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 3kcg_1_I DATA FIRST_RESID 3 DATA SEQUENCE SPVDIcTAKP RDIPMNPMcI YRSPEXXXXX XXXXXQKIPE ATNRRVWELS DATA SEQUENCE KANSRFATTF YQHLADSKND NDNIFLSPLS ISTAFAMTKL GAcNDTLQQL DATA SEQUENCE MEVFKFDTIS EKTSDQIHFF FAKLNcRLYR KANKASKLVS ANRLFGDKSL DATA SEQUENCE TFNETYQDIS ELVYGAKLQP LDFKENAEQS RAAINKWVSN KTEGRITDVI DATA SEQUENCE PSEAINELTV LVLVNTIYFK GLWKSKFSPE NTRKELFYKA DGEScSASMM DATA SEQUENCE YQEGKFRYRR VAEGTQVLEL PFKGDDITMV LILPKPEKSL AKVEKELTPE DATA SEQUENCE VLQEWLDELE EMMLVVHMPR FRIEDGFSLK EQLQDMGLVD LFSPEKSKLP DATA SEQUENCE GIVAEGRDDL YVSDAFHKAF LEVNEEGSEA AASTAVVIAG RSLNPNRVTF DATA SEQUENCE KANRPFLVFI REVPLNTIIF MGRVANPcV 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.601 174.600 0.001 0.000 1.055 3 S CA 0.000 58.200 58.200 -0.001 0.000 1.107 3 S CB 0.000 63.200 63.200 -0.001 0.000 0.593 4 P HA 0.339 nan 4.420 nan 0.000 0.232 4 P C -0.531 176.774 177.300 0.008 0.000 1.738 4 P CA -0.070 63.032 63.100 0.005 0.000 0.948 4 P CB -0.851 30.852 31.700 0.005 0.000 1.943 5 V N 1.777 121.696 119.914 0.009 0.000 2.540 5 V HA -0.071 4.050 4.120 0.002 0.000 0.297 5 V C 0.853 176.960 176.094 0.021 0.000 1.024 5 V CA 0.356 62.665 62.300 0.016 0.000 1.105 5 V CB 0.056 31.890 31.823 0.017 0.000 0.938 5 V HN 0.351 nan 8.190 nan 0.000 0.482 6 D N 4.051 124.467 120.400 0.026 0.000 2.428 6 D HA 0.187 4.828 4.640 0.002 0.000 0.221 6 D C 0.765 177.088 176.300 0.039 0.000 1.123 6 D CA -0.470 53.546 54.000 0.027 0.000 0.869 6 D CB 0.897 41.713 40.800 0.027 0.000 1.032 6 D HN 0.386 nan 8.370 nan 0.000 0.506 7 I N 3.427 124.018 120.570 0.034 0.000 2.315 7 I HA -0.282 3.889 4.170 0.002 0.000 0.251 7 I C 1.639 177.760 176.117 0.007 0.000 1.125 7 I CA 1.336 62.660 61.300 0.040 0.000 1.392 7 I CB -0.000 38.002 38.000 0.004 0.000 1.065 7 I HN 0.565 nan 8.210 nan 0.000 0.424 8 c N 0.095 118.697 118.600 0.002 0.000 2.449 8 c HA -0.001 4.570 4.570 0.002 0.000 0.283 8 c C 2.041 176.145 174.090 0.024 0.000 1.453 8 c CA 1.239 57.567 56.329 -0.001 0.000 1.779 8 c CB -2.005 40.520 42.510 0.024 0.000 1.779 8 c HN 0.732 nan 8.230 nan 0.000 0.546 9 T N -3.066 111.515 114.554 0.045 0.000 3.231 9 T HA 0.566 4.917 4.350 0.002 0.000 0.292 9 T C 0.084 174.833 174.700 0.082 0.000 1.001 9 T CA 0.300 62.435 62.100 0.058 0.000 0.920 9 T CB 0.016 68.910 68.868 0.044 0.000 1.140 9 T HN 0.307 nan 8.240 nan 0.000 0.525 10 A N 1.549 124.444 122.820 0.125 0.000 2.269 10 A HA 0.818 5.139 4.320 0.002 0.000 0.319 10 A C -0.166 177.555 177.584 0.230 0.000 1.110 10 A CA -0.755 51.374 52.037 0.154 0.000 0.847 10 A CB 0.862 19.968 19.000 0.177 0.000 1.161 10 A HN 0.245 nan 8.150 nan 0.000 0.497 11 K N 0.318 120.743 120.400 0.042 0.000 2.259 11 K HA 0.395 4.716 4.320 0.002 0.000 0.249 11 K C -2.268 174.025 176.600 -0.513 0.000 0.942 11 K CA -2.078 54.148 56.287 -0.102 0.000 0.816 11 K CB 1.436 33.902 32.500 -0.057 0.000 1.155 11 K HN 0.196 nan 8.250 nan 0.000 0.428 12 P HA -0.123 nan 4.420 nan 0.000 0.217 12 P C 0.789 177.794 177.300 -0.492 0.000 1.151 12 P CA 1.501 63.965 63.100 -1.061 0.000 0.849 12 P CB 0.289 31.532 31.700 -0.761 0.000 0.787 13 R N -0.963 119.362 120.500 -0.292 0.000 2.235 13 R HA -0.062 4.279 4.340 0.002 0.000 0.213 13 R C 1.622 177.842 176.300 -0.134 0.000 1.059 13 R CA 0.838 56.837 56.100 -0.167 0.000 0.997 13 R CB -0.603 29.635 30.300 -0.103 0.000 0.884 13 R HN 0.269 nan 8.270 nan 0.000 0.462 14 D N 0.663 120.975 120.400 -0.146 0.000 2.104 14 D HA -0.137 4.504 4.640 0.002 0.000 0.194 14 D C 0.942 177.195 176.300 -0.078 0.000 0.994 14 D CA 1.727 55.674 54.000 -0.088 0.000 0.830 14 D CB 0.154 40.916 40.800 -0.064 0.000 0.959 14 D HN 0.207 nan 8.370 nan 0.000 0.452 15 I N 0.938 121.443 120.570 -0.108 0.000 2.595 15 I HA 0.336 4.507 4.170 0.002 0.000 0.275 15 I C -2.558 173.508 176.117 -0.086 0.000 1.092 15 I CA -2.224 59.032 61.300 -0.072 0.000 1.145 15 I CB 0.760 38.736 38.000 -0.040 0.000 1.276 15 I HN -0.288 nan 8.210 nan 0.000 0.497 16 P HA 0.223 nan 4.420 nan 0.000 0.258 16 P C 0.314 177.599 177.300 -0.026 0.000 1.172 16 P CA 0.469 63.535 63.100 -0.056 0.000 0.762 16 P CB 0.159 31.836 31.700 -0.038 0.000 0.764 17 M N 0.079 119.677 119.600 -0.003 0.000 3.637 17 M HA 0.344 4.825 4.480 0.002 0.000 0.452 17 M C -0.868 175.489 176.300 0.096 0.000 1.718 17 M CA -0.685 54.648 55.300 0.055 0.000 0.690 17 M CB 0.031 32.712 32.600 0.135 0.000 1.448 17 M HN -0.094 nan 8.290 nan 0.000 0.524 18 N N 3.914 122.647 118.700 0.054 0.000 2.479 18 N HA 0.356 5.097 4.740 0.002 0.000 0.257 18 N C -2.249 173.286 175.510 0.041 0.000 1.232 18 N CA -0.260 52.831 53.050 0.067 0.000 0.920 18 N CB 0.410 38.920 38.487 0.039 0.000 1.105 18 N HN 0.368 nan 8.380 nan 0.000 0.444 19 P HA 0.045 nan 4.420 nan 0.000 0.276 19 P C 0.360 177.677 177.300 0.028 0.000 1.252 19 P CA -0.406 62.705 63.100 0.019 0.000 0.802 19 P CB 0.887 32.609 31.700 0.037 0.000 1.035 20 M N 0.067 119.681 119.600 0.023 0.000 2.175 20 M HA -0.030 4.451 4.480 0.002 0.000 0.264 20 M C -0.101 176.216 176.300 0.028 0.000 1.063 20 M CA 1.727 57.040 55.300 0.022 0.000 1.119 20 M CB 0.019 32.627 32.600 0.013 0.000 1.377 20 M HN 0.272 nan 8.290 nan 0.000 0.415 21 c N 0.535 119.158 118.600 0.038 0.000 2.707 21 c HA 0.655 5.226 4.570 0.002 0.000 0.313 21 c C -0.063 174.072 174.090 0.076 0.000 1.209 21 c CA -1.480 54.881 56.329 0.053 0.000 1.635 21 c CB 1.363 43.907 42.510 0.056 0.000 2.206 21 c HN 0.514 nan 8.230 nan 0.000 0.485 22 I N -0.320 120.301 120.570 0.085 0.000 2.957 22 I HA 0.677 4.848 4.170 0.002 0.000 0.310 22 I C -1.342 174.869 176.117 0.157 0.000 1.063 22 I CA -0.796 60.571 61.300 0.112 0.000 1.033 22 I CB 1.736 39.781 38.000 0.076 0.000 1.230 22 I HN 0.706 nan 8.210 nan 0.000 0.447 23 Y N 2.899 123.230 120.300 0.052 0.000 2.377 23 Y HA 0.647 5.199 4.550 0.003 0.000 0.339 23 Y C -0.806 175.123 175.900 0.048 0.000 1.011 23 Y CA -0.696 57.437 58.100 0.054 0.000 1.093 23 Y CB 1.287 39.792 38.460 0.074 0.000 1.201 23 Y HN 0.494 nan 8.280 nan 0.000 0.455 24 R N 4.018 124.046 120.500 -0.786 0.000 2.500 24 R HA 0.230 4.570 4.340 0.002 0.000 0.299 24 R C -0.877 174.976 176.300 -0.746 0.000 1.038 24 R CA -0.659 55.126 56.100 -0.525 0.000 0.903 24 R CB 1.510 31.656 30.300 -0.257 0.000 1.177 24 R HN 0.883 nan 8.270 nan 0.000 0.455 25 S N 2.210 117.650 115.700 -0.432 0.000 2.568 25 S HA 0.159 4.630 4.470 0.002 0.000 0.282 25 S C -1.292 173.239 174.600 -0.115 0.000 1.338 25 S CA -0.700 57.398 58.200 -0.170 0.000 1.045 25 S CB 0.813 64.056 63.200 0.073 0.000 0.873 25 S HN 0.329 nan 8.310 nan 0.000 0.516 26 P HA 0.099 nan 4.420 nan 0.000 0.216 26 P C 0.675 177.964 177.300 -0.018 0.000 1.150 26 P CA 2.157 65.239 63.100 -0.030 0.000 0.837 26 P CB -0.125 31.578 31.700 0.005 0.000 0.786 39 K N 0.358 120.813 120.400 0.091 0.000 2.118 39 K HA 0.819 5.140 4.320 0.002 0.000 0.264 39 K C 0.355 176.743 176.600 -0.354 0.000 1.000 39 K CA 0.017 56.283 56.287 -0.034 0.000 0.929 39 K CB 0.856 33.324 32.500 -0.053 0.000 1.021 39 K HN 1.556 nan 8.250 nan 0.000 0.463 40 I N 2.701 122.927 120.570 -0.573 0.000 2.752 40 I HA 0.066 4.237 4.170 0.002 0.000 0.289 40 I C -1.917 173.779 176.117 -0.702 0.000 1.197 40 I CA -1.331 59.314 61.300 -1.091 0.000 1.432 40 I CB 1.117 38.749 38.000 -0.612 0.000 1.359 40 I HN 0.565 nan 8.210 nan 0.000 0.571 41 P HA -0.038 nan 4.420 nan 0.000 0.269 41 P C -0.869 176.273 177.300 -0.264 0.000 1.217 41 P CA -0.137 62.714 63.100 -0.416 0.000 0.783 41 P CB 0.411 31.880 31.700 -0.384 0.000 0.898 42 E N 1.859 121.965 120.200 -0.156 0.000 2.392 42 E HA 0.327 4.678 4.350 0.002 0.000 0.264 42 E C 0.550 177.103 176.600 -0.078 0.000 1.024 42 E CA 0.204 56.544 56.400 -0.101 0.000 0.903 42 E CB -0.468 29.194 29.700 -0.063 0.000 0.963 42 E HN 0.666 nan 8.360 nan 0.000 0.432 43 A N 3.238 126.023 122.820 -0.059 0.000 2.596 43 A HA -0.168 4.153 4.320 0.002 0.000 0.300 43 A C 0.440 178.006 177.584 -0.031 0.000 1.495 43 A CA 1.477 53.494 52.037 -0.034 0.000 0.769 43 A CB -2.230 16.760 19.000 -0.016 0.000 1.047 43 A HN 0.672 nan 8.150 nan 0.000 0.436 44 T N 0.910 115.430 114.554 -0.057 0.000 2.861 44 T HA 0.426 4.777 4.350 0.002 0.000 0.287 44 T C -0.007 174.685 174.700 -0.014 0.000 1.003 44 T CA -0.598 61.478 62.100 -0.041 0.000 0.977 44 T CB 1.179 69.987 68.868 -0.100 0.000 0.996 44 T HN 0.544 nan 8.240 nan 0.000 0.448 45 N N 1.970 120.691 118.700 0.034 0.000 2.452 45 N HA 0.048 4.789 4.740 0.002 0.000 0.266 45 N C 1.275 176.823 175.510 0.063 0.000 1.175 45 N CA -0.106 52.976 53.050 0.053 0.000 0.945 45 N CB 0.763 39.308 38.487 0.097 0.000 1.063 45 N HN 0.613 nan 8.380 nan 0.000 0.472 46 R N 3.890 124.425 120.500 0.058 0.000 2.127 46 R HA -0.093 4.248 4.340 0.002 0.000 0.238 46 R C 1.543 177.890 176.300 0.077 0.000 1.134 46 R CA 1.418 57.604 56.100 0.144 0.000 0.975 46 R CB 0.171 30.542 30.300 0.118 0.000 0.865 46 R HN 0.608 nan 8.270 nan 0.000 0.447 47 R N -0.537 119.893 120.500 -0.117 0.000 2.092 47 R HA -0.050 4.291 4.340 0.002 0.000 0.231 47 R C 2.242 178.380 176.300 -0.271 0.000 1.119 47 R CA 1.331 57.215 56.100 -0.361 0.000 0.970 47 R CB -0.173 29.569 30.300 -0.930 0.000 0.864 47 R HN 0.094 nan 8.270 nan 0.000 0.440 48 V N -0.097 119.757 119.914 -0.101 0.000 2.427 48 V HA -0.219 3.902 4.120 0.002 0.000 0.248 48 V C 1.847 177.979 176.094 0.063 0.000 1.051 48 V CA 1.464 63.762 62.300 -0.003 0.000 1.048 48 V CB -0.458 31.412 31.823 0.079 0.000 0.666 48 V HN 0.467 nan 8.190 nan 0.000 0.456 49 W N 1.865 123.116 121.300 -0.082 0.000 2.358 49 W HA -0.204 4.457 4.660 0.001 0.000 0.303 49 W C 2.557 179.042 176.519 -0.057 0.000 1.208 49 W CA 1.947 59.261 57.345 -0.051 0.000 1.274 49 W CB -0.336 29.101 29.460 -0.038 0.000 1.138 49 W HN 0.568 nan 8.180 nan 0.000 0.515 50 E N -0.497 119.605 120.200 -0.163 0.000 2.204 50 E HA -0.231 4.120 4.350 0.002 0.000 0.194 50 E C 2.032 178.498 176.600 -0.223 0.000 0.989 50 E CA 1.348 57.553 56.400 -0.325 0.000 0.824 50 E CB -0.957 28.606 29.700 -0.228 0.000 0.756 50 E HN 0.301 nan 8.360 nan 0.000 0.477 51 L N 1.406 122.513 121.223 -0.193 0.000 2.072 51 L HA -0.074 4.267 4.340 0.002 0.000 0.205 51 L C 2.604 179.411 176.870 -0.105 0.000 1.079 51 L CA 1.750 56.459 54.840 -0.218 0.000 0.752 51 L CB -0.608 41.197 42.059 -0.425 0.000 0.906 51 L HN 0.216 nan 8.230 nan 0.000 0.436 52 S N -0.916 114.744 115.700 -0.067 0.000 2.382 52 S HA -0.226 4.245 4.470 0.002 0.000 0.228 52 S C 2.081 176.683 174.600 0.003 0.000 1.027 52 S CA 1.483 59.698 58.200 0.025 0.000 0.991 52 S CB -0.104 63.151 63.200 0.091 0.000 0.823 52 S HN 0.439 nan 8.310 nan 0.000 0.469 53 K N 0.760 121.084 120.400 -0.128 0.000 2.097 53 K HA 0.068 4.389 4.320 0.002 0.000 0.205 53 K C 2.375 178.949 176.600 -0.044 0.000 1.050 53 K CA 1.114 57.308 56.287 -0.155 0.000 0.938 53 K CB -0.356 31.916 32.500 -0.380 0.000 0.718 53 K HN 0.427 nan 8.250 nan 0.000 0.442 54 A N 1.619 124.440 122.820 0.002 0.000 1.902 54 A HA -0.236 4.085 4.320 0.002 0.000 0.217 54 A C 1.937 179.639 177.584 0.197 0.000 1.181 54 A CA 1.965 54.068 52.037 0.109 0.000 0.623 54 A CB -0.719 18.408 19.000 0.211 0.000 0.818 54 A HN 0.364 nan 8.150 nan 0.000 0.443 55 N N 0.115 118.962 118.700 0.245 0.000 2.104 55 N HA -0.132 4.609 4.740 0.002 0.000 0.190 55 N C 1.762 177.435 175.510 0.271 0.000 1.024 55 N CA 2.025 55.279 53.050 0.339 0.000 0.853 55 N CB -0.268 38.419 38.487 0.333 0.000 1.008 55 N HN 0.314 nan 8.380 nan 0.000 0.424 56 S N -0.098 115.692 115.700 0.151 0.000 2.382 56 S HA -0.020 4.451 4.470 0.002 0.000 0.228 56 S C 1.820 176.460 174.600 0.067 0.000 1.027 56 S CA 0.768 59.020 58.200 0.087 0.000 0.991 56 S CB -0.163 63.053 63.200 0.027 0.000 0.823 56 S HN 0.404 nan 8.310 nan 0.000 0.469 57 R N -0.029 120.515 120.500 0.074 0.000 2.075 57 R HA -0.050 4.291 4.340 0.002 0.000 0.232 57 R C 2.101 178.448 176.300 0.078 0.000 1.126 57 R CA 1.511 57.641 56.100 0.049 0.000 0.963 57 R CB -0.469 29.855 30.300 0.039 0.000 0.858 57 R HN 0.455 nan 8.270 nan 0.000 0.435 58 F N 1.687 121.637 119.950 -0.000 0.000 2.113 58 F HA -0.087 4.440 4.527 0.001 0.000 0.297 58 F C 2.236 178.073 175.800 0.061 0.000 1.103 58 F CA 1.110 59.093 58.000 -0.029 0.000 1.248 58 F CB -0.543 38.431 39.000 -0.042 0.000 0.999 58 F HN -0.029 nan 8.300 nan 0.000 0.475 59 A N -0.019 122.730 122.820 -0.117 0.000 1.892 59 A HA -0.243 4.078 4.320 0.002 0.000 0.218 59 A C 2.231 179.782 177.584 -0.056 0.000 1.188 59 A CA 2.649 54.612 52.037 -0.124 0.000 0.631 59 A CB -1.574 17.478 19.000 0.087 0.000 0.822 59 A HN 0.479 nan 8.150 nan 0.000 0.447 60 T N -0.384 114.156 114.554 -0.023 0.000 2.708 60 T HA -0.123 4.228 4.350 0.002 0.000 0.266 60 T C 2.029 176.735 174.700 0.010 0.000 1.037 60 T CA 1.993 64.100 62.100 0.012 0.000 1.146 60 T CB -0.563 68.295 68.868 -0.016 0.000 0.865 60 T HN 0.594 nan 8.240 nan 0.000 0.435 61 T N 1.621 116.146 114.554 -0.048 0.000 2.737 61 T HA -0.013 4.338 4.350 0.002 0.000 0.265 61 T C 1.565 176.260 174.700 -0.008 0.000 1.038 61 T CA 0.895 62.985 62.100 -0.016 0.000 1.144 61 T CB -0.503 68.351 68.868 -0.024 0.000 0.866 61 T HN 0.328 nan 8.240 nan 0.000 0.434 62 F N 0.856 120.580 119.950 -0.378 0.000 2.134 62 F HA -0.107 4.421 4.527 0.001 0.000 0.299 62 F C 2.141 177.849 175.800 -0.154 0.000 1.097 62 F CA 0.866 58.628 58.000 -0.398 0.000 1.264 62 F CB -0.554 37.904 39.000 -0.902 0.000 1.001 62 F HN 0.179 nan 8.300 nan 0.000 0.479 63 Y N 1.102 121.290 120.300 -0.186 0.000 2.165 63 Y HA -0.300 4.250 4.550 0.001 0.000 0.286 63 Y C 2.472 178.231 175.900 -0.235 0.000 1.155 63 Y CA 2.269 60.262 58.100 -0.179 0.000 1.164 63 Y CB -0.570 37.872 38.460 -0.031 0.000 0.978 63 Y HN 0.206 nan 8.280 nan 0.000 0.513 64 Q N -1.305 118.439 119.800 -0.092 0.000 2.167 64 Q HA -0.206 4.135 4.340 0.002 0.000 0.202 64 Q C 2.017 177.794 176.000 -0.371 0.000 0.970 64 Q CA 1.445 57.132 55.803 -0.194 0.000 0.855 64 Q CB -0.202 28.459 28.738 -0.128 0.000 0.911 64 Q HN 0.642 nan 8.270 nan 0.000 0.438 65 H N -0.357 118.476 119.070 -0.396 