.403 40 V N 1.620 121.492 119.914 -0.069 0.000 2.448 40 V HA 0.523 4.642 4.120 -0.000 0.000 0.295 40 V C -0.596 175.457 176.094 -0.069 0.000 1.025 40 V CA -0.462 61.800 62.300 -0.063 0.000 0.859 40 V CB 1.671 33.475 31.823 -0.031 0.000 0.988 40 V HN 0.713 nan 8.190 nan 0.000 0.431 41 V N 6.941 126.839 119.914 -0.026 0.000 2.384 41 V HA 0.500 4.620 4.120 -0.000 0.000 0.287 41 V C -0.196 175.943 176.094 0.074 0.000 1.020 41 V CA -0.368 61.946 62.300 0.023 0.000 0.850 41 V CB 1.696 33.546 31.823 0.046 0.000 0.987 41 V HN 0.668 nan 8.190 nan 0.000 0.436 42 I N 4.256 124.880 120.570 0.090 0.000 2.354 42 I HA 0.350 4.520 4.170 -0.000 0.000 0.286 42 I C 0.335 176.454 176.117 0.003 0.000 1.007 42 I CA -0.222 61.103 61.300 0.042 0.000 1.167 42 I CB 1.375 39.420 38.000 0.075 0.000 1.320 42 I HN 0.598 nan 8.210 nan 0.000 0.458 43 E N 6.485 126.615 120.200 -0.117 0.000 2.105 43 E HA 0.224 4.574 4.350 -0.000 0.000 0.285 43 E C -1.177 175.241 176.600 -0.304 0.000 1.055 43 E CA -0.355 55.899 56.400 -0.244 0.000 0.843 43 E CB 0.780 30.331 29.700 -0.248 0.000 1.067 43 E HN 0.376 nan 8.360 nan 0.000 0.398 44 Y N 3.928 124.093 120.300 -0.225 0.000 2.334 44 Y HA 0.163 4.713 4.550 -0.000 0.000 0.325 44 Y C -1.134 174.665 175.900 -0.168 0.000 1.308 44 Y CA -1.621 56.381 58.100 -0.164 0.000 1.389 44 Y CB 0.562 38.972 38.460 -0.084 0.000 1.328 44 Y HN 0.512 nan 8.280 nan 0.000 0.532 45 P HA 0.110 nan 4.420 nan 0.000 0.261 45 P C -0.332 176.986 177.300 0.030 0.000 1.268 45 P CA 0.660 63.762 63.100 0.004 0.000 0.833 45 P CB 0.878 32.569 31.700 -0.016 0.000 1.231 46 V N -0.579 119.377 119.914 0.071 0.000 3.149 46 V HA 0.394 4.514 4.120 -0.000 0.000 0.310 46 V C -1.093 174.999 176.094 -0.002 0.000 1.353 46 V CA -1.033 61.283 62.300 0.026 0.000 1.040 46 V CB 2.605 34.441 31.823 0.021 0.000 1.136 46 V HN -0.226 nan 8.190 nan 0.000 0.477 47 E N 2.007 122.194 120.200 -0.021 0.000 2.145 47 E HA 0.445 4.795 4.350 -0.000 0.000 0.270 47 E C -1.339 175.225 176.600 -0.060 0.000 0.906 47 E CA -0.524 55.861 56.400 -0.025 0.000 0.761 47 E CB 1.703 31.409 29.700 0.010 0.000 1.116 47 E HN 0.329 nan 8.360 nan 0.000 0.408 48 I N 2.149 122.654 120.570 -0.108 0.000 2.353 48 I HA 0.105 4.274 4.170 -0.000 0.000 0.293 48 I C 0.210 176.320 176.117 -0.012 0.000 0.992 48 I CA -0.722 60.499 61.300 -0.131 0.000 1.268 48 I CB 1.012 38.814 38.000 -0.330 0.000 1.387 48 I HN 0.507 nan 8.210 nan 0.000 0.478 49 D N 4.564 124.980 120.400 0.026 0.000 2.402 49 D HA 0.226 4.866 4.640 -0.000 0.000 0.235 49 D C 1.367 177.716 176.300 0.083 0.000 1.226 49 D CA -0.105 53.932 54.000 0.062 0.000 0.918 49 D CB 0.970 41.807 40.800 0.062 0.000 1.043 49 D HN 0.739 nan 8.370 nan 0.000 0.506 50 G N 3.082 111.940 108.800 0.096 0.000 2.443 50 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.219 50 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.219 50 G C 1.296 176.259 174.900 0.106 0.000 1.131 50 G CA 0.628 45.794 45.100 0.111 0.000 0.775 50 G HN 0.533 nan 8.290 nan 0.000 0.547 51 Q N 0.781 120.643 119.800 0.103 0.000 2.124 51 Q HA -0.223 4.117 4.340 -0.000 0.000 0.215 51 Q C 1.963 178.009 176.000 0.077 0.000 1.015 51 Q CA 2.060 57.915 55.803 0.086 0.000 0.890 51 Q CB -0.181 28.598 28.738 0.067 0.000 0.966 51 Q HN 0.450 nan 8.270 nan 0.000 0.412 52 K N -0.632 119.821 120.400 0.088 0.000 2.437 52 K HA 0.097 4.417 4.320 -0.000 0.000 0.198 52 K C -0.532 176.147 176.600 0.132 0.000 1.024 52 K CA -0.353 55.999 56.287 0.108 0.000 1.148 52 K CB 0.331 32.913 32.500 0.137 0.000 0.860 52 K HN 0.101 nan 8.250 nan 0.000 0.515 53 L N 0.319 121.616 121.223 0.123 0.000 2.439 53 L HA 0.215 4.555 4.340 -0.000 0.000 0.261 53 L C 0.123 177.072 176.870 0.130 0.000 1.153 53 L CA 0.295 55.227 54.840 0.153 0.000 0.808 53 L CB 1.610 43.766 42.059 0.161 0.000 1.126 53 L HN -0.160 nan 8.230 nan 0.000 0.460 54 S N 1.279 117.085 115.700 0.176 0.000 2.536 54 S HA 0.519 4.989 4.470 -0.000 0.000 0.271 54 S C -2.190 172.522 174.600 0.187 0.000 1.134 54 S CA -0.943 57.335 58.200 0.129 0.000 0.897 54 S CB 1.709 64.960 63.200 0.085 0.000 1.094 54 S HN 0.364 nan 8.310 nan 0.000 0.473 55 P HA -0.109 nan 4.420 nan 0.000 0.215 55 P C 0.644 178.033 177.300 0.148 0.000 1.153 55 P CA 1.263 64.438 63.100 0.125 0.000 0.853 55 P CB -0.153 31.577 31.700 0.051 0.000 0.788 56 D N -0.654 119.795 120.400 0.082 0.000 2.400 56 D HA -0.171 4.469 4.640 -0.000 0.000 0.242 56 D C 1.225 177.526 176.300 0.001 0.000 1.077 56 D CA 0.805 54.829 54.000 0.039 0.000 0.943 56 D CB -0.973 39.836 40.800 0.015 0.000 0.882 56 D HN 0.315 nan 8.370 nan 0.000 0.529 57 Q N -1.165 118.644 119.800 0.015 0.000 2.352 57 Q HA 0.216 4.556 4.340 -0.000 0.000 0.212 57 Q C -0.283 175.419 176.000 -0.496 0.000 0.888 57 Q CA 0.170 55.824 55.803 -0.249 0.000 0.934 57 Q CB 0.465 28.988 28.738 -0.359 0.000 1.093 57 Q HN 0.305 nan 8.270 nan 0.000 0.523 58 F N -0.707 119.211 119.950 -0.054 0.000 2.654 58 F HA 0.554 5.080 4.527 -0.000 0.000 0.334 58 F C -0.052 175.698 175.800 -0.083 0.000 1.078 58 F CA -1.266 56.685 58.000 -0.081 0.000 0.986 58 F CB 1.974 40.938 39.000 -0.060 0.000 1.362 58 F HN -0.331 nan 8.300 nan 0.000 0.498 59 S N 0.501 116.264 115.700 0.106 0.000 2.546 59 S HA 0.795 5.265 4.470 -0.000 0.000 0.272 59 S C -2.080 172.527 174.600 0.012 0.000 1.140 59 S CA -0.493 57.720 58.200 0.023 0.000 0.920 59 S CB 1.501 64.673 63.200 -0.047 0.000 1.083 59 S HN 0.469 nan 8.310 nan 0.000 0.476 60 V N 4.339 124.264 119.914 0.018 0.000 2.623 60 V HA 0.614 4.733 4.120 -0.000 0.000 0.304 60 V C -0.709 175.380 176.094 -0.009 0.000 1.054 60 V CA -0.667 61.658 62.300 0.042 0.000 0.882 60 V CB 1.932 33.825 31.823 0.117 0.000 1.002 60 V HN 0.919 nan 8.190 nan 0.000 0.424 61 K N 2.446 122.797 120.400 -0.081 0.000 2.426 61 K HA 0.737 5.056 4.320 -0.000 0.000 0.251 61 K C -1.364 175.047 176.600 -0.315 0.000 0.941 61 K CA -0.778 55.422 56.287 -0.146 0.000 0.808 61 K CB 2.940 35.355 32.500 -0.143 0.000 1.265 61 K HN 0.435 nan 8.250 nan 0.000 0.432 62 V N 3.053 122.720 119.914 -0.412 0.000 2.347 62 V HA 0.288 4.408 4.120 -0.000 0.000 0.280 62 V C -0.696 175.248 176.094 -0.249 0.000 1.021 62 V CA -0.634 61.285 62.300 -0.636 0.000 0.847 62 V CB 1.038 32.421 31.823 -0.733 0.000 0.990 62 V HN 0.647 nan 8.190 nan 0.000 0.444 63 K N 5.119 125.382 120.400 -0.228 0.000 2.472 63 K HA 0.357 4.677 4.320 -0.000 0.000 0.280 63 K C -0.233 176.162 176.600 -0.340 0.000 1.028 63 K CA 1.011 56.965 56.287 -0.555 0.000 1.045 63 K CB 0.255 32.349 32.500 -0.678 0.000 0.902 63 K HN 1.020 nan 8.250 nan 0.000 0.478 64 T N 0.823 115.174 114.554 -0.338 0.000 3.578 64 T HA 0.361 4.711 4.350 -0.000 0.000 0.343 64 T C 0.491 175.069 174.700 -0.202 0.000 1.126 64 T CA -0.681 61.276 62.100 -0.238 0.000 1.092 64 T CB 1.416 70.106 68.868 -0.296 0.000 1.160 64 T HN 0.444 nan 8.240 nan 0.000 0.469 65 G N 0.952 109.678 108.800 -0.124 0.000 2.887 65 G HA2 0.134 4.094 3.960 -0.000 0.000 0.211 65 G HA3 0.134 4.094 3.960 -0.000 0.000 0.211 65 G C 0.776 175.588 174.900 -0.147 0.000 1.152 65 G CA 0.506 45.535 45.100 -0.119 0.000 0.769 65 G HN 0.719 nan 8.290 nan 0.000 0.541 66 D N 0.549 120.865 120.400 -0.140 0.000 2.652 66 D HA 0.031 4.671 4.640 -0.000 0.000 0.261 66 D C 1.727 177.919 176.300 -0.181 0.000 1.024 66 D CA 1.054 54.975 54.000 -0.133 0.000 0.958 66 D CB -0.073 40.679 40.800 -0.080 0.000 1.113 66 D HN 0.225 nan 8.370 nan 0.000 0.471 67 T N -1.841 112.615 114.554 -0.163 0.000 2.788 67 T HA 0.371 4.720 4.350 -0.000 0.000 0.280 67 T C -0.006 174.533 174.700 -0.269 0.000 0.984 67 T CA -0.503 61.507 62.100 -0.149 0.000 0.972 67 T CB 0.620 69.445 68.868 -0.072 0.000 1.039 67 T HN -0.026 nan 8.240 nan 0.000 0.530 68 Y N 0.201 120.432 120.300 -0.115 0.000 2.488 68 Y HA 0.562 5.112 4.550 -0.000 0.000 0.325 68 Y C 0.870 176.672 175.900 -0.163 0.000 1.204 68 Y CA -0.520 57.488 58.100 -0.154 0.000 1.229 68 Y CB 1.835 40.219 38.460 -0.127 0.000 1.274 68 Y HN 0.987 nan 8.280 nan 0.000 0.493 69 S N -0.630 115.065 115.700 -0.009 0.000 2.556 69 S HA 0.524 4.994 4.470 -0.000 0.000 0.271 69 S C -1.012 173.566 174.600 -0.037 0.000 1.135 69 S CA -1.158 57.018 58.200 -0.040 0.000 0.858 69 S CB 1.443 64.593 63.200 -0.084 0.000 1.114 69 S HN 0.457 nan 8.310 nan 0.000 0.468 70 S N 1.696 117.387 115.700 -0.015 0.000 2.568 70 S HA 0.377 4.847 4.470 -0.000 0.000 0.282 70 S C 0.025 174.630 174.600 0.008 0.000 1.338 70 S CA -0.409 57.784 58.200 -0.012 0.000 1.045 70 S CB -0.023 63.175 63.200 -0.003 0.000 0.873 70 S HN 0.488 nan 8.310 nan 0.000 0.516 71 R N 1.492 122.001 120.500 0.016 0.000 2.664 71 R HA 0.418 4.758 4.340 -0.000 0.000 0.286 71 R C -0.452 175.871 176.300 0.038 0.000 0.967 71 R CA -0.536 55.593 56.100 0.048 0.000 0.933 71 R CB 1.254 31.613 30.300 0.097 0.000 1.146 71 R HN 0.521 nan 8.270 nan 0.000 0.468 72 T N 3.559 118.133 114.554 0.034 0.000 2.729 72 T HA 0.391 4.741 4.350 -0.000 0.000 0.296 72 T C 0.810 175.520 174.700 0.018 0.000 0.928 72 T CA -0.316 61.797 62.100 0.021 0.000 1.045 72 T CB 0.252 69.128 68.868 0.013 0.000 0.902 72 T HN 0.297 nan 8.240 nan 0.000 0.500 73 I N 3.817 124.397 120.570 0.015 0.000 2.396 73 I HA 0.142 4.312 4.170 -0.000 0.000 0.289 73 I C 1.731 177.846 176.117 -0.004 0.000 1.056 73 I CA -0.253 61.047 61.300 0.000 0.000 1.365 73 I CB 1.174 39.176 38.000 0.003 0.000 1.407 73 I HN 0.765 nan 8.210 nan 0.000 0.509 74 T N 1.611 116.157 114.554 -0.013 0.000 3.015 74 T HA 0.299 4.649 4.350 -0.000 0.000 0.250 74 T C 0.509 175.203 174.700 -0.010 0.000 1.057 74 T CA 0.085 62.182 62.100 -0.005 0.000 1.066 74 T CB 0.313 69.182 68.868 0.002 0.000 0.959 74 T HN 0.416 nan 8.240 nan 0.000 0.488 75 K N -0.143 120.236 120.400 -0.035 0.000 2.575 75 K HA 0.716 5.035 4.320 -0.000 0.000 0.279 75 K C -2.010 174.499 176.600 -0.151 0.000 0.969 75 K CA -0.634 55.624 56.287 -0.047 0.000 0.868 75 K CB 3.073 35.582 32.500 0.016 0.000 1.457 75 K HN 0.005 nan 8.250 nan 0.000 0.426 76 V N 2.240 122.058 119.914 -0.160 0.000 2.971 76 V HA 0.745 4.865 4.120 -0.000 0.000 0.309 76 V C -1.329 174.640 176.094 -0.209 0.000 1.130 76 V CA -0.669 61.459 62.300 -0.288 0.000 0.964 76 V CB 1.513 33.252 31.823 -0.140 0.000 1.029 76 V HN 0.907 nan 8.190 nan 0.000 0.427 77 Y N 0.708 120.906 120.300 -0.169 0.000 2.831 77 Y HA 0.799 5.349 4.550 -0.000 0.000 0.368 77 Y C -0.712 175.181 175.900 -0.010 0.000 1.455 77 Y CA -0.788 57.235 58.100 -0.128 0.000 1.099 77 Y CB 1.015 39.295 38.460 -0.300 0.000 3.286 77 Y HN 1.175 nan 8.280 nan 0.000 0.324 78 A N 1.845 124.941 122.820 0.460 0.000 2.642 78 A HA 0.468 4.787 4.320 -0.000 0.000 0.261 78 A C -1.729 176.032 177.584 0.294 0.000 1.335 78 A CA -0.177 52.028 52.037 0.281 0.000 1.073 78 A CB -1.048 18.072 19.000 0.199 0.000 1.369 78 A HN 1.137 nan 8.150 nan 0.000 0.706 79 N N -0.353 118.532 118.700 0.309 0.000 2.531 79 N HA 0.406 5.146 4.740 -0.000 0.000 0.290 79 N C 0.268 175.936 175.510 0.263 0.000 1.257 79 N CA -0.921 52.273 53.050 0.240 0.000 0.863 79 N CB 0.771 39.378 38.487 0.200 0.000 1.320 79 N HN 0.059 nan 8.380 nan 0.000 0.538 80 N N -0.715 118.109 118.700 0.208 0.000 2.405 80 N HA -0.096 4.644 4.740 -0.000 0.000 0.175 80 N C 1.178 176.805 175.510 0.195 0.000 1.051 80 N CA 0.419 53.625 53.050 0.260 0.000 0.899 80 N CB 0.070 38.660 38.487 0.171 0.000 1.000 80 N HN 0.679 nan 8.380 nan 0.000 0.451 81 S N 0.326 116.058 115.700 0.053 0.000 2.531 81 S HA -0.153 4.317 4.470 -0.000 0.000 0.235 81 S C 1.492 175.853 174.600 -0.399 0.000 1.061 81 S CA 2.910 61.060 58.200 -0.083 0.000 1.250 81 S CB -0.624 62.554 63.200 -0.037 0.000 1.183 81 S HN 0.484 nan 8.310 nan 0.000 0.413 82 G N -0.651 107.834 108.800 -0.526 0.000 2.367 82 G HA2 0.092 4.052 3.960 -0.000 0.000 0.181 82 G HA3 0.092 4.052 3.960 -0.000 0.000 0.181 82 G C 0.445 175.158 174.900 -0.312 0.000 1.000 82 G CA 0.230 44.819 45.100 -0.852 0.000 0.693 82 G HN 1.188 nan 8.290 nan 0.000 0.480 83 G N -0.245 108.463 108.800 -0.154 0.000 2.522 83 G HA2 0.567 4.527 3.960 -0.000 0.000 0.304 83 G HA3 0.567 4.527 3.960 -0.000 0.000 0.304 83 G C 0.882 175.813 174.900 0.051 0.000 1.210 83 G CA -0.799 44.271 45.100 -0.049 0.000 0.960 83 G HN 0.601 nan 8.290 nan 0.000 0.497 84 L N 1.262 122.533 121.223 0.081 0.000 3.062 84 L HA 0.121 4.461 4.340 -0.000 0.000 0.264 84 L C 0.896 177.895 176.870 0.215 0.000 1.242 84 