0.000 2.395 65 H HA -0.068 4.489 4.556 0.001 0.000 0.299 65 H C 2.085 177.092 175.328 -0.534 0.000 1.070 65 H CA 1.001 56.798 56.048 -0.418 0.000 1.356 65 H CB 0.184 29.690 29.762 -0.426 0.000 1.401 65 H HN 0.175 nan 8.280 nan 0.000 0.524 66 L N 1.099 121.927 121.223 -0.658 0.000 2.027 66 L HA -0.047 4.294 4.340 0.002 0.000 0.206 66 L C 2.598 179.120 176.870 -0.580 0.000 1.074 66 L CA 1.787 56.193 54.840 -0.724 0.000 0.745 66 L CB -0.812 40.697 42.059 -0.916 0.000 0.898 66 L HN 0.123 nan 8.230 nan 0.000 0.433 67 A N -0.698 121.731 122.820 -0.653 0.000 1.908 67 A HA -0.258 4.063 4.320 0.002 0.000 0.218 67 A C 1.949 179.339 177.584 -0.323 0.000 1.181 67 A CA 2.054 53.781 52.037 -0.517 0.000 0.627 67 A CB -0.991 17.687 19.000 -0.537 0.000 0.818 67 A HN 0.545 nan 8.150 nan 0.000 0.445 68 D N -0.179 120.039 120.400 -0.302 0.000 2.178 68 D HA -0.110 4.531 4.640 0.002 0.000 0.201 68 D C 2.294 178.483 176.300 -0.184 0.000 0.980 68 D CA 1.655 55.523 54.000 -0.220 0.000 0.842 68 D CB -0.184 40.478 40.800 -0.229 0.000 0.948 68 D HN 0.595 nan 8.370 nan 0.000 0.472 69 S N -1.148 114.425 115.700 -0.212 0.000 2.562 69 S HA 0.062 4.533 4.470 0.002 0.000 0.221 69 S C 0.818 175.328 174.600 -0.150 0.000 0.975 69 S CA 0.038 58.139 58.200 -0.164 0.000 0.918 69 S CB 0.244 63.341 63.200 -0.172 0.000 0.772 69 S HN 0.018 nan 8.310 nan 0.000 0.531 70 K N 1.040 121.331 120.400 -0.181 0.000 2.280 70 K HA 0.380 4.701 4.320 0.002 0.000 0.234 70 K C -0.737 175.795 176.600 -0.113 0.000 1.028 70 K CA -0.954 55.245 56.287 -0.146 0.000 0.882 70 K CB 0.488 32.875 32.500 -0.189 0.000 1.194 70 K HN 0.040 nan 8.250 nan 0.000 0.458 71 N N 1.317 119.967 118.700 -0.083 0.000 2.438 71 N HA 0.034 4.775 4.740 0.002 0.000 0.282 71 N C -0.313 175.160 175.510 -0.062 0.000 1.037 71 N CA -0.009 53.004 53.050 -0.062 0.000 0.942 71 N CB 1.176 39.638 38.487 -0.041 0.000 1.136 71 N HN 0.462 nan 8.380 nan 0.000 0.481 72 D N 1.788 122.156 120.400 -0.053 0.000 2.311 72 D HA -0.126 4.515 4.640 0.002 0.000 0.212 72 D C 0.555 176.840 176.300 -0.026 0.000 0.972 72 D CA 0.940 54.915 54.000 -0.041 0.000 0.887 72 D CB 0.250 41.033 40.800 -0.028 0.000 0.915 72 D HN 0.542 nan 8.370 nan 0.000 0.497 73 N N 0.836 119.522 118.700 -0.024 0.000 2.422 73 N HA -0.036 4.705 4.740 0.002 0.000 0.181 73 N C -0.057 175.436 175.510 -0.029 0.000 1.080 73 N CA 0.395 53.436 53.050 -0.014 0.000 0.893 73 N CB 0.427 38.910 38.487 -0.007 0.000 0.973 73 N HN 0.197 nan 8.380 nan 0.000 0.456 74 D N 0.733 121.109 120.400 -0.040 0.000 2.229 74 D HA 0.217 4.857 4.640 0.002 0.000 0.249 74 D C 0.279 176.544 176.300 -0.058 0.000 1.027 74 D CA -0.306 53.666 54.000 -0.047 0.000 0.923 74 D CB 0.797 41.574 40.800 -0.038 0.000 1.174 74 D HN -0.095 nan 8.370 nan 0.000 0.443 75 N N 0.469 119.130 118.700 -0.064 0.000 2.424 75 N HA 0.380 5.121 4.740 0.002 0.000 0.257 75 N C -0.206 175.304 175.510 -0.001 0.000 1.250 75 N CA 0.023 53.034 53.050 -0.065 0.000 0.946 75 N CB 1.090 39.522 38.487 -0.091 0.000 1.175 75 N HN 0.341 nan 8.380 nan 0.000 0.477 76 I N 0.480 121.082 120.570 0.054 0.000 2.686 76 I HA 0.437 4.608 4.170 0.002 0.000 0.295 76 I C -1.390 174.918 176.117 0.318 0.000 1.114 76 I CA -0.707 60.670 61.300 0.128 0.000 1.038 76 I CB 2.063 40.104 38.000 0.067 0.000 1.238 76 I HN 0.293 nan 8.210 nan 0.000 0.420 77 F N 7.323 127.392 119.950 0.198 0.000 2.639 77 F HA 0.720 5.249 4.527 0.002 0.000 0.320 77 F C -1.820 174.251 175.800 0.452 0.000 1.128 77 F CA -0.643 57.515 58.000 0.262 0.000 1.037 77 F CB 1.457 40.559 39.000 0.171 0.000 1.288 77 F HN 0.320 nan 8.300 nan 0.000 0.463 78 L N 1.978 123.082 121.223 -0.199 0.000 2.838 78 L HA 0.789 5.130 4.340 0.002 0.000 0.266 78 L C -1.618 175.306 176.870 0.090 0.000 1.040 78 L CA -0.900 54.072 54.840 0.220 0.000 0.906 78 L CB 1.878 44.232 42.059 0.492 0.000 1.501 78 L HN 0.482 nan 8.230 nan 0.000 0.407 79 S N 0.981 116.863 115.700 0.303 0.000 2.601 79 S HA 0.552 5.023 4.470 0.002 0.000 0.312 79 S C -1.783 172.829 174.600 0.021 0.000 1.107 79 S CA -1.420 56.815 58.200 0.059 0.000 1.129 79 S CB 0.989 64.193 63.200 0.006 0.000 0.982 79 S HN 0.651 nan 8.310 nan 0.000 0.469 80 P HA -0.099 nan 4.420 nan 0.000 0.220 80 P C 1.561 178.976 177.300 0.192 0.000 1.148 80 P CA 0.412 63.605 63.100 0.156 0.000 0.803 80 P CB 0.146 31.969 31.700 0.205 0.000 0.782 81 L N 0.415 121.707 121.223 0.114 0.000 2.046 81 L HA -0.090 4.251 4.340 0.002 0.000 0.208 81 L C 2.413 179.328 176.870 0.076 0.000 1.077 81 L CA 1.948 56.869 54.840 0.135 0.000 0.747 81 L CB -1.440 40.668 42.059 0.081 0.000 0.896 81 L HN -0.140 nan 8.230 nan 0.000 0.432 82 S N -0.352 115.385 115.700 0.062 0.000 2.368 82 S HA -0.142 4.329 4.470 0.002 0.000 0.225 82 S C 1.961 176.608 174.600 0.078 0.000 1.030 82 S CA 1.763 60.026 58.200 0.104 0.000 0.999 82 S CB -0.428 62.918 63.200 0.243 0.000 0.844 82 S HN 0.473 nan 8.310 nan 0.000 0.459 83 I N 1.195 121.797 120.570 0.054 0.000 2.202 83 I HA -0.156 4.015 4.170 0.002 0.000 0.242 83 I C 2.450 178.575 176.117 0.014 0.000 1.091 83 I CA 0.917 62.267 61.300 0.085 0.000 1.368 83 I CB -0.446 37.561 38.000 0.012 0.000 1.058 83 I HN 0.202 nan 8.210 nan 0.000 0.410 84 S N 0.259 115.915 115.700 -0.073 0.000 2.370 84 S HA -0.180 4.291 4.470 0.002 0.000 0.226 84 S C 2.060 176.268 174.600 -0.653 0.000 1.033 84 S CA 2.016 60.044 58.200 -0.286 0.000 1.011 84 S CB -0.420 62.843 63.200 0.105 0.000 0.852 84 S HN 0.472 nan 8.310 nan 0.000 0.457 85 T N 2.411 116.526 114.554 -0.732 0.000 2.746 85 T HA -0.057 4.294 4.350 0.002 0.000 0.267 85 T C 2.156 176.508 174.700 -0.580 0.000 1.039 85 T CA 1.239 62.765 62.100 -0.957 0.000 1.142 85 T CB -0.550 68.095 68.868 -0.372 0.000 0.866 85 T HN 0.467 nan 8.240 nan 0.000 0.444 86 A N 0.971 123.598 122.820 -0.321 0.000 1.883 86 A HA -0.023 4.298 4.320 0.002 0.000 0.217 86 A C 1.925 179.152 177.584 -0.596 0.000 1.186 86 A CA 1.400 53.208 52.037 -0.382 0.000 0.624 86 A CB -1.002 17.895 19.000 -0.171 0.000 0.822 86 A HN 0.492 nan 8.150 nan 0.000 0.444 87 F N -0.154 119.476 119.950 -0.533 0.000 2.558 87 F HA 0.107 4.635 4.527 0.001 0.000 0.298 87 F C 2.552 178.061 175.800 -0.486 0.000 1.119 87 F CA 0.574 58.222 58.000 -0.586 0.000 1.451 87 F CB -0.141 38.233 39.000 -1.044 0.000 1.091 87 F HN 0.256 nan 8.300 nan 0.000 0.563 88 A N -0.452 122.142 122.820 -0.376 0.000 2.014 88 A HA -0.120 4.201 4.320 0.002 0.000 0.218 88 A C 2.127 179.570 177.584 -0.234 0.000 1.163 88 A CA 1.052 52.938 52.037 -0.252 0.000 0.652 88 A CB -0.415 18.364 19.000 -0.367 0.000 0.808 88 A HN 0.155 nan 8.150 nan 0.000 0.449 89 M N 0.310 119.678 119.600 -0.387 0.000 2.476 89 M HA -0.060 4.421 4.480 0.002 0.000 0.262 89 M C 2.116 178.310 176.300 -0.177 0.000 1.079 89 M CA 1.868 56.948 55.300 -0.366 0.000 1.104 89 M CB -1.452 30.734 32.600 -0.689 0.000 1.409 89 M HN 0.692 nan 8.290 nan 0.000 0.467 90 T N -2.849 111.575 114.554 -0.216 0.000 3.044 90 T HA 0.007 4.358 4.350 0.002 0.000 0.255 90 T C 1.875 176.529 174.700 -0.077 0.000 1.073 90 T CA 0.399 62.406 62.100 -0.154 0.000 1.125 90 T CB 0.039 68.787 68.868 -0.200 0.000 0.908 90 T HN 0.105 nan 8.240 nan 0.000 0.480 91 K N 1.359 121.726 120.400 -0.054 0.000 2.063 91 K HA -0.074 4.247 4.320 0.002 0.000 0.208 91 K C 2.223 178.824 176.600 0.002 0.000 1.048 91 K CA 1.303 57.592 56.287 0.004 0.000 0.928 91 K CB -0.890 31.634 32.500 0.040 0.000 0.713 91 K HN 0.417 nan 8.250 nan 0.000 0.442 92 L N 0.618 121.827 121.223 -0.022 0.000 2.129 92 L HA -0.109 4.232 4.340 0.002 0.000 0.212 92 L C 1.810 178.687 176.870 0.012 0.000 1.087 92 L CA 2.470 57.279 54.840 -0.052 0.000 0.757 92 L CB -0.805 41.151 42.059 -0.172 0.000 0.896 92 L HN 0.300 nan 8.230 nan 0.000 0.434 93 G N -1.896 106.913 108.800 0.015 0.000 3.324 93 G HA2 0.479 4.440 3.960 0.002 0.000 0.251 93 G HA3 0.479 4.440 3.960 0.002 0.000 0.251 93 G C 0.410 175.276 174.900 -0.057 0.000 1.072 93 G CA 0.287 45.358 45.100 -0.049 0.000 0.787 93 G HN 0.623 nan 8.290 nan 0.000 0.537 94 A N -0.659 122.144 122.820 -0.029 0.000 2.271 94 A HA 0.741 5.062 4.320 0.002 0.000 0.288 94 A C -0.321 177.271 177.584 0.015 0.000 1.094 94 A CA -0.239 51.788 52.037 -0.016 0.000 0.828 94 A CB 0.890 19.883 19.000 -0.011 0.000 1.091 94 A HN 0.349 nan 8.150 nan 0.000 0.493 95 c N -0.363 118.249 118.600 0.020 0.000 3.291 95 c HA 0.658 5.229 4.570 0.002 0.000 0.316 95 c C 0.540 174.660 174.090 0.049 0.000 1.391 95 c CA -0.484 55.870 56.329 0.042 0.000 1.394 95 c CB 1.024 43.551 42.510 0.029 0.000 1.744 95 c HN 1.243 nan 8.230 nan 0.000 0.461 96 N N 0.939 119.681 118.700 0.071 0.000 1.175 96 N HA -0.224 4.516 4.740 0.002 0.000 0.114 96 N C 0.105 175.661 175.510 0.077 0.000 0.804 96 N CA 1.558 54.652 53.050 0.073 0.000 0.858 96 N CB -0.605 37.909 38.487 0.046 0.000 1.032 96 N HN 0.840 nan 8.380 nan 0.000 0.617 97 D N -0.866 119.567 120.400 0.055 0.000 2.182 97 D HA -0.065 4.576 4.640 0.002 0.000 0.201 97 D C 1.643 177.956 176.300 0.021 0.000 0.986 97 D CA 1.833 55.859 54.000 0.044 0.000 0.847 97 D CB -0.587 40.233 40.800 0.034 0.000 0.942 97 D HN 0.467 nan 8.370 nan 0.000 0.467 98 T N 0.702 115.264 114.554 0.015 0.000 2.746 98 T HA -0.136 4.215 4.350 0.002 0.000 0.267 98 T C 1.818 176.513 174.700 -0.008 0.000 1.039 98 T CA 0.638 62.736 62.100 -0.004 0.000 1.142 98 T CB -0.274 68.588 68.868 -0.010 0.000 0.866 98 T HN 0.066 nan 8.240 nan 0.000 0.444 99 L N 1.169 122.396 121.223 0.006 0.000 2.027 99 L HA 0.003 4.344 4.340 0.002 0.000 0.206 99 L C 2.546 179.345 176.870 -0.117 0.000 1.074 99 L CA 1.852 56.687 54.840 -0.007 0.000 0.745 99 L CB -0.961 41.132 42.059 0.057 0.000 0.898 99 L HN 0.231 nan 8.230 nan 0.000 0.433 100 Q N -0.859 118.877 119.800 -0.106 0.000 2.061 100 Q HA -0.296 4.045 4.340 0.002 0.000 0.204 100 Q C 2.241 178.111 176.000 -0.216 0.000 0.984 100 Q CA 2.342 57.981 55.803 -0.273 0.000 0.846 100 Q CB -0.167 28.603 28.738 0.053 0.000 0.902 100 Q HN 0.687 nan 8.270 nan 0.000 0.421 101 Q N 0.008 119.757 119.800 -0.085 0.000 2.084 101 Q HA -0.155 4.186 4.340 0.002 0.000 0.202 101 Q C 2.250 178.219 176.000 -0.053 0.000 0.978 101 Q CA 1.405 57.173 55.803 -0.057 0.000 0.844 101 Q CB -0.077 28.648 28.738 -0.021 0.000 0.898 101 Q HN 0.424 nan 8.270 nan 0.000 0.426 102 L N -0.169 121.044 121.223 -0.017 0.000 2.012 102 L HA -0.225 4.116 4.340 0.002 0.000 0.210 102 L C 2.411 179.326 176.870 0.075 0.000 1.073 102 L CA 0.804 55.702 54.840 0.095 0.000 0.748 102 L CB -0.306 41.816 42.059 0.104 0.000 0.891 102 L HN 0.376 nan 8.230 nan 0.000 0.431 103 M N -0.756 118.812 119.600 -0.054 0.000 2.117 103 M HA -0.188 4.293 4.480 0.002 0.000 0.262 103 M C 2.098 178.340 176.300 -0.097 0.000 1.065 103 M CA 1.704 56.971 55.300 -0.056 0.000 1.114 103 M CB -1.055 31.284 32.600 -0.435 0.000 1.361 103 M HN 0.295 nan 8.290 nan 0.000 0.408 104 E N -0.194 119.925 120.200 -0.134 0.000 2.046 104 E HA -0.093 4.258 4.350 0.002 0.000 0.190 104 E C 2.213 178.738 176.600 -0.124 0.000 0.982 104 E CA 0.983 57.330 56.400 -0.089 0.000 0.800 104 E CB -0.102 29.561 29.700 -0.062 0.000 0.756 104 E HN 0.226 nan 8.360 nan 0.000 0.449 105 V N 0.683 120.494 119.914 -0.171 0.000 2.343 105 V HA -0.207 3.914 4.120 0.002 0.000 0.247 105 V C 1.593 177.403 176.094 -0.473 0.000 1.051 105 V CA 1.564 63.687 62.300 -0.296 0.000 1.036 105 V CB -0.377 31.221 31.823 -0.374 0.000 0.654 105 V HN 0.192 nan 8.190 nan 0.000 0.451 106 F N 0.084 119.726 119.950 -0.514 0.000 2.773 106 F HA 0.232 4.759 4.527 0.000 0.000 0.304 106 F C 1.190 176.541 175.800 -0.749 0.000 1.129 106 F CA -0.132 57.316 58.000 -0.919 0.000 1.378 106 F CB -0.039 37.944 39.000 -1.696 0.000 1.095 106 F HN 0.004 nan 8.300 nan 0.000 0.565 107 K N -1.001 119.239 120.400 -0.266 0.000 3.129 107 K HA -0.236 4.085 4.320 0.002 0.000 0.273 107 K C 0.345 176.981 176.600 0.059 0.000 1.123 107 K CA 0.511 56.756 56.287 -0.069 0.000 0.800 107 K CB -2.704 29.804 32.500 0.013 0.000 1.238 107 K HN 0.285 nan 8.250 nan 0.000 0.492 108 F N 1.076 121.081 119.950 0.091 0.000 2.664 108 F HA -0.014 4.513 4.527 -0.000 0.000 0.296 108 F C 2.103 177.944 175.800 0.067 0.000 1.125 108 F CA 0.714 58.759 58.000 0.075 0.000 1.444 108 F CB -0.299 38.753 39.000 0.088 0.000 1.114 108 F HN 0.163 nan 8.300 nan 0.000 0.576 109 D N -0.182 120.353 120.400 0.225 0.000 2.351 109 D HA -0.158 4.483 4.640 0.002 0.000 0.216 109 D C 1.502 177.914 176.300 0.186 0.000 0.968 109 D CA 1.591 55.727 54.000 0.226 0.000 0.899 109 D CB -1.032 39.877 40.800 0.182 0.000 0.907 109 D HN 0.387 nan 8.370 nan 0.000 0.514 110 T N -1.519 113.113 114.554 0.130 0.000 3.044 110 T HA 0.161 4.512 4.350 0.002 0.000 0.250 110 T C 1.460 176.189 174.700 0.048 0.000 1.081 110 T CA -0.452 61.693 62.100 0.075 0.000 1.040 110 T CB -0.413 68.478 68.868 0.038 0.000 0.962 110 T HN 0.393 nan 8.240 nan 0.000 0.506 111 I N 1.414 122.022 120.570 0.063 0.000 3.138 111 I HA 0.509 4.679 4.170 0.002 0.000 0.288 111 I C 0.559 176.683 176.117 0.012 0.000 1.148 111 I CA -1.093 60.213 61.300 0.011 0.000 1.315 111 I CB 0.537 38.532 38.000 -0.008 0.000 1.426 111 I HN 0.144 nan 8.210 nan 0.000 0.615 112 S N 1.718 117.402 115.700 -0.026 0.000 2.584 112 S HA 0.121 4.592 4.470 0.002 0.000 0.270 112 S C 0.729 175.330 174.600 0.002 0.000 1.346 112 S CA -0.315 57.874 58.200 -0.018 0.000 1.018 112 S CB 1.158 64.333 63.200 -0.042 0.000 0.899 112 S HN 0.792 nan 8.310 nan 0.000 0.542 113 E N 1.050 121.257 120.200 0.012 0.000 2.085 113 E HA -0.231 4.120 4.350 0.002 0.000 0.194 113 E C 1.949 178.572 176.600 0.039 0.000 0.994 113 E CA 1.514 57.931 56.400 0.028 0.000 0.801 113 E CB -0.180 29.530 29.700 0.017 0.000 0.743 113 E HN 0.808 nan 8.360 nan 0.000 0.453 114 K N 0.532 120.949 120.400 0.028 0.000 2.097 114 K HA -0.108 4.213 4.320 0.002 0.000 0.205 114 K C 2.039 178.700 176.600 0.101 0.000 1.050 114 K CA 1.588 57.912 56.287 0.062 0.000 0.938 114 K CB 0.040 32.574 32.500 0.056 0.000 0.718 114 K HN -0.009 nan 8.250 nan 0.000 0.442 115 T N 0.079 114.627 114.554 -0.010 0.000 2.821 115 T HA -0.124 4.227 4.350 0.002 0.000 0.267 115 T C 1.909 176.643 174.700 0.056 0.000 1.046 115 T CA 1.466 63.528 62.100 -0.064 0.000 1.139 115 T CB -0.238 68.472 68.868 -0.263 0.000 0.871 115 T HN 0.287 nan 8.240 nan 0.000 0.454 116 S N 1.112 116.838 115.700 0.043 0.000 2.355 116 S HA -0.159 4.312 4.470 0.002 0.000 0.222 116 S C 1.723 176.389 174.600 0.109 0.000 1.031 116 S CA 1.367 59.609 58.200 0.069 0.000 0.993 116 S CB -0.533 62.735 63.200 0.113 0.000 0.859 116 S HN 0.369 nan 8.310 nan 0.000 0.453 117 D N 0.829 121.301 120.400 0.119 0.000 2.218 117 D HA -0.014 4.627 4.640 0.002 0.000 0.204 117 D C 1.257 177.657 176.300 0.167 0.000 0.976 117 D CA 0.856 54.936 54.000 0.133 0.000 0.853 117 D CB -0.137 40.724 40.800 0.101 0.000 0.939 117 D HN 0.426 nan 8.370 nan 0.000 0.481 118 Q N -0.033 119.855 119.800 0.148 0.000 2.186 118 Q HA 0.225 4.566 4.340 0.002 0.000 0.241 118 Q C 1.654 177.647 176.000 -0.011 0.000 0.849 118 Q CA -0.286 55.517 55.803 0.001 0.000 1.053 118 Q CB 0.787 29.530 28.738 0.008 0.000 1.146 118 Q HN 0.357 nan 8.270 nan 0.000 0.475 119 I N 0.962 121.593 120.570 0.101 0.000 2.248 119 I HA -0.371 3.800 4.170 0.002 0.000 0.248 119 I C 2.153 178.322 176.117 0.085 0.000 1.107 119 I CA 1.744 63.078 61.300 0.055 0.000 1.373 119 I CB 0.220 38.168 38.000 -0.087 0.000 1.055 119 I HN 0.405 nan 8.210 nan 0.000 0.418 120 H N -1.460 117.664 119.070 0.091 0.000 2.423 120 H HA -0.223 4.334 4.556 0.001 0.000 0.297 120 H C 2.025 177.394 175.328 0.069 0.000 1.075 120 H CA 1.697 57.788 56.048 0.072 0.000 1.342 120 H CB -0.891 28.856 29.762 -0.025 0.000 1.395 120 H HN 0.433 nan 8.280 nan 0.000 0.530 121 F N 1.135 120.682 119.950 -0.673 0.000 2.128 121 F HA -0.007 4.521 4.527 0.001 0.000 0.295 121 F C 1.394 176.930 175.800 -0.440 0.000 1.100 121 F CA 0.731 58.395 58.000 -0.559 0.000 1.260 121 F CB -0.361 38.160 39.000 -0.797 0.000 1.009 121 F HN 0.061 nan 8.300 nan 0.000 0.476 122 F N -0.773 119.042 119.950 -0.224 0.000 2.365 122 F HA -0.078 4.452 4.527 0.004 0.000 0.300 122 F C 2.007 177.628 175.800 -0.298 0.000 1.090 122 F CA 0.881 58.701 58.000 -0.300 0.000 1.408 122 F CB -1.088 37.802 39.000 -0.183 0.000 1.060 122 F HN -0.037 nan 8.300 nan 0.000 0.534 123 F N 0.083 119.989 119.950 -0.074 0.000 2.186 123 F HA -0.095 4.433 4.527 0.002 0.000 0.299 123 F C 2.437 178.182 175.800 -0.092 0.000 1.090 123 F CA 0.947 58.915 58.000 -0.053 0.000 1.307 123 F CB -0.997 37.972 39.000 -0.052 0.000 1.019 123 F HN -0.064 nan 8.300 nan 0.000 0.489 124 A N -0.422 122.391 122.820 -0.011 0.000 1.902 124 A HA -0.235 4.086 4.320 0.002 0.000 0.217 124 A C 2.266 179.745 177.584 -0.175 0.000 1.181 124 A CA 1.837 53.812 52.037 -0.103 0.000 0.623 124 A CB -0.712 18.162 19.000 -0.210 0.000 0.818 124 A HN 0.332 nan 8.150 nan 0.000 0.443 125 K N -0.818 119.374 120.400 -0.347 0.000 2.057 125 K HA -0.141 4.180 4.320 0.002 0.000 0.207 125 K C 1.914 178.482 176.600 -0.054 0.000 1.049 125 K CA 1.524 57.660 56.287 -0.251 0.000 0.931 125 K CB -0.271 32.048 32.500 -0.302 0.000 0.714 125 K HN 0.352 nan 8.250 nan 0.000 0.440 126 L N 1.773 122.991 121.223 -0.008 0.000 2.027 126 L HA -0.141 4.200 4.340 0.002 0.000 0.206 126 L C 1.558 178.482 176.870 0.090 0.000 1.074 126 L CA 1.788 56.660 54.840 0.054 0.000 0.745 126 L CB -0.700 41.387 42.059 0.048 0.000 0.898 126 L HN 0.213 nan 8.230 nan 0.000 0.433 127 N N -0.889 117.874 118.700 0.104 0.000 2.244 127 N HA -0.167 4.574 4.740 0.002 0.000 0.183 127 N C 1.906 177.486 175.510 0.117 0.000 1.016 127 N CA 1.566 54.685 53.050 0.115 0.000 0.866 127 N CB -0.662 37.885 38.487 0.100 0.000 0.980 127 N HN 0.440 nan 8.380 nan 0.000 0.430 128 c N 0.841 119.484 118.600 0.072 0.000 2.432 128 c HA -0.060 4.511 4.570 0.002 0.000 0.277 128 c C 2.837 177.003 174.090 0.126 0.000 1.249 128 c CA 0.411 56.796 56.329 0.094 0.000 1.725 128 c CB -0.861 41.666 42.510 0.028 0.000 2.028 128 c HN 0.497 nan 8.230 nan 0.000 0.477 129 R N 0.703 121.257 120.500 0.090 0.000 2.083 129 R HA -0.134 4.207 4.340 0.002 0.000 0.237 129 R C 2.048 178.412 176.300 0.107 0.000 1.137 129 R CA 1.729 57.881 56.100 0.087 0.000 0.951 129 R CB -0.421 29.924 30.300 0.075 0.000 0.851 129 R HN 0.498 nan 8.270 nan 0.000 0.434 130 L N -0.410 120.891 121.223 0.130 0.000 2.093 130 L HA -0.161 4.180 4.340 0.002 0.000 0.208 130 L C 2.498 179.475 176.870 0.178 0.000 1.085 130 L CA 1.083 56.010 54.840 0.145 0.000 0.755 130 L CB -0.637 41.508 42.059 0.142 0.000 0.904 130 L HN 0.263 nan 8.230 nan 0.000 0.435 131 Y N 0.775 121.120 120.300 0.076 0.000 2.200 131 Y HA -0.273 4.278 4.550 0.001 0.000 0.290 131 Y C 3.065 179.006 175.900 0.069 0.000 1.137 131 Y CA 1.769 59.916 58.100 0.078 0.000 1.163 131 Y CB -0.508 37.986 38.460 0.057 0.000 0.988 131 Y HN -0.081 nan 8.280 nan 0.000 0.518 132 R N 0.870 121.365 120.500 -0.008 0.000 2.083 132 R HA -0.159 4.182 4.340 0.002 0.000 0.237 132 R C 2.224 178.465 176.300 -0.098 0.000 1.137 132 R CA 2.254 58.300 56.100 -0.090 0.000 0.951 132 R CB -0.737 29.573 30.300 0.016 0.000 0.851 132 R HN 0.605 nan 8.270 nan 0.000 0.434 133 K N -0.396 119.996 120.400 -0.013 0.000 2.057 133 K HA 0.092 4.413 4.320 0.002 0.000 0.206 133 K C 2.480 179.090 176.600 0.015 0.000 1.050 133 K CA 1.319 57.618 56.287 0.020 0.000 0.935 133 K CB -0.366 32.177 32.500 0.073 0.000 0.715 133 K HN 0.417 nan 8.250 nan 0.000 0.439 134 A N 1.826 124.661 122.820 0.024 0.000 1.930 134 A HA -0.197 4.124 4.320 0.002 0.000 0.217 134 A C 1.883 179.420 177.584 -0.079 0.000 1.175 134 A CA 1.733 53.808 52.037 0.064 0.000 0.627 134 A CB -0.628 18.492 19.000 0.201 0.000 0.815 134 A HN 0.289 nan 8.150 nan 0.000 0.443 135 N N -0.477 118.062 118.700 -0.268 0.000 2.443 135 N HA -0.110 4.630 4.740 0.002 0.000 0.184 135 N C 1.347 176.747 175.510 -0.183 0.000 1.037 135 N CA 1.408 54.256 53.050 -0.337 0.000 0.896 135 N CB -0.077 38.026 38.487 -0.640 0.000 0.959 135 N HN 0.303 nan 8.380 nan 0.000 0.442 136 K N -1.548 118.781 120.400 -0.119 0.000 2.353 136 K HA 0.416 4.737 4.320 0.002 0.000 0.195 136 K C 1.083 177.661 176.600 -0.036 0.000 1.031 136 K CA 0.577 56.825 56.287 -0.064 0.000 1.079 136 K CB 0.818 33.297 32.500 -0.034 0.000 0.857 136 K HN 0.375 nan 8.250 nan 0.000 0.535 137 A N 0.649 123.444 122.820 -0.042 0.000 2.508 137 A HA 0.454 4.775 4.320 0.002 0.000 0.257 137 A C 0.542 178.001 177.584 -0.208 0.000 1.226 137 A CA 0.473 52.498 52.037 -0.020 0.000 0.947 137 A CB 0.239 19.306 19.000 0.112 0.000 1.079 137 A HN 0.374 nan 8.150 nan 0.000 0.531 138 S N -1.408 114.125 115.700 -0.278 0.000 2.660 138 S HA 0.484 4.955 4.470 0.002 0.000 0.264 138 S C -1.726 172.654 174.600 -0.366 0.000 1.131 138 S CA -0.803 57.087 58.200 -0.517 0.000 0.846 138 S CB 0.806 63.376 63.200 -1.051 0.000 1.151 138 S HN -0.047 nan 8.310 nan 0.000 0.486 139 K N 1.257 121.402 120.400 -0.426 0.000 2.334 139 K HA 0.583 4.904 4.320 0.002 0.000 0.265 139 K C -1.622 174.898 176.600 -0.134 0.000 1.039 139 K CA -0.625 55.553 56.287 -0.181 0.000 0.920 139 K CB 0.334 32.787 32.500 -0.079 0.000 1.160 139 K HN 0.736 nan 8.250 nan 0.000 0.451 140 L N 5.172 126.419 121.223 0.040 0.000 2.404 140 L HA 0.487 4.828 4.340 0.002 0.000 0.272 140 L C -0.923 176.125 176.870 0.297 0.000 0.980 140 L CA -0.843 54.134 54.840 0.228 0.000 0.836 140 L CB 1.603 43.875 42.059 0.355 0.000 1.238 140 L HN 0.328 nan 8.230 nan 0.000 0.408 141 V N 1.459 121.548 119.914 0.291 0.000 2.823 141 V HA 0.955 5.076 4.120 0.002 0.000 0.312 141 V C -0.422 175.767 176.094 0.159 0.000 1.072 141 V CA -0.246 62.154 62.300 0.166 0.000 0.937 141 V CB 1.730 33.584 31.823 0.052 0.000 1.013 141 V HN 0.814 nan 8.190 nan 0.000 0.430 142 S N 1.573 117.303 115.700 0.050 0.000 2.607 142 S HA 0.970 5.441 4.470 0.002 0.000 0.273 142 S C -0.585 173.979 174.600 -0.060 0.000 1.148 142 S CA -0.328 57.896 58.200 0.041 0.000 0.833 142 S CB 1.820 65.058 63.200 0.062 0.000 1.130 142 S HN 2.466 nan 8.310 nan 0.000 0.470 143 A N 1.991 124.795 122.820 -0.026 0.000 2.530 143 A HA 0.724 5.045 4.320 0.002 0.000 0.279 143 A C -1.284 176.410 177.584 0.183 0.000 1.109 143 A CA -0.773 51.237 52.037 -0.045 0.000 0.763 143 A CB 0.543 19.424 19.000 -0.199 0.000 1.257 143 A HN 0.699 nan 8.150 nan 0.000 0.424 144 N N 1.832 120.635 118.700 0.171 0.000 2.258 144 N HA 0.733 5.474 4.740 0.002 0.000 0.299 144 N C -0.622 174.900 175.510 0.020 0.000 1.047 144 N CA -0.441 52.652 53.050 0.073 0.000 0.814 144 N CB 2.460 40.788 38.487 -0.265 0.000 1.413 144 N HN 0.792 nan 8.380 nan 0.000 0.478 145 R N 0.986 121.519 120.500 0.056 0.000 2.687 145 R HA 0.368 4.709 4.340 0.002 0.000 0.265 145 R C -1.851 174.281 176.300 -0.281 0.000 1.048 145 R CA -0.629 55.313 56.100 -0.263 0.000 0.884 145 R CB 1.090 30.822 30.300 -0.946 0.000 1.258 145 R HN 0.324 nan 8.270 nan 0.000 0.469 146 L N 2.757 123.732 121.223 -0.413 0.000 2.322 146 L HA 0.590 4.931 4.340 0.002 0.000 0.279 146 L C -1.046 175.456 176.870 -0.613 0.000 1.036 146 L CA 0.060 54.715 54.840 -0.309 0.000 0.807 146 L CB 1.285 43.215 42.059 -0.215 0.000 1.226 146 L HN 0.438 nan 8.230 nan 0.000 0.433 147 F N 0.723 120.636 119.950 -0.061 0.000 2.529 147 F HA 0.736 5.265 4.527 0.002 0.000 0.320 147 F C 0.592 176.457 175.800 0.109 0.000 1.118 147 F CA -0.664 57.321 58.000 -0.025 0.000 0.915 147 F CB 2.162 41.231 39.000 0.116 0.000 1.161 147 F HN 0.448 nan 8.300 nan 0.000 0.445 148 G N 1.198 110.089 108.800 0.152 0.000 2.533 148 G HA2 0.409 4.370 3.960 0.002 0.000 0.304 148 G HA3 0.409 4.370 3.960 0.002 0.000 0.304 148 G C -1.886 173.234 174.900 0.366 0.000 1.263 148 G CA -0.772 44.522 45.100 0.324 0.000 0.964 148 G HN 0.563 nan 8.290 nan 0.000 0.479 149 D N -0.110 120.568 120.400 0.462 0.000 2.424 149 D HA 0.093 4.734 4.640 0.002 0.000 0.244 149 D C 1.538 177.945 176.300 0.179 0.000 1.134 149 D CA 0.056 54.206 54.000 0.251 0.000 0.881 149 D CB 1.001 41.983 40.800 0.304 0.000 1.191 149 D HN 0.321 nan 8.370 nan 0.000 0.445 150 K N 1.251 121.681 120.400 0.050 0.000 2.113 150 K HA -0.202 4.119 4.320 0.002 0.000 0.208 150 K C 1.944 178.544 176.600 -0.000 0.000 1.047 150 K CA 1.472 57.786 56.287 0.046 0.000 0.928 150 K CB -0.063 32.428 32.500 -0.015 0.000 0.716 150 K HN 0.593 nan 8.250 nan 0.000 0.446 151 S N 0.403 116.097 115.700 -0.010 0.000 2.440 151 S HA -0.113 4.358 4.470 0.002 0.000 0.238 151 S C 0.853 175.384 174.600 -0.115 0.000 1.010 151 S CA 0.562 58.737 58.200 -0.041 0.000 0.972 151 S CB -0.438 62.756 63.200 -0.011 0.000 0.774 151 S HN 0.127 nan 8.310 nan 0.000 0.501 152 L N 1.885 122.982 121.223 -0.210 0.000 2.379 152 L HA 0.439 4.780 4.340 0.002 0.000 0.269 152 L C 0.519 176.996 176.870 -0.655 0.000 1.084 152 L CA -0.522 54.053 54.840 -0.441 0.000 0.802 152 L CB 1.291 42.990 42.059 -0.600 0.000 1.175 152 L HN 0.185 nan 8.230 nan 0.000 0.448 153 T N -0.792 113.429 114.554 -0.556 0.000 2.756 153 T HA 0.519 4.870 4.350 0.002 0.000 0.290 153 T C -0.488 173.919 174.700 -0.489 0.000 0.985 153 T CA -0.523 61.330 62.100 -0.413 0.000 0.955 153 T CB 0.028 68.783 68.868 -0.188 0.000 0.930 153 T HN 0.132 nan 8.240 nan 0.000 0.451 154 F N 3.079 123.008 119.950 -0.035 0.000 2.384 154 F HA 0.361 4.889 4.527 0.001 0.000 0.338 154 F C 1.252 177.040 175.800 -0.020 0.000 1.103 154 F CA -1.235 56.739 58.000 -0.044 0.000 1.157 154 F CB 0.611 39.589 39.000 -0.036 0.000 1.167 154 F HN 0.563 nan 8.300 nan 0.000 0.529 155 N N 2.900 121.690 118.700 0.150 0.000 2.434 155 N HA -0.091 4.650 4.740 0.002 0.000 0.268 155 N C 0.864 176.467 175.510 0.156 0.000 1.256 155 N CA 0.241 53.355 53.050 0.108 0.000 0.914 155 N CB 0.539 39.076 38.487 0.083 0.000 1.088 155 N HN 0.545 nan 8.380 nan 0.000 0.478 156 E N 2.544 122.805 120.200 0.102 0.000 2.268 156 E HA -0.088 4.263 4.350 0.002 0.000 0.195 156 E C 1.089 177.727 176.600 0.064 0.000 0.995 156 E CA 0.990 57.440 56.400 0.083 0.000 0.836 156 E CB -0.091 29.639 29.700 0.050 0.000 0.763 156 E HN 0.639 nan 8.360 nan 0.000 0.491 157 T N 0.400 114.994 114.554 0.066 0.000 2.857 157 T HA -0.138 4.213 4.350 0.002 0.000 0.266 157 T C 1.659 176.381 174.700 0.035 0.000 1.048 157 T CA 0.913 63.036 62.100 0.038 0.000 1.139 157 T CB -0.338 68.551 68.868 0.035 0.000 0.874 157 T HN 0.267 nan 8.240 nan 0.000 0.455 158 Y N 1.972 122.250 120.300 -0.037 0.000 2.200 158 Y HA -0.151 4.400 4.550 0.001 0.000 0.290 158 Y C 2.585 178.443 175.900 -0.070 0.000 1.137 158 Y CA 1.245 59.304 58.100 -0.067 0.000 1.163 158 Y CB -0.224 38.202 38.460 -0.058 0.000 0.988 158 Y HN 0.047 nan 8.280 nan 0.000 0.518 159 Q N 0.365 120.200 119.800 0.058 0.000 2.084 159 Q HA -0.192 4.149 4.340 0.002 0.000 0.202 159 Q C 1.757 177.693 176.000 -0.107 0.000 0.978 159 Q CA 1.766 57.550 55.803 -0.033 0.000 0.844 159 Q CB -0.419 28.341 28.738 0.038 0.000 0.898 159 Q HN 0.612 nan 8.270 nan 0.000 0.426 160 D N 0.383 120.741 120.400 -0.071 0.000 2.117 160 D HA -0.070 4.571 4.640 0.002 0.000 0.198 160 D C 2.101 178.346 176.300 -0.092 0.000 0.982 160 D CA 0.687 54.649 54.000 -0.063 0.000 0.828 160 D CB -0.153 40.627 40.800 -0.033 0.000 0.967 160 D HN 0.249 nan 8.370 nan 0.000 0.464 161 I N 0.926 121.413 120.570 -0.139 0.000 2.226 161 I HA -0.240 3.931 4.170 0.002 0.000 0.245 161 I C 2.395 178.404 176.117 -0.180 0.000 1.100 161 I CA 0.772 61.987 61.300 -0.140 0.000 1.374 161 I CB -0.181 37.697 38.000 -0.203 0.000 1.057 161 I HN -0.115 nan 8.210 nan 0.000 0.413 162 S N 0.187 115.680 115.700 -0.346 0.000 2.359 162 S HA -0.270 4.201 4.470 0.002 0.000 0.224 162 S C 1.946 176.484 174.600 -0.103 0.000 1.035 162 S CA 1.693 59.714 58.200 -0.300 0.000 1.018 162 S CB -0.346 62.584 63.200 -0.450 0.000 0.876 162 S HN 0.481 nan 8.310 nan 0.000 0.448 163 E N 0.787 120.925 120.200 -0.102 0.000 2.085 163 E HA -0.155 4.196 4.350 0.002 0.000 0.194 163 E C 1.996 178.579 176.600 -0.028 0.000 0.994 163 E CA 0.951 57.317 56.400 -0.057 0.000 0.801 163 E CB -0.137 29.531 29.700 -0.054 0.000 0.743 163 E HN 0.421 nan 8.360 nan 0.000 0.453 164 L N 0.121 121.330 121.223 -0.022 0.000 2.007 164 L HA -0.119 4.222 