L CA 0.089 55.047 54.840 0.196 0.000 1.072 84 L CB -1.521 40.626 42.059 0.147 0.000 1.420 84 L HN 0.387 nan 8.230 nan 0.000 0.412 85 S N 0.062 115.855 115.700 0.155 0.000 2.449 85 S HA 0.618 5.088 4.470 -0.000 0.000 0.310 85 S C -0.867 173.726 174.600 -0.012 0.000 1.096 85 S CA -0.678 57.545 58.200 0.039 0.000 1.095 85 S CB 1.999 65.201 63.200 0.003 0.000 1.007 85 S HN 0.197 nan 8.310 nan 0.000 0.474 86 F N 2.555 122.281 119.950 -0.373 0.000 2.540 86 F HA 0.773 5.300 4.527 -0.000 0.000 0.317 86 F C -0.687 174.933 175.800 -0.300 0.000 1.104 86 F CA -0.890 56.773 58.000 -0.563 0.000 0.913 86 F CB 2.035 40.285 39.000 -1.250 0.000 1.170 86 F HN 0.707 nan 8.300 nan 0.000 0.450 87 S N 6.244 121.608 115.700 -0.560 0.000 2.561 87 S HA 0.382 4.852 4.470 -0.000 0.000 0.303 87 S C 1.016 175.190 174.600 -0.710 0.000 1.110 87 S CA -0.617 57.177 58.200 -0.677 0.000 1.034 87 S CB 0.710 63.769 63.200 -0.236 0.000 1.010 87 S HN 0.903 nan 8.310 nan 0.000 0.482 88 I N 2.071 122.089 120.570 -0.921 0.000 2.800 88 I HA 0.040 4.210 4.170 -0.000 0.000 0.266 88 I C 0.754 176.657 176.117 -0.358 0.000 1.249 88 I CA 1.428 62.387 61.300 -0.568 0.000 1.458 88 I CB -0.332 37.285 38.000 -0.639 0.000 1.093 88 I HN 0.511 nan 8.210 nan 0.000 0.466 89 F N 2.235 122.121 119.950 -0.106 0.000 2.317 89 F HA 0.149 4.676 4.527 -0.000 0.000 0.293 89 F C 0.391 176.186 175.800 -0.009 0.000 1.085 89 F CA -0.215 57.756 58.000 -0.047 0.000 1.390 89 F CB -0.618 38.346 39.000 -0.060 0.000 1.077 89 F HN 0.320 nan 8.300 nan 0.000 0.517 90 N N -0.708 118.097 118.700 0.175 0.000 2.576 90 N HA 0.132 4.872 4.740 -0.000 0.000 0.269 90 N C -1.076 174.522 175.510 0.147 0.000 1.058 90 N CA -0.355 52.779 53.050 0.139 0.000 0.860 90 N CB 0.083 38.638 38.487 0.115 0.000 1.249 90 N HN -0.228 nan 8.380 nan 0.000 0.525 91 N N 2.884 121.689 118.700 0.175 0.000 3.103 91 N HA 0.086 4.826 4.740 -0.000 0.000 0.305 91 N C -0.700 174.911 175.510 0.169 0.000 1.232 91 N CA -0.053 53.132 53.050 0.224 0.000 1.190 91 N CB -0.231 38.390 38.487 0.223 0.000 1.461 91 N HN 0.646 nan 8.380 nan 0.000 0.538 92 R N -1.817 118.779 120.500 0.160 0.000 2.728 92 R HA 0.525 4.865 4.340 -0.000 0.000 0.274 92 R C -0.089 176.298 176.300 0.144 0.000 1.030 92 R CA -0.843 55.333 56.100 0.127 0.000 0.876 92 R CB 0.214 30.568 30.300 0.090 0.000 1.259 92 R HN 0.027 nan 8.270 nan 0.000 0.468 93 G N 0.185 109.065 108.800 0.133 0.000 2.553 93 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.190 93 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.190 93 G C 0.769 175.706 174.900 0.062 0.000 1.217 93 G CA 0.177 45.325 45.100 0.080 0.000 0.654 93 G HN 0.508 nan 8.290 nan 0.000 0.727 94 K N -0.551 119.889 120.400 0.066 0.000 2.089 94 K HA -0.090 4.230 4.320 -0.000 0.000 0.210 94 K C -0.190 176.401 176.600 -0.015 0.000 1.048 94 K CA 0.919 57.196 56.287 -0.016 0.000 0.926 94 K CB -0.267 32.175 32.500 -0.096 0.000 0.714 94 K HN 0.291 nan 8.250 nan 0.000 0.448 95 Y N -0.314 120.068 120.300 0.137 0.000 2.361 95 Y HA 0.327 4.877 4.550 -0.000 0.000 0.332 95 Y C -0.459 175.525 175.900 0.140 0.000 1.101 95 Y CA -0.828 57.361 58.100 0.147 0.000 1.137 95 Y CB 2.037 40.560 38.460 0.104 0.000 1.207 95 Y HN -0.320 nan 8.280 nan 0.000 0.463 96 V N 4.504 124.603 119.914 0.308 0.000 2.482 96 V HA 0.366 4.486 4.120 -0.000 0.000 0.295 96 V C -0.904 175.162 176.094 -0.046 0.000 1.026 96 V CA -0.927 61.449 62.300 0.127 0.000 0.856 96 V CB 1.691 33.641 31.823 0.211 0.000 1.001 96 V HN 0.493 nan 8.190 nan 0.000 0.424 97 V N 6.745 126.503 119.914 -0.261 0.000 2.394 97 V HA 0.491 4.610 4.120 -0.000 0.000 0.282 97 V C -0.193 175.555 176.094 -0.577 0.000 1.031 97 V CA -0.478 61.571 62.300 -0.418 0.000 0.881 97 V CB 1.537 33.006 31.823 -0.590 0.000 0.982 97 V HN 0.637 nan 8.190 nan 0.000 0.451 98 L N 4.526 125.511 121.223 -0.396 0.000 2.294 98 L HA 0.535 4.875 4.340 -0.000 0.000 0.283 98 L C 0.149 176.889 176.870 -0.216 0.000 1.015 98 L CA -0.312 54.316 54.840 -0.353 0.000 0.831 98 L CB 1.445 43.310 42.059 -0.323 0.000 1.217 98 L HN 0.592 nan 8.230 nan 0.000 0.420 99 E N 3.531 123.616 120.200 -0.191 0.000 2.289 99 E HA 0.459 4.808 4.350 -0.000 0.000 0.278 99 E C -0.926 175.654 176.600 -0.032 0.000 1.032 99 E CA -0.358 56.002 56.400 -0.067 0.000 0.854 99 E CB 1.156 30.851 29.700 -0.009 0.000 1.046 99 E HN 0.415 nan 8.360 nan 0.000 0.409 100 L N 1.699 122.924 121.223 0.003 0.000 2.344 100 L HA 0.387 4.727 4.340 -0.000 0.000 0.272 100 L C 0.370 177.244 176.870 0.005 0.000 1.035 100 L CA -0.865 53.986 54.840 0.019 0.000 0.807 100 L CB 1.625 43.719 42.059 0.059 0.000 1.237 100 L HN 0.375 nan 8.230 nan 0.000 0.442 101 S N -0.461 115.237 115.700 -0.003 0.000 2.548 101 S HA 0.157 4.627 4.470 -0.000 0.000 0.277 101 S C 0.980 175.538 174.600 -0.071 0.000 1.315 101 S CA -0.270 57.911 58.200 -0.033 0.000 1.050 101 S CB 0.815 64.002 63.200 -0.020 0.000 0.918 101 S HN 0.772 nan 8.310 nan 0.000 0.497 102 T N 1.432 115.896 114.554 -0.150 0.000 3.107 102 T HA 0.243 4.593 4.350 -0.000 0.000 0.249 102 T C 0.679 175.280 174.700 -0.164 0.000 1.096 102 T CA 0.089 62.038 62.100 -0.252 0.000 1.012 102 T CB -0.159 68.377 68.868 -0.553 0.000 0.977 102 T HN 0.607 nan 8.240 nan 0.000 0.527 103 E N 1.380 121.521 120.200 -0.097 0.000 2.489 103 E HA 0.159 4.509 4.350 -0.000 0.000 0.193 103 E C -0.134 176.444 176.600 -0.036 0.000 1.057 103 E CA -0.135 56.228 56.400 -0.061 0.000 0.866 103 E CB -0.094 29.578 29.700 -0.047 0.000 0.916 103 E HN 0.491 nan 8.360 nan 0.000 0.500 104 D N 0.195 120.579 120.400 -0.025 0.000 2.423 104 D HA -0.061 4.579 4.640 -0.000 0.000 0.238 104 D C 1.091 177.392 176.300 0.003 0.000 1.142 104 D CA -0.065 53.940 54.000 0.008 0.000 0.884 104 D CB 0.917 41.741 40.800 0.039 0.000 1.199 104 D HN -0.018 nan 8.370 nan 0.000 0.438 105 L N 2.548 123.774 121.223 0.004 0.000 2.056 105 L HA -0.128 4.211 4.340 -0.000 0.000 0.207 105 L C 0.978 177.747 176.870 -0.167 0.000 1.078 105 L CA 1.865 56.653 54.840 -0.087 0.000 0.749 105 L CB -0.318 41.671 42.059 -0.117 0.000 0.901 105 L HN 0.441 nan 8.230 nan 0.000 0.433 106 H N -1.427 117.664 119.070 0.035 0.000 2.539 106 H HA 0.252 4.808 4.556 -0.000 0.000 0.293 106 H C 1.540 176.910 175.328 0.069 0.000 1.156 106 H CA 0.481 56.557 56.048 0.046 0.000 1.012 106 H CB 0.045 29.820 29.762 0.022 0.000 1.600 106 H HN 0.372 nan 8.280 nan 0.000 0.538 107 S N -1.317 114.456 115.700 0.121 0.000 2.501 107 S HA -0.003 4.467 4.470 -0.000 0.000 0.220 107 S C 0.795 175.466 174.600 0.118 0.000 0.997 107 S CA -0.344 57.927 58.200 0.118 0.000 0.919 107 S CB 0.118 63.340 63.200 0.036 0.000 0.778 107 S HN 0.238 nan 8.310 nan 0.000 0.523 108 N N 2.893 121.646 118.700 0.087 0.000 2.470 108 N HA 0.211 4.951 4.740 -0.000 0.000 0.268 108 N C 1.254 176.829 175.510 0.108 0.000 1.136 108 N CA 0.545 53.639 53.050 0.073 0.000 0.961 108 N CB 1.446 39.936 38.487 0.005 0.000 1.067 108 N HN 0.463 nan 8.380 nan 0.000 0.468 109 T N -0.414 114.202 114.554 0.104 0.000 2.942 109 T HA 0.108 4.457 4.350 -0.000 0.000 0.265 109 T C 0.897 175.638 174.700 0.068 0.000 1.062 109 T CA 0.646 62.805 62.100 0.097 0.000 1.139 109 T CB -0.084 68.835 68.868 0.085 0.000 0.883 109 T HN 0.368 nan 8.240 nan 0.000 0.468 110 I N 1.695 122.293 120.570 0.048 0.000 2.353 110 I HA 0.508 4.678 4.170 -0.000 0.000 0.293 110 I C -0.640 175.495 176.117 0.030 0.000 0.992 110 I CA -1.069 60.251 61.300 0.033 0.000 1.268 110 I CB 1.947 39.955 38.000 0.014 0.000 1.387 110 I HN -0.030 nan 8.210 nan 0.000 0.478 111 V N 7.855 127.835 119.914 0.110 0.000 2.409 111 V HA 0.419 4.538 4.120 -0.000 0.000 0.291 111 V C -0.503 175.831 176.094 0.400 0.000 1.020 111 V CA -0.738 61.726 62.300 0.273 0.000 0.848 111 V CB 1.256 33.221 31.823 0.238 0.000 0.990 111 V HN 0.447 nan 8.190 nan 0.000 0.430 112 F N 5.350 125.332 119.950 0.053 0.000 2.487 112 F HA 0.672 5.199 4.527 -0.000 0.000 0.364 112 F C 0.767 176.583 175.800 0.027 0.000 1.126 112 F CA -1.608 56.423 58.000 0.053 0.000 1.135 112 F CB -0.985 38.057 39.000 0.071 0.000 1.127 112 F HN 0.467 nan 8.300 nan 0.000 0.559 113 G N 3.067 111.973 108.800 0.177 0.000 2.528 113 G HA2 0.554 4.514 3.960 -0.000 0.000 0.289 113 G HA3 0.554 4.514 3.960 -0.000 0.000 0.289 113 G C -2.915 171.994 174.900 0.016 0.000 1.192 113 G CA -1.753 43.381 45.100 0.057 0.000 0.921 113 G HN 0.367 nan 8.290 nan 0.000 0.512 114 P HA 0.307 nan 4.420 nan 0.000 0.208 114 P C -0.508 176.731 177.300 -0.101 0.000 1.863 114 P CA -0.189 62.867 63.100 -0.073 0.000 1.037 114 P CB 0.226 31.887 31.700 -0.064 0.000 1.881 115 N N 0.030 118.638 118.700 -0.154 0.000 3.283 115 N HA 0.148 4.888 4.740 -0.000 0.000 0.337 115 N C -1.116 174.170 175.510 -0.373 0.000 1.335 115 N CA -0.411 52.522 53.050 -0.195 0.000 0.838 115 N CB -0.076 38.375 38.487 -0.060 0.000 1.878 115 N HN -0.096 nan 8.380 nan 0.000 0.394 116 F N 1.425 121.387 119.950 0.020 0.000 2.848 116 F HA 0.544 5.071 4.527 -0.000 0.000 0.321 116 F C -0.168 175.606 175.800 -0.043 0.000 1.281 116 F CA -0.170 57.827 58.000 -0.004 0.000 1.209 116 F CB 0.421 39.370 39.000 -0.084 0.000 1.152 116 F HN 0.043 nan 8.300 nan 0.000 0.521 117 L N 1.672 122.962 121.223 0.113 0.000 2.568 117 L HA 0.351 4.691 4.340 -0.000 0.000 0.262 117 L C -0.637 176.286 176.870 0.087 0.000 0.980 117 L CA -0.567 54.317 54.840 0.073 0.000 0.882 117 L CB 0.706 42.781 42.059 0.028 0.000 1.198 117 L HN 0.161 nan 8.230 nan 0.000 0.425 118 N N 1.078 119.844 118.700 0.109 0.000 2.322 118 N HA 0.451 5.191 4.740 -0.000 0.000 0.270 118 N C -0.099 175.453 175.510 0.070 0.000 1.286 118 N CA -0.310 52.810 53.050 0.117 0.000 0.948 118 N CB 1.080 39.638 38.487 0.119 0.000 1.164 118 N HN 0.404 nan 8.380 nan 0.000 0.551 119 T N -1.010 113.586 114.554 0.070 0.000 2.886 119 T HA 0.242 4.592 4.350 -0.000 0.000 0.330 119 T C -1.667 173.055 174.700 0.035 0.000 1.488 119 T CA -0.778 61.347 62.100 0.041 0.000 1.054 119 T CB 1.110 70.000 68.868 0.036 0.000 1.348 119 T HN 0.359 nan 8.240 nan 0.000 0.489 120 R N 4.607 125.109 120.500 0.004 0.000 2.278 120 R HA 0.298 4.637 4.340 -0.000 0.000 0.322 120 R C -0.022 176.261 176.300 -0.029 0.000 1.058 120 R CA -0.577 55.511 56.100 -0.020 0.000 0.991 120 R CB 0.582 30.832 30.300 -0.084 0.000 1.140 120 R HN 0.823 nan 8.270 nan 0.000 0.518 121 M N 4.018 123.623 119.600 0.008 0.000 2.252 121 M HA 0.035 4.515 4.480 -0.000 0.000 0.348 121 M C 0.199 176.500 176.300 0.002 0.000 1.334 121 M CA 0.483 55.791 55.300 0.012 0.000 1.071 121 M CB 0.424 33.047 32.600 0.039 0.000 1.763 121 M HN 0.328 nan 8.290 nan 0.000 0.452 122 K N 3.948 124.343 120.400 -0.009 0.000 2.524 122 K HA 0.007 4.327 4.320 -0.000 0.000 0.279 122 K C -1.098 175.527 176.600 0.042 0.000 0.993 122 K CA -0.258 56.026 56.287 -0.004 0.000 1.030 122 K CB 0.436 32.932 32.500 -0.007 0.000 0.891 122 K HN 0.561 nan 8.250 nan 0.000 0.488 123 L N 4.195 125.457 121.223 0.065 0.000 2.319 123 L HA 0.139 4.479 4.340 -0.000 0.000 0.280 123 L C -0.233 176.752 176.870 0.192 0.000 1.099 123 L CA 0.555 55.484 54.840 0.149 0.000 0.828 123 L CB 0.981 43.110 42.059 0.117 0.000 1.150 123 L HN 0.614 nan 8.230 nan 0.000 0.442 124 D N 3.238 123.794 120.400 0.261 0.000 2.469 124 D HA 0.299 4.939 4.640 -0.000 0.000 0.251 124 D C -1.506 174.974 176.300 0.300 0.000 1.173 124 D CA -0.142 53.987 54.000 0.215 0.000 0.882 124 D CB 0.396 41.227 40.800 0.053 0.000 1.129 124 D HN 0.176 nan 8.370 nan 0.000 0.549 125 Y N 1.797 122.176 120.300 0.132 0.000 2.462 125 Y HA 0.539 5.089 4.550 -0.000 0.000 0.346 125 Y C -0.276 175.699 175.900 0.125 0.000 0.976 125 Y CA -1.027 57.159 58.100 0.143 0.000 1.044 125 Y CB 2.025 40.536 38.460 0.085 0.000 1.230 125 Y HN 0.293 nan 8.280 nan 0.000 0.455 126 I N 3.003 123.655 120.570 0.137 0.000 2.545 126 I HA 0.748 4.918 4.170 -0.000 0.000 0.292 126 I C -1.733 174.368 176.117 -0.028 0.000 1.040 126 I CA -0.729 60.564 61.300 -0.011 0.000 1.068 126 I CB 1.134 38.977 38.000 -0.263 0.000 1.251 126 I HN 0.362 nan 8.210 nan 0.000 0.424 127 V N 5.928 125.838 119.914 -0.006 0.000 2.638 127 V HA 0.584 4.703 4.120 -0.000 0.000 0.306 127 V C -0.538 175.451 176.094 -0.176 0.000 1.052 127 V CA -0.370 61.918 62.300 -0.021 0.000 0.885 127 V CB 2.048 33.919 31.823 0.079 0.000 0.999 127 V HN 0.810 nan 8.190 nan 0.000 0.424 128 S N 3.199 118.760 115.700 -0.232 0.000 