4.340 0.002 0.000 0.205 164 L C 2.636 179.519 176.870 0.021 0.000 1.073 164 L CA 1.294 56.137 54.840 0.004 0.000 0.744 164 L CB -0.200 41.870 42.059 0.018 0.000 0.898 164 L HN 0.258 nan 8.230 nan 0.000 0.435 165 V N -4.981 114.959 119.914 0.043 0.000 3.235 165 V HA -0.148 3.973 4.120 0.002 0.000 0.259 165 V C 1.656 177.822 176.094 0.120 0.000 1.133 165 V CA 0.826 63.164 62.300 0.064 0.000 1.128 165 V CB -0.533 31.356 31.823 0.110 0.000 0.757 165 V HN 0.383 nan 8.190 nan 0.000 0.469 166 Y N 1.514 121.763 120.300 -0.085 0.000 2.445 166 Y HA 0.585 5.136 4.550 0.002 0.000 0.247 166 Y C 1.837 177.693 175.900 -0.073 0.000 1.129 166 Y CA -0.206 57.838 58.100 -0.093 0.000 1.251 166 Y CB 0.924 39.302 38.460 -0.136 0.000 1.176 166 Y HN 0.405 nan 8.280 nan 0.000 0.522 167 G N 0.399 109.176 108.800 -0.038 0.000 2.217 167 G HA2 -0.013 3.948 3.960 0.002 0.000 0.246 167 G HA3 -0.013 3.948 3.960 0.002 0.000 0.246 167 G C 0.170 175.040 174.900 -0.050 0.000 0.990 167 G CA 0.040 45.094 45.100 -0.077 0.000 0.627 167 G HN 1.033 nan 8.290 nan 0.000 0.522 168 A N -0.737 122.050 122.820 -0.056 0.000 2.594 168 A HA 0.710 5.031 4.320 0.002 0.000 0.296 168 A C -0.316 177.199 177.584 -0.116 0.000 1.061 168 A CA -0.180 51.810 52.037 -0.079 0.000 0.689 168 A CB 0.952 19.890 19.000 -0.102 0.000 1.280 168 A HN 0.388 nan 8.150 nan 0.000 0.406 169 K N 0.598 120.910 120.400 -0.147 0.000 2.138 169 K HA 0.417 4.738 4.320 0.002 0.000 0.251 169 K C 0.036 176.477 176.600 -0.265 0.000 1.015 169 K CA -0.445 55.741 56.287 -0.168 0.000 0.917 169 K CB 0.964 33.385 32.500 -0.132 0.000 1.021 169 K HN 0.651 nan 8.250 nan 0.000 0.485 170 L N 1.886 122.950 121.223 -0.265 0.000 2.499 170 L HA -0.026 4.315 4.340 0.002 0.000 0.273 170 L C -0.226 176.351 176.870 -0.488 0.000 1.195 170 L CA -0.118 54.470 54.840 -0.420 0.000 0.882 170 L CB 0.574 42.354 42.059 -0.465 0.000 1.133 170 L HN 0.508 nan 8.230 nan 0.000 0.483 171 Q N 7.242 126.693 119.800 -0.582 0.000 2.331 171 Q HA 0.451 4.792 4.340 0.002 0.000 0.257 171 Q C -2.502 173.366 176.000 -0.220 0.000 0.957 171 Q CA -1.971 53.592 55.803 -0.399 0.000 0.923 171 Q CB 1.456 29.920 28.738 -0.458 0.000 1.212 171 Q HN 0.344 nan 8.270 nan 0.000 0.443 172 P HA 0.211 nan 4.420 nan 0.000 0.276 172 P C -1.079 176.163 177.300 -0.096 0.000 1.235 172 P CA 0.057 63.143 63.100 -0.024 0.000 0.772 172 P CB 0.693 32.457 31.700 0.107 0.000 0.871 173 L N 2.193 123.270 121.223 -0.244 0.000 2.409 173 L HA 0.390 4.731 4.340 0.002 0.000 0.262 173 L C -0.006 176.544 176.870 -0.533 0.000 0.992 173 L CA -0.845 53.726 54.840 -0.448 0.000 0.817 173 L CB 2.362 43.979 42.059 -0.735 0.000 1.350 173 L HN 0.188 nan 8.230 nan 0.000 0.411 174 D N 1.040 121.234 120.400 -0.343 0.000 2.558 174 D HA 0.153 4.794 4.640 0.002 0.000 0.221 174 D C 0.625 176.846 176.300 -0.132 0.000 1.143 174 D CA -0.025 53.864 54.000 -0.186 0.000 1.010 174 D CB 0.248 40.997 40.800 -0.084 0.000 1.068 174 D HN 0.211 nan 8.370 nan 0.000 0.511 175 F N 1.563 121.529 119.950 0.026 0.000 2.206 175 F HA 0.014 4.542 4.527 0.001 0.000 0.298 175 F C 2.228 178.040 175.800 0.021 0.000 1.090 175 F CA 0.719 58.730 58.000 0.019 0.000 1.323 175 F CB -0.247 38.769 39.000 0.028 0.000 1.028 175 F HN 0.241 nan 8.300 nan 0.000 0.492 176 K N -0.153 120.372 120.400 0.208 0.000 2.063 176 K HA -0.159 4.162 4.320 0.002 0.000 0.208 176 K C 1.469 178.120 176.600 0.085 0.000 1.048 176 K CA 1.584 57.947 56.287 0.127 0.000 0.928 176 K CB -0.116 32.441 32.500 0.094 0.000 0.713 176 K HN 0.196 nan 8.250 nan 0.000 0.442 177 E N -0.620 119.618 120.200 0.063 0.000 2.490 177 E HA 0.094 4.445 4.350 0.002 0.000 0.209 177 E C 0.041 176.662 176.600 0.035 0.000 0.971 177 E CA 0.200 56.624 56.400 0.041 0.000 0.988 177 E CB 0.702 30.417 29.700 0.024 0.000 1.029 177 E HN 0.203 nan 8.360 nan 0.000 0.496 178 N N 0.416 119.140 118.700 0.040 0.000 2.646 178 N HA 0.220 4.961 4.740 0.002 0.000 0.296 178 N C 0.592 176.136 175.510 0.056 0.000 1.886 178 N CA 0.221 53.288 53.050 0.028 0.000 0.855 178 N CB 1.353 39.838 38.487 -0.003 0.000 1.336 178 N HN -0.032 nan 8.380 nan 0.000 0.496 179 A N 0.743 123.623 122.820 0.101 0.000 1.873 179 A HA -0.198 4.123 4.320 0.002 0.000 0.218 179 A C 2.062 179.705 177.584 0.098 0.000 1.193 179 A CA 1.353 53.483 52.037 0.155 0.000 0.629 179 A CB -0.106 18.968 19.000 0.123 0.000 0.826 179 A HN 0.185 nan 8.150 nan 0.000 0.447 180 E N -0.193 120.038 120.200 0.052 0.000 2.077 180 E HA -0.194 4.157 4.350 0.002 0.000 0.193 180 E C 2.279 178.885 176.600 0.011 0.000 0.989 180 E CA 1.477 57.892 56.400 0.025 0.000 0.800 180 E CB -0.403 29.307 29.700 0.016 0.000 0.746 180 E HN 0.786 nan 8.360 nan 0.000 0.452 181 Q N -0.152 119.653 119.800 0.008 0.000 2.124 181 Q HA -0.082 4.259 4.340 0.002 0.000 0.202 181 Q C 2.328 178.313 176.000 -0.024 0.000 0.977 181 Q CA 1.410 57.207 55.803 -0.009 0.000 0.850 181 Q CB -0.060 28.671 28.738 -0.012 0.000 0.901 181 Q HN 0.090 nan 8.270 nan 0.000 0.429 182 S N 0.548 116.239 115.700 -0.016 0.000 2.368 182 S HA -0.171 4.300 4.470 0.002 0.000 0.225 182 S C 1.802 176.378 174.600 -0.041 0.000 1.030 182 S CA 1.091 59.261 58.200 -0.051 0.000 0.999 182 S CB -0.191 62.992 63.200 -0.028 0.000 0.844 182 S HN 0.313 nan 8.310 nan 0.000 0.459 183 R N 1.185 121.686 120.500 0.001 0.000 2.073 183 R HA -0.083 4.258 4.340 0.002 0.000 0.234 183 R C 2.410 178.658 176.300 -0.085 0.000 1.134 183 R CA 1.363 57.427 56.100 -0.060 0.000 0.952 183 R CB -0.517 29.752 30.300 -0.051 0.000 0.850 183 R HN 0.377 nan 8.270 nan 0.000 0.433 184 A N 0.793 123.582 122.820 -0.051 0.000 1.908 184 A HA -0.156 4.164 4.320 0.002 0.000 0.218 184 A C 2.368 179.928 177.584 -0.039 0.000 1.181 184 A CA 1.842 53.855 52.037 -0.040 0.000 0.627 184 A CB -0.835 18.152 19.000 -0.023 0.000 0.818 184 A HN 0.564 nan 8.150 nan 0.000 0.445 185 A N -0.104 122.686 122.820 -0.051 0.000 1.908 185 A HA -0.111 4.210 4.320 0.002 0.000 0.218 185 A C 2.143 179.703 177.584 -0.040 0.000 1.181 185 A CA 1.601 53.618 52.037 -0.034 0.000 0.627 185 A CB -0.616 18.350 19.000 -0.057 0.000 0.818 185 A HN 0.514 nan 8.150 nan 0.000 0.445 186 I N -0.010 120.442 120.570 -0.198 0.000 2.179 186 I HA -0.266 3.905 4.170 0.002 0.000 0.242 186 I C 2.123 178.217 176.117 -0.038 0.000 1.088 186 I CA 1.302 62.404 61.300 -0.329 0.000 1.357 186 I CB -0.496 37.121 38.000 -0.639 0.000 1.051 186 I HN 0.304 nan 8.210 nan 0.000 0.409 187 N N 0.535 119.199 118.700 -0.059 0.000 2.166 187 N HA -0.184 4.557 4.740 0.002 0.000 0.186 187 N C 1.929 177.457 175.510 0.029 0.000 1.019 187 N CA 1.133 54.176 53.050 -0.013 0.000 0.856 187 N CB -0.376 38.086 38.487 -0.041 0.000 0.993 187 N HN 0.156 nan 8.380 nan 0.000 0.426 188 K N -0.035 120.389 120.400 0.040 0.000 2.057 188 K HA -0.112 4.209 4.320 0.002 0.000 0.206 188 K C 1.780 178.433 176.600 0.088 0.000 1.050 188 K CA 0.987 57.301 56.287 0.046 0.000 0.935 188 K CB -0.833 31.694 32.500 0.044 0.000 0.715 188 K HN 0.498 nan 8.250 nan 0.000 0.439 189 W N 0.515 121.810 121.300 -0.008 0.000 2.355 189 W HA -0.160 4.501 4.660 0.001 0.000 0.309 189 W C 1.845 178.379 176.519 0.026 0.000 1.206 189 W CA 1.752 59.116 57.345 0.031 0.000 1.284 189 W CB -0.514 29.014 29.460 0.114 0.000 1.145 189 W HN 0.060 nan 8.180 nan 0.000 0.502 190 V N -0.015 119.993 119.914 0.155 0.000 2.295 190 V HA -0.323 3.798 4.120 0.002 0.000 0.246 190 V C 2.515 178.516 176.094 -0.156 0.000 1.049 190 V CA 2.217 64.497 62.300 -0.034 0.000 1.024 190 V CB -1.372 30.530 31.823 0.132 0.000 0.648 190 V HN 0.332 nan 8.190 nan 0.000 0.447 191 S N 0.441 116.088 115.700 -0.089 0.000 2.359 191 S HA -0.287 4.184 4.470 0.002 0.000 0.224 191 S C 1.976 176.477 174.600 -0.164 0.000 1.035 191 S CA 2.325 60.460 58.200 -0.109 0.000 1.018 191 S CB -0.592 62.567 63.200 -0.069 0.000 0.876 191 S HN 0.687 nan 8.310 nan 0.000 0.448 192 N N 1.032 119.627 118.700 -0.176 0.000 2.104 192 N HA -0.111 4.630 4.740 0.002 0.000 0.190 192 N C 1.733 177.075 175.510 -0.279 0.000 1.024 192 N CA 1.679 54.610 53.050 -0.198 0.000 0.853 192 N CB -0.310 38.077 38.487 -0.167 0.000 1.008 192 N HN 0.511 nan 8.380 nan 0.000 0.424 193 K N -0.925 119.213 120.400 -0.436 0.000 2.296 193 K HA -0.005 4.316 4.320 0.002 0.000 0.200 193 K C 0.690 177.100 176.600 -0.316 0.000 1.048 193 K CA 1.432 57.432 56.287 -0.479 0.000 0.966 193 K CB -0.038 31.942 32.500 -0.868 0.000 0.754 193 K HN 0.380 nan 8.250 nan 0.000 0.466 194 T N -1.882 112.514 114.554 -0.264 0.000 3.186 194 T HA 0.188 4.539 4.350 0.002 0.000 0.257 194 T C -0.418 174.145 174.700 -0.228 0.000 1.029 194 T CA -0.335 61.642 62.100 -0.204 0.000 0.916 194 T CB -0.118 68.655 68.868 -0.159 0.000 1.041 194 T HN 0.277 nan 8.240 nan 0.000 0.562 195 E N 0.526 120.600 120.200 -0.210 0.000 2.476 195 E HA -0.231 4.120 4.350 0.002 0.000 0.251 195 E C 1.074 177.547 176.600 -0.211 0.000 1.130 195 E CA 0.356 56.638 56.400 -0.198 0.000 0.736 195 E CB -1.919 27.662 29.700 -0.200 0.000 1.298 195 E HN 0.955 nan 8.360 nan 0.000 0.400 196 G N -0.270 108.415 108.800 -0.191 0.000 2.184 196 G HA2 -0.425 3.536 3.960 0.002 0.000 0.264 196 G HA3 -0.425 3.536 3.960 0.002 0.000 0.264 196 G C 0.850 175.619 174.900 -0.219 0.000 0.975 196 G CA 0.733 45.729 45.100 -0.173 0.000 0.642 196 G HN 0.411 nan 8.290 nan 0.000 0.536 197 R N -0.544 119.770 120.500 -0.310 0.000 2.119 197 R HA 0.244 4.585 4.340 0.002 0.000 0.222 197 R C 1.009 177.152 176.300 -0.261 0.000 1.088 197 R CA 0.944 56.773 56.100 -0.452 0.000 0.984 197 R CB 0.193 30.017 30.300 -0.794 0.000 0.884 197 R HN 0.483 nan 8.270 nan 0.000 0.447 198 I N 2.001 122.494 120.570 -0.128 0.000 2.382 198 I HA 0.137 4.308 4.170 0.002 0.000 0.285 198 I C -0.114 176.001 176.117 -0.003 0.000 1.007 198 I CA -0.516 60.786 61.300 0.003 0.000 1.142 198 I CB 1.829 39.856 38.000 0.045 0.000 1.289 198 I HN 0.037 nan 8.210 nan 0.000 0.453 199 T N 0.119 114.690 114.554 0.028 0.000 2.924 199 T HA 0.376 4.727 4.350 0.002 0.000 0.291 199 T C 0.013 174.730 174.700 0.027 0.000 1.045 199 T CA -0.644 61.465 62.100 0.013 0.000 1.015 199 T CB 1.859 70.730 68.868 0.005 0.000 1.103 199 T HN 0.596 nan 8.240 nan 0.000 0.496 200 D N 0.071 120.474 120.400 0.003 0.000 2.686 200 D HA -0.160 4.481 4.640 0.002 0.000 0.235 200 D C 0.857 177.146 176.300 -0.017 0.000 1.160 200 D CA 0.880 54.873 54.000 -0.011 0.000 0.645 200 D CB -1.097 39.706 40.800 0.004 0.000 1.039 200 D HN 0.584 nan 8.370 nan 0.000 0.423 201 V N 0.137 120.037 119.914 -0.023 0.000 2.407 201 V HA -0.062 4.059 4.120 0.002 0.000 0.248 201 V C 1.255 177.259 176.094 -0.149 0.000 1.055 201 V CA 1.423 63.708 62.300 -0.026 0.000 1.049 201 V CB 0.000 31.831 31.823 0.013 0.000 0.662 201 V HN 0.420 nan 8.190 nan 0.000 0.455 202 I N 3.636 124.050 120.570 -0.259 0.000 2.330 202 I HA 0.344 4.515 4.170 0.002 0.000 0.286 202 I C -2.239 173.722 176.117 -0.259 0.000 1.025 202 I CA -2.015 58.988 61.300 -0.495 0.000 1.197 202 I CB 1.558 39.195 38.000 -0.605 0.000 1.358 202 I HN 0.192 nan 8.210 nan 0.000 0.467 203 P HA -0.007 nan 4.420 nan 0.000 0.272 203 P C -0.024 177.242 177.300 -0.057 0.000 1.240 203 P CA -0.208 62.855 63.100 -0.062 0.000 0.791 203 P CB 0.840 32.545 31.700 0.008 0.000 0.978 204 S N 0.685 116.371 115.700 -0.024 0.000 2.558 204 S HA -0.047 4.424 4.470 0.002 0.000 0.288 204 S C 0.750 175.350 174.600 0.000 0.000 1.318 204 S CA 0.554 58.746 58.200 -0.014 0.000 1.056 204 S CB -0.915 62.284 63.200 -0.002 0.000 0.853 204 S HN 0.564 nan 8.310 nan 0.000 0.505 205 E N 0.889 121.090 120.200 0.002 0.000 3.916 205 E HA -0.300 4.051 4.350 0.002 0.000 0.331 205 E C 1.040 177.658 176.600 0.031 0.000 0.729 205 E CA 0.900 57.310 56.400 0.017 0.000 1.222 205 E CB -1.886 27.829 29.700 0.025 0.000 1.633 205 E HN 0.756 nan 8.360 nan 0.000 0.437 206 A N 0.694 123.526 122.820 0.020 0.000 2.067 206 A HA 0.135 4.456 4.320 0.002 0.000 0.219 206 A C 1.270 178.907 177.584 0.089 0.000 1.158 206 A CA 1.268 53.352 52.037 0.079 0.000 0.661 206 A CB -0.409 18.591 19.000 -0.000 0.000 0.801 206 A HN 0.439 nan 8.150 nan 0.000 0.452 207 I N -3.197 117.372 120.570 -0.001 0.000 2.828 207 I HA 0.705 4.876 4.170 0.002 0.000 0.302 207 I C -1.077 175.026 176.117 -0.023 0.000 1.101 207 I CA -1.227 60.046 61.300 -0.045 0.000 1.031 207 I CB 2.426 40.339 38.000 -0.144 0.000 1.231 207 I HN 0.217 nan 8.210 nan 0.000 0.427 208 N N 1.839 120.520 118.700 -0.032 0.000 3.506 208 N HA 0.308 5.049 4.740 0.002 0.000 0.331 208 N C -0.055 175.481 175.510 0.044 0.000 1.631 208 N CA -0.694 52.368 53.050 0.020 0.000 0.786 208 N CB 0.319 38.824 38.487 0.029 0.000 2.023 208 N HN 0.548 nan 8.380 nan 0.000 0.621 209 E N -0.408 119.832 120.200 0.067 0.000 2.333 209 E HA 0.122 4.473 4.350 0.002 0.000 0.198 209 E C 0.840 177.493 176.600 0.088 0.000 1.007 209 E CA 0.740 57.195 56.400 0.091 0.000 0.845 209 E CB -0.332 29.411 29.700 0.073 0.000 0.766 209 E HN 0.507 nan 8.360 nan 0.000 0.507 210 L N 0.101 121.362 121.223 0.064 0.000 2.607 210 L HA 0.118 4.459 4.340 0.002 0.000 0.228 210 L C 0.326 177.224 176.870 0.047 0.000 1.123 210 L CA -0.044 54.844 54.840 0.080 0.000 0.890 210 L CB 0.155 42.269 42.059 0.092 0.000 1.103 210 L HN -0.089 nan 8.230 nan 0.000 0.468 211 T N -0.079 114.441 114.554 -0.056 0.000 2.888 211 T HA 0.098 4.448 4.350 0.002 0.000 0.301 211 T C 1.069 175.640 174.700 -0.214 0.000 1.001 211 T CA -0.021 61.920 62.100 -0.264 0.000 1.147 211 T CB 2.218 70.696 68.868 -0.649 0.000 0.931 211 T HN -0.123 nan 8.240 nan 0.000 0.541 212 V N 2.907 122.666 119.914 -0.259 0.000 2.854 212 V HA 0.379 4.500 4.120 0.002 0.000 0.236 212 V C -0.029 176.058 176.094 -0.012 0.000 1.157 212 V CA 0.046 62.273 62.300 -0.121 0.000 1.187 212 V CB 0.215 31.821 31.823 -0.361 0.000 0.949 212 V HN 0.607 nan 8.190 nan 0.000 0.488 213 L N 1.544 122.669 121.223 -0.164 0.000 2.464 213 L HA 0.772 5.113 4.340 0.002 0.000 0.266 213 L C -1.079 175.775 176.870 -0.027 0.000 0.965 213 L CA -0.669 54.158 54.840 -0.021 0.000 0.833 213 L CB 2.043 44.062 42.059 -0.066 0.000 1.296 213 L HN 0.079 nan 8.230 nan 0.000 0.405 214 V N 2.275 122.249 119.914 0.100 0.000 2.876 214 V HA 0.740 4.861 4.120 0.002 0.000 0.312 214 V C -1.164 175.048 176.094 0.198 0.000 1.085 214 V CA -0.790 61.606 62.300 0.161 0.000 0.945 214 V CB 1.898 33.881 31.823 0.265 0.000 1.017 214 V HN 0.645 nan 8.190 nan 0.000 0.428 215 L N 3.825 125.135 121.223 0.145 0.000 2.317 215 L HA 0.781 5.122 4.340 0.002 0.000 0.281 215 L C -0.192 176.832 176.870 0.257 0.000 1.024 215 L CA -0.233 54.658 54.840 0.086 0.000 0.810 215 L CB 1.844 43.800 42.059 -0.170 0.000 1.240 215 L HN 0.657 nan 8.230 nan 0.000 0.427 216 V N 2.974 123.066 119.914 0.296 0.000 2.483 216 V HA 0.546 4.667 4.120 0.002 0.000 0.297 216 V C -1.040 175.227 176.094 0.288 0.000 1.027 216 V CA -0.785 61.728 62.300 0.354 0.000 0.855 216 V CB 1.815 33.911 31.823 0.455 0.000 0.995 216 V HN 0.925 nan 8.190 nan 0.000 0.424 217 N N 1.873 120.730 118.700 0.262 0.000 2.430 217 N HA 0.738 5.478 4.740 0.002 0.000 0.290 217 N C -0.708 174.876 175.510 0.123 0.000 1.063 217 N CA -0.706 52.485 53.050 0.235 0.000 0.883 217 N CB 2.249 40.915 38.487 0.299 0.000 1.465 217 N HN 0.625 nan 8.380 nan 0.000 0.493 218 T N -0.645 113.962 114.554 0.087 0.000 2.906 218 T HA 0.775 5.126 4.350 0.002 0.000 0.295 218 T C -0.658 174.095 174.700 0.088 0.000 1.061 218 T CA -0.797 61.310 62.100 0.011 0.000 1.000 218 T CB 1.381 70.285 68.868 0.061 0.000 1.103 218 T HN 0.640 nan 8.240 nan 0.000 0.486 219 I N 1.478 122.137 120.570 0.148 0.000 2.785 219 I HA 0.609 4.780 4.170 0.002 0.000 0.293 219 I C -2.307 174.065 176.117 0.425 0.000 1.446 219 I CA -1.153 60.329 61.300 0.303 0.000 1.028 219 I CB 2.202 40.446 38.000 0.406 0.000 1.349 219 I HN 0.961 nan 8.210 nan 0.000 0.438 220 Y N 7.419 127.883 120.300 0.273 0.000 2.425 220 Y HA 0.700 5.252 4.550 0.002 0.000 0.344 220 Y C -2.122 173.930 175.900 0.253 0.000 0.969 220 Y CA -0.913 57.325 58.100 0.230 0.000 1.052 220 Y CB 1.743 40.214 38.460 0.018 0.000 1.215 220 Y HN 0.471 nan 8.280 nan 0.000 0.451 221 F N 6.616 126.128 119.950 -0.729 0.000 2.573 221 F HA 0.523 5.051 4.527 0.002 0.000 0.316 221 F C -1.669 173.621 175.800 -0.850 0.000 1.148 221 F CA -0.752 56.863 58.000 -0.642 0.000 0.940 221 F CB 1.430 40.067 39.000 -0.605 0.000 1.214 221 F HN 0.517 nan 8.300 nan 0.000 0.448 222 K N 4.979 124.639 120.400 -1.233 0.000 2.656 222 K HA 0.550 4.871 4.320 0.002 0.000 0.241 222 K C -0.404 175.502 176.600 -1.156 0.000 0.967 222 K CA -0.580 55.166 56.287 -0.902 0.000 0.946 222 K CB 1.170 33.394 32.500 -0.460 0.000 1.164 222 K HN 0.882 nan 8.250 nan 0.000 0.459 223 G N 2.601 110.638 108.800 -1.272 0.000 2.507 223 G HA2 0.395 4.356 3.960 0.002 0.000 0.271 223 G HA3 0.395 4.356 3.960 0.002 0.000 0.271 223 G C -1.034 173.440 174.900 -0.710 0.000 1.189 223 G CA -0.556 43.750 45.100 -1.324 0.000 0.859 223 G HN 0.376 nan 8.290 nan 0.000 0.542 224 L N 1.078 122.049 121.223 -0.419 0.000 2.294 224 L HA 0.381 4.722 4.340 0.002 0.000 0.283 224 L C -0.232 176.752 176.870 0.190 0.000 1.015 224 L CA -1.041 53.725 54.840 -0.123 0.000 0.831 224 L CB 0.905 42.924 42.059 -0.067 0.000 1.217 224 L HN 0.612 nan 8.230 nan 0.000 0.420 225 W N 3.662 125.170 121.300 0.345 0.000 2.170 225 W HA 0.069 4.729 4.660 0.001 0.000 0.342 225 W C 1.628 178.250 176.519 0.173 0.000 1.294 225 W CA -0.240 57.267 57.345 0.269 0.000 1.246 225 W CB 0.742 30.316 29.460 0.191 0.000 1.156 225 W HN 0.574 nan 8.180 nan 0.000 0.572 226 K N 0.871 121.526 120.400 0.424 0.000 2.116 226 K HA -0.099 4.222 4.320 0.002 0.000 0.203 226 K C 0.657 177.366 176.600 0.181 0.000 1.052 226 K CA 1.091 57.524 56.287 0.244 0.000 0.952 226 K CB 0.030 32.644 32.500 0.190 0.000 0.729 226 K HN 0.260 nan 8.250 nan 0.000 0.446 227 S N 1.477 117.288 115.700 0.186 0.000 2.622 227 S HA 0.181 4.651 4.470 0.002 0.000 0.283 227 S C -0.852 173.749 174.600 0.000 0.000 1.197 227 S CA -0.983 57.249 58.200 0.053 0.000 1.146 227 S CB 0.456 63.644 63.200 -0.021 0.000 1.007 227 S HN 0.340 nan 8.310 nan 0.000 0.478 228 K N 3.020 123.479 120.400 0.099 0.000 2.230 228 K HA 0.260 4.581 4.320 0.002 0.000 0.253 228 K C -0.958 175.615 176.600 -0.044 0.000 1.008 228 K CA -0.115 56.272 56.287 0.166 0.000 0.910 228 K CB 0.276 32.924 32.500 0.245 0.000 0.994 228 K HN 0.354 nan 8.250 nan 0.000 0.495 229 F N 0.665 120.656 119.950 0.068 0.000 2.399 229 F HA 0.194 4.722 4.527 0.001 0.000 0.334 229 F C 0.307 176.153 175.800 0.077 0.000 1.097 229 F CA -0.492 57.525 58.000 0.028 0.000 1.076 229 F CB 1.892 40.896 39.000 0.008 0.000 1.162 229 F HN 0.450 nan 8.300 nan 0.000 0.495 230 S N 4.356 120.199 115.700 0.238 0.000 2.489 230 S HA 0.183 4.654 4.470 0.002 0.000 0.277 230 S C -1.785 172.912 174.600 0.163 0.000 1.230 230 S CA -1.016 57.282 58.200 0.164 0.000 1.053 230 S CB 1.397 64.664 63.200 0.112 0.000 0.955 230 S HN 0.381 nan 8.310 nan 0.000 0.488 231 P HA -0.188 nan 4.420 nan 0.000 0.219 231 P C 1.328 178.671 177.300 0.073 0.000 1.146 231 P CA 0.896 64.055 63.100 0.099 0.000 0.808 231 P CB 0.033 31.781 31.700 0.081 0.000 0.779 232 E N -1.127 119.112 120.200 0.064 0.000 2.338 232 E HA -0.142 4.209 4.350 0.002 0.000 0.197 232 E C 1.017 177.633 176.600 0.028 0.000 1.007 232 E CA 0.832 57.256 56.400 0.039 0.000 0.849 232 E CB -0.745 28.974 29.700 0.032 0.000 0.774 232 E HN 0.232 nan 8.360 nan 0.000 0.506 233 N N 0.600 119.333 118.700 0.056 0.000 2.236 233 N HA 0.041 4.782 4.740 0.002 0.000 0.196 233 N C -0.541 174.999 175.510 0.050 0.000 1.114 233 N CA 0.305 53.375 53.050 0.034 0.000 0.859 233 N CB 1.009 39.569 38.487 0.122 0.000 0.982 233 N HN 0.035 nan 8.380 nan 0.000 0.493 234 T N 2.090 116.680 114.554 0.061 0.000 2.771 234 T HA 0.474 4.825 4.350 0.002 0.000 0.291 234 T C 0.487 175.207 174.700 0.033 0.000 0.954 234 T CA -0.456 61.676 62.100 0.054 0.000 1.045 234 T CB 1.122 70.020 68.868 0.051 0.000 0.917 234 T HN 0.325 nan 8.240 nan 0.000 0.484 235 R N 0.863 121.384 120.500 0.035 0.000 2.734 235 R HA 0.551 4.892 4.340 0.002 0.000 0.271 235 R C -1.420 174.903 176.300 0.038 0.000 1.021 235 R CA -1.330 54.786 56.100 0.027 0.000 0.893 235 R CB 0.949 31.254 30.300 0.009 0.000 1.244 235 R HN 0.080 nan 8.270 nan 0.000 0.464 236 K N 1.727 122.145 120.400 0.030 0.000 2.416 236 K HA 0.157 4.478 4.320 0.002 0.000 0.283 236 K C -0.650 175.969 176.600 0.032 0.000 1.037 236 K CA 0.460 56.765 56.287 0.031 0.000 0.995 236 K CB 0.635 33.148 32.500 0.022 0.000 0.938 236 K HN 0.582 nan 8.250 nan 0.000 0.475 237 E N 2.030 122.251 120.200 0.035 0.000 2.383 237 E HA 0.316 4.667 4.350 0.002 0.000 0.275 237 E C -0.513 176.075 176.600 -0.020 0.000 0.918 237 E CA -0.864 55.549 56.400 0.020 0.000 0.764 237 E CB 1.875 31.608 29.700 0.055 0.000 1.252 237 E HN 0.270 nan 8.360 nan 0.000 0.449 238 L N 2.011 123.171 121.223 -0.105 0.000 2.416 238 L HA 0.286 4.627 4.340 0.002 0.000 0.272 238 L C -0.380 176.252 176.870 -0.397 0.000 1.161 238 L CA -0.053 54.638 54.840 -0.248 0.000 0.845 238 L CB 0.161 42.002 42.059 -0.365 0.000 1.119 238 L HN 0.406 nan 8.230 nan 0.000 0.464 239 F N 2.921 122.610 119.950 -0.435 0.000 2.449 239 F HA 0.383 4.911 4.527 0.001 0.000 0.342 239 F C -0.733 174.841 175.800 -0.376 0.000 1.127 239 F CA -0.690 57.098 58.000 -0.354 0.000 0.975 239 F CB 0.835 39.749 39.000 -0.143 0.000 1.146 239 F HN 0.166 nan 8.300 nan 0.000 0.444 240 Y N 5.791 125.886 120.300 -0.341 0.000 2.535 240 Y HA 0.320 4.871 4.550 0.001 0.000 0.349 240 Y C 0.443 176.255 175.900 -0.147 0.000 0.992 240 Y CA -0.763 57.229 58.100 -0.180 0.000 1.248 240 Y CB 0.135 38.477 38.460 -0.197 0.000 1.124 240 Y HN 0.399 nan 8.280 nan 0.000 0.520 241 K N 1.109 121.637 120.400 0.214 0.000 2.180 241 K HA 0.379 4.700 4.320 0.002 0.000 0.251 241 K C 0.993 177.663 176.600 0.117 0.000 1.014 241 K CA 0.158 56.580 56.287 0.225 0.000 0.913 241 K CB 0.795 33.419 32.500 0.207 0.000 1.008 241 K HN 0.708 nan 8.250 nan 0.000 0.490 242 A N 1.596 124.471 122.820 0.092 0.000 2.121 242 A HA -0.131 4.190 4.320 0.002 0.000 0.218 242 A C 1.159 178.764 177.584 0.035 0.000 1.154 242 A CA 1.597 53.663 52.037 0.048 0.000 0.679 242 A CB -0.471 18.551 19.000 0.036 0.000 0.795 242 A HN 0.841 nan 8.150 nan 0.000 0.458 243 D N -1.921 118.505 120.400 0.044 0.000 2.336 243 D HA 0.253 4.894 4.640 0.002 0.000 0.229 243 D C 1.181 177.500 176.300 0.032 0.000 1.061 243 D CA 0.827 54.845 54.000 0.031 0.000 0.875 243 D CB -0.641 40.176 40.800 0.029 0.000 0.904 243 D HN 0.645 nan 8.370 nan 0.000 0.525 244 G N -0.577 108.247 108.800 0.040 0.000 2.225 244 G HA2 -0.275 3.686 3.960 0.002 0.000 0.254 244 G HA3 -0.275 3.686 3.960 0.002 0.000 0.254 244 G C 0.214 175.151 174.900 0.061 0.000 0.988 244 G CA 0.188 45.310 45.100 0.035 0.000 0.625 244 G HN 0.395 nan 8.290 nan 0.000 0.527 245 E N 0.588 120.832 120.200 0.075 0.000 2.280 245 E HA 0.668 5.019 4.350 0.002 0.000 0.261 245 E C 0.502 177.183 176.600 0.135 0.000 1.088 245 E CA 0.306 56.759 56.400 0.088 0.000 0.915 245 E CB 1.551 31.289 29.700 0.064 0.000 1.141 245 E HN 0.727 nan 8.360 nan 0.000 0.433 246 S N -0.873 114.902 115.700 0.125 0.000 2.570 246 S HA 0.752 5.223 4.470 0.002 0.000 0.286 246 S C -0.215 174.423 174.600 0.064 0.000 1.099 246 S CA -0.851 57.416 58.200 0.112 0.000 0.913 246 S CB 0.885 64.162 63.200 0.128 0.000 1.085 246 S HN 0.697 nan 8.310 nan 0.000 0.480 247 c N -0.296 118.334 118.600 0.050 0.000 3.090 247 c HA 0.863 5.434 4.570 0.002 0.000 0.305 247 c C 0.055 174.154 174.090 0.016 0.000 1.292 247 c CA -0.762 55.585 56.329 0.031 0.000 1.482 247 c CB 0.862 43.386 42.510 0.023 0.000 1.897 247 c HN 0.919 nan 8.230 nan 0.000 0.469 248 S N 1.107 116.811 115.700 0.007 0.000 2.422 248 S HA 0.633 5.103 4.470 0.002 0.000 0.283 248 S C 0.145 174.751 174.600 0.009 0.000 1.163 248 S CA 0.261 58.466 58.200 0.007 0.000 1.054 248 S CB -0.468 62.737 63.200 0.008 0.000 0.967 248 S HN 1.621 nan 8.310 nan 0.000 0.499 249 A N 4.205 127.041 122.820 0.026 0.000 2.356 249 A HA 0.731 5.052 4.320 0.002 0.000 0.323 249 A C -0.051 177.563 177.584 0.050 0.000 1.119 249 A CA -0.736 51.317 52.037 0.027 0.000 0.790 249 A CB 1.302 20.318 19.000 0.027 0.000 1.273 249 A HN 0.683 nan 8.150 nan 0.000 0.452 250 S N 1.176 116.908 115.700 0.053 0.000 2.422 250 S HA 0.352 4.823 4.470 0.002 0.000 0.283 250 S C -0.236 174.409 174.600 0.074 0.000 1.163 250 S CA 0.031 58.264 58.200 0.056 0.000 1.054 250 S CB -0.199 63.030 63.200 0.048 0.000 0.967 250 S HN 0.559 nan 8.310 nan 0.000 0.499 251 M N 4.524 124.172 119.600 0.079 0.000 2.129 251 M HA 0.424 4.905 4.480 0.002 0.000 0.348 251 M C -0.402 175.934 176.300 0.060 0.000 1.116 251 M CA -0.042 55.316 55.300 0.097 0.000 1.022 251 M CB 0.601 33.290 32.600 0.149 0.000 1.599 251 M HN 0.548 nan 8.290 nan 0.000 0.449 252 M N 3.357 122.934 119.600 -0.039 0.000 2.291 252 M HA 0.362 4.843 4.480 0.002 0.000 0.324 252 M C -1.143 175.177 176.300 0.034 0.000 1.148 252 M CA -0.378 54.844 55.300 -0.131 0.000 1.104 252 M CB 1.072 33.275 32.600 -0.661 0.000 1.483 252 M HN 0.623 nan 8.290 nan 0.000 0.467 253 Y N 1.576 121.925 120.300 0.081 0.000 2.513 253 Y HA 0.497 5.048 4.550 0.002 0.000 0.340 253 Y C -1.463 174.562 175.900 0.208 0.000 1.055 253 Y CA -0.703 57.435 58.100 0.064 0.000 1.020 253 Y CB 1.621 40.003 38.460 -0.130 0.000 1.301 253 Y HN 0.740 nan 8.280 nan 0.000 0.453 254 Q N 3.378 123.054 119.800 -0.207 0.000 2.647 254 Q HA 0.403 4.744 4.340 0.002 0.000 0.283 254 Q C -2.200 173.585 176.000 -0.358 0.000 0.943 254 Q CA -1.094 54.598 55.803 -0.185 0.000 0.813 254 Q CB 2.236 30.790 28.738 -0.307 0.000 1.477 254 Q HN 0.736 nan 8.270 nan 0.000 0.393 255 E N 0.608 120.697 120.200 -0.185 0.000 2.176 255 E HA 0.720 5.071 4.350 0.002 0.000 0.267 255 E C -1.063 175.463 176.600 -0.123 0.000 0.893 255 E CA -0.632 55.680 56.400 -0.147 0.000 0.761 255 E CB 1.558 31.207 29.700 -0.085 0.000 1.133 255 E HN 0.832 nan 8.360 nan 0.000 0.409 256 G N 1.345 110.065 108.800 -0.134 0.000 2.550 256 G HA2 0.499 4.460 3.960 0.002 0.000 0.293 256 G HA3 0.499 4.460 3.960 0.002 0.000 0.293 256 G C -1.438 173.143 174.900 -0.533 0.000 1.402 256 G CA -0.381 44.492 45.100 -0.379 0.000 0.784 256 G HN 0.520 nan 8.290 nan 0.000 0.482 257 K N -0.237 119.748 120.400 -0.691 0.000 2.276 257 K HA 0.772 5.093 4.320 0.002 0.000 0.285 257 K C -1.293 174.831 176.600 -0.794 0.000 1.062 257 K CA -0.379 55.598 56.287 -0.517 0.000 0.918 257 K CB 0.277 32.581 32.500 -0.326 0.000 1.055 257 K HN 0.516 nan 8.250 nan 0.000 0.477 258 F N 0.328 120.214 119.950 -0.107 0.000 2.613 258 F HA 0.474 5.002 4.527 0.001 0.000 0.310 258 F C 0.565 176.347 175.800 -0.030 0.000 1.085 258 F CA -1.153 56.789 58.000 -0.097 0.000 0.945 258 F CB 2.346 41.250 39.000 -0.160 0.000 1.298 258 F HN 0.433 nan 8.300 nan 0.000 0.455 259 R N 1.763 122.382 120.500 0.198 0.000 2.370 259 R HA 0.301 4.642 4.340 0.002 0.000 0.309 259 R C -1.388 175.022 176.300 0.184 0.000 1.059 259 R CA -0.010 56.175 56.100 0.143 0.000 0.981 259 R CB 0.379 30.739 30.300 0.100 0.000 0.972 259 R HN 0.719 nan 8.270 nan 0.000 0.437 260 Y N 1.653 121.963 120.300 0.017 0.000 2.625 260 Y HA 0.566 5.117 4.550 0.002 0.000 0.338 260 Y C -1.420 174.480 175.900 -0.000 0.000 1.123 260 Y CA -1.320 56.778 58.100 -0.005 0.000 1.046 260 Y CB 1.912 40.370 38.460 -0.004 0.000 1.299 260 Y HN 0.522 nan 8.280 nan 0.000 0.464 261 R N 3.139 123.030 120.500 -1.014 0.000 2.633 261 R HA 0.338 4.679 4.340 0.002 0.000 0.256 261 R C -2.353 173.377 176.300 -0.950 0.000 1.131 261 R CA -0.720 54.909 56.100 -0.785 0.000 0.994 261 R CB 1.175 31.273 30.300 -0.336 0.000 1.261 261 R HN 0.867 nan 8.270 nan 0.000 0.446 262 R N 4.359 124.481 120.500 -0.631 0.000 2.207 262 R HA 0.507 4.848 4.340 0.002 0.000 0.334 262 R C 0.038 176.139 176.300 -0.332 0.000 1.013 262 R CA -0.475 55.392 56.100 -0.389 0.000 0.858 262 R CB 0.669 30.899 30.300 -0.117 0.000 1.094 262 R HN 0.550 nan 8.270 nan 0.000 0.457 263 V N 1.763 121.405 119.914 -0.455 0.000 3.613 263 V HA 0.690 4.811 4.120 0.002 0.000 0.283 263 V C 0.503 176.450 176.094 -0.245 