2.536 128 S HA 0.509 4.979 4.470 -0.000 0.000 0.287 128 S C -0.817 173.531 174.600 -0.420 0.000 1.101 128 S CA -0.645 57.304 58.200 -0.418 0.000 0.950 128 S CB 1.960 64.996 63.200 -0.273 0.000 1.056 128 S HN 0.784 nan 8.310 nan 0.000 0.481 129 Q N 2.676 122.052 119.800 -0.707 0.000 2.398 129 Q HA 0.379 4.719 4.340 -0.000 0.000 0.251 129 Q C 0.032 175.787 176.000 -0.410 0.000 0.999 129 Q CA -0.406 55.074 55.803 -0.538 0.000 0.874 129 Q CB 0.302 28.794 28.738 -0.409 0.000 1.215 129 Q HN 0.749 nan 8.270 nan 0.000 0.470 130 L N 3.348 124.341 121.223 -0.383 0.000 2.109 130 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 130 L C 0.871 177.609 176.870 -0.221 0.000 1.086 130 L CA 0.446 55.134 54.840 -0.254 0.000 0.760 130 L CB -0.169 41.771 42.059 -0.199 0.000 0.910 130 L HN 0.495 nan 8.230 nan 0.000 0.437 131 V N -5.164 114.588 119.914 -0.270 0.000 3.046 131 V HA 0.597 4.717 4.120 -0.000 0.000 0.316 131 V C -2.745 173.224 176.094 -0.209 0.000 1.104 131 V CA -2.696 59.478 62.300 -0.210 0.000 1.006 131 V CB 1.392 33.102 31.823 -0.188 0.000 1.058 131 V HN -0.201 nan 8.190 nan 0.000 0.440 132 P HA 0.386 nan 4.420 nan 0.000 0.268 132 P C -0.473 176.667 177.300 -0.267 0.000 1.205 132 P CA 0.108 63.091 63.100 -0.194 0.000 0.771 132 P CB 0.279 31.851 31.700 -0.214 0.000 0.858 133 I N -1.116 119.327 120.570 -0.211 0.000 2.603 133 I HA 0.514 4.683 4.170 -0.000 0.000 0.300 133 I C -0.590 175.413 176.117 -0.191 0.000 1.017 133 I CA -1.218 59.966 61.300 -0.193 0.000 1.098 133 I CB 1.322 39.291 38.000 -0.052 0.000 1.279 133 I HN 0.020 nan 8.210 nan 0.000 0.437 134 F N 3.801 123.740 119.950 -0.019 0.000 2.456 134 F HA 0.198 4.725 4.527 -0.000 0.000 0.358 134 F C 0.906 176.684 175.800 -0.036 0.000 1.095 134 F CA -0.037 57.952 58.000 -0.018 0.000 1.216 134 F CB 0.389 39.385 39.000 -0.008 0.000 1.125 134 F HN 0.616 nan 8.300 nan 0.000 0.549 135 D N 1.883 122.367 120.400 0.139 0.000 2.478 135 D HA 0.092 4.732 4.640 -0.000 0.000 0.269 135 D C 1.242 177.585 176.300 0.071 0.000 1.232 135 D CA -0.332 53.699 54.000 0.052 0.000 1.059 135 D CB 0.262 41.063 40.800 0.003 0.000 1.104 135 D HN 0.312 nan 8.370 nan 0.000 0.566 136 V N -1.457 118.478 119.914 0.035 0.000 2.427 136 V HA -0.153 3.966 4.120 -0.000 0.000 0.248 136 V C 1.392 177.504 176.094 0.029 0.000 1.051 136 V CA 2.107 64.427 62.300 0.033 0.000 1.048 136 V CB -1.158 30.681 31.823 0.027 0.000 0.666 136 V HN 0.584 nan 8.190 nan 0.000 0.456 137 D N 1.498 121.917 120.400 0.032 0.000 2.216 137 D HA 0.199 4.839 4.640 -0.000 0.000 0.208 137 D C 1.533 177.861 176.300 0.046 0.000 0.960 137 D CA 0.756 54.773 54.000 0.029 0.000 0.861 137 D CB -0.920 39.895 40.800 0.026 0.000 0.985 137 D HN 1.021 nan 8.370 nan 0.000 0.493 138 G N 1.267 110.115 108.800 0.081 0.000 2.434 138 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.224 138 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.224 138 G C -0.365 174.655 174.900 0.200 0.000 0.807 138 G CA -0.052 45.149 45.100 0.169 0.000 1.113 138 G HN 0.462 nan 8.290 nan 0.000 0.327 139 N N -0.466 118.337 118.700 0.172 0.000 2.394 139 N HA -0.129 4.611 4.740 -0.000 0.000 0.288 139 N C 0.455 176.027 175.510 0.104 0.000 1.501 139 N CA 1.360 54.480 53.050 0.116 0.000 0.707 139 N CB 0.053 38.583 38.487 0.071 0.000 0.936 139 N HN 0.823 nan 8.380 nan 0.000 0.475 140 E N 0.675 120.887 120.200 0.021 0.000 2.404 140 E HA 0.258 4.608 4.350 -0.000 0.000 0.261 140 E C 0.170 176.746 176.600 -0.039 0.000 1.074 140 E CA -0.114 56.231 56.400 -0.092 0.000 0.917 140 E CB 1.131 30.756 29.700 -0.127 0.000 0.965 140 E HN 0.263 nan 8.360 nan 0.000 0.433 141 V N 3.029 122.912 119.914 -0.051 0.000 2.444 141 V HA 0.122 4.242 4.120 -0.000 0.000 0.294 141 V C -0.004 176.110 176.094 0.034 0.000 1.022 141 V CA -0.868 61.449 62.300 0.028 0.000 0.850 141 V CB 1.683 33.555 31.823 0.082 0.000 0.992 141 V HN 0.452 nan 8.190 nan 0.000 0.426 142 E N 4.775 125.005 120.200 0.050 0.000 2.313 142 E HA 0.363 4.712 4.350 -0.000 0.000 0.276 142 E C -2.393 174.260 176.600 0.088 0.000 1.031 142 E CA -2.241 54.178 56.400 0.031 0.000 0.857 142 E CB 0.698 30.409 29.700 0.018 0.000 1.040 142 E HN 0.397 nan 8.360 nan 0.000 0.408 143 P HA -0.083 nan 4.420 nan 0.000 0.266 143 P C -0.641 176.740 177.300 0.134 0.000 1.180 143 P CA 0.665 63.779 63.100 0.022 0.000 0.765 143 P CB 0.161 31.825 31.700 -0.061 0.000 0.806 144 F N -1.453 118.471 119.950 -0.044 0.000 2.662 144 F HA 0.754 5.281 4.527 -0.000 0.000 0.312 144 F C -1.171 174.607 175.800 -0.037 0.000 1.113 144 F CA -0.744 57.232 58.000 -0.041 0.000 0.951 144 F CB 1.116 40.088 39.000 -0.048 0.000 1.344 144 F HN 0.065 nan 8.300 nan 0.000 0.462 145 T N 1.419 115.962 114.554 -0.019 0.000 2.893 145 T HA 0.697 5.047 4.350 -0.000 0.000 0.291 145 T C -1.321 173.474 174.700 0.158 0.000 1.028 145 T CA -0.738 61.299 62.100 -0.106 0.000 0.995 145 T CB 1.570 70.384 68.868 -0.090 0.000 1.051 145 T HN 0.898 nan 8.240 nan 0.000 0.470 146 S N 1.371 117.152 115.700 0.136 0.000 2.547 146 S HA 0.534 5.004 4.470 -0.000 0.000 0.270 146 S C -0.984 173.683 174.600 0.112 0.000 1.150 146 S CA -0.896 57.411 58.200 0.179 0.000 0.850 146 S CB 1.208 64.594 63.200 0.310 0.000 1.118 146 S HN 0.591 nan 8.310 nan 0.000 0.461 147 K N 1.259 121.717 120.400 0.096 0.000 2.233 147 K HA 0.276 4.596 4.320 -0.000 0.000 0.239 147 K C 0.156 176.824 176.600 0.113 0.000 1.064 147 K CA -0.649 55.704 56.287 0.110 0.000 0.884 147 K CB 0.126 32.689 32.500 0.105 0.000 1.166 147 K HN 0.694 nan 8.250 nan 0.000 0.512 148 Q N 0.784 120.653 119.800 0.116 0.000 2.261 148 Q HA 0.031 4.371 4.340 -0.000 0.000 0.252 148 Q C 0.270 176.298 176.000 0.047 0.000 0.915 148 Q CA 0.106 55.956 55.803 0.079 0.000 0.915 148 Q CB 1.525 30.300 28.738 0.061 0.000 1.204 148 Q HN 0.821 nan 8.270 nan 0.000 0.421 149 T N -0.776 113.794 114.554 0.027 0.000 3.067 149 T HA 0.111 4.461 4.350 -0.000 0.000 0.261 149 T C -0.102 174.599 174.700 0.002 0.000 1.110 149 T CA 0.566 62.672 62.100 0.010 0.000 1.113 149 T CB 0.266 69.130 68.868 -0.006 0.000 0.917 149 T HN 0.594 nan 8.240 nan 0.000 0.499 150 D N 0.294 120.690 120.400 -0.006 0.000 2.753 150 D HA 0.378 5.018 4.640 -0.000 0.000 0.224 150 D C -0.803 175.464 176.300 -0.056 0.000 1.213 150 D CA -0.478 53.505 54.000 -0.029 0.000 0.833 150 D CB 2.683 43.465 40.800 -0.031 0.000 1.607 150 D HN 0.307 nan 8.370 nan 0.000 0.463 151 E N 0.775 120.925 120.200 -0.084 0.000 2.254 151 E HA 0.596 4.946 4.350 -0.000 0.000 0.258 151 E C -0.408 176.030 176.600 -0.270 0.000 1.033 151 E CA -0.781 55.527 56.400 -0.153 0.000 0.893 151 E CB 2.258 31.897 29.700 -0.101 0.000 1.204 151 E HN 0.156 nan 8.360 nan 0.000 0.425 152 K N 1.203 121.337 120.400 -0.444 0.000 2.545 152 K HA 0.141 4.461 4.320 -0.000 0.000 0.287 152 K C -2.134 174.261 176.600 -0.341 0.000 1.074 152 K CA -0.313 55.721 56.287 -0.421 0.000 1.048 152 K CB 0.502 32.893 32.500 -0.183 0.000 1.384 152 K HN 0.598 nan 8.250 nan 0.000 0.440 153 H N 3.980 123.067 119.070 0.028 0.000 2.595 153 H HA 0.317 4.873 4.556 -0.000 0.000 0.313 153 H C -0.056 175.264 175.328 -0.013 0.000 1.023 153 H CA -0.862 55.201 56.048 0.025 0.000 1.218 153 H CB 1.178 30.991 29.762 0.085 0.000 1.403 153 H HN 0.193 nan 8.280 nan 0.000 0.477 154 L N 4.725 125.980 121.223 0.052 0.000 2.499 154 L HA -0.077 4.263 4.340 -0.000 0.000 0.273 154 L C 1.102 177.962 176.870 -0.016 0.000 1.195 154 L CA 0.499 55.336 54.840 -0.005 0.000 0.882 154 L CB 0.231 42.258 42.059 -0.054 0.000 1.133 154 L HN 0.960 nan 8.230 nan 0.000 0.483 155 I N 1.397 121.980 120.570 0.023 0.000 3.969 155 I HA -0.474 3.696 4.170 -0.000 0.000 0.133 155 I C 1.650 177.818 176.117 0.086 0.000 0.412 155 I CA 1.360 62.699 61.300 0.066 0.000 1.227 155 I CB -0.666 37.319 38.000 -0.025 0.000 1.082 155 I HN 0.606 nan 8.210 nan 0.000 0.204 156 I N 1.257 121.802 120.570 -0.042 0.000 2.500 156 I HA -0.170 4.000 4.170 -0.000 0.000 0.252 156 I C 1.554 177.642 176.117 -0.049 0.000 1.142 156 I CA 1.719 62.899 61.300 -0.200 0.000 1.451 156 I CB -0.206 37.618 38.000 -0.292 0.000 1.093 156 I HN 0.410 nan 8.210 nan 0.000 0.430 157 D N -1.126 119.337 120.400 0.105 0.000 2.352 157 D HA -0.077 4.562 4.640 -0.000 0.000 0.236 157 D C 0.712 177.107 176.300 0.157 0.000 1.148 157 D CA 0.302 54.394 54.000 0.153 0.000 0.844 157 D CB -0.228 40.673 40.800 0.168 0.000 0.933 157 D HN 0.123 nan 8.370 nan 0.000 0.507 158 D N -0.674 119.882 120.400 0.260 0.000 2.433 158 D HA 0.151 4.791 4.640 -0.000 0.000 0.211 158 D C -0.625 175.884 176.300 0.348 0.000 1.114 158 D CA -0.224 53.945 54.000 0.281 0.000 0.837 158 D CB 0.173 41.180 40.800 0.346 0.000 0.984 158 D HN 0.221 nan 8.370 nan 0.000 0.505 159 F N 1.161 121.156 119.950 0.075 0.000 2.385 159 F HA 0.242 4.769 4.527 -0.000 0.000 0.360 159 F C 0.289 176.055 175.800 -0.058 0.000 1.122 159 F CA -1.300 56.740 58.000 0.067 0.000 1.090 159 F CB 1.033 40.079 39.000 0.076 0.000 1.150 159 F HN -0.329 nan 8.300 nan 0.000 0.472 160 L N 3.287 124.501 121.223 -0.014 0.000 2.499 160 L HA 0.197 4.537 4.340 -0.000 0.000 0.281 160 L C 0.414 177.003 176.870 -0.468 0.000 1.234 160 L CA 0.102 54.771 54.840 -0.286 0.000 0.839 160 L CB -0.104 41.734 42.059 -0.368 0.000 1.104 160 L HN 0.628 nan 8.230 nan 0.000 0.500 161 A N 2.663 125.086 122.820 -0.662 0.000 2.330 161 A HA 0.852 5.172 4.320 -0.000 0.000 0.327 161 A C -1.062 176.042 177.584 -0.800 0.000 1.155 161 A CA -0.312 51.413 52.037 -0.520 0.000 0.803 161 A CB 0.596 19.471 19.000 -0.209 0.000 1.208 161 A HN 0.391 nan 8.150 nan 0.000 0.477 162 F N -0.236 119.490 119.950 -0.373 0.000 2.643 162 F HA 0.684 5.210 4.527 -0.000 0.000 0.314 162 F C 0.395 175.954 175.800 -0.402 0.000 1.096 162 F CA -0.400 57.314 58.000 -0.477 0.000 0.953 162 F CB 2.419 40.902 39.000 -0.862 0.000 1.345 162 F HN 0.564 nan 8.300 nan 0.000 0.468 163 T N 0.116 114.727 114.554 0.095 0.000 2.924 163 T HA 0.710 5.059 4.350 -0.000 0.000 0.291 163 T C -1.743 173.179 174.700 0.369 0.000 1.045 163 T CA -0.685 61.535 62.100 0.199 0.000 1.015 163 T CB 2.275 71.234 68.868 0.152 0.000 1.103 163 T HN 0.452 nan 8.240 nan 0.000 0.496 164 F N 2.241 122.337 119.950 0.243 0.000 2.573 164 F HA 0.481 5.008 4.527 -0.000 0.000 0.316 164 F C -0.884 175.006 175.800 0.150 0.000 1.148 164 F CA -0.930 57.202 58.000 0.221 0.000 0.940 164 F CB 1.529 40.709 39.000 0.299 0.000 1.214 164 F HN 0.528 nan 8.300 nan 0.000 0.448 165 K N 4.279 124.439 120.400 -0.401 0.000 2.183 165 K HA 0.308 4.628 4.320 -0.000 0.000 0.274 165 K C -1.182 175.003 176.600 -0.691 0.000 1.009 165 K CA -0.622 55.450 56.287 -0.358 0.000 0.888 165 K CB 1.796 34.180 32.500 -0.193 0.000 1.078 165 K HN 0.563 nan 8.250 nan 0.000 0.459 166 D N 3.815 124.034 120.400 -0.303 0.000 2.343 166 D HA 0.147 4.787 4.640 -0.000 0.000 0.255 166 D C -2.061 174.170 176.300 -0.115 0.000 1.187 166 D CA -2.012 51.897 54.000 -0.152 0.000 0.875 166 D CB 1.400 42.265 40.800 0.108 0.000 1.136 166 D HN 0.292 nan 8.370 nan 0.000 0.469 167 P HA 0.214 nan 4.420 nan 0.000 0.227 167 P C -0.083 177.207 177.300 -0.017 0.000 1.801 167 P CA 0.179 63.233 63.100 -0.077 0.000 0.971 167 P CB 0.396 32.052 31.700 -0.074 0.000 1.653 168 E N -2.467 117.733 120.200 0.000 0.000 1.943 168 E HA -0.081 4.269 4.350 -0.000 0.000 0.266 168 E C 0.223 176.848 176.600 0.041 0.000 1.062 168 E CA 0.408 56.827 56.400 0.033 0.000 1.899 168 E CB -0.665 29.061 29.700 0.043 0.000 3.398 168 E HN -0.051 nan 8.360 nan 0.000 1.027 169 T N -0.768 113.808 114.554 0.037 0.000 3.488 169 T HA 0.356 4.706 4.350 -0.000 0.000 0.312 169 T C 1.186 175.903 174.700 0.029 0.000 0.931 169 T CA 1.338 63.465 62.100 0.044 0.000 0.982 169 T CB 0.323 69.234 68.868 0.072 0.000 1.198 169 T HN 0.862 nan 8.240 nan 0.000 0.545 170 G N 1.380 110.182 108.800 0.004 0.000 2.542 170 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.251 170 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.251 170 G C 0.576 175.478 174.900 0.004 0.000 1.016 170 G CA 0.696 45.791 45.100 -0.007 0.000 0.646 170 G HN 1.266 nan 8.290 nan 0.000 0.553 171 V N 1.856 121.792 119.914 0.036 0.000 2.425 171 V HA 0.428 4.548 4.120 -0.000 0.000 0.276 171 V C 0.637 176.785 176.094 0.090 0.000 1.017 171 V CA 0.189 62.526 62.300 0.062 0.000 1.062 171 V CB 0.878 32.749 31.823 0.080 0.000 0.997 171 V HN 0.423 nan 8.190 nan 0.000 