0.000 1.052 263 V CA -0.721 61.303 62.300 -0.459 0.000 0.937 263 V CB 0.608 31.796 31.823 -1.058 0.000 1.241 263 V HN 0.850 nan 8.190 nan 0.000 0.429 264 A N -0.539 122.209 122.820 -0.120 0.000 2.561 264 A HA 0.276 4.597 4.320 0.002 0.000 0.234 264 A C 0.799 178.369 177.584 -0.023 0.000 1.055 264 A CA 0.920 52.951 52.037 -0.010 0.000 0.756 264 A CB -1.129 17.930 19.000 0.099 0.000 0.986 264 A HN 1.353 nan 8.150 nan 0.000 0.505 265 E N 0.106 120.300 120.200 -0.011 0.000 3.070 265 E HA -0.251 4.100 4.350 0.002 0.000 0.285 265 E C 0.954 177.532 176.600 -0.036 0.000 0.972 265 E CA 1.347 57.741 56.400 -0.010 0.000 0.915 265 E CB -1.877 27.834 29.700 0.018 0.000 1.466 265 E HN 2.366 nan 8.360 nan 0.000 0.432 266 G N -0.593 108.170 108.800 -0.062 0.000 2.162 266 G HA2 -0.361 3.600 3.960 0.002 0.000 0.260 266 G HA3 -0.361 3.600 3.960 0.002 0.000 0.260 266 G C 0.355 175.195 174.900 -0.100 0.000 0.976 266 G CA 0.548 45.605 45.100 -0.070 0.000 0.655 266 G HN 0.291 nan 8.290 nan 0.000 0.533 267 T N 1.437 115.904 114.554 -0.146 0.000 2.888 267 T HA 0.419 4.770 4.350 0.002 0.000 0.301 267 T C 0.487 175.044 174.700 -0.238 0.000 1.001 267 T CA 0.399 62.393 62.100 -0.177 0.000 1.147 267 T CB 0.978 69.711 68.868 -0.224 0.000 0.931 267 T HN 0.442 nan 8.240 nan 0.000 0.541 268 Q N 1.828 121.560 119.800 -0.114 0.000 2.257 268 Q HA 0.553 4.894 4.340 0.002 0.000 0.255 268 Q C -0.930 175.114 176.000 0.074 0.000 0.920 268 Q CA -0.733 55.056 55.803 -0.023 0.000 0.927 268 Q CB 1.762 30.641 28.738 0.235 0.000 1.229 268 Q HN 0.381 nan 8.270 nan 0.000 0.433 269 V N 3.917 123.760 119.914 -0.118 0.000 2.444 269 V HA 0.460 4.581 4.120 0.002 0.000 0.294 269 V C -0.962 175.110 176.094 -0.037 0.000 1.022 269 V CA -0.748 61.537 62.300 -0.026 0.000 0.850 269 V CB 1.506 33.257 31.823 -0.120 0.000 0.992 269 V HN 0.548 nan 8.190 nan 0.000 0.426 270 L N 4.077 125.276 121.223 -0.040 0.000 2.386 270 L HA 0.680 5.021 4.340 0.002 0.000 0.271 270 L C -0.527 176.261 176.870 -0.137 0.000 0.993 270 L CA -0.114 54.604 54.840 -0.204 0.000 0.819 270 L CB 2.075 43.626 42.059 -0.846 0.000 1.294 270 L HN 0.790 nan 8.230 nan 0.000 0.414 271 E N 4.896 125.050 120.200 -0.076 0.000 2.145 271 E HA 0.507 4.858 4.350 0.002 0.000 0.270 271 E C -1.758 174.794 176.600 -0.081 0.000 0.906 271 E CA -0.564 55.825 56.400 -0.019 0.000 0.761 271 E CB 1.146 30.880 29.700 0.057 0.000 1.116 271 E HN 0.706 nan 8.360 nan 0.000 0.408 272 L N 6.845 127.998 121.223 -0.116 0.000 2.316 272 L HA 0.461 4.802 4.340 0.002 0.000 0.280 272 L C -2.337 174.501 176.870 -0.053 0.000 1.006 272 L CA -2.214 52.517 54.840 -0.181 0.000 0.836 272 L CB 1.508 43.312 42.059 -0.424 0.000 1.221 272 L HN 0.425 nan 8.230 nan 0.000 0.418 273 P HA 0.288 nan 4.420 nan 0.000 0.277 273 P C -0.866 176.463 177.300 0.048 0.000 1.240 273 P CA -0.202 62.916 63.100 0.031 0.000 0.798 273 P CB 0.656 32.430 31.700 0.122 0.000 0.979 274 F N 0.060 120.188 119.950 0.297 0.000 2.457 274 F HA 0.393 4.920 4.527 0.001 0.000 0.330 274 F C 1.354 177.254 175.800 0.167 0.000 1.069 274 F CA -0.833 57.301 58.000 0.224 0.000 1.009 274 F CB 0.425 39.514 39.000 0.147 0.000 1.276 274 F HN 0.053 nan 8.300 nan 0.000 0.492 275 K N 0.422 121.023 120.400 0.335 0.000 2.586 275 K HA 0.162 4.483 4.320 0.002 0.000 0.280 275 K C 0.977 177.681 176.600 0.173 0.000 0.972 275 K CA 1.342 57.746 56.287 0.196 0.000 1.040 275 K CB -0.309 32.266 32.500 0.126 0.000 0.870 275 K HN 0.918 nan 8.250 nan 0.000 0.497 276 G N 2.162 111.037 108.800 0.125 0.000 2.267 276 G HA2 -0.355 3.606 3.960 0.002 0.000 0.257 276 G HA3 -0.355 3.606 3.960 0.002 0.000 0.257 276 G C 0.397 175.366 174.900 0.114 0.000 0.998 276 G CA 0.497 45.660 45.100 0.105 0.000 0.620 276 G HN 0.946 nan 8.290 nan 0.000 0.529 277 D N -0.192 120.295 120.400 0.146 0.000 2.614 277 D HA -0.229 4.412 4.640 0.002 0.000 0.182 277 D C 1.142 177.528 176.300 0.144 0.000 1.067 277 D CA 2.134 56.216 54.000 0.137 0.000 1.053 277 D CB -1.385 39.472 40.800 0.094 0.000 1.117 277 D HN 0.644 nan 8.370 nan 0.000 0.438 278 D N 0.584 121.071 120.400 0.145 0.000 2.084 278 D HA -0.071 4.570 4.640 0.002 0.000 0.194 278 D C 1.193 177.607 176.300 0.189 0.000 0.990 278 D CA 0.743 54.827 54.000 0.141 0.000 0.826 278 D CB 0.124 40.999 40.800 0.125 0.000 0.971 278 D HN 0.309 nan 8.370 nan 0.000 0.453 279 I N 1.326 122.053 120.570 0.260 0.000 2.365 279 I HA 0.289 4.460 4.170 0.002 0.000 0.291 279 I C 0.534 176.936 176.117 0.475 0.000 1.004 279 I CA -0.227 61.296 61.300 0.371 0.000 1.311 279 I CB 0.635 38.896 38.000 0.435 0.000 1.401 279 I HN 0.081 nan 8.210 nan 0.000 0.491 280 T N 3.585 118.371 114.554 0.388 0.000 2.883 280 T HA 0.672 5.022 4.350 0.002 0.000 0.296 280 T C -0.588 174.259 174.700 0.245 0.000 1.117 280 T CA -0.910 61.308 62.100 0.197 0.000 1.006 280 T CB 2.436 71.382 68.868 0.130 0.000 1.191 280 T HN 0.521 nan 8.240 nan 0.000 0.508 281 M N 2.427 122.064 119.600 0.061 0.000 2.294 281 M HA 0.661 5.142 4.480 0.002 0.000 0.335 281 M C -1.839 174.591 176.300 0.215 0.000 1.079 281 M CA -0.802 54.648 55.300 0.249 0.000 0.982 281 M CB 1.432 34.225 32.600 0.321 0.000 1.651 281 M HN 0.598 nan 8.290 nan 0.000 0.437 282 V N 6.416 126.514 119.914 0.307 0.000 2.417 282 V HA 0.501 4.622 4.120 0.002 0.000 0.291 282 V C -0.441 175.867 176.094 0.357 0.000 1.024 282 V CA -0.674 61.799 62.300 0.288 0.000 0.861 282 V CB 1.706 33.727 31.823 0.331 0.000 0.985 282 V HN 0.806 nan 8.190 nan 0.000 0.436 283 L N 5.845 127.224 121.223 0.259 0.000 2.329 283 L HA 0.644 4.985 4.340 0.002 0.000 0.279 283 L C -0.704 176.404 176.870 0.396 0.000 1.014 283 L CA -0.525 54.525 54.840 0.350 0.000 0.814 283 L CB 2.057 44.258 42.059 0.236 0.000 1.257 283 L HN 0.467 nan 8.230 nan 0.000 0.424 284 I N 4.421 125.259 120.570 0.447 0.000 2.382 284 I HA 0.280 4.451 4.170 0.002 0.000 0.285 284 I C -0.954 175.363 176.117 0.333 0.000 1.007 284 I CA -0.493 61.035 61.300 0.379 0.000 1.142 284 I CB 2.041 40.289 38.000 0.414 0.000 1.289 284 I HN 0.333 nan 8.210 nan 0.000 0.453 285 L N 10.418 131.776 121.223 0.225 0.000 2.318 285 L HA 0.621 4.962 4.340 0.002 0.000 0.277 285 L C -2.376 174.486 176.870 -0.014 0.000 1.008 285 L CA -1.808 53.062 54.840 0.050 0.000 0.846 285 L CB 1.143 43.007 42.059 -0.326 0.000 1.220 285 L HN 0.242 nan 8.230 nan 0.000 0.423 286 P HA 0.156 nan 4.420 nan 0.000 0.274 286 P C -1.110 176.161 177.300 -0.048 0.000 1.237 286 P CA -0.533 62.565 63.100 -0.003 0.000 0.793 286 P CB 0.673 32.394 31.700 0.035 0.000 0.977 287 K N 1.758 122.128 120.400 -0.051 0.000 2.230 287 K HA 0.306 4.627 4.320 0.002 0.000 0.253 287 K C -2.387 174.176 176.600 -0.060 0.000 1.008 287 K CA -1.548 54.701 56.287 -0.064 0.000 0.910 287 K CB -1.214 31.255 32.500 -0.052 0.000 0.994 287 K HN 0.242 nan 8.250 nan 0.000 0.495 288 P HA 0.071 nan 4.420 nan 0.000 0.271 288 P C 0.093 177.357 177.300 -0.060 0.000 1.218 288 P CA 1.286 64.340 63.100 -0.078 0.000 0.780 288 P CB 0.825 32.465 31.700 -0.099 0.000 0.901 289 E N 0.345 120.512 120.200 -0.055 0.000 4.252 289 E HA -0.268 4.083 4.350 0.002 0.000 0.373 289 E C 0.454 177.039 176.600 -0.024 0.000 0.570 289 E CA 1.381 57.756 56.400 -0.041 0.000 1.570 289 E CB -2.342 27.334 29.700 -0.041 0.000 1.887 289 E HN 0.594 nan 8.360 nan 0.000 0.407 290 K N 1.817 122.206 120.400 -0.018 0.000 2.266 290 K HA 0.474 4.795 4.320 0.002 0.000 0.274 290 K C 0.436 177.042 176.600 0.008 0.000 1.090 290 K CA 0.369 56.655 56.287 -0.001 0.000 0.925 290 K CB 0.652 33.156 32.500 0.006 0.000 1.225 290 K HN 0.677 nan 8.250 nan 0.000 0.458 291 S N 3.588 119.294 115.700 0.009 0.000 2.561 291 S HA -0.111 4.360 4.470 0.002 0.000 0.294 291 S C 1.118 175.740 174.600 0.035 0.000 1.294 291 S CA -0.540 57.669 58.200 0.016 0.000 1.055 291 S CB 0.640 63.846 63.200 0.011 0.000 0.819 291 S HN 0.696 nan 8.310 nan 0.000 0.503 292 L N 3.304 124.553 121.223 0.043 0.000 2.141 292 L HA 0.122 4.463 4.340 0.002 0.000 0.209 292 L C 2.550 179.461 176.870 0.068 0.000 1.094 292 L CA 2.087 56.967 54.840 0.067 0.000 0.763 292 L CB -1.513 40.587 42.059 0.068 0.000 0.908 292 L HN 0.970 nan 8.230 nan 0.000 0.437 293 A N -0.154 122.693 122.820 0.045 0.000 1.940 293 A HA -0.237 4.084 4.320 0.002 0.000 0.219 293 A C 2.555 180.162 177.584 0.038 0.000 1.176 293 A CA 2.508 54.566 52.037 0.034 0.000 0.631 293 A CB -0.899 18.107 19.000 0.009 0.000 0.814 293 A HN 0.450 nan 8.150 nan 0.000 0.446 294 K N -0.788 119.635 120.400 0.038 0.000 2.057 294 K HA 0.106 4.427 4.320 0.002 0.000 0.206 294 K C 1.953 178.591 176.600 0.063 0.000 1.050 294 K CA 1.528 57.838 56.287 0.039 0.000 0.935 294 K CB -1.387 31.134 32.500 0.034 0.000 0.715 294 K HN 0.358 nan 8.250 nan 0.000 0.439 295 V N 1.948 121.916 119.914 0.089 0.000 2.626 295 V HA -0.228 3.893 4.120 0.002 0.000 0.252 295 V C 2.284 178.453 176.094 0.126 0.000 1.067 295 V CA 1.920 64.299 62.300 0.131 0.000 1.081 295 V CB -0.468 31.456 31.823 0.168 0.000 0.686 295 V HN 0.641 nan 8.190 nan 0.000 0.468 296 E N 0.176 120.445 120.200 0.116 0.000 2.046 296 E HA -0.154 4.197 4.350 0.002 0.000 0.190 296 E C 2.466 179.125 176.600 0.099 0.000 0.982 296 E CA 1.447 57.930 56.400 0.139 0.000 0.800 296 E CB -0.128 29.690 29.700 0.196 0.000 0.756 296 E HN 0.460 nan 8.360 nan 0.000 0.449 297 K N 0.799 121.233 120.400 0.057 0.000 2.103 297 K HA -0.049 4.272 4.320 0.002 0.000 0.204 297 K C 1.439 178.045 176.600 0.011 0.000 1.052 297 K CA 0.706 57.003 56.287 0.017 0.000 0.945 297 K CB -0.229 32.266 32.500 -0.007 0.000 0.722 297 K HN 0.231 nan 8.250 nan 0.000 0.443 298 E N 0.912 121.127 120.200 0.026 0.000 2.261 298 E HA 0.152 4.503 4.350 0.002 0.000 0.308 298 E C -1.257 175.348 176.600 0.007 0.000 1.400 298 E CA -0.120 56.292 56.400 0.020 0.000 1.542 298 E CB -0.452 29.273 29.700 0.042 0.000 1.369 298 E HN 0.016 nan 8.360 nan 0.000 0.493 299 L N 1.765 122.970 121.223 -0.029 0.000 2.830 299 L HA 0.330 4.671 4.340 0.002 0.000 0.259 299 L C -0.734 176.068 176.870 -0.113 0.000 0.943 299 L CA 0.166 54.946 54.840 -0.099 0.000 0.997 299 L CB 1.306 43.327 42.059 -0.063 0.000 1.427 299 L HN 0.213 nan 8.230 nan 0.000 0.456 300 T N 3.012 117.473 114.554 -0.156 0.000 2.943 300 T HA 0.668 5.019 4.350 0.002 0.000 0.284 300 T C -1.913 172.680 174.700 -0.179 0.000 1.015 300 T CA -2.111 59.910 62.100 -0.132 0.000 1.042 300 T CB 0.884 69.689 68.868 -0.105 0.000 1.055 300 T HN 0.406 nan 8.240 nan 0.000 0.500 301 P HA -0.143 nan 4.420 nan 0.000 0.218 301 P C 1.823 179.020 177.300 -0.171 0.000 1.154 301 P CA 2.198 65.207 63.100 -0.152 0.000 0.872 301 P CB 0.141 31.782 31.700 -0.099 0.000 0.790 302 E N -0.308 119.802 120.200 -0.150 0.000 2.038 302 E HA -0.204 4.147 4.350 0.002 0.000 0.195 302 E C 2.339 178.808 176.600 -0.218 0.000 1.000 302 E CA 2.149 58.463 56.400 -0.143 0.000 0.803 302 E CB -1.961 27.674 29.700 -0.109 0.000 0.750 302 E HN 0.211 nan 8.360 nan 0.000 0.448 303 V N 0.864 120.594 119.914 -0.307 0.000 2.252 303 V HA -0.116 4.005 4.120 0.002 0.000 0.249 303 V C 2.875 178.493 176.094 -0.794 0.000 1.056 303 V CA 2.717 64.695 62.300 -0.536 0.000 1.022 303 V CB -0.693 30.763 31.823 -0.612 0.000 0.641 303 V HN 0.564 nan 8.190 nan 0.000 0.445 304 L N -0.844 119.985 121.223 -0.657 0.000 2.012 304 L HA -0.297 4.044 4.340 0.002 0.000 0.210 304 L C 2.780 179.505 176.870 -0.241 0.000 1.073 304 L CA 2.688 57.227 54.840 -0.502 0.000 0.748 304 L CB -0.189 41.639 42.059 -0.385 0.000 0.891 304 L HN 0.671 nan 8.230 nan 0.000 0.431 305 Q N 0.040 119.722 119.800 -0.196 0.000 2.124 305 Q HA -0.253 4.088 4.340 0.002 0.000 0.202 305 Q C 2.174 178.154 176.000 -0.033 0.000 0.977 305 Q CA 2.123 57.875 55.803 -0.084 0.000 0.850 305 Q CB -0.299 28.398 28.738 -0.067 0.000 0.901 305 Q HN 0.545 nan 8.270 nan 0.000 0.429 306 E N -1.116 119.034 120.200 -0.083 0.000 2.077 306 E HA -0.166 4.185 4.350 0.002 0.000 0.193 306 E C 1.471 178.165 176.600 0.156 0.000 0.989 306 E CA 1.529 57.931 56.400 0.002 0.000 0.800 306 E CB -0.569 29.102 29.700 -0.048 0.000 0.746 306 E HN 0.722 nan 8.360 nan 0.000 0.452 307 W N 0.608 121.895 121.300 -0.020 0.000 2.355 307 W HA 0.091 4.753 4.660 0.003 0.000 0.309 307 W C 2.452 178.958 176.519 -0.022 0.000 1.206 307 W CA 0.593 57.923 57.345 -0.024 0.000 1.284 307 W CB -1.421 28.025 29.460 -0.023 0.000 1.145 307 W HN 0.323 nan 8.180 nan 0.000 0.502 308 L N 0.044 121.399 121.223 0.221 0.000 2.187 308 L HA -0.224 4.117 4.340 0.002 0.000 0.213 308 L C 1.692 178.619 176.870 0.094 0.000 1.100 308 L CA 1.365 56.281 54.840 0.126 0.000 0.765 308 L CB -0.762 41.345 42.059 0.080 0.000 0.904 308 L HN -0.127 nan 8.230 nan 0.000 0.437 309 D N -0.298 120.157 120.400 0.092 0.000 2.317 309 D HA -0.098 4.543 4.640 0.002 0.000 0.211 309 D C 1.749 178.090 176.300 0.068 0.000 0.966 309 D CA 0.767 54.809 54.000 0.070 0.000 0.876 309 D CB 0.132 40.968 40.800 0.060 0.000 0.927 309 D HN 0.393 nan 8.370 nan 0.000 0.519 310 E N -0.236 120.014 120.200 0.083 0.000 2.474 310 E HA 0.119 4.470 4.350 0.002 0.000 0.195 310 E C 0.277 176.895 176.600 0.030 0.000 1.039 310 E CA -0.188 56.247 56.400 0.058 0.000 0.881 310 E CB 0.579 30.320 29.700 0.068 0.000 0.970 310 E HN 0.232 nan 8.360 nan 0.000 0.486 311 L N 2.561 123.807 121.223 0.038 0.000 2.490 311 L HA 0.012 4.352 4.340 0.002 0.000 0.274 311 L C 0.384 177.279 176.870 0.042 0.000 1.201 311 L CA 0.125 54.981 54.840 0.027 0.000 0.869 311 L CB 0.237 42.324 42.059 0.046 0.000 1.123 311 L HN 0.034 nan 8.230 nan 0.000 0.484 312 E N 0.384 120.617 120.200 0.055 0.000 2.272 312 E HA 0.240 4.591 4.350 0.002 0.000 0.269 312 E C -0.755 175.895 176.600 0.083 0.000 0.877 312 E CA -1.088 55.348 56.400 0.061 0.000 0.755 312 E CB 1.887 31.619 29.700 0.053 0.000 1.192 312 E HN 0.493 nan 8.360 nan 0.000 0.422 313 E N 3.066 123.298 120.200 0.054 0.000 2.415 313 E HA 0.437 4.788 4.350 0.002 0.000 0.263 313 E C 0.031 176.647 176.600 0.027 0.000 0.995 313 E CA 0.464 56.887 56.400 0.038 0.000 0.915 313 E CB 0.249 29.949 29.700 -0.000 0.000 0.951 313 E HN 0.804 nan 8.360 nan 0.000 