0.476 172 E N 6.335 126.584 120.200 0.082 0.000 2.289 172 E HA 0.356 4.706 4.350 -0.000 0.000 0.278 172 E C -0.695 176.014 176.600 0.182 0.000 1.032 172 E CA -0.465 56.003 56.400 0.114 0.000 0.854 172 E CB 0.869 30.617 29.700 0.080 0.000 1.046 172 E HN 0.604 nan 8.360 nan 0.000 0.409 173 I N 6.550 127.293 120.570 0.288 0.000 2.382 173 I HA 0.282 4.452 4.170 -0.000 0.000 0.285 173 I C -2.381 173.961 176.117 0.375 0.000 1.007 173 I CA -2.866 58.633 61.300 0.332 0.000 1.142 173 I CB 1.048 39.281 38.000 0.389 0.000 1.289 173 I HN 0.274 nan 8.210 nan 0.000 0.453 174 P HA 0.308 nan 4.420 nan 0.000 0.280 174 P C -1.300 176.213 177.300 0.355 0.000 1.244 174 P CA 0.069 63.321 63.100 0.252 0.000 0.784 174 P CB 0.420 32.218 31.700 0.162 0.000 0.913 175 Y N 0.385 120.824 120.300 0.231 0.000 2.553 175 Y HA 0.779 5.329 4.550 -0.000 0.000 0.347 175 Y C -0.626 175.400 175.900 0.210 0.000 1.019 175 Y CA -1.462 56.776 58.100 0.229 0.000 1.032 175 Y CB 1.479 40.076 38.460 0.228 0.000 1.284 175 Y HN 0.059 nan 8.280 nan 0.000 0.466 176 R N 2.588 123.325 120.500 0.396 0.000 2.589 176 R HA 0.627 4.967 4.340 -0.000 0.000 0.293 176 R C -1.854 174.780 176.300 0.556 0.000 0.963 176 R CA -1.104 55.214 56.100 0.364 0.000 0.905 176 R CB 2.001 32.501 30.300 0.333 0.000 1.144 176 R HN 0.886 nan 8.270 nan 0.000 0.459 177 L N 3.413 124.883 121.223 0.412 0.000 2.406 177 L HA 0.483 4.822 4.340 -0.000 0.000 0.272 177 L C -1.495 175.347 176.870 -0.047 0.000 0.980 177 L CA -0.671 54.346 54.840 0.296 0.000 0.831 177 L CB 1.383 43.719 42.059 0.462 0.000 1.253 177 L HN 0.515 nan 8.230 nan 0.000 0.406 178 F N 5.741 125.367 119.950 -0.541 0.000 2.408 178 F HA 0.733 5.260 4.527 -0.000 0.000 0.344 178 F C -0.786 174.771 175.800 -0.405 0.000 1.112 178 F CA -0.415 57.102 58.000 -0.805 0.000 1.096 178 F CB 1.340 39.503 39.000 -1.394 0.000 1.129 178 F HN 0.267 nan 8.300 nan 0.000 0.486 179 V N 7.729 126.990 119.914 -1.089 0.000 2.417 179 V HA 0.381 4.501 4.120 -0.000 0.000 0.291 179 V C -2.053 173.273 176.094 -1.280 0.000 1.024 179 V CA -2.008 59.677 62.300 -1.025 0.000 0.861 179 V CB 1.383 32.891 31.823 -0.525 0.000 0.985 179 V HN 0.649 nan 8.190 nan 0.000 0.436 180 P HA 0.138 nan 4.420 nan 0.000 0.266 180 P C -0.752 176.228 177.300 -0.533 0.000 1.195 180 P CA -0.034 62.676 63.100 -0.649 0.000 0.768 180 P CB 0.483 31.761 31.700 -0.704 0.000 0.838 181 K N 1.128 121.315 120.400 -0.355 0.000 2.280 181 K HA 0.464 4.784 4.320 -0.000 0.000 0.234 181 K C -0.872 175.626 176.600 -0.171 0.000 1.028 181 K CA -0.891 55.255 56.287 -0.236 0.000 0.882 181 K CB 0.703 33.094 32.500 -0.183 0.000 1.194 181 K HN 0.178 nan 8.250 nan 0.000 0.458 182 D N 1.191 121.521 120.400 -0.117 0.000 2.563 182 D HA 0.188 4.828 4.640 -0.000 0.000 0.222 182 D C -0.551 175.704 176.300 -0.075 0.000 1.145 182 D CA -0.606 53.336 54.000 -0.097 0.000 1.001 182 D CB 1.046 41.809 40.800 -0.062 0.000 1.049 182 D HN 0.280 nan 8.370 nan 0.000 0.515 183 V N 1.401 121.254 119.914 -0.101 0.000 2.994 183 V HA 0.324 4.444 4.120 -0.000 0.000 0.318 183 V C -0.157 175.971 176.094 0.056 0.000 1.085 183 V CA -1.197 61.064 62.300 -0.065 0.000 0.998 183 V CB 1.938 33.630 31.823 -0.217 0.000 1.063 183 V HN 0.544 nan 8.190 nan 0.000 0.447 184 N N 5.078 123.861 118.700 0.138 0.000 2.394 184 N HA 0.057 4.797 4.740 -0.000 0.000 0.277 184 N C -1.410 174.232 175.510 0.219 0.000 1.346 184 N CA -0.856 52.288 53.050 0.156 0.000 0.910 184 N CB 1.095 39.660 38.487 0.131 0.000 1.201 184 N HN 0.490 nan 8.380 nan 0.000 0.488 185 P HA -0.034 nan 4.420 nan 0.000 0.226 185 P C -0.345 177.019 177.300 0.108 0.000 1.153 185 P CA 0.769 63.965 63.100 0.161 0.000 0.777 185 P CB 0.383 32.146 31.700 0.106 0.000 0.794 186 D N 0.464 120.902 120.400 0.063 0.000 2.870 186 D HA 0.162 4.802 4.640 -0.000 0.000 0.241 186 D C 0.491 176.771 176.300 -0.033 0.000 1.234 186 D CA 0.342 54.351 54.000 0.016 0.000 0.844 186 D CB -0.068 40.740 40.800 0.013 0.000 1.051 186 D HN 0.197 nan 8.370 nan 0.000 0.469 187 R N -0.169 120.276 120.500 -0.092 0.000 2.710 187 R HA 0.313 4.653 4.340 -0.000 0.000 0.270 187 R C -0.914 175.112 176.300 -0.456 0.000 1.021 187 R CA -0.726 55.212 56.100 -0.270 0.000 0.889 187 R CB 1.952 32.056 30.300 -0.328 0.000 1.243 187 R HN -0.179 nan 8.270 nan 0.000 0.464 188 K N 2.167 122.301 120.400 -0.443 0.000 2.185 188 K HA 0.335 4.655 4.320 -0.000 0.000 0.269 188 K C -1.306 175.017 176.600 -0.462 0.000 0.987 188 K CA -0.416 55.673 56.287 -0.331 0.000 0.865 188 K CB 1.222 33.629 32.500 -0.154 0.000 1.090 188 K HN 0.329 nan 8.250 nan 0.000 0.450 189 Y N 1.558 121.964 120.300 0.177 0.000 2.549 189 Y HA 0.334 4.884 4.550 -0.000 0.000 0.339 189 Y C -2.178 173.843 175.900 0.201 0.000 1.053 189 Y CA -2.843 55.383 58.100 0.210 0.000 1.105 189 Y CB 0.947 39.561 38.460 0.258 0.000 1.258 189 Y HN 0.485 nan 8.280 nan 0.000 0.478 190 P HA 0.170 nan 4.420 nan 0.000 0.272 190 P C -1.252 176.166 177.300 0.196 0.000 1.240 190 P CA -0.320 62.874 63.100 0.158 0.000 0.791 190 P CB 0.743 32.585 31.700 0.237 0.000 0.978 191 L N 1.840 123.045 121.223 -0.030 0.000 2.356 191 L HA 0.498 4.837 4.340 -0.000 0.000 0.277 191 L C -1.326 175.491 176.870 -0.088 0.000 0.996 191 L CA -0.566 54.270 54.840 -0.007 0.000 0.822 191 L CB 1.694 43.683 42.059 -0.116 0.000 1.256 191 L HN 0.014 nan 8.230 nan 0.000 0.413 192 V N 5.759 125.636 119.914 -0.061 0.000 2.398 192 V HA 0.519 4.639 4.120 -0.000 0.000 0.286 192 V C -0.314 175.692 176.094 -0.146 0.000 1.026 192 V CA -0.650 61.511 62.300 -0.232 0.000 0.868 192 V CB 1.663 33.106 31.823 -0.633 0.000 0.982 192 V HN 0.556 nan 8.190 nan 0.000 0.443 193 V N 5.775 125.608 119.914 -0.134 0.000 2.370 193 V HA 0.456 4.576 4.120 -0.000 0.000 0.283 193 V C -0.538 175.526 176.094 -0.050 0.000 1.023 193 V CA -0.509 61.743 62.300 -0.081 0.000 0.857 193 V CB 1.408 33.171 31.823 -0.100 0.000 0.985 193 V HN 0.705 nan 8.190 nan 0.000 0.443 194 F N 6.494 126.364 119.950 -0.133 0.000 2.458 194 F HA 0.735 5.262 4.527 -0.000 0.000 0.336 194 F C -0.739 174.959 175.800 -0.171 0.000 1.114 194 F CA -1.152 56.785 58.000 -0.105 0.000 0.987 194 F CB 1.343 40.344 39.000 0.002 0.000 1.130 194 F HN 0.319 nan 8.300 nan 0.000 0.458 195 L N 7.023 127.612 121.223 -1.056 0.000 2.318 195 L HA 0.335 4.675 4.340 -0.000 0.000 0.277 195 L C -0.439 175.767 176.870 -1.107 0.000 1.008 195 L CA -1.110 53.035 54.840 -1.159 0.000 0.846 195 L CB 0.926 42.284 42.059 -1.168 0.000 1.220 195 L HN 0.744 nan 8.230 nan 0.000 0.423 196 H N 0.943 119.488 119.070 -0.875 0.000 2.836 196 H HA 0.519 5.075 4.556 -0.000 0.000 0.368 196 H C 0.552 175.935 175.328 0.091 0.000 1.164 196 H CA 0.071 55.948 56.048 -0.284 0.000 1.425 196 H CB 0.694 30.425 29.762 -0.052 0.000 1.414 196 H HN 0.774 nan 8.280 nan 0.000 0.614 197 G N 0.379 109.214 108.800 0.059 0.000 2.721 197 G HA2 0.104 4.064 3.960 -0.000 0.000 0.462 197 G HA3 0.104 4.064 3.960 -0.000 0.000 0.462 197 G C 0.715 175.739 174.900 0.207 0.000 1.062 197 G CA -0.108 45.050 45.100 0.096 0.000 1.233 197 G HN 1.130 nan 8.290 nan 0.000 0.545 198 A N 1.081 123.918 122.820 0.027 0.000 1.917 198 A HA 0.134 4.454 4.320 -0.000 0.000 0.219 198 A C 2.992 180.611 177.584 0.058 0.000 1.182 198 A CA 2.785 54.769 52.037 -0.089 0.000 0.633 198 A CB -0.858 17.899 19.000 -0.405 0.000 0.819 198 A HN 2.279 nan 8.150 nan 0.000 0.448 199 G N -0.821 108.080 108.800 0.169 0.000 2.550 199 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.222 199 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.222 199 G C 1.167 176.106 174.900 0.065 0.000 1.113 199 G CA 1.535 46.742 45.100 0.179 0.000 0.748 199 G HN 0.581 nan 8.290 nan 0.000 0.585 200 E N -0.602 119.594 120.200 -0.006 0.000 2.498 200 E HA 0.226 4.575 4.350 -0.000 0.000 0.203 200 E C 1.024 177.408 176.600 -0.359 0.000 1.013 200 E CA -0.407 55.865 56.400 -0.213 0.000 0.927 200 E CB 0.310 29.785 29.700 -0.375 0.000 1.012 200 E HN 0.303 nan 8.360 nan 0.000 0.482 201 R N 0.240 120.662 120.500 -0.129 0.000 2.638 201 R HA 0.325 4.665 4.340 -0.000 0.000 0.268 201 R C 0.658 176.909 176.300 -0.082 0.000 1.006 201 R CA 1.157 57.215 56.100 -0.069 0.000 1.088 201 R CB 0.321 30.571 30.300 -0.084 0.000 0.950 201 R HN 0.264 nan 8.270 nan 0.000 0.419 202 G N -0.174 108.590 108.800 -0.058 0.000 2.513 202 G HA2 0.013 3.973 3.960 -0.000 0.000 0.182 202 G HA3 0.013 3.973 3.960 -0.000 0.000 0.182 202 G C -0.205 174.695 174.900 -0.001 0.000 1.190 202 G CA -0.002 45.081 45.100 -0.030 0.000 0.987 202 G HN 0.437 nan 8.290 nan 0.000 0.479 203 T N 0.212 114.774 114.554 0.013 0.000 3.123 203 T HA 0.139 4.489 4.350 -0.000 0.000 0.266 203 T C 1.366 176.090 174.700 0.041 0.000 0.873 203 T CA 1.136 63.255 62.100 0.031 0.000 0.854 203 T CB 0.049 68.930 68.868 0.022 0.000 1.254 203 T HN 0.636 nan 8.240 nan 0.000 0.570 204 D N 1.521 121.943 120.400 0.036 0.000 2.312 204 D HA 0.010 4.650 4.640 -0.000 0.000 0.211 204 D C 0.867 177.219 176.300 0.086 0.000 0.964 204 D CA 0.494 54.522 54.000 0.047 0.000 0.877 204 D CB -0.429 40.389 40.800 0.030 0.000 0.924 204 D HN 0.289 nan 8.370 nan 0.000 0.515 205 N N -1.616 117.135 118.700 0.085 0.000 2.776 205 N HA -0.272 4.468 4.740 -0.000 0.000 0.249 205 N C -0.503 175.070 175.510 0.104 0.000 1.111 205 N CA 0.747 53.852 53.050 0.091 0.000 0.711 205 N CB -1.806 36.727 38.487 0.076 0.000 1.065 205 N HN 0.577 nan 8.380 nan 0.000 0.556 206 Y N -1.442 118.828 120.300 -0.051 0.000 2.619 206 Y HA 0.318 4.868 4.550 -0.000 0.000 0.273 206 Y C 1.512 177.349 175.900 -0.105 0.000 1.175 206 Y CA -0.105 57.941 58.100 -0.091 0.000 1.157 206 Y CB -0.298 38.098 38.460 -0.107 0.000 1.329 206 Y HN 0.060 nan 8.280 nan 0.000 0.503 207 L N 1.283 122.562 121.223 0.094 0.000 2.012 207 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 207 L C 2.176 178.995 176.870 -0.086 0.000 1.073 207 L CA 2.327 57.172 54.840 0.008 0.000 0.748 207 L CB -0.934 41.099 42.059 -0.042 0.000 0.891 207 L HN 0.400 nan 8.230 nan 0.000 0.431 208 Q N -1.859 117.856 119.800 -0.141 0.000 2.234 208 Q HA -0.154 4.186 4.340 -0.000 0.000 0.206 208 Q C 2.007 178.051 176.000 0.072 0.000 0.980 208 Q CA 1.603 57.368 55.803 -0.064 0.000 0.869 208 Q CB -1.000 27.769 28.738 0.052 0.000 0.912 208 Q HN 0.342 nan 8.270 nan 0.000 0.436 209 V N -0.850 118.992 119.914 -0.120 0.000 3.590 209 V HA 0.331 4.450 4.120 -0.000 0.000 0.265 209 V C 1.335 177.224 176.094 -0.341 0.000 1.239 209 V CA 0.940 63.068 62.300 -0.287 0.000 1.117 209 V CB 0.396 31.928 31.823 -0.485 0.000 0.818 209 V HN 0.446 nan 8.190 nan 0.000 0.451 210 A N -0.948 121.729 122.820 -0.239 0.000 2.259 210 A HA 0.370 4.690 4.320 -0.000 0.000 0.213 210 A C 2.081 179.628 177.584 -0.061 0.000 1.209 210 A CA 0.809 52.749 52.037 -0.161 0.000 0.910 210 A CB -0.235 18.733 19.000 -0.054 0.000 0.946 210 A HN 0.478 nan 8.150 nan 0.000 0.497 211 G N 1.190 109.968 108.800 -0.037 0.000 2.450 211 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.220 211 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.220 211 G C 0.566 175.485 174.900 0.032 0.000 1.130 211 G CA 1.070 46.175 45.100 0.009 0.000 0.760 211 G HN 0.820 nan 8.290 nan 0.000 0.557 212 N N -2.903 115.783 118.700 -0.023 0.000 3.413 212 N HA 0.097 4.837 4.740 -0.000 0.000 0.273 212 N C -0.601 174.809 175.510 -0.166 0.000 1.458 212 N CA -0.889 52.163 53.050 0.004 0.000 0.860 212 N CB 0.370 38.951 38.487 0.156 0.000 1.556 212 N HN -0.107 nan 8.380 nan 0.000 0.475 213 R N -0.061 120.334 120.500 -0.175 0.000 2.541 213 R HA 0.105 4.445 4.340 -0.000 0.000 0.245 213 R C 1.544 177.377 176.300 -0.778 0.000 1.154 213 R CA 0.496 56.370 56.100 -0.377 0.000 1.179 213 R CB -0.483 29.647 30.300 -0.284 0.000 1.189 213 R HN 0.678 nan 8.270 nan 0.000 0.526 214 G N 0.684 108.894 108.800 -0.983 0.000 2.446 214 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 214 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 214 G C 1.256 175.179 174.900 -1.629 0.000 1.168 214 G CA 0.934 44.859 45.100 -1.960 0.000 0.771 214 G HN 0.423 nan 8.290 nan 0.000 0.551 215 A N -0.834 121.389 122.820 -0.995 0.000 2.140 215 A HA 0.496 4.816 4.320 -0.000 0.000 0.209 215 A C 2.321 179.865 177.584 -0.067 0.000 1.181 215 A CA 0.832 52.719 52.037 -0.250 0.000 0.824 215 A CB 0.198 19.177 19.000 -0.035 0.000 0.879 215 A HN 0.181 nan 8.150 nan 0.000 0.480 216 V N -0.644 119.060 119.914 -0.351 0.000 2.591 216 V HA -0.140 3.979 4.120 -0.000 0.000 0.249 216 V C 2.434 178.340 176.094 -0.314 0.000 1.053 216 V CA 1.559 63.699 62.300 -0.268 0.000 1.068 216 V CB -0.027 31.595 31.823 -0.335 0.000 0.689 216 V HN 0.375 nan 8.190 nan 0.000 0.462 217 V N 0.121 119.693 119.914 -0.571 0.000 2.324 217 V HA -0.305 3.815 4.120 -0.000 0.000 0.250 217 V C 2.084 177.918 176.094 -0.433 0.000 1.060 217 V CA 2.524 64.468 62.300 -0.593 0.000 1.042 217 V CB -0.477 30.820 31.823 -0.877 0.000 0.650 217 V HN 0.770 nan 8.190 nan 0.000 0.450 218 W N 0.011 121.256 121.300 -0.092 0.000 2.421 218 W HA 0.056 4.716 4.660 -0.000 0.000 0.270 218 W C 2.307 178.751 176.519 -0.126 0.000 1.233 218 W CA 0.829 58.160 57.345 -0.023 0.000 1.226 218 W CB -0.561 28.885 29.460 -0.023 0.000 1.121 218 W HN 0.329 nan 8.180 nan 0.000 0.579 219 A N -0.275 122.459 122.820 -0.144 0.000 2.220 219 A HA 0.073 4.393 4.320 -0.000 0.000 0.211 219 A C 0.989 178.415 177.584 -0.262 0.000 1.176 219 A CA -0.200 51.513 52.037 -0.540 0.000 0.834 219 A CB -0.331 18.235 19.000 -0.723 0.000 0.868 219 A HN 0.241 nan 8.150 nan 0.000 0.488 220 Q N 0.459 120.185 119.800 -0.123 0.000 2.337 220 Q HA 0.120 4.459 4.340 -0.000 0.000 0.270 220 Q C -1.732 174.203 176.000 -0.109 0.000 1.002 220 Q CA -1.772 53.958 55.803 -0.123 0.000 0.888 220 Q CB 0.321 28.958 28.738 -0.168 0.000 1.222 220 Q HN 0.103 nan 8.270 nan 0.000 0.400 221 P HA -0.318 nan 4.420 nan 0.000 0.220 221 P C 0.993 178.214 177.300 -0.132 0.000 1.155 221 P CA 1.855 64.904 63.100 -0.085 0.000 0.880 221 P CB -0.002 31.651 31.700 -0.078 0.000 0.790 222 R N -2.093 118.265 120.500 -0.237 0.000 2.200 222 R HA -0.177 4.162 4.340 -0.000 0.000 0.234 222 R C 1.371 177.463 176.300 -0.345 0.000 1.127 222 R CA 1.724 57.617 56.100 -0.346 0.000 0.989 222 R CB -1.165 28.817 30.300 -0.532 0.000 0.869 222 R HN 0.225 nan 8.270 nan 0.000 0.459 223 Y N -0.086 120.196 120.300 -0.031 0.000 2.498 223 Y HA 0.249 4.798 4.550 -0.000 0.000 0.259 223 Y C 2.183 178.064 175.900 -0.032 0.000 1.086 223 Y CA -0.216 57.894 58.100 0.017 0.000 1.287 223 Y CB 0.215 38.720 38.460 0.075 0.000 1.146 223 Y HN -0.010 nan 8.280 nan 0.000 0.523 224 Q N 0.167 120.007 119.800 0.067 0.000 2.187 224 Q HA -0.053 4.287 4.340 -0.000 0.000 0.199 224 Q C 2.340 178.309 176.000 -0.051 0.000 0.957 224 Q CA 1.440 57.250 55.803 0.012 0.000 0.857 224 Q CB -0.160 28.590 28.738 0.019 0.000 0.929 224 Q HN 0.510 nan 8.270 nan 0.000 0.453 225 V N -2.231 117.645 119.914 -0.064 0.000 2.759 225 V HA -0.070 4.050 4.120 -0.000 0.000 0.256 225 V C 1.951 177.971 176.094 -0.123 0.000 1.080 225 V CA 1.353 63.602 62.300 -0.085 0.000 1.101 225 V CB -0.469 31.307 31.823 -0.078 0.000 0.698 225 V HN 0.111 nan 8.190 nan 0.000 0.477 226 V N -0.821 118.984 119.914 -0.181 0.000 3.484 226 V HA 0.335 4.455 4.120 -0.000 0.000 0.252 226 V C 0.664 176.366 176.094 -0.652 0.000 1.282 226 V CA 0.307 62.386 62.300 -0.368 0.000 1.104 226 V CB 0.045 31.646 31.823 -0.369 0.000 0.868 226 V HN 0.761 nan 8.190 nan 0.000 0.457 227 H N 1.804 120.743 119.070 -0.218 0.000 2.439 227 H HA 0.355 4.911 4.556 -0.000 0.000 0.228 227 H C -2.791 172.371 175.328 -0.277 0.000 1.423 227 H CA -1.694 54.098 56.048 -0.426 0.000 1.386 227 H CB 0.580 29.572 29.762 -1.283 0.000 1.641 227 H HN 0.365 nan 8.280 nan 0.000 0.508 228 P HA 0.064 nan 4.420 nan 0.000 0.268 228 P C 0.314 177.581 177.300 -0.054 0.000 1.204 228 P CA 0.230 63.256 63.100 -0.124 0.000 0.768 228 P CB 0.929 32.448 31.700 -0.302 0.000 0.842 229 C N 2.333 121.643 119.300 0.016 0.000 3.307 229 C HA 0.607 5.067 4.460 -0.000 0.000 0.333 229 C C -0.739 174.339 174.990 0.146 0.000 1.291 229 C CA -1.173 57.941 59.018 0.160 0.000 1.273 229 C CB 0.127 28.094 27.740 0.378 0.000 1.580 229 C HN 0.383 nan 8.230 nan 0.000 0.481 230 F N 1.221 121.257 119.950 0.144 0.000 2.380 230 F HA 0.624 5.151 4.527 -0.000 0.000 0.325 230 F C 0.729 176.582 175.800 0.088 0.000 1.136 230 F CA 0.198 58.254 58.000 0.092 0.000 1.171 230 F CB 1.374 40.339 39.000 -0.059 0.000 1.230 230 F HN 0.736 nan 8.300 nan 0.000 0.554 231 V N 4.027 124.101 119.914 0.267 0.000 2.932 231 V HA 0.723 4.843 4.120 -0.000 0.000 0.307 231 V C -2.187 174.029 176.094 0.202 0.000 1.147 231 V CA -0.819 61.582 62.300 0.169 0.000 0.951 231 V CB 1.966 33.892 31.823 0.171 0.000 1.031 231 V HN 0.655 nan 8.190 nan 0.000 0.426 232 L N 6.007 127.347 121.223 0.195 0.000 2.376 232 L HA 0.982 5.322 4.340 -0.000 0.000 0.275 232 L C -0.184 176.831 176.870 0.242 0.000 0.987 232 L CA 0.118 55.078 54.840 0.199 0.000 0.828 232 L CB 1.575 43.650 42.059 0.027 0.000 1.249 232 L HN 1.093 nan 8.230 nan 0.000 0.409 233 A N 7.463 130.493 122.820 0.351 0.000 2.586 233 A HA 0.777 5.096 4.320 -0.000 0.000 0.320 233 A C -2.793 174.991 177.584 0.333 0.000 1.281 233 A CA -1.236 51.005 52.037 0.341 0.000 0.775 233 A CB 0.182 19.421 19.000 0.399 0.000 1.122 233 A HN 0.503 nan 8.150 nan 0.000 0.470 234 P HA 0.249 nan 4.420 nan 0.000 0.276 234 P C -0.804 176.828 177.300 0.553 0.000 1.261 234 P CA -0.282 63.047 63.100 0.382 0.000 0.800 234 P CB 0.992 32.847 31.700 0.258 0.000 1.066 235 Q N 0.062 120.186 119.800 0.541 0.000 2.325 235 Q HA 0.371 4.711 4.340 -0.000 0.000 0.270 235 Q C -1.126 175.057 176.000 0.306 0.000 1.020 235 Q CA -0.714 55.389 55.803 0.500 0.000 0.785 235 Q CB 1.357 30.224 28.738 0.215 0.000 1.259 235 Q HN 0.526 nan 8.270 nan 0.000 0.452 236 C N 6.803 126.110 119.300 0.012 0.000 2.632 236 C HA 0.489 4.949 4.460 -0.000 0.000 0.415 236 C C -2.022 172.872 174.990 -0.159 0.000 1.332 236 C CA -1.469 57.257 59.018 -0.485 0.000 1.874 236 C CB -0.046 26.937 27.740 -1.262 0.000 2.596 236 C HN 0.658 nan 8.230 nan 0.000 0.590 237 P HA 0.282 nan 4.420 nan 0.000 0.272 237 P C -2.679 174.561 177.300 -0.100 0.000 1.240 237 P CA -1.125 61.940 63.100 -0.058 0.000 0.791 237 P CB -0.268 31.419 31.700 -0.022 0.000 0.978 238 P HA 0.083 nan 4.420 nan 0.000 0.272 238 P C 0.293 177.543 177.300 -0.082 0.000 1.240 238 P CA 0.308 63.357 63.100 -0.086 0.000 0.791 238 P CB 0.031 31.700 31.700 -0.051 0.000 0.978 239 N N -2.669 115.973 118.700 -0.097 0.000 2.909 239 N HA -0.150 4.590 4.740 -0.000 0.000 0.242 239 N C 0.021 175.500 175.510 -0.052 0.000 0.975 239 N CA 1.333 54.348 53.050 -0.058 0.000 0.921 239 N CB -1.342 37.132 38.487 -0.021 0.000 1.112 239 N HN 0.446 nan 8.380 nan 0.000 0.581 240 S N -1.390 114.247 115.700 -0.106 0.000 2.810 240 S HA 0.852 5.322 4.470 -0.000 0.000 0.315 240 S C -0.610 173.895 174.600 -0.158 0.000 1.138 240 S CA 0.369 58.515 58.200 -0.090 0.000 0.889 240 S CB 1.845 64.990 63.200 -0.092 0.000 1.236 240 S HN 0.383 nan 8.310 nan 0.000 0.548 241 S N -0.776 114.847 115.700 -0.129 0.000 2.625 241 S HA 0.485 4.955 4.470 -0.000 0.000 0.271 241 S C -0.292 174.221 174.600 -0.145 0.000 1.161 241 S CA -0.868 57.229 58.200 -0.172 0.000 0.820 241 S CB 0.318 63.564 63.200 0.077 0.000 1.137 241 S HN 0.838 nan 8.310 nan 0.000 0.470 242 W N 2.029 123.336 121.300 0.011 0.000 2.407 242 W HA 0.097 4.756 4.660 -0.000 0.000 0.305 242 W C 1.794 178.359 176.519 0.077 0.000 1.196 242 W CA 0.809 58.162 57.345 0.014 0.000 1.311 242 W CB -0.433 29.006 29.460 -0.034 0.000 1.135 242 W HN 0.829 nan 8.180 nan 0.000 0.514 243 S N -0.162 115.741 115.700 0.338 0.000 2.671 243 S HA 0.156 4.626 4.470 -0.000 0.000 0.272 243 S C 1.030 175.726 174.600 0.161 0.000 1.174 243 S CA 0.016 58.376 58.200 0.265 0.000 1.004 243 S CB 0.691 64.091 63.200 0.333 0.000 1.077 243 S HN 0.169 nan 8.310 nan 0.000 0.553 244 T N -0.928 113.698 114.554 0.118 0.000 3.361 244 T HA 0.074 4.424 4.350 -0.000 0.000 0.251 244 T C 1.356 176.041 174.700 -0.024 0.000 1.131 244 T CA 0.260 62.387 62.100 0.045 0.000 1.001 244 T CB -0.723 68.155 68.868 0.016 0.000 1.003 244 T HN 0.504 nan 8.240 nan 0.000 0.558 245 L N 0.493 121.695 121.223 -0.034 0.000 1.990 245 L HA 0.068 4.407 4.340 -0.000 0.000 0.213 245 L C 1.317 178.026 176.870 -0.268 0.000 1.072 245 L CA 1.849 56.560 54.840 -0.216 0.000 0.755 245 L CB -0.648 41.226 42.059 -0.308 0.000 0.889 245 L HN 0.357 nan 8.230 nan 0.000 0.432 246 F N -0.853 119.022 119.950 -0.126 0.000 2.713 246 F HA 0.136 4.663 4.527 -0.000 0.000 0.294 246 F C 1.548 177.313 175.800 -0.059 0.000 1.152 246 F CA 0.557 58.503 58.000 -0.090 0.000 1.385 246 F CB -0.306 38.641 39.000 -0.089 0.000 0.981 246 F HN 0.259 nan 8.300 nan 0.000 0.514 247 T N -4.993 109.585 114.554 0.039 0.000 3.138 247 T HA 0.214 4.564 4.350 -0.000 0.000 0.245 247 T C 0.219 174.900 174.700 -0.033 0.000 0.982 247 T CA 0.249 62.360 62.100 0.018 0.000 1.134 247 T CB 0.534 69.416 68.868 0.023 0.000 1.032 247 T HN 0.049 nan 8.240 nan 0.000 0.442 252 P HA 0.338 nan 4.420 nan 0.000 0.280 252 P C -0.501 176.709 177.300 -0.151 0.000 1.431 252 P CA 0.001 62.841 63.100 -0.434 0.000 1.058 252 P CB -0.080 31.342 31.700 -0.463 0.000 1.521 253 F N -1.128 118.873 119.950 0.084 0.000 2.704 253 F HA 0.257 4.784 4.527 -0.000 0.000 0.304 253 F C 0.954 176.831 175.800 0.129 0.000 1.094 253 F CA -0.969 57.115 58.000 0.141 0.000 1.275 253 F CB -0.859 38.215 39.000 0.123 0.000 1.073 253 F HN -0.176 nan 8.300 nan 0.000 0.586 254 N N 2.676 121.505 118.700 0.216 0.000 2.503 254 N HA 0.166 4.906 4.740 -0.000 0.000 0.267 254 N C -2.630 172.992 175.510 0.185 0.000 1.214 254 N CA -1.297 51.857 53.050 0.173 0.000 0.959 254 N CB 0.203 38.753 38.487 0.105 0.000 1.142 254 N HN -0.167 nan 8.380 nan 0.000 0.455 255 P HA 0.013 nan 4.420 nan 0.000 0.262 255 P C -0.151 177.257 177.300 0.180 0.000 1.182 255 P CA 0.456 63.689 63.100 0.221 0.000 0.761 255 P CB 0.473 32.322 31.700 0.249 0.000 0.795 256 E N 2.741 123.055 120.200 0.190 0.000 2.214 256 E HA 0.201 4.551 4.350 -0.000 0.000 0.274 256 E C 0.947 177.644 176.600 0.162 0.000 0.977 256 E CA -0.621 55.868 56.400 0.150 0.000 0.827 256 E CB 0.724 30.496 29.700 0.120 0.000 1.130 256 E HN 0.059 nan 8.360 nan 0.000 0.394 257 K N 3.215 123.692 120.400 0.128 0.000 2.091 257 K HA -0.260 4.059 4.320 -0.000 0.000 0.225 257 K C -1.133 175.566 176.600 0.165 0.000 1.028 257 K CA 3.046 59.410 56.287 0.129 0.000 0.965 257 K CB -1.428 31.129 32.500 0.095 0.000 0.786 257 K HN 0.477 nan 8.250 nan 0.000 0.459 258 P HA -0.199 nan 4.420 nan 0.000 0.214 258 P C 1.329 178.849 177.300 0.366 0.000 1.163 258 P CA 1.132 64.375 63.100 0.238 0.000 0.889 258 P CB -0.012 31.748 31.700 0.101 0.000 0.790 259 L N -1.273 120.183 121.223 0.388 0.000 2.027 259 L HA -0.115 4.225 4.340 -0.000 0.000 0.206 259 L C 2.072 179.027 176.870 0.142 0.000 1.074 259 L CA 1.847 56.862 54.840 0.291 0.000 0.745 259 L CB -1.745 40.482 42.059 0.281 0.000 0.898 259 L HN -0.164 nan 8.230 nan 0.000 0.433 260 L N 0.656 121.984 121.223 0.175 0.000 2.010 260 L HA -0.284 4.056 4.340 -0.000 0.000 0.219 260 L C 2.769 179.685 176.870 0.078 0.000 1.077 260 L CA 2.386 57.309 54.840 0.140 0.000 0.773 260 L CB -1.909 40.258 42.059 0.181 0.000 0.892 260 L HN 0.465 nan 8.230 nan 0.000 0.436 261 A N -1.510 121.396 122.820 0.144 0.000 1.940 261 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 261 A C 2.400 179.969 177.584 -0.024 0.000 1.176 261 A CA 1.942 54.087 52.037 0.180 0.000 0.631 261 A CB -0.856 18.328 19.000 0.306 0.000 0.814 261 A HN 0.284 nan 8.150 nan 0.000 0.446 262 V N 0.578 120.472 119.914 -0.032 0.000 2.358 262 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 262 V C 2.423 178.350 176.094 -0.278 0.000 1.047 262 V CA 1.564 63.762 62.300 -0.170 0.000 1.035 262 V CB -0.635 31.094 31.823 -0.156 0.000 0.658 262 V HN 0.523 nan 8.190 nan 0.000 0.452 263 I N 0.280 120.686 120.570 -0.273 0.000 2.145 263 I HA -0.316 3.854 4.170 -0.000 0.000 0.244 263 I C 2.439 178.353 176.117 -0.339 0.000 1.075 263 I CA 1.982 63.056 61.300 -0.378 0.000 1.332 263 I CB -1.081 36.561 38.000 -0.596 0.000 1.033 263 I HN 0.406 nan 8.210 nan 0.000 0.410 264 K N 0.585 120.811 120.400 -0.291 0.000 2.026 264 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 264 K C 2.123 178.434 176.600 -0.482 0.000 1.048 264 K CA 1.212 57.331 56.287 -0.281 0.000 0.929 264 K CB -0.225 32.210 32.500 -0.108 0.000 0.713 264 K HN 0.233 nan 8.250 nan 0.000 0.439 265 I N 1.257 121.377 120.570 -0.750 0.000 2.185 265 I HA -0.342 3.828 4.170 -0.000 0.000 0.246 265 I C 2.205 178.033 176.117 -0.482 0.000 1.088 265 I CA 1.433 62.275 