0.449 314 M N 2.640 122.250 119.600 0.017 0.000 2.605 314 M HA 0.444 4.925 4.480 0.002 0.000 0.281 314 M C -0.929 175.338 176.300 -0.056 0.000 1.166 314 M CA -0.956 54.337 55.300 -0.011 0.000 0.875 314 M CB 1.842 34.459 32.600 0.028 0.000 1.732 314 M HN 0.373 nan 8.290 nan 0.000 0.504 315 M N 3.861 123.415 119.600 -0.077 0.000 2.238 315 M HA 0.482 4.963 4.480 0.002 0.000 0.350 315 M C -1.068 175.175 176.300 -0.096 0.000 1.321 315 M CA 0.205 55.446 55.300 -0.097 0.000 1.097 315 M CB 0.101 32.650 32.600 -0.084 0.000 1.713 315 M HN 0.760 nan 8.290 nan 0.000 0.455 316 L N 2.791 123.962 121.223 -0.087 0.000 2.720 316 L HA 0.726 5.067 4.340 0.002 0.000 0.261 316 L C -1.124 175.691 176.870 -0.092 0.000 1.046 316 L CA -1.035 53.738 54.840 -0.112 0.000 0.886 316 L CB 0.913 42.843 42.059 -0.216 0.000 1.493 316 L HN 0.235 nan 8.230 nan 0.000 0.407 317 V N 1.277 121.126 119.914 -0.108 0.000 2.370 317 V HA 0.707 4.828 4.120 0.002 0.000 0.283 317 V C -0.355 175.659 176.094 -0.134 0.000 1.023 317 V CA -0.538 61.641 62.300 -0.201 0.000 0.857 317 V CB 1.577 33.308 31.823 -0.153 0.000 0.985 317 V HN 0.579 nan 8.190 nan 0.000 0.443 318 V N 5.087 124.851 119.914 -0.249 0.000 2.384 318 V HA 0.440 4.561 4.120 0.002 0.000 0.287 318 V C -0.695 175.356 176.094 -0.070 0.000 1.020 318 V CA -0.704 61.554 62.300 -0.070 0.000 0.850 318 V CB 1.391 33.091 31.823 -0.204 0.000 0.987 318 V HN 0.901 nan 8.190 nan 0.000 0.436 319 H N 4.819 123.924 119.070 0.059 0.000 2.511 319 H HA 0.736 5.293 4.556 0.001 0.000 0.328 319 H C -0.226 175.142 175.328 0.066 0.000 1.044 319 H CA -0.272 55.829 56.048 0.088 0.000 1.212 319 H CB 1.411 31.230 29.762 0.095 0.000 1.428 319 H HN 0.666 nan 8.280 nan 0.000 0.483 320 M N 5.430 125.082 119.600 0.086 0.000 2.324 320 M HA 0.438 4.919 4.480 0.002 0.000 0.288 320 M C -3.186 173.144 176.300 0.049 0.000 1.097 320 M CA -1.946 53.373 55.300 0.032 0.000 0.928 320 M CB 2.755 35.315 32.600 -0.067 0.000 1.648 320 M HN 0.326 nan 8.290 nan 0.000 0.460 321 P HA 0.270 nan 4.420 nan 0.000 0.277 321 P C -1.657 175.861 177.300 0.363 0.000 1.240 321 P CA -0.302 62.953 63.100 0.259 0.000 0.798 321 P CB 0.615 32.484 31.700 0.282 0.000 0.979 322 R N 2.504 123.134 120.500 0.216 0.000 2.312 322 R HA 0.711 5.052 4.340 0.002 0.000 0.311 322 R C -0.531 175.898 176.300 0.215 0.000 1.004 322 R CA -0.489 55.685 56.100 0.123 0.000 0.902 322 R CB 0.381 30.698 30.300 0.028 0.000 1.073 322 R HN 0.487 nan 8.270 nan 0.000 0.457 323 F N -1.108 118.847 119.950 0.009 0.000 2.985 323 F HA 0.626 5.153 4.527 0.001 0.000 0.322 323 F C -1.424 174.345 175.800 -0.051 0.000 1.187 323 F CA -1.624 56.353 58.000 -0.039 0.000 0.910 323 F CB 1.371 40.320 39.000 -0.085 0.000 1.411 323 F HN 0.394 nan 8.300 nan 0.000 0.492 324 R N 0.872 121.419 120.500 0.077 0.000 2.604 324 R HA 0.761 5.102 4.340 0.002 0.000 0.281 324 R C -1.862 174.359 176.300 -0.132 0.000 1.020 324 R CA -0.807 55.235 56.100 -0.097 0.000 0.899 324 R CB 2.813 33.114 30.300 0.002 0.000 1.205 324 R HN 0.695 nan 8.270 nan 0.000 0.450 325 I N 1.382 121.729 120.570 -0.372 0.000 2.466 325 I HA 0.275 4.446 4.170 0.002 0.000 0.289 325 I C -0.565 175.200 176.117 -0.587 0.000 1.026 325 I CA -0.515 60.591 61.300 -0.324 0.000 1.078 325 I CB 2.328 40.244 38.000 -0.141 0.000 1.249 325 I HN 0.548 nan 8.210 nan 0.000 0.429 326 E N 5.391 125.341 120.200 -0.417 0.000 2.182 326 E HA 0.279 4.630 4.350 0.002 0.000 0.258 326 E C -1.657 174.961 176.600 0.031 0.000 0.879 326 E CA -0.530 55.696 56.400 -0.290 0.000 0.754 326 E CB 1.375 30.934 29.700 -0.235 0.000 1.162 326 E HN 0.436 nan 8.360 nan 0.000 0.419 327 D N 3.224 123.742 120.400 0.196 0.000 2.549 327 D HA 0.442 5.083 4.640 0.002 0.000 0.251 327 D C -1.059 175.473 176.300 0.387 0.000 1.153 327 D CA -0.320 53.873 54.000 0.322 0.000 0.861 327 D CB 1.506 42.560 40.800 0.423 0.000 1.207 327 D HN 0.499 nan 8.370 nan 0.000 0.543 328 G N 2.295 111.306 108.800 0.352 0.000 2.513 328 G HA2 0.705 4.666 3.960 0.002 0.000 0.317 328 G HA3 0.705 4.666 3.960 0.002 0.000 0.317 328 G C -1.086 174.050 174.900 0.393 0.000 1.277 328 G CA -0.776 44.471 45.100 0.246 0.000 0.955 328 G HN 0.358 nan 8.290 nan 0.000 0.484 329 F N -0.096 120.021 119.950 0.278 0.000 2.719 329 F HA 0.773 5.301 4.527 0.001 0.000 0.309 329 F C -0.355 175.611 175.800 0.277 0.000 1.138 329 F CA -1.567 56.584 58.000 0.252 0.000 0.943 329 F CB 1.354 40.474 39.000 0.199 0.000 1.304 329 F HN 0.528 nan 8.300 nan 0.000 0.445 330 S N 0.678 116.600 115.700 0.371 0.000 2.586 330 S HA 0.567 5.038 4.470 0.002 0.000 0.274 330 S C 0.027 174.776 174.600 0.249 0.000 1.281 330 S CA -0.427 57.833 58.200 0.100 0.000 1.035 330 S CB 1.038 64.229 63.200 -0.015 0.000 0.962 330 S HN 0.682 nan 8.310 nan 0.000 0.512 331 L N 4.333 125.649 121.223 0.154 0.000 2.638 331 L HA 0.393 4.734 4.340 0.002 0.000 0.232 331 L C 2.155 179.089 176.870 0.106 0.000 1.099 331 L CA 0.367 55.390 54.840 0.304 0.000 0.883 331 L CB -0.417 41.882 42.059 0.401 0.000 1.136 331 L HN 0.737 nan 8.230 nan 0.000 0.492 332 K N 0.514 120.829 120.400 -0.141 0.000 1.987 332 K HA -0.233 4.088 4.320 0.002 0.000 0.216 332 K C 1.876 178.236 176.600 -0.401 0.000 1.051 332 K CA 1.810 57.750 56.287 -0.579 0.000 0.942 332 K CB 0.063 32.078 32.500 -0.808 0.000 0.722 332 K HN 0.145 nan 8.250 nan 0.000 0.444 333 E N 0.662 120.722 120.200 -0.233 0.000 2.086 333 E HA -0.256 4.095 4.350 0.002 0.000 0.200 333 E C 2.191 178.723 176.600 -0.112 0.000 1.012 333 E CA 1.727 58.037 56.400 -0.151 0.000 0.812 333 E CB -0.296 29.350 29.700 -0.091 0.000 0.743 333 E HN 0.446 nan 8.360 nan 0.000 0.453 334 Q N 0.343 120.098 119.800 -0.075 0.000 2.046 334 Q HA -0.024 4.317 4.340 0.002 0.000 0.200 334 Q C 2.461 178.389 176.000 -0.120 0.000 0.975 334 Q CA 0.867 56.609 55.803 -0.102 0.000 0.836 334 Q CB -0.271 28.390 28.738 -0.128 0.000 0.896 334 Q HN 0.255 nan 8.270 nan 0.000 0.428 335 L N 0.115 121.338 121.223 -0.001 0.000 2.093 335 L HA -0.215 4.126 4.340 0.002 0.000 0.208 335 L C 2.375 179.236 176.870 -0.016 0.000 1.085 335 L CA 1.166 56.007 54.840 0.001 0.000 0.755 335 L CB -0.366 41.754 42.059 0.101 0.000 0.904 335 L HN 0.325 nan 8.230 nan 0.000 0.435 336 Q N -0.201 119.580 119.800 -0.031 0.000 2.084 336 Q HA -0.215 4.126 4.340 0.002 0.000 0.202 336 Q C 1.690 177.664 176.000 -0.043 0.000 0.978 336 Q CA 1.485 57.292 55.803 0.007 0.000 0.844 336 Q CB -0.078 28.629 28.738 -0.052 0.000 0.898 336 Q HN 0.458 nan 8.270 nan 0.000 0.426 337 D N 0.124 120.467 120.400 -0.095 0.000 2.219 337 D HA -0.103 4.538 4.640 0.002 0.000 0.205 337 D C 1.411 177.613 176.300 -0.163 0.000 0.970 337 D CA 1.109 55.055 54.000 -0.090 0.000 0.851 337 D CB 0.025 40.800 40.800 -0.041 0.000 0.943 337 D HN 0.297 nan 8.370 nan 0.000 0.488 338 M N -1.199 118.226 119.600 -0.291 0.000 2.561 338 M HA 0.152 4.633 4.480 0.002 0.000 0.238 338 M C 1.183 177.397 176.300 -0.145 0.000 1.131 338 M CA 0.582 55.698 55.300 -0.307 0.000 1.046 338 M CB 0.843 33.208 32.600 -0.391 0.000 1.532 338 M HN 0.129 nan 8.290 nan 0.000 0.497 339 G N 0.144 108.894 108.800 -0.084 0.000 2.229 339 G HA2 -0.151 3.810 3.960 0.002 0.000 0.189 339 G HA3 -0.151 3.810 3.960 0.002 0.000 0.189 339 G C -0.187 174.707 174.900 -0.009 0.000 1.000 339 G CA -0.701 44.375 45.100 -0.041 0.000 0.663 339 G HN 0.254 nan 8.290 nan 0.000 0.493 340 L N 2.921 124.152 121.223 0.013 0.000 2.401 340 L HA 0.557 4.898 4.340 0.002 0.000 0.283 340 L C 1.370 178.368 176.870 0.212 0.000 1.151 340 L CA 0.475 55.365 54.840 0.084 0.000 0.942 340 L CB 0.428 42.556 42.059 0.116 0.000 1.283 340 L HN 0.053 nan 8.230 nan 0.000 0.442 341 V N 3.289 123.282 119.914 0.131 0.000 2.599 341 V HA -0.020 4.101 4.120 0.002 0.000 0.237 341 V C 1.666 177.840 176.094 0.133 0.000 1.081 341 V CA 0.589 62.987 62.300 0.164 0.000 1.107 341 V CB -0.105 31.769 31.823 0.084 0.000 0.808 341 V HN 0.494 nan 8.190 nan 0.000 0.486 342 D N 0.763 121.195 120.400 0.052 0.000 2.133 342 D HA -0.210 4.431 4.640 0.002 0.000 0.195 342 D C 1.879 178.175 176.300 -0.007 0.000 0.997 342 D CA 1.286 55.300 54.000 0.024 0.000 0.840 342 D CB -0.384 40.422 40.800 0.009 0.000 0.947 342 D HN 0.267 nan 8.370 nan 0.000 0.452 343 L N -0.511 120.649 121.223 -0.106 0.000 2.129 343 L HA -0.153 4.188 4.340 0.002 0.000 0.212 343 L C 1.255 177.974 176.870 -0.251 0.000 1.087 343 L CA 1.576 56.264 54.840 -0.253 0.000 0.757 343 L CB -0.318 41.457 42.059 -0.474 0.000 0.896 343 L HN -0.020 nan 8.230 nan 0.000 0.434 344 F N -1.891 118.147 119.950 0.147 0.000 2.727 344 F HA 0.303 4.831 4.527 0.002 0.000 0.302 344 F C 1.288 177.147 175.800 0.098 0.000 1.097 344 F CA -0.049 58.062 58.000 0.187 0.000 1.330 344 F CB -0.422 38.656 39.000 0.131 0.000 1.084 344 F HN -0.030 nan 8.300 nan 0.000 0.578 345 S N 1.197 116.975 115.700 0.129 0.000 2.438 345 S HA 0.287 4.758 4.470 0.002 0.000 0.293 345 S C -1.679 172.788 174.600 -0.222 0.000 1.141 345 S CA -1.591 56.574 58.200 -0.058 0.000 1.080 345 S CB 1.150 64.343 63.200 -0.011 0.000 0.978 345 S HN -0.148 nan 8.310 nan 0.000 0.479 346 P HA -0.142 nan 4.420 nan 0.000 0.216 346 P C 1.140 178.333 177.300 -0.177 0.000 1.153 346 P CA 1.090 63.813 63.100 -0.629 0.000 0.858 346 P CB 0.215 31.503 31.700 -0.687 0.000 0.789 347 E N -0.451 119.670 120.200 -0.131 0.000 2.122 347 E HA -0.118 4.233 4.350 0.002 0.000 0.190 347 E C 1.715 178.299 176.600 -0.027 0.000 0.977 347 E CA 0.866 57.232 56.400 -0.056 0.000 0.820 347 E CB -0.042 29.629 29.700 -0.048 0.000 0.770 347 E HN 0.118 nan 8.360 nan 0.000 0.462 348 K N 0.453 120.837 120.400 -0.027 0.000 2.186 348 K HA 0.052 4.373 4.320 0.002 0.000 0.202 348 K C 0.975 177.580 176.600 0.007 0.000 1.052 348 K CA 0.138 56.422 56.287 -0.005 0.000 0.965 348 K CB 0.084 32.584 32.500 0.000 0.000 0.746 348 K HN -0.092 nan 8.250 nan 0.000 0.457 349 S N 1.726 117.437 115.700 0.018 0.000 2.563 349 S HA -0.036 4.435 4.470 0.002 0.000 0.294 349 S C -0.346 174.269 174.600 0.024 0.000 1.279 349 S CA 0.246 58.466 58.200 0.033 0.000 1.069 349 S CB 0.220 63.478 63.200 0.097 0.000 0.828 349 S HN 0.003 nan 8.310 nan 0.000 0.497 350 K N 5.752 126.157 120.400 0.008 0.000 2.575 350 K HA 0.348 4.669 4.320 0.002 0.000 0.236 350 K C -0.826 175.765 176.600 -0.014 0.000 0.976 350 K CA -0.143 56.145 56.287 0.002 0.000 0.985 350 K CB 1.005 33.509 32.500 0.007 0.000 1.198 350 K HN 0.623 nan 8.250 nan 0.000 0.464 351 L N 4.218 125.425 121.223 -0.027 0.000 2.960 351 L HA 0.207 4.548 4.340 0.002 0.000 0.274 351 L C -1.280 175.545 176.870 -0.074 0.000 1.327 351 L CA -1.208 53.594 54.840 -0.063 0.000 0.860 351 L CB 1.078 43.085 42.059 -0.085 0.000 1.239 351 L HN 0.164 nan 8.230 nan 0.000 0.551 352 P HA -0.158 nan 4.420 nan 0.000 0.221 352 P C 1.463 178.726 177.300 -0.061 0.000 1.145 352 P CA 1.320 64.393 63.100 -0.045 0.000 0.795 352 P CB 0.320 32.006 31.700 -0.023 0.000 0.775 353 G N -0.291 108.463 108.800 -0.077 0.000 2.534 353 G HA2 -0.106 3.855 3.960 0.002 0.000 0.217 353 G HA3 -0.106 3.855 3.960 0.002 0.000 0.217 353 G C 1.554 176.342 174.900 -0.188 0.000 1.128 353 G CA 0.220 45.274 45.100 -0.076 0.000 0.784 353 G HN 0.278 nan 8.290 nan 0.000 0.542 354 I N -0.671 119.715 120.570 -0.307 0.000 2.810 354 I HA 0.147 4.318 4.170 0.002 0.000 0.262 354 I C -0.069 175.987 176.117 -0.101 0.000 1.131 354 I CA 0.463 61.492 61.300 -0.451 0.000 1.453 354 I CB 0.579 38.246 38.000 -0.555 0.000 1.161 354 I HN -0.176 nan 8.210 nan 0.000 0.444 355 V N 1.543 121.404 119.914 -0.088 0.000 2.569 355 V HA 0.499 4.620 4.120 0.002 0.000 0.301 355 V C -0.011 176.036 176.094 -0.078 0.000 1.044 355 V CA -1.202 61.041 62.300 -0.095 0.000 0.874 355 V CB 1.532 33.275 31.823 -0.134 0.000 1.002 355 V HN 0.244 nan 8.190 nan 0.000 0.424 356 A N 3.086 125.863 122.820 -0.070 0.000 2.565 356 A HA 0.264 4.585 4.320 0.002 0.000 0.237 356 A C 0.480 178.039 177.584 -0.043 0.000 1.053 356 A CA 0.281 52.289 52.037 -0.049 0.000 0.755 356 A CB -0.010 18.965 19.000 -0.043 0.000 0.980 356 A HN 1.040 nan 8.150 nan 0.000 0.506 357 E N 1.170 121.353 120.200 -0.029 0.000 2.558 357 E HA 0.383 4.734 4.350 0.002 0.000 0.255 357 E C 0.594 177.182 176.600 -0.020 0.000 0.968 357 E CA 1.413 57.801 56.400 -0.019 0.000 0.939 357 E CB -0.025 29.668 29.700 -0.012 0.000 0.921 357 E HN 0.954 nan 8.360 nan 0.000 0.477 358 G N 3.860 112.650 108.800 -0.017 0.000 2.664 358 G HA2 0.129 4.090 3.960 0.002 0.000 0.303 358 G HA3 0.129 4.090 3.960 0.002 0.000 0.303 358 G C -0.046 174.849 174.900 -0.009 0.000 1.243 358 G CA -0.270 44.820 45.100 -0.017 0.000 0.826 358 G HN 0.375 nan 8.290 nan 0.000 0.498 359 R N 0.384 120.878 120.500 -0.010 0.000 2.092 359 R HA 0.044 4.385 4.340 0.002 0.000 0.231 359 R C -0.302 176.001 176.300 0.005 0.000 1.119 359 R CA 0.785 56.883 56.100 -0.003 0.000 0.970 359 R CB -0.921 29.377 30.300 -0.005 0.000 0.864 359 R HN 0.394 nan 8.270 nan 0.000 0.440 360 D N 2.659 123.060 120.400 0.001 0.000 2.350 360 D HA 0.130 4.771 4.640 0.002 0.000 0.249 360 D C -0.461 175.861 176.300 0.037 0.000 1.119 360 D CA 0.035 54.045 54.000 0.016 0.000 0.886 360 D CB 0.963 41.760 40.800 -0.006 0.000 1.195 360 D HN 0.036 nan 8.370 nan 0.000 0.437 361 D N 1.418 121.868 120.400 0.083 0.000 2.256 361 D HA 0.240 4.881 4.640 0.002 0.000 0.250 361 D C -0.196 176.218 176.300 0.190 0.000 1.093 361 D CA -0.372 53.711 54.000 0.137 0.000 0.882 361 D CB 1.706 42.610 40.800 0.174 0.000 1.185 361 D HN 0.093 nan 8.370 nan 0.000 0.437 362 L N 4.330 125.649 121.223 0.161 0.000 2.342 362 L HA 0.369 4.710 4.340 0.002 0.000 0.276 362 L C -1.548 175.421 176.870 0.165 0.000 0.997 362 L CA -0.608 54.293 54.840 0.102 0.000 0.838 362 L CB 0.561 42.636 42.059 0.027 0.000 1.224 362 L HN 0.337 nan 8.230 nan 0.000 0.416 363 Y N 2.648 122.958 120.300 0.016 0.000 2.625 363 Y HA 0.756 5.306 4.550 0.001 0.000 0.338 363 Y C -1.306 174.609 175.900 0.025 0.000 1.123 363 Y CA -1.672 56.430 58.100 0.004 0.000 1.046 363 Y CB 0.893 39.370 38.460 0.029 0.000 1.299 363 Y HN 0.095 nan 8.280 nan 0.000 0.464 364 V