61.300 -0.765 0.000 1.347 265 I CB -0.407 37.094 38.000 -0.832 0.000 1.041 265 I HN 0.126 nan 8.210 nan 0.000 0.415 266 I N 0.268 120.603 120.570 -0.392 0.000 2.127 266 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 266 I C 2.741 178.696 176.117 -0.271 0.000 1.075 266 I CA 1.501 62.614 61.300 -0.311 0.000 1.334 266 I CB -0.493 37.330 38.000 -0.296 0.000 1.040 266 I HN 0.155 nan 8.210 nan 0.000 0.405 267 R N 0.737 121.081 120.500 -0.260 0.000 2.091 267 R HA -0.236 4.104 4.340 -0.000 0.000 0.238 267 R C 2.302 178.505 176.300 -0.162 0.000 1.136 267 R CA 1.497 57.481 56.100 -0.194 0.000 0.959 267 R CB -0.564 29.642 30.300 -0.157 0.000 0.856 267 R HN 0.387 nan 8.270 nan 0.000 0.437 268 K N 1.156 121.446 120.400 -0.184 0.000 2.097 268 K HA -0.105 4.214 4.320 -0.000 0.000 0.206 268 K C 2.133 178.671 176.600 -0.104 0.000 1.049 268 K CA 1.083 57.292 56.287 -0.130 0.000 0.933 268 K CB 0.001 32.409 32.500 -0.153 0.000 0.717 268 K HN 0.127 nan 8.250 nan 0.000 0.442 269 L N 0.673 121.826 121.223 -0.117 0.000 2.072 269 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 269 L C 2.325 179.178 176.870 -0.028 0.000 1.079 269 L CA 0.735 55.578 54.840 0.006 0.000 0.752 269 L CB -0.354 41.642 42.059 -0.104 0.000 0.906 269 L HN 0.233 nan 8.230 nan 0.000 0.436 270 L N -0.352 120.795 121.223 -0.127 0.000 2.042 270 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 270 L C 2.242 179.049 176.870 -0.105 0.000 1.076 270 L CA 1.222 55.982 54.840 -0.134 0.000 0.749 270 L CB -0.753 41.215 42.059 -0.152 0.000 0.893 270 L HN 0.301 nan 8.230 nan 0.000 0.432 271 D N 0.059 120.396 120.400 -0.104 0.000 2.149 271 D HA -0.187 4.453 4.640 -0.000 0.000 0.198 271 D C 2.022 178.244 176.300 -0.131 0.000 0.990 271 D CA 1.328 55.267 54.000 -0.101 0.000 0.839 271 D CB 0.006 40.753 40.800 -0.089 0.000 0.948 271 D HN 0.450 nan 8.370 nan 0.000 0.460 272 E N -1.675 118.420 120.200 -0.175 0.000 2.400 272 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 272 E C -0.269 176.024 176.600 -0.511 0.000 1.012 272 E CA 0.137 56.314 56.400 -0.372 0.000 0.875 272 E CB 0.557 29.939 29.700 -0.530 0.000 0.859 272 E HN 0.227 nan 8.360 nan 0.000 0.498 273 Y N 0.210 120.435 120.300 -0.126 0.000 2.524 273 Y HA 0.160 4.709 4.550 -0.000 0.000 0.347 273 Y C -0.380 175.438 175.900 -0.137 0.000 1.005 273 Y CA -1.681 56.340 58.100 -0.132 0.000 1.025 273 Y CB 1.016 39.272 38.460 -0.340 0.000 1.275 273 Y HN -0.070 nan 8.280 nan 0.000 0.460 274 N N 2.219 121.030 118.700 0.186 0.000 2.744 274 N HA 0.263 5.003 4.740 -0.000 0.000 0.290 274 N C -1.129 174.435 175.510 0.090 0.000 1.206 274 N CA 0.183 53.305 53.050 0.120 0.000 1.119 274 N CB -0.137 38.457 38.487 0.179 0.000 1.449 274 N HN 0.433 nan 8.380 nan 0.000 0.514 275 I N 0.503 121.024 120.570 -0.081 0.000 2.433 275 I HA 0.107 4.277 4.170 -0.000 0.000 0.292 275 I C -0.191 175.866 176.117 -0.100 0.000 1.001 275 I CA -1.098 60.121 61.300 -0.135 0.000 1.119 275 I CB 1.621 39.413 38.000 -0.347 0.000 1.289 275 I HN 0.315 nan 8.210 nan 0.000 0.438 276 D N 5.482 125.843 120.400 -0.064 0.000 2.344 276 D HA 0.029 4.669 4.640 -0.000 0.000 0.253 276 D C 0.882 177.103 176.300 -0.132 0.000 1.255 276 D CA 0.046 53.991 54.000 -0.090 0.000 0.894 276 D CB 0.932 41.693 40.800 -0.066 0.000 1.067 276 D HN 0.424 nan 8.370 nan 0.000 0.492 277 E N 2.361 122.480 120.200 -0.134 0.000 2.396 277 E HA -0.147 4.202 4.350 -0.000 0.000 0.200 277 E C 0.793 177.297 176.600 -0.159 0.000 1.023 277 E CA 0.739 57.045 56.400 -0.157 0.000 0.857 277 E CB -0.084 29.534 29.700 -0.136 0.000 0.775 277 E HN 0.394 nan 8.360 nan 0.000 0.525 278 N N 0.612 119.231 118.700 -0.135 0.000 2.336 278 N HA 0.068 4.808 4.740 -0.000 0.000 0.189 278 N C -0.292 175.124 175.510 -0.156 0.000 1.113 278 N CA 0.235 53.215 53.050 -0.117 0.000 0.858 278 N CB 0.498 38.942 38.487 -0.071 0.000 0.970 278 N HN 0.102 nan 8.380 nan 0.000 0.471 279 R N 0.487 120.825 120.500 -0.269 0.000 2.754 279 R HA 0.405 4.744 4.340 -0.000 0.000 0.255 279 R C -0.872 174.967 176.300 -0.768 0.000 1.723 279 R CA -0.152 55.600 56.100 -0.580 0.000 1.596 279 R CB 0.842 30.918 30.300 -0.374 0.000 1.424 279 R HN -0.026 nan 8.270 nan 0.000 0.662 280 I N 2.310 122.539 120.570 -0.568 0.000 2.330 280 I HA 0.348 4.518 4.170 -0.000 0.000 0.289 280 I C -0.651 175.289 176.117 -0.296 0.000 1.001 280 I CA -0.907 60.154 61.300 -0.400 0.000 1.193 280 I CB 0.736 38.597 38.000 -0.232 0.000 1.345 280 I HN 0.210 nan 8.210 nan 0.000 0.461 281 Y N 6.306 126.557 120.300 -0.082 0.000 2.420 281 Y HA 0.580 5.130 4.550 -0.000 0.000 0.334 281 Y C -0.139 175.635 175.900 -0.210 0.000 1.094 281 Y CA -1.232 56.760 58.100 -0.179 0.000 1.126 281 Y CB 1.483 39.701 38.460 -0.404 0.000 1.217 281 Y HN 0.375 nan 8.280 nan 0.000 0.462 282 I N 1.570 122.050 120.570 -0.149 0.000 2.474 282 I HA 0.678 4.847 4.170 -0.000 0.000 0.294 282 I C -0.629 175.338 176.117 -0.249 0.000 1.005 282 I CA -0.033 61.053 61.300 -0.356 0.000 1.113 282 I CB 1.787 39.249 38.000 -0.898 0.000 1.289 282 I HN 0.660 nan 8.210 nan 0.000 0.436 283 T N 4.378 118.839 114.554 -0.155 0.000 2.982 283 T HA 0.866 5.215 4.350 -0.000 0.000 0.321 283 T C -0.807 173.972 174.700 0.132 0.000 1.229 283 T CA 0.013 62.124 62.100 0.018 0.000 1.044 283 T CB 1.030 70.021 68.868 0.206 0.000 1.184 283 T HN 1.041 nan 8.240 nan 0.000 0.477 284 G N 1.678 110.553 108.800 0.126 0.000 2.606 284 G HA2 0.683 4.643 3.960 -0.000 0.000 0.300 284 G HA3 0.683 4.643 3.960 -0.000 0.000 0.300 284 G C -1.996 172.984 174.900 0.134 0.000 1.360 284 G CA -0.567 44.573 45.100 0.066 0.000 0.783 284 G HN 1.244 nan 8.290 nan 0.000 0.484 285 L N 0.337 121.612 121.223 0.086 0.000 2.845 285 L HA 0.513 4.853 4.340 -0.000 0.000 0.253 285 L C 0.343 177.193 176.870 -0.034 0.000 0.959 285 L CA 0.582 55.462 54.840 0.068 0.000 1.001 285 L CB 0.909 43.012 42.059 0.074 0.000 1.374 285 L HN 1.638 nan 8.230 nan 0.000 0.469 286 S N 3.402 119.182 115.700 0.134 0.000 4.116 286 S HA -0.367 4.103 4.470 -0.000 0.000 0.623 286 S C 1.169 175.980 174.600 0.352 0.000 1.933 286 S CA 1.876 60.252 58.200 0.293 0.000 4.224 286 S CB -1.041 62.329 63.200 0.284 0.000 0.208 286 S HN 0.987 nan 8.310 nan 0.000 0.527 287 M N 1.589 121.361 119.600 0.288 0.000 2.149 287 M HA -0.015 4.465 4.480 -0.000 0.000 0.261 287 M C 1.958 178.496 176.300 0.396 0.000 1.064 287 M CA 2.695 58.189 55.300 0.324 0.000 1.102 287 M CB -1.198 31.481 32.600 0.132 0.000 1.369 287 M HN 0.717 nan 8.290 nan 0.000 0.408 288 G N -0.727 108.243 108.800 0.283 0.000 2.501 288 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.220 288 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.220 288 G C 1.262 176.204 174.900 0.070 0.000 1.114 288 G CA 0.863 46.045 45.100 0.136 0.000 0.757 288 G HN 0.646 nan 8.290 nan 0.000 0.559 289 G N -0.270 108.645 108.800 0.193 0.000 2.437 289 G HA2 0.020 3.980 3.960 -0.000 0.000 0.212 289 G HA3 0.020 3.980 3.960 -0.000 0.000 0.212 289 G C 1.407 176.433 174.900 0.210 0.000 1.174 289 G CA 0.495 45.676 45.100 0.135 0.000 0.811 289 G HN 0.380 nan 8.290 nan 0.000 0.537 290 Y N 1.446 121.937 120.300 0.319 0.000 2.030 290 Y HA -0.234 4.316 4.550 -0.000 0.000 0.272 290 Y C 3.109 179.170 175.900 0.269 0.000 1.185 290 Y CA 1.385 59.690 58.100 0.342 0.000 1.120 290 Y CB -0.884 37.766 38.460 0.317 0.000 0.955 290 Y HN 0.209 nan 8.280 nan 0.000 0.495 291 G N -0.797 108.238 108.800 0.391 0.000 2.624 291 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.221 291 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.221 291 G C 1.719 176.632 174.900 0.022 0.000 1.169 291 G CA 2.114 47.330 45.100 0.192 0.000 0.771 291 G HN 0.406 nan 8.290 nan 0.000 0.598 292 T N 0.048 114.556 114.554 -0.078 0.000 2.674 292 T HA -0.160 4.189 4.350 -0.000 0.000 0.265 292 T C 2.015 176.633 174.700 -0.136 0.000 1.039 292 T CA 1.549 63.511 62.100 -0.230 0.000 1.150 292 T CB -0.379 68.287 68.868 -0.336 0.000 0.864 292 T HN 0.559 nan 8.240 nan 0.000 0.427 293 W N 1.356 122.626 121.300 -0.051 0.000 2.325 293 W HA -0.162 4.498 4.660 -0.000 0.000 0.299 293 W C 2.796 179.321 176.519 0.009 0.000 1.215 293 W CA 1.031 58.348 57.345 -0.046 0.000 1.244 293 W CB -0.839 28.562 29.460 -0.098 0.000 1.140 293 W HN 0.210 nan 8.180 nan 0.000 0.523 294 T N -0.050 114.681 114.554 0.296 0.000 2.770 294 T HA -0.146 4.204 4.350 -0.000 0.000 0.263 294 T C 2.048 176.906 174.700 0.263 0.000 1.039 294 T CA 1.661 63.923 62.100 0.269 0.000 1.142 294 T CB -0.918 68.129 68.868 0.299 0.000 0.868 294 T HN 0.189 nan 8.240 nan 0.000 0.435 295 A N 2.013 124.948 122.820 0.193 0.000 1.940 295 A HA -0.173 4.147 4.320 -0.000 0.000 0.221 295 A C 2.303 180.118 177.584 0.385 0.000 1.190 295 A CA 2.126 54.306 52.037 0.237 0.000 0.647 295 A CB -0.939 17.991 19.000 -0.117 0.000 0.821 295 A HN 0.757 nan 8.150 nan 0.000 0.457 296 I N -4.853 115.832 120.570 0.192 0.000 2.585 296 I HA 0.020 4.189 4.170 -0.000 0.000 0.254 296 I C 2.345 178.614 176.117 0.253 0.000 1.129 296 I CA 1.215 62.668 61.300 0.254 0.000 1.455 296 I CB -0.384 37.674 38.000 0.096 0.000 1.111 296 I HN 0.154 nan 8.210 nan 0.000 0.433 297 M N 0.896 120.622 119.600 0.210 0.000 2.394 297 M HA -0.024 4.456 4.480 -0.000 0.000 0.264 297 M C 1.549 177.894 176.300 0.075 0.000 1.073 297 M CA 1.224 56.610 55.300 0.142 0.000 1.111 297 M CB -0.042 32.636 32.600 0.130 0.000 1.401 297 M HN 0.225 nan 8.290 nan 0.000 0.448 298 E N -0.793 119.458 120.200 0.085 0.000 2.460 298 E HA 0.121 4.471 4.350 -0.000 0.000 0.200 298 E C -0.229 176.006 176.600 -0.610 0.000 1.011 298 E CA 0.544 56.808 56.400 -0.226 0.000 0.912 298 E CB 0.524 30.099 29.700 -0.209 0.000 0.953 298 E HN 0.415 nan 8.360 nan 0.000 0.494 299 F N -0.084 119.941 119.950 0.125 0.000 2.577 299 F HA 0.287 4.814 4.527 -0.000 0.000 0.359 299 F C -2.041 173.810 175.800 0.086 0.000 1.535 299 F CA -1.515 56.531 58.000 0.076 0.000 1.093 299 F CB 1.545 40.574 39.000 0.048 0.000 1.613 299 F HN -0.138 nan 8.300 nan 0.000 0.558 300 P HA -0.111 nan 4.420 nan 0.000 0.226 300 P C 1.326 178.692 177.300 0.110 0.000 1.153 300 P CA 1.266 64.462 63.100 0.160 0.000 0.777 300 P CB 0.332 32.088 31.700 0.094 0.000 0.794 301 E N -0.985 119.253 120.200 0.064 0.000 2.285 301 E HA -0.066 4.284 4.350 -0.000 0.000 0.194 301 E C 1.639 178.199 176.600 -0.066 0.000 0.997 301 E CA 0.499 56.903 56.400 0.006 0.000 0.845 301 E CB -0.378 29.319 29.700 -0.004 0.000 0.782 301 E HN 0.181 nan 8.360 nan 0.000 0.491 302 L N 0.014 121.147 121.223 -0.149 0.000 2.179 302 L HA 0.029 4.368 4.340 -0.000 0.000 0.208 302 L C 0.210 176.738 176.870 -0.570 0.000 1.096 302 L CA 1.252 55.808 54.840 -0.473 0.000 0.779 302 L CB 0.069 41.635 42.059 -0.822 0.000 0.922 302 L HN -0.156 nan 8.230 nan 0.000 0.443 303 F N -1.816 118.110 119.950 -0.040 0.000 2.480 303 F HA 0.530 5.056 4.527 -0.000 0.000 0.329 303 F C 1.107 176.878 175.800 -0.048 0.000 1.091 303 F CA -0.276 57.684 58.000 -0.066 0.000 0.972 303 F CB 1.198 40.172 39.000 -0.043 0.000 1.150 303 F HN -0.171 nan 8.300 nan 0.000 0.467 304 A N 1.819 124.714 122.820 0.124 0.000 2.081 304 A HA 0.699 5.019 4.320 -0.000 0.000 0.214 304 A C 0.616 178.290 177.584 0.150 0.000 1.158 304 A CA 0.928 53.020 52.037 0.091 0.000 0.724 304 A CB -0.168 18.835 19.000 0.005 0.000 0.826 304 A HN 0.927 nan 8.150 nan 0.000 0.463 305 A N -2.343 120.601 122.820 0.208 0.000 2.567 305 A HA 0.715 5.035 4.320 -0.000 0.000 0.291 305 A C -0.975 176.644 177.584 0.059 0.000 1.048 305 A CA 0.052 52.143 52.037 0.090 0.000 0.661 305 A CB -0.028 18.876 19.000 -0.160 0.000 1.288 305 A HN 1.771 nan 8.150 nan 0.000 0.424 306 A N 0.078 122.932 122.820 0.057 0.000 2.566 306 A HA 0.734 5.054 4.320 -0.000 0.000 0.297 306 A C -1.385 176.217 177.584 0.030 0.000 1.059 306 A CA -0.231 51.769 52.037 -0.062 0.000 0.691 306 A CB 0.867 19.735 19.000 -0.220 0.000 1.282 306 A HN 1.148 nan 8.150 nan 0.000 0.401 307 I N 3.483 124.042 120.570 -0.019 0.000 2.595 307 I HA 0.287 4.456 4.170 -0.000 0.000 0.275 307 I C -2.455 173.626 176.117 -0.060 0.000 1.092 307 I CA -1.806 59.522 61.300 0.047 0.000 1.145 307 I CB 2.043 40.115 38.000 0.121 0.000 1.276 307 I HN 0.342 nan 8.210 nan 0.000 0.497 308 P HA 0.310 nan 4.420 nan 0.000 0.282 308 P C -0.547 176.764 177.300 0.019 0.000 1.262 308 P CA -0.014 62.933 63.100 -0.255 0.000 0.773 308 P CB 1.075 32.276 31.700 -0.831 0.000 0.879 309 I N 4.577 125.195 120.570 0.081 0.000 2.362 309 I HA 0.149 4.319 4.170 -0.000 0.000 0.289 309 I C 0.682 176.905 176.117 0.177 0.000 0.994 309 I CA -0.545 60.848 61.300 0.155 0.000 1.158 309 I CB 0.678 38.722 38.000 0.074 0.000 1.315 309 I HN 0.568 nan 8.210 nan 0.000 0.451 310 C N 3.246 122.629 119.300 0.138 0.000 3.409 310 C HA -0.068 4.392 4.460 -0.000 0.000 0.273 310 C C 0.720 175.824 174.990 0.189 0.000 1.375 310 C CA -0.245 58.706 59.018 -0.111 0.000 2.175 310 C CB -3.091 24.413 27.740 -0.393 0.000 1.410 310 C HN 1.093 nan 8.230 nan 0.000 0.550 311 G N 0.070 109.003 108.800 0.222 0.000 3.262 311 G HA2 1.016 4.976 3.960 -0.000 0.000 0.229 311 G HA3 1.016 4.976 3.960 -0.000 0.000 0.229 311 G C -0.070 174.561 174.900 -0.448 0.000 1.280 311 G CA -0.210 44.805 45.100 -0.141 0.000 0.951 311 G HN 1.860 nan 8.290 nan 0.000 0.589 312 G N -2.819 105.187 108.800 -1.324 0.000 2.749 312 G HA2 0.838 4.798 3.960 -0.000 0.000 0.300 312 G HA3 0.838 4.798 3.960 -0.000 0.000 0.300 312 G C -0.524 173.888 174.900 -0.812 0.000 1.352 312 G CA 0.146 44.714 45.100 -0.888 0.000 0.789 312 G HN 1.893 nan 8.290 nan 0.000 0.509 313 G N -1.312 106.830 108.800 -1.098 0.000 2.316 313 G HA2 0.384 4.343 3.960 -0.000 0.000 0.296 313 G HA3 0.384 4.343 3.960 -0.000 0.000 0.296 313 G C -1.895 172.160 174.900 -1.408 0.000 1.399 313 G CA -0.558 43.758 45.100 -1.307 0.000 0.833 313 G HN 0.584 nan 8.290 nan 0.000 0.565 314 D N 0.527 120.391 120.400 -0.893 0.000 2.346 314 D HA 0.130 4.770 4.640 -0.000 0.000 0.267 314 D C 1.537 177.656 176.300 -0.302 0.000 1.320 314 D CA 0.277 54.044 54.000 -0.388 0.000 0.951 314 D CB 1.388 42.188 40.800 0.001 0.000 1.079 314 D HN 0.395 nan 8.370 nan 0.000 0.509 315 V N 3.550 123.287 119.914 -0.295 0.000 3.141 315 V HA -0.150 3.969 4.120 -0.000 0.000 0.265 315 V C 1.837 177.857 176.094 -0.124 0.000 1.126 315 V CA 2.031 64.189 62.300 -0.237 0.000 1.141 315 V CB -0.285 31.398 31.823 -0.233 0.000 0.743 315 V HN 0.592 nan 8.190 nan 0.000 0.492 316 S N -0.961 114.697 115.700 -0.070 0.000 2.607 316 S HA 0.060 4.529 4.470 -0.000 0.000 0.224 316 S C 1.346 175.930 174.600 -0.027 0.000 0.969 316 S CA 0.476 58.656 58.200 -0.033 0.000 0.927 316 S CB -0.274 62.926 63.200 0.000 0.000 0.772 316 S HN 0.724 nan 8.310 nan 0.000 0.533 317 K N 0.358 120.735 120.400 -0.039 0.000 2.564 317 K HA 0.352 4.672 4.320 -0.000 0.000 0.205 317 K C 0.606 177.195 176.600 -0.018 0.000 1.053 317 K CA -0.048 56.228 56.287 -0.018 0.000 1.072 317 K CB 0.873 33.373 32.500 0.001 0.000 0.822 317 K HN 0.141 nan 8.250 nan 0.000 0.497 318 V N 1.102 120.990 119.914 -0.042 0.000 2.548 318 V HA -0.193 3.926 4.120 -0.000 0.000 0.249 318 V C 2.135 178.232 176.094 0.006 0.000 1.055 318 V CA 1.862 64.144 62.300 -0.029 0.000 1.065 318 V CB 0.046 31.824 31.823 -0.076 0.000 0.681 318 V HN 0.330 nan 8.190 nan 0.000 0.462 319 E N 0.579 120.777 120.200 -0.002 0.000 2.070 319 E HA -0.282 4.068 4.350 -0.000 0.000 0.197 319 E C 2.233 178.846 176.600 0.021 0.000 1.004 319 E CA 1.746 58.149 56.400 0.006 0.000 0.805 319 E CB -0.284 29.416 29.700 -0.001 0.000 0.744 319 E HN 0.457 nan 8.360 nan 0.000 0.451 320 R N -0.390 120.124 120.500 0.023 0.000 2.153 320 R HA -0.181 4.159 4.340 -0.000 0.000 0.252 320 R C 2.098 178.432 176.300 0.056 0.000 1.158 320 R CA 2.003 58.123 56.100 0.034 0.000 0.975 320 R CB -0.584 29.736 30.300 0.034 0.000 0.871 320 R HN 0.472 nan 8.270 nan 0.000 0.450 321 I N -1.471 119.144 120.570 0.074 0.000 3.976 321 I HA 0.106 4.276 4.170 -0.000 0.000 0.337 321 I C 1.212 177.384 176.117 0.092 0.000 1.359 321 I CA -0.231 61.130 61.300 0.102 0.000 1.098 321 I CB 0.288 38.379 38.000 0.151 0.000 1.027 321 I HN -0.052 nan 8.210 nan 0.000 0.394 322 K N 0.434 120.873 120.400 0.065 0.000 2.520 322 K HA -0.162 4.157 4.320 -0.000 0.000 0.197 322 K C 0.264 176.897 176.600 0.055 0.000 1.044 322 K CA 1.645 57.964 56.287 0.053 0.000 0.938 322 K CB -0.196 32.322 32.500 0.031 0.000 0.767 322 K HN 0.314 nan 8.250 nan 0.000 0.481 323 D N 0.448 120.885 120.400 0.061 0.000 2.474 323 D HA 0.228 4.867 4.640 -0.000 0.000 0.213 323 D C 0.005 176.347 176.300 0.071 0.000 1.120 323 D CA -0.104 53.930 54.000 0.057 0.000 0.836 323 D CB 0.393 41.220 40.800 0.044 0.000 1.019 323 D HN 0.207 nan 8.370 nan 0.000 0.507 324 I N 2.388 123.011 120.570 0.089 0.000 2.371 324 I HA 0.209 4.379 4.170 -0.000 0.000 0.290 324 I C -2.177 174.017 176.117 0.130 0.000 1.028 324 I CA -1.968 59.393 61.300 0.103 0.000 1.345 324 I CB 0.836 38.904 38.000 0.114 0.000 1.407 324 I HN -0.340 nan 8.210 nan 0.000 0.501 325 P HA 0.181 nan 4.420 nan 0.000 0.264 325 P C -0.669 176.873 177.300 0.404 0.000 1.193 325 P CA 0.492 63.757 63.100 0.276 0.000 0.763 325 P CB 0.378 32.165 31.700 0.146 0.000 0.810 326 I N 2.865 123.698 120.570 0.438 0.000 2.607 326 I HA 0.357 4.527 4.170 -0.000 0.000 0.290 326 I C -1.075 175.128 176.117 0.144 0.000 1.129 326 I CA -0.561 60.914 61.300 0.292 0.000 1.042 326 I CB 2.400 40.443 38.000 0.072 0.000 1.242 326 I HN 0.334 nan 8.210 nan 0.000 0.421 327 W N 7.553 128.750 121.300 -0.170 0.000 2.424 327 W HA 0.609 5.269 4.660 -0.000 0.000 0.318 327 W C -1.439 175.008 176.519 -0.119 0.000 1.016 327 W CA -1.022 56.091 57.345 -0.387 0.000 1.268 327 W CB 1.325 30.313 29.460 -0.786 0.000 1.297 327 W HN 0.072 nan 8.180 nan 0.000 0.428 328 V N 7.299 127.401 119.914 0.312 0.000 2.509 328 V HA 0.458 4.578 4.120 -0.000 0.000 0.284 328 V C -0.499 175.667 176.094 0.120 0.000 1.047 328 V CA -0.301 62.162 62.300 0.272 0.000 0.952 328 V CB 0.877 32.891 31.823 0.318 0.000 0.988 328 V HN 0.277 nan 8.190 nan 0.000 0.469 329 F N 2.801 122.870 119.950 0.200 0.000 2.565 329 F HA 0.716 5.242 4.527 -0.000 0.000 0.313 329 F C -0.101 175.843 175.800 0.239 0.000 1.091 329 F CA -0.385 57.654 58.000 0.064 0.000 0.915 329 F CB 1.862 40.803 39.000 -0.098 0.000 1.208 329 F HN 0.519 nan 8.300 nan 0.000 0.453 330 H N 1.197 120.412 119.070 0.241 0.000 3.120 330 H HA 0.521 5.077 4.556 -0.000 0.000 0.314 330 H C -1.672 173.802 175.328 0.243 0.000 1.151 330 H CA -0.765 55.450 56.048 0.278 0.000 1.404 330 H CB 1.686 31.642 29.762 0.324 0.000 2.031 330 H HN 0.823 nan 8.280 nan 0.000 0.513 331 A N 2.770 125.856 122.820 0.442 0.000 2.309 331 A HA 0.314 4.633 4.320 -0.000 0.000 0.298 331 A C 1.292 179.109 177.584 0.389 0.000 1.165 331 A CA 0.074 52.357 52.037 0.410 0.000 0.821 331 A CB 0.623 19.803 19.000 0.300 0.000 1.102 331 A HN 0.818 nan 8.150 nan 0.000 0.500 332 E N 1.729 122.090 120.200 0.268 0.000 2.106 332 E HA -0.183 4.166 4.350 -0.000 0.000 0.192 332 E C 0.361 177.082 176.600 0.202 0.000 0.984 332 E CA 1.675 58.197 56.400 0.204 0.000 0.806 332 E CB -0.046 29.730 29.700 0.126 0.000 0.750 332 E HN 0.625 nan 8.360 nan 0.000 0.458 333 D N 0.610 121.130 120.400 0.201 0.000 2.881 333 D HA 0.040 4.680 4.640 -0.000 0.000 0.240 333 D C -0.615 175.810 176.300 0.210 0.000 1.249 333 D CA -0.387 53.719 54.000 0.178 0.000 0.839 333 D CB -0.377 40.511 40.800 0.146 0.000 1.042 333 D HN 0.058 nan 8.370 nan 0.000 0.475 334 D N 1.769 122.332 120.400 0.272 0.000 2.348 334 D HA 0.064 4.704 4.640 -0.000 0.000 0.253 334 D C -1.482 174.979 176.300 0.269 0.000 1.161 334 D CA -1.642 52.544 54.000 0.311 0.000 0.876 334 D CB 1.780 42.830 40.800 0.417 0.000 1.160 334 D HN 0.072 nan 8.370 nan 0.000 0.459 335 P HA 0.063 nan 4.420 nan 0.000 0.267 335 P C 0.825 178.217 177.300 0.154 0.000 1.289 335 P CA -0.030 63.174 63.100 0.174 0.000 0.866 335 P CB 0.910 32.697 31.700 0.146 0.000 1.309 336 V N -0.701 119.301 119.914 0.148 0.000 2.627 336 V HA 0.100 4.220 4.120 -0.000 0.000 0.239 336 V C 1.002 177.201 176.094 0.175 0.000 1.077 336 V CA 0.764 63.099 62.300 0.058 0.000 1.103 336 V CB 0.355 31.947 31.823 -0.385 0.000 0.802 336 V HN -0.206 nan 8.190 nan 0.000 0.482 337 V N 2.394 122.495 119.914 0.313 0.000 2.325 337 V HA 0.387 4.507 4.120 -0.000 0.000 0.280 337 V C -2.661 173.720 176.094 0.477 0.000 1.016 337 V CA -1.944 60.609 62.300 0.422 0.000 0.818 337 V CB 1.033 33.185 31.823 0.549 0.000 1.019 337 V HN 0.287 nan 8.190 nan 0.000 0.434 338 P HA -0.095 nan 4.420 nan 0.000 0.255 338 P C 1.161 178.569 177.300 0.181 0.000 1.151 338 P CA 0.811 64.059 63.100 0.246 0.000 0.767 338 P CB 0.697 32.495 31.700 0.164 0.000 0.736 339 V N 4.038 124.031 119.914 0.131 0.000 2.527 339 V HA -0.303 3.817 4.120 -0.000 0.000 0.255 339 V C 2.120 178.028 176.094 -0.309 0.000 1.081 339 V CA 2.584 64.703 62.300 -0.301 0.000 1.092 339 V CB -0.744 31.083 31.823 0.008 0.000 0.673 339 V HN 0.516 nan 8.190 nan 0.000 0.470 340 E N 0.984 121.124 120.200 -0.101 0.000 2.118 340 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 340 E C 1.764 178.285 176.600 -0.132 0.000 0.992 340 E CA 2.359 58.710 56.400 -0.082 0.000 0.804 340 E CB -0.655 29.034 29.700 -0.017 0.000 0.741 340 E HN 0.856 nan 8.360 nan 0.000 0.458 341 N N -0.767 117.864 118.700 -0.116 0.000 2.205 341 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 341 N C 1.578 176.939 175.510 -0.248 0.000 1.015 341 N CA 1.140 54.106 53.050 -0.140 0.000 0.862 341 N CB -0.048 38.419 38.487 -0.033 0.000 0.986 341 N HN 0.051 nan 8.380 nan 0.000 0.429 342 S N 0.390 115.940 115.700 -0.251 0.000 2.388 342 S HA 0.074 4.543 4.470 -0.000 0.000 0.223 342 S C 1.718 176.073 174.600 -0.408 0.000 1.034 342 S CA 0.336 58.398 58.200 -0.230 0.000 0.963 342 S CB 0.075 63.253 63.200 -0.037 0.000 0.827 342 S HN 0.250 nan 8.310 nan 0.000 0.481 343 R N 0.716 121.010 120.500 -0.343 0.000 2.112 343 R HA -0.121 4.219 4.340 -0.000 0.000 0.242 343 R C 2.296 178.426 176.300 -0.282 0.000 1.137 343 R CA 1.621 57.536 56.100 -0.308 0.000 0.944 343 R CB -1.065 29.150 30.300 -0.142 0.000 0.857 343 R HN 0.261 nan 8.270 nan 0.000 0.435 344 V N 1.337 121.107 119.914 -0.241 0.000 2.332 344 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 344 V C 2.102 178.028 176.094 -0.279 0.000 1.055 344 V CA 1.771 63.938 62.300 -0.220 0.000 1.038 344 V CB -0.207 31.504 31.823 -0.187 0.000 0.651 344 V HN 0.290 nan 8.190 nan 0.000 0.450 345 L N -1.154 119.835 121.223 -0.391 0.000 2.072 345 L HA -0.084 4.256 4.340 -0.000 0.000 0.205 345 L C 2.446 179.125 176.870 -0.318 0.000 1.079 345 L CA 1.235 55.787 54.840 -0.480 0.000 0.752 345 L CB -0.431 41.078 42.059 -0.917 0.000 0.906 345 L HN 0.198 nan 8.230 nan 0.000 0.436 346 V N 0.185 119.910 119.914 -0.315 0.000 2.343 346 V HA -0.312 3.807 4.120 -0.000 0.000 0.247 346 V C 2.532 178.506 176.094 -0.200 0.000 1.051 346 V CA 1.926 64.069 62.300 -0.263 0.000 1.036 346 V CB -0.490 31.018 31.823 -0.525 0.000 0.654 346 V HN 0.448 nan 8.190 nan 0.000 0.451 347 K N 0.567 120.842 120.400 -0.208 0.000 1.985 347 K HA -0.279 4.041 4.320 -0.000 0.000 0.210 347 K C 2.270 178.801 176.600 -0.115 0.000 1.047 347 K CA 2.094 58.296 56.287 -0.142 0.000 0.932 347 K CB -0.222 32.202 32.500 -0.128 0.000 0.716 347 K HN 0.231 nan 8.250 nan 0.000 0.439 348 K N 0.713 121.035 120.400 -0.130 0.000 2.103 348 K HA -0.149 4.170 4.320 -0.000 0.000 0.207 348 K C 2.012 178.562 176.600 -0.083 0.000 1.048 348 K CA 1.168 57.392 56.287 -0.105 0.000 0.930 348 K CB -0.416 32.009 32.500 -0.126 0.000 0.716 348 K HN 0.188 nan 8.250 nan 0.000 0.444 349 L N 0.137 121.308 121.223 -0.087 0.000 2.027 349 L HA 0.001 4.341 4.340 -0.000 0.000 0.206 349 L C 2.136 178.985 176.870 -0.034 0.000 1.074 349 L CA 2.150 56.964 54.840 -0.043 0.000 0.745 349 L CB -1.022 41.031 42.059 -0.010 0.000 0.898 349 L HN 0.256 nan 8.230 nan 0.000 0.433 350 A N -0.443 122.347 122.820 -0.051 0.000 1.930 350 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 350 A C 2.123 179.683 177.584 -0.040 0.000 1.175 350 A CA 1.481 53.490 52.037 -0.046 0.000 0.627 350 A CB -0.700 18.264 19.000 -0.061 0.000 0.815 350 A HN 0.688 nan 8.150 nan 0.000 0.443 351 E N -0.947 119.225 120.200 -0.045 0.000 2.347 351 E HA -0.081 4.269 4.350 -0.000 0.000 0.196 351 E C 1.043 177.625 176.600 -0.030 0.000 1.008 351 E CA 0.731 57.108 56.400 -0.038 0.000 0.852 351 E CB -0.098 29.577 29.700 -0.042 0.000 0.783 351 E HN 0.408 nan 8.360 nan 0.000 0.505 352 I N 0.590 121.143 120.570 -0.028 0.000 3.904 352 I HA 0.206 4.376 4.170 -0.000 0.000 0.333 352 I C 1.160 177.270 176.117 -0.011 0.000 1.361 352 I CA 0.937 62.225 61.300 -0.020 0.000 1.116 352 I CB 0.067 38.054 38.000 -0.022 0.000 1.028 352 I HN 0.426 nan 8.210 nan 0.000 0.398 353 G N 0.152 108.945 108.800 -0.011 0.000 2.491 353 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.203 353 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.203 353 G C 0.936 175.836 174.900 0.001 0.000 1.052 353 G CA -0.054 45.044 45.100 -0.004 0.000 0.675 353 G HN 0.879 nan 8.290 nan 0.000 0.504 354 G N 0.523 109.327 108.800 0.005 0.000 2.669 354 G HA2 0.038 3.998 3.960 -0.000 0.000 0.250 354 G HA3 0.038 3.998 3.960 -0.000 0.000 0.250 354 G C 0.450 175.367 174.900 0.028 0.000 1.247 354 G CA 0.972 46.076 45.100 0.007 0.000 0.958 354 G HN 1.580 nan 8.290 nan 0.000 0.559 355 K N -1.450 118.964 120.400 0.023 0.000 3.181 355 K HA -0.022 4.298 4.320 -0.000 0.000 0.269 355 K C -0.328 176.308 176.600 0.061 0.000 1.097 355 K CA 0.824 57.144 56.287 0.055 0.000 0.783 355 K CB -1.580 30.971 32.500 0.084 0.000 1.267 355 K HN 1.509 nan 8.250 nan 0.000 0.484 356 V N 0.345 120.253 119.914 -0.010 0.000 2.656 356 V HA 0.594 4.714 4.120 -0.000 0.000 0.307 356 V C -0.525 175.453 176.094 -0.192 0.000 1.051 356 V CA -0.762 61.511 62.300 -0.046 0.000 0.893 356 V CB 1.721 33.539 31.823 -0.009 0.000 0.999 356 V HN 0.295 nan 8.190 nan 0.000 0.426 357 R N 4.134 124.441 120.500 -0.323 0.000 2.854 357 R HA 0.582 4.922 4.340 -0.000 0.000 0.271 357 R C -2.086 174.045 176.300 -0.282 0.000 0.996 357 R CA -0.744 54.991 56.100 -0.608 0.000 0.961 357 R CB 2.468 31.836 30.300 -1.553 0.000 1.182 357 R HN 0.704 nan 8.270 nan 0.000 0.479 358 Y N -0.019 120.003 120.300 -0.464 0.000 2.401 358 Y HA 0.273 4.823 4.550 -0.000 0.000 0.330 358 Y C -1.224 174.496 175.900 -0.300 0.000 1.071 358 Y CA -0.701 57.235 58.100 -0.272 0.000 1.049 358 Y CB 2.290 40.635 38.460 -0.192 0.000 1.239 358 Y HN 0.456 nan 8.280 nan 0.000 0.437 359 T N 5.575 119.677 114.554 -0.753 0.000 3.241 359 T HA 0.150 4.500 4.350 -0.000 0.000 0.387 359 T C -0.660 173.371 174.700 -1.115 0.000 1.451 359 T CA -0.509 61.063 62.100 -0.881 0.000 1.363 359 T CB -0.072 68.243 68.868 -0.923 0.000 1.074 359 T HN 0.612 nan 8.240 nan 0.000 0.598 360 E N 3.211 122.758 120.200 -1.089 0.000 2.001 360 E HA 0.187 4.536 4.350 -0.000 0.000 0.279 360 E C -0.727 175.599 176.600 -0.456 0.000 1.045 360 E CA -0.650 55.276 56.400 -0.789 0.000 0.833 360 E CB 0.305 29.566 29.700 -0.730 0.000 1.077 360 E HN 0.450 nan 8.360 nan 0.000 0.397 361 Y N 2.821 123.018 120.300 -0.173 0.000 2.721 361 Y HA -0.057 4.493 4.550 -0.000 0.000 0.329 361 Y C 0.820 176.686 175.900 -0.056 0.000 1.211 361 Y CA 0.193 58.184 58.100 -0.182 0.000 1.512 361 Y CB 0.224 38.634 38.460 -0.083 0.000 1.249 361 Y HN 0.454 nan 8.280 nan 0.000 0.549 362 E N 2.852 123.096 120.200 0.073 0.000 2.415 362 E HA -0.021 4.329 4.350 -0.000 0.000 0.262 362 E C -0.046 176.670 176.600 0.192 0.000 1.038 362 E CA -0.551 55.914 56.400 0.109 0.000 0.921 362 E CB 0.546 30.299 29.700 0.087 0.000 0.950 362 E HN 0.424 nan 8.360 nan 0.000 0.438 363 K N 1.371 121.859 120.400 0.146 0.000 2.472 363 K HA -0.055 4.265 4.320 -0.000 0.000 0.280 363 K C 0.804 177.488 176.600 0.140 0.000 1.028 363 K CA 1.051 57.424 56.287 0.142 0.000 1.045 363 K CB 0.004 32.566 32.500 0.105 0.000 0.902 363 K HN 0.741 nan 8.250 nan 0.000 0.478 364 G N 4.722 113.604 108.800 0.136 0.000 2.399 364 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.216 364 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.216 364 G C 0.680 175.653 174.900 0.120 0.000 1.096 364 G CA 0.272 45.432 45.100 0.100 0.000 0.650 364 G HN 0.698 nan 8.290 nan 0.000 0.512 365 F N 1.934 121.923 119.950 0.064 0.000 2.063 365 F HA -0.227 4.300 4.527 -0.000 0.000 0.297 365 F C 2.840 178.687 175.800 0.078 0.000 1.099 365 F CA 3.282 61.342 58.000 0.099 0.000 1.220 365 F CB -0.185 38.905 39.000 0.150 0.000 0.972 365 F HN 0.231 nan 8.300 nan 0.000 0.487 366 M N -0.111 119.571 119.600 0.137 0.000 2.077 366 M HA -0.199 4.281 4.480 -0.000 0.000 0.261 366 M C 2.173 178.402 176.300 -0.119 0.000 1.070 366 M CA 1.846 57.163 55.300 0.029 0.000 1.125 366 M CB -1.410 31.281 32.600 0.151 0.000 1.339 366 M HN 0.225 nan 8.290 nan 0.000 0.409 367 E N 0.335 120.502 120.200 -0.055 0.000 2.118 367 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 367 E C 1.982 178.458 176.600 -0.207 0.000 0.992 367 E CA 1.262 57.604 56.400 -0.096 0.000 0.804 367 E CB -0.180 29.502 29.700 -0.030 0.000 0.741 367 E HN 0.391 nan 8.360 nan 0.000 0.458 368 K N 0.121 120.377 120.400 -0.240 0.000 2.211 368 K HA -0.194 4.126 4.320 -0.000 0.000 0.204 368 K C 1.340 177.573 176.600 -0.611 0.000 1.047 368 K CA 1.344 57.413 56.287 -0.364 0.000 0.935 368 K CB 0.057 32.362 32.500 -0.325 0.000 0.728 368 K HN 0.264 nan 8.250 nan 0.000 0.452 369 H N -1.888 116.700 119.070 -0.803 0.000 2.652 369 H HA 0.149 4.704 4.556 -0.000 0.000 0.274 369 H C 0.652 175.190 175.328 -1.317 0.000 1.021 369 H CA 0.671 55.977 56.048 -1.236 0.000 1.187 369 H CB 1.348 29.832 29.762 -2.130 0.000 1.505 369 H HN 0.503 nan 8.280 nan 0.000 0.530 370 G N 0.823 109.205 108.800 -0.696 0.000 2.132 370 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.234 370 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.234 370 G C -0.415 174.366 174.900 -0.198 0.000 0.989 370 G CA -0.140 44.719 45.100 -0.402 0.000 0.676 370 G HN 0.163 nan 8.290 nan 0.000 0.522 371 W N 0.671 121.917 121.300 -0.091 0.000 2.606 371 W HA 0.600 5.260 4.660 -0.000 0.000 0.332 371 W C 0.004 176.471 176.519 -0.086 0.000 1.052 371 W CA -2.075 55.200 57.345 -0.116 0.000 1.223 371 W CB 0.776 30.113 29.460 -0.205 0.000 1.383 371 W HN 0.130 nan 8.180 nan 0.000 0.524 372 D N 4.432 124.927 120.400 0.158 0.000 2.487 372 D HA -0.026 4.614 4.640 -0.000 0.000 0.243 372 D C -0.882 175.469 176.300 0.086 0.000 1.154 372 D CA -1.238 52.837 54.000 0.125 0.000 0.876 372 D CB 1.410 42.308 40.800 0.164 0.000 1.161 372 D HN -0.010 nan 8.370 nan 0.000 0.478 373 P HA -0.204 nan 4.420 nan 0.000 0.220 373 P C 1.113 178.477 177.300 0.107 0.000 1.144 373 P CA 1.191 64.361 63.100 0.117 0.000 0.800 373 P CB 0.051 31.841 31.700 0.150 0.000 0.772 374 H N 0.941 120.040 119.070 0.050 0.000 2.423 374 H HA 0.028 4.584 4.556 -0.000 0.000 0.297 374 H C 1.706 176.888 175.328 -0.243 0.000 1.075 374 H CA 1.586 57.665 56.048 0.051 0.000 1.342 374 H CB -0.992 28.892 29.762 0.205 0.000 1.395 374 H HN 0.042 nan 8.280 nan 0.000 0.530 375 G N -0.082 108.340 108.800 -0.631 0.000 3.337 375 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.226 375 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.226 375 G C 1.203 175.182 174.900 -1.535 0.000 1.295 375 G CA 0.464 44.575 45.100 -1.648 0.000 1.427 375 G HN 0.539 nan 8.290 nan 0.000 0.535 376 S N -0.380 114.781 115.700 -0.898 0.000 2.469 376 S HA -0.192 4.278 4.470 -0.000 0.000 0.238 376 S C 1.884 176.211 174.600 -0.456 0.000 0.998 376 S CA 1.170 59.089 58.200 -0.469 0.000 0.957 376 S CB -0.558 62.625 63.200 -0.029 0.000 0.764 376 S HN 0.866 nan 8.310 nan 0.000 0.514 377 W N 1.949 123.072 121.300 -0.294 0.000 2.392 377 W HA 0.101 4.761 4.660 -0.000 0.000 0.279 377 W C 1.417 177.658 176.519 -0.464 0.000 1.225 377 W CA -0.002 57.086 57.345 -0.429 0.000 1.233 377 W CB -0.910 28.427 29.460 -0.205 0.000 1.122 377 W HN 0.162 nan 8.180 nan 0.000 0.561 378 I N 2.413 122.502 120.570 -0.802 0.000 2.068 378 I HA -0.310 3.860 4.170 -0.000 0.000 0.238 378 I C 0.124 175.774 176.117 -0.778 0.000 1.046 378 I CA 2.067 62.876 61.300 -0.819 0.000 1.306 378 I CB -2.037 35.173 38.000 -1.318 0.000 1.023 378 I HN -0.098 nan 8.210 nan 0.000 0.399 379 P HA -0.070 nan 4.420 nan 0.000 0.222 379 P C 1.539 178.621 177.300 -0.363 0.000 1.153 379 P CA 1.432 64.224 63.100 -0.514 0.000 0.798 379 P CB -0.166 31.323 31.700 -0.350 0.000 0.796 380 T N 0.117 114.388 114.554 -0.472 0.000 2.569 380 T HA -0.190 4.160 4.350 -0.000 0.000 0.263 380 T C 1.575 175.880 174.700 -0.659 0.000 1.074 380 T CA 1.606 63.256 62.100 -0.750 0.000 1.176 380 T CB -1.296 66.920 68.868 -1.087 0.000 0.863 380 T HN 0.025 nan 8.240 nan 0.000 0.410 381 Y N 1.692 121.745 120.300 -0.413 0.000 2.556 381 Y HA -0.021 4.529 4.550 -0.000 0.000 0.290 381 Y C 2.258 177.938 175.900 -0.368 0.000 1.149 381 Y CA 0.299 58.147 58.100 -0.420 0.000 1.329 381 Y CB -0.414 37.815 38.460 -0.384 0.000 0.975 381 Y HN 0.259 nan 8.280 nan 0.000 0.561 382 E N -0.497 119.590 120.200 -0.189 0.000 2.481 382 E HA 0.003 4.353 4.350 -0.000 0.000 0.198 382 E C -0.034 176.518 176.600 -0.081 0.000 1.027 382 E CA -0.000 56.328 56.400 -0.119 0.000 0.900 382 E CB -0.176 29.447 29.700 -0.128 0.000 0.993 382 E HN 0.247 nan 8.360 nan 0.000 0.482 383 N N 2.034 120.644 118.700 -0.150 0.000 2.767 383 N HA -0.033 4.707 4.740 -0.000 0.000 0.238 383 N C 0.895 176.370 175.510 -0.057 0.000 1.083 383 N CA 0.051 53.044 53.050 -0.094 0.000 0.964 383 N CB 0.626 39.016 38.487 -0.162 0.000 1.252 383 N HN -0.052 nan 8.380 nan 0.000 0.512 384 Q N 1.510 121.339 119.800 0.048 0.000 2.290 384 Q HA -0.257 4.083 4.340 -0.000 0.000 0.211 384 Q C 1.046 177.126 176.000 0.133 0.000 0.991 384 Q CA 1.577 57.453 55.803 0.122 0.000 0.893 384 Q CB 0.204 29.065 28.738 0.204 0.000 0.913 384 Q HN 0.767 nan 8.270 nan 0.000 0.428 385 E N -0.813 119.472 120.200 0.141 0.000 2.072 385 E HA -0.158 4.192 4.350 -0.000 0.000 0.190 385 E C 1.821 178.597 176.600 0.294 0.000 0.982 385 E CA 0.799 57.343 56.400 0.241 0.000 0.803 385 E CB -0.080 29.795 29.700 0.291 0.000 0.755 385 E HN 0.472 nan 8.360 nan 0.000 0.453 386 A N 0.949 123.804 122.820 0.059 0.000 1.877 386 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 386 A C 2.052 179.740 177.584 0.173 0.000 1.186 386 A CA 1.374 53.384 52.037 -0.045 0.000 0.620 386 A CB -0.609 18.053 19.000 -0.562 0.000 0.822 386 A HN 0.241 nan 8.150 nan 0.000 0.443 387 I N 0.269 120.859 120.570 0.034 0.000 2.118 387 I HA -0.268 3.902 4.170 -0.000 0.000 0.241 387 I C 2.381 178.590 176.117 0.153 0.000 1.070 387 I CA 1.789 63.117 61.300 0.046 0.000 1.327 387 I CB -0.464 37.320 38.000 -0.360 0.000 1.034 387 I HN 0.247 nan 8.210 nan 0.000 0.405 388 E N -0.643 119.668 120.200 0.185 0.000 2.153 388 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 388 E C 1.871 178.600 176.600 0.215 0.000 0.988 388 E CA 1.081 57.614 56.400 0.220 0.000 0.811 388 E CB -0.526 29.340 29.700 0.276 0.000 0.746 388 E HN 0.668 nan 8.360 nan 0.000 0.466 389 W N 1.357 122.731 121.300 0.124 0.000 2.354 389 W HA -0.190 4.470 4.660 -0.000 0.000 0.315 389 W C 2.137 178.646 176.519 -0.018 0.000 1.206 389 W CA 1.405 58.829 57.345 0.131 0.000 1.290 389 W CB -0.643 29.013 29.460 0.326 0.000 1.152 389 W HN 0.124 nan 8.180 nan 0.000 0.489 390 L N 0.333 121.466 121.223 -0.149 0.000 2.021 390 L HA -0.245 4.094 4.340 -0.000 0.000 0.215 390 L C 2.316 178.481 176.870 -1.175 0.000 1.074 390 L CA 2.226 56.547 54.840 -0.866 0.000 0.760 390 L CB -1.266 40.303 42.059 -0.817 0.000 0.889 390 L HN 0.038 nan 8.230 nan 0.000 0.433 391 F N -0.001 119.568 119.950 -0.635 0.000 2.407 391 F HA -0.067 4.460 4.527 -0.000 0.000 0.299 391 F C 2.206 177.881 175.800 -0.210 0.000 1.097 391 F CA 0.955 58.695 58.000 -0.432 0.000 1.422 391 F CB -0.524 38.132 39.000 -0.573 0.000 1.067 391 F HN 0.201 nan 8.300 nan 0.000 0.539 392 E N -0.140 119.994 120.200 -0.109 0.000 2.526 392 E HA -0.080 4.270 4.350 -0.000 0.000 0.198 392 E C 0.416 176.920 176.600 -0.161 0.000 1.091 392 E CA 0.083 56.439 56.400 -0.073 0.000 0.880 392 E CB -0.071 29.589 29.700 -0.066 0.000 0.873 392 E HN 0.268 nan 8.360 nan 0.000 0.527 393 Q N -0.362 119.302 119.800 -0.228 0.000 2.204 393 Q HA 0.532 4.872 4.340 -0.000 0.000 0.254 393 Q C -0.258 175.783 176.000 0.069 0.000 0.981 393 Q CA -0.449 55.263 55.803 -0.151 0.000 0.897 393 Q CB 2.144 30.703 28.738 -0.298 0.000 1.273 393 Q HN -0.035 nan 8.270 nan 0.000 0.464 394 S N -0.901 114.820 115.700 0.035 0.000 2.715 394 S HA 0.691 5.160 4.470 -0.000 0.000 0.284 394 S C -1.383 173.221 174.600 0.006 0.000 1.216 394 S CA -0.549 57.668 58.200 0.028 0.000 0.970 394 S CB 1.032 64.249 63.200 0.027 0.000 1.273 394 S HN 0.531 nan 8.310 nan 0.000 0.509 395 R N 0.000 120.496 120.500 -0.007 0.000 2.786 395 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 395 R CA 0.000 56.094 56.100 -0.010 0.000 0.921 395 R CB 0.000 30.286 30.300 -0.023 0.000 0.687 395 R HN 0.000 nan 8.270 nan 0.000 0.535