N 2.779 122.714 119.914 0.036 0.000 2.408 364 V HA 0.126 4.247 4.120 0.002 0.000 0.267 364 V C 0.572 176.801 176.094 0.225 0.000 1.047 364 V CA 0.406 62.722 62.300 0.027 0.000 0.937 364 V CB 0.652 32.487 31.823 0.021 0.000 0.999 364 V HN 1.040 nan 8.190 nan 0.000 0.472 365 S N 2.933 118.626 115.700 -0.012 0.000 2.371 365 S HA -0.021 4.450 4.470 0.002 0.000 0.224 365 S C 0.581 175.267 174.600 0.143 0.000 1.029 365 S CA 0.967 59.218 58.200 0.083 0.000 0.978 365 S CB -0.040 63.112 63.200 -0.081 0.000 0.833 365 S HN 0.929 nan 8.310 nan 0.000 0.466 366 D N -1.966 118.488 120.400 0.090 0.000 2.755 366 D HA 0.518 5.159 4.640 0.002 0.000 0.277 366 D C -1.982 174.244 176.300 -0.124 0.000 1.261 366 D CA -0.285 53.668 54.000 -0.078 0.000 0.759 366 D CB 1.626 42.202 40.800 -0.374 0.000 1.279 366 D HN 0.154 nan 8.370 nan 0.000 0.420 367 A N 1.119 123.790 122.820 -0.248 0.000 2.356 367 A HA 0.746 5.067 4.320 0.002 0.000 0.310 367 A C -1.556 175.832 177.584 -0.326 0.000 1.075 367 A CA -0.491 51.498 52.037 -0.080 0.000 0.746 367 A CB 0.664 19.843 19.000 0.298 0.000 1.221 367 A HN 0.263 nan 8.150 nan 0.000 0.443 368 F N 1.049 121.089 119.950 0.150 0.000 2.507 368 F HA 0.541 5.070 4.527 0.002 0.000 0.325 368 F C 0.169 176.014 175.800 0.075 0.000 1.116 368 F CA -0.207 57.849 58.000 0.092 0.000 0.930 368 F CB 2.098 41.141 39.000 0.072 0.000 1.146 368 F HN 0.770 nan 8.300 nan 0.000 0.447 369 H N 2.377 121.410 119.070 -0.063 0.000 2.622 369 H HA 0.635 5.192 4.556 0.002 0.000 0.363 369 H C -1.355 173.837 175.328 -0.227 0.000 1.151 369 H CA -1.019 54.914 56.048 -0.192 0.000 1.184 369 H CB 1.769 31.266 29.762 -0.442 0.000 1.643 369 H HN 0.627 nan 8.280 nan 0.000 0.531 370 K N 3.381 123.494 120.400 -0.478 0.000 2.615 370 K HA 0.695 5.016 4.320 0.002 0.000 0.249 370 K C -2.028 174.471 176.600 -0.169 0.000 0.977 370 K CA -0.597 55.581 56.287 -0.183 0.000 0.833 370 K CB 1.210 33.715 32.500 0.009 0.000 1.208 370 K HN 0.663 nan 8.250 nan 0.000 0.443 371 A N 3.538 126.401 122.820 0.072 0.000 2.365 371 A HA 0.784 5.105 4.320 0.002 0.000 0.318 371 A C -1.848 176.072 177.584 0.559 0.000 1.091 371 A CA -0.578 51.657 52.037 0.330 0.000 0.763 371 A CB 0.806 20.031 19.000 0.374 0.000 1.248 371 A HN 0.596 nan 8.150 nan 0.000 0.442 372 F N 2.146 122.343 119.950 0.411 0.000 2.507 372 F HA 0.634 5.162 4.527 0.001 0.000 0.328 372 F C -1.172 174.556 175.800 -0.120 0.000 1.136 372 F CA -1.192 56.937 58.000 0.216 0.000 0.930 372 F CB 1.910 41.089 39.000 0.298 0.000 1.166 372 F HN 0.503 nan 8.300 nan 0.000 0.436 373 L N 5.567 126.554 121.223 -0.394 0.000 2.322 373 L HA 0.587 4.928 4.340 0.002 0.000 0.281 373 L C -1.163 175.484 176.870 -0.372 0.000 1.014 373 L CA -0.202 54.198 54.840 -0.734 0.000 0.815 373 L CB 1.691 42.758 42.059 -1.653 0.000 1.247 373 L HN 0.710 nan 8.230 nan 0.000 0.421 374 E N 3.637 123.635 120.200 -0.336 0.000 2.224 374 E HA 0.615 4.966 4.350 0.002 0.000 0.265 374 E C -1.918 174.458 176.600 -0.374 0.000 0.878 374 E CA -0.674 55.583 56.400 -0.239 0.000 0.759 374 E CB 1.891 31.572 29.700 -0.032 0.000 1.164 374 E HN 0.517 nan 8.360 nan 0.000 0.414 375 V N 5.330 124.944 119.914 -0.499 0.000 2.444 375 V HA 0.433 4.554 4.120 0.002 0.000 0.294 375 V C -0.394 175.582 176.094 -0.198 0.000 1.022 375 V CA -0.682 61.379 62.300 -0.398 0.000 0.850 375 V CB 1.274 32.710 31.823 -0.644 0.000 0.992 375 V HN 0.820 nan 8.190 nan 0.000 0.426 376 N N 2.985 121.673 118.700 -0.021 0.000 3.479 376 N HA 0.384 5.125 4.740 0.002 0.000 0.336 376 N C 0.281 175.959 175.510 0.281 0.000 1.623 376 N CA -0.834 52.259 53.050 0.070 0.000 0.759 376 N CB 0.941 39.445 38.487 0.028 0.000 2.016 376 N HN 0.223 nan 8.380 nan 0.000 0.637 377 E N -0.420 119.929 120.200 0.249 0.000 2.285 377 E HA 0.073 4.424 4.350 0.002 0.000 0.194 377 E C -0.462 176.429 176.600 0.484 0.000 0.997 377 E CA 0.432 57.081 56.400 0.415 0.000 0.845 377 E CB -0.077 29.790 29.700 0.277 0.000 0.782 377 E HN 0.422 nan 8.360 nan 0.000 0.491 378 E N 0.753 121.122 120.200 0.282 0.000 2.481 378 E HA 0.285 4.636 4.350 0.002 0.000 0.263 378 E C 0.603 177.349 176.600 0.243 0.000 0.992 378 E CA 0.821 57.339 56.400 0.197 0.000 0.938 378 E CB 0.699 30.439 29.700 0.067 0.000 0.933 378 E HN 0.238 nan 8.360 nan 0.000 0.453 379 G N 0.927 109.850 108.800 0.206 0.000 2.333 379 G HA2 0.126 4.087 3.960 0.002 0.000 0.288 379 G HA3 0.126 4.087 3.960 0.002 0.000 0.288 379 G C -0.998 174.002 174.900 0.167 0.000 1.286 379 G CA -0.740 44.492 45.100 0.220 0.000 0.865 379 G HN 0.369 nan 8.290 nan 0.000 0.506 380 S N 0.860 116.658 115.700 0.163 0.000 2.584 380 S HA 0.460 4.931 4.470 0.002 0.000 0.273 380 S C 0.038 174.695 174.600 0.095 0.000 1.311 380 S CA -0.583 57.682 58.200 0.108 0.000 1.034 380 S CB 1.220 64.477 63.200 0.095 0.000 0.939 380 S HN 0.477 nan 8.310 nan 0.000 0.513 381 E N 1.663 121.901 120.200 0.064 0.000 2.413 381 E HA 0.166 4.517 4.350 0.002 0.000 0.263 381 E C 0.282 176.895 176.600 0.023 0.000 1.015 381 E CA -0.121 56.306 56.400 0.044 0.000 0.916 381 E CB 0.485 30.205 29.700 0.033 0.000 0.947 381 E HN 0.700 nan 8.360 nan 0.000 0.440 382 A N 2.403 125.223 122.820 0.000 0.000 2.540 382 A HA 0.274 4.595 4.320 0.002 0.000 0.239 382 A C 0.404 177.969 177.584 -0.032 0.000 1.061 382 A CA 0.377 52.393 52.037 -0.035 0.000 0.758 382 A CB 0.142 19.102 19.000 -0.066 0.000 0.991 382 A HN 0.617 nan 8.150 nan 0.000 0.502 383 A N 2.258 125.052 122.820 -0.043 0.000 2.488 383 A HA 0.522 4.843 4.320 0.002 0.000 0.249 383 A C 0.898 178.457 177.584 -0.042 0.000 1.083 383 A CA 0.255 52.271 52.037 -0.036 0.000 0.768 383 A CB -0.283 18.693 19.000 -0.040 0.000 1.017 383 A HN 2.190 nan 8.150 nan 0.000 0.496 384 A N 2.807 125.610 122.820 -0.029 0.000 2.488 384 A HA 0.473 4.794 4.320 0.002 0.000 0.249 384 A C 0.787 178.351 177.584 -0.033 0.000 1.083 384 A CA 0.373 52.393 52.037 -0.028 0.000 0.768 384 A CB -0.029 18.960 19.000 -0.018 0.000 1.017 384 A HN 1.235 nan 8.150 nan 0.000 0.496 385 S N 1.318 116.995 115.700 -0.038 0.000 2.489 385 S HA 0.389 4.859 4.470 0.002 0.000 0.277 385 S C 0.996 175.579 174.600 -0.029 0.000 1.230 385 S CA 0.119 58.295 58.200 -0.039 0.000 1.053 385 S CB 0.173 63.344 63.200 -0.048 0.000 0.955 385 S HN 1.079 nan 8.310 nan 0.000 0.488 386 T N 2.186 116.724 114.554 -0.026 0.000 3.258 386 T HA 0.543 4.894 4.350 0.002 0.000 0.263 386 T C 0.092 174.781 174.700 -0.019 0.000 0.983 386 T CA -0.419 61.669 62.100 -0.020 0.000 0.907 386 T CB -0.001 68.857 68.868 -0.017 0.000 1.096 386 T HN 0.613 nan 8.240 nan 0.000 0.556 387 A N 1.264 124.071 122.820 -0.022 0.000 2.260 387 A HA 0.636 4.957 4.320 0.002 0.000 0.312 387 A C 0.219 177.792 177.584 -0.018 0.000 1.321 387 A CA -0.627 51.398 52.037 -0.020 0.000 0.928 387 A CB 0.425 19.410 19.000 -0.025 0.000 1.158 387 A HN 0.433 nan 8.150 nan 0.000 0.542 388 V N 4.008 123.913 119.914 -0.014 0.000 2.390 388 V HA 0.258 4.379 4.120 0.002 0.000 0.260 388 V C 0.239 176.326 176.094 -0.012 0.000 1.043 388 V CA 0.441 62.734 62.300 -0.012 0.000 1.047 388 V CB 0.125 31.942 31.823 -0.010 0.000 1.066 388 V HN 0.703 nan 8.190 nan 0.000 0.481 389 V N 7.047 126.953 119.914 -0.013 0.000 2.888 389 V HA 0.540 4.661 4.120 0.002 0.000 0.309 389 V C -0.331 175.757 176.094 -0.010 0.000 1.114 389 V CA -0.698 61.595 62.300 -0.012 0.000 0.940 389 V CB 2.441 34.255 31.823 -0.015 0.000 1.021 389 V HN 0.676 nan 8.190 nan 0.000 0.426 390 I N 5.015 125.579 120.570 -0.009 0.000 2.529 390 I HA 0.525 4.696 4.170 0.002 0.000 0.284 390 I C 0.559 176.672 176.117 -0.007 0.000 1.082 390 I CA 0.186 61.482 61.300 -0.007 0.000 1.406 390 I CB 1.524 39.521 38.000 -0.006 0.000 1.405 390 I HN 0.803 nan 8.210 nan 0.000 0.548 391 A N 5.653 128.470 122.820 -0.006 0.000 2.323 391 A HA 0.634 4.955 4.320 0.002 0.000 0.305 391 A C 0.233 177.815 177.584 -0.003 0.000 1.275 391 A CA -0.521 51.513 52.037 -0.006 0.000 0.804 391 A CB 0.660 19.657 19.000 -0.006 0.000 1.152 391 A HN 0.838 nan 8.150 nan 0.000 0.487 392 G N 0.839 109.638 108.800 -0.002 0.000 2.554 392 G HA2 0.327 4.288 3.960 0.002 0.000 0.238 392 G HA3 0.327 4.288 3.960 0.002 0.000 0.238 392 G C 0.437 175.338 174.900 0.002 0.000 1.259 392 G CA -0.531 44.568 45.100 -0.000 0.000 0.843 392 G HN 0.791 nan 8.290 nan 0.000 0.582 393 R N 0.326 120.828 120.500 0.003 0.000 2.391 393 R HA 0.139 4.480 4.340 0.002 0.000 0.249 393 R C 1.246 177.550 176.300 0.008 0.000 0.957 393 R CA -0.090 56.014 56.100 0.005 0.000 1.093 393 R CB 0.301 30.604 30.300 0.004 0.000 1.156 393 R HN 0.430 nan 8.270 nan 0.000 0.526 394 S N -0.112 115.592 115.700 0.007 0.000 2.617 394 S HA 0.144 4.615 4.470 0.002 0.000 0.269 394 S C 1.222 175.830 174.600 0.014 0.000 1.292 394 S CA -0.634 57.572 58.200 0.010 0.000 1.010 394 S CB 0.963 64.167 63.200 0.007 0.000 0.944 394 S HN 0.273 nan 8.310 nan 0.000 0.536 395 L N 2.518 123.753 121.223 0.019 0.000 2.313 395 L HA 0.075 4.416 4.340 0.002 0.000 0.214 395 L C 0.448 177.333 176.870 0.024 0.000 1.119 395 L CA 0.714 55.571 54.840 0.028 0.000 0.809 395 L CB -0.595 41.487 42.059 0.038 0.000 0.933 395 L HN 0.960 nan 8.230 nan 0.000 0.449 396 N N -0.678 118.032 118.700 0.017 0.000 2.596 396 N HA -0.089 4.652 4.740 0.002 0.000 0.274 396 N C -1.744 173.773 175.510 0.013 0.000 1.258 396 N CA 0.282 53.339 53.050 0.011 0.000 0.636 396 N CB -0.337 38.154 38.487 0.006 0.000 0.928 396 N HN 0.051 nan 8.380 nan 0.000 0.540 397 P HA -0.070 nan 4.420 nan 0.000 0.231 397 P C 0.251 177.555 177.300 0.007 0.000 1.158 397 P CA 0.845 63.952 63.100 0.011 0.000 0.763 397 P CB 0.220 31.925 31.700 0.009 0.000 0.805 398 N N 0.022 118.725 118.700 0.004 0.000 2.230 398 N HA 0.035 4.776 4.740 0.002 0.000 0.202 398 N C 0.938 176.446 175.510 -0.003 0.000 1.119 398 N CA -0.085 52.966 53.050 0.002 0.000 0.851 398 N CB 0.150 38.639 38.487 0.002 0.000 0.990 398 N HN 0.428 nan 8.380 nan 0.000 0.497 399 R N -0.089 120.409 120.500 -0.004 0.000 2.738 399 R HA 0.290 4.631 4.340 0.002 0.000 0.268 399 R C -0.203 176.079 176.300 -0.030 0.000 1.062 399 R CA -0.253 55.837 56.100 -0.016 0.000 1.158 399 R CB 0.496 30.791 30.300 -0.008 0.000 1.046 399 R HN -0.315 nan 8.270 nan 0.000 0.493 400 V N 2.007 121.881 119.914 -0.067 0.000 2.432 400 V HA 0.229 4.350 4.120 0.002 0.000 0.275 400 V C -0.136 175.887 176.094 -0.119 0.000 1.043 400 V CA -0.196 62.031 62.300 -0.121 0.000 0.925 400 V CB 1.428 33.099 31.823 -0.255 0.000 0.985 400 V HN 0.883 nan 8.190 nan 0.000 0.466 401 T N 5.598 120.109 114.554 -0.072 0.000 2.848 401 T HA 0.478 4.828 4.350 0.002 0.000 0.285 401 T C -0.862 173.857 174.700 0.031 0.000 0.995 401 T CA -0.196 61.900 62.100 -0.006 0.000 0.970 401 T CB 1.163 70.042 68.868 0.018 0.000 0.976 401 T HN 0.432 nan 8.240 nan 0.000 0.441 402 F N 3.825 123.730 119.950 -0.075 0.000 2.359 402 F HA 0.489 5.017 4.527 0.001 0.000 0.369 402 F C 0.118 175.910 175.800 -0.012 0.000 1.084 402 F CA -0.902 57.070 58.000 -0.048 0.000 1.096 402 F CB 0.559 39.517 39.000 -0.070 0.000 1.335 402 F HN 0.329 nan 8.300 nan 0.000 0.457 403 K N 5.148 125.409 120.400 -0.231 0.000 2.347 403 K HA 0.613 4.934 4.320 0.002 0.000 0.262 403 K C -0.472 175.943 176.600 -0.310 0.000 1.052 403 K CA -0.489 55.665 56.287 -0.222 0.000 0.946 403 K CB 0.903 33.171 32.500 -0.386 0.000 1.220 403 K HN 0.632 nan 8.250 nan 0.000 0.450 404 A N 4.761 127.450 122.820 -0.218 0.000 3.063 404 A HA 0.063 4.384 4.320 0.002 0.000 0.263 404 A C 0.105 177.680 177.584 -0.016 0.000 1.736 404 A CA -0.542 51.343 52.037 -0.255 0.000 1.408 404 A CB -0.622 18.098 19.000 -0.466 0.000 1.108 404 A HN 0.863 nan 8.150 nan 0.000 0.621 405 N N 1.045 119.655 118.700 -0.149 0.000 2.273 405 N HA 0.086 4.827 4.740 0.002 0.000 0.231 405 N C -0.024 174.978 175.510 -0.847 0.000 1.134 405 N CA -0.338 52.545 53.050 -0.278 0.000 0.856 405 N CB 0.018 38.395 38.487 -0.183 0.000 1.068 405 N HN 0.739 nan 8.380 nan 0.000 0.510 406 R N -2.003 118.054 120.500 -0.738 0.000 2.764 406 R HA 0.588 4.929 4.340 0.002 0.000 0.270 406 R C -3.304 172.910 176.300 -0.144 0.000 1.014 406 R CA -1.762 53.907 56.100 -0.719 0.000 0.904 406 R CB 0.070 30.212 30.300 -0.263 0.000 1.236 406 R HN -0.226 nan 8.270 nan 0.000 0.466 407 P HA -0.068 nan 4.420 nan 0.000 0.261 407 P C -1.239 176.209 177.300 0.247 0.000 1.165 407 P CA 0.538 63.764 63.100 0.211 0.000 0.759 407 P CB 0.061 31.827 31.700 0.109 0.000 0.772 408 F N 0.913 120.923 119.950 0.101 0.000 2.645 408 F HA 0.631 5.158 4.527 0.001 0.000 0.310 408 F C -1.515 174.331 175.800 0.077 0.000 1.102 408 F CA -1.595 56.460 58.000 0.091 0.000 0.952 408 F CB 0.806 39.884 39.000 0.130 0.000 1.326 408 F HN -0.050 nan 8.300 nan 0.000 0.456 409 L N 2.815 124.183 121.223 0.242 0.000 2.379 409 L HA 0.824 5.165 4.340 0.002 0.000 0.269 409 L C -0.375 176.559 176.870 0.108 0.000 1.084 409 L CA -1.386 53.472 54.840 0.031 0.000 0.802 409 L CB 1.757 43.797 42.059 -0.032 0.000 1.175 409 L HN 0.733 nan 8.230 nan 0.000 0.448 410 V N -1.027 118.812 119.914 -0.126 0.000 2.789 410 V HA 0.648 4.769 4.120 0.002 0.000 0.311 410 V C -1.126 174.808 176.094 -0.266 0.000 1.073 410 V CA -0.686 61.642 62.300 0.046 0.000 0.921 410 V CB 1.919 33.907 31.823 0.274 0.000 1.009 410 V HN 0.478 nan 8.190 nan 0.000 0.426 411 F N 3.657 123.775 119.950 0.280 0.000 2.569 411 F HA 0.751 5.280 4.527 0.002 0.000 0.312 411 F C -0.487 175.477 175.800 0.273 0.000 1.109 411 F CA -0.897 57.245 58.000 0.237 0.000 0.919 411 F CB 2.334 41.436 39.000 0.170 0.000 1.211 411 F HN 0.326 nan 8.300 nan 0.000 0.446 412 I N 3.946 124.802 120.570 0.477 0.000 2.382 412 I HA 0.492 4.663 4.170 0.002 0.000 0.286 412 I C -0.292 176.024 176.117 0.331 0.000 1.002 412 I CA -0.621 60.922 61.300 0.406 0.000 1.135 412 I CB 1.493 39.704 38.000 0.352 0.000 1.288 412 I HN 0.720 nan 8.210 nan 0.000 0.448 413 R N 3.878 124.555 120.500 0.295 0.000 2.888 413 R HA 0.672 5.013 4.340 0.002 0.000 0.264 413 R C -0.648 175.778 176.300 0.211 0.000 1.045 413 R CA -0.877 55.353 56.100 0.217 0.000 0.962 413 R CB 2.162 32.566 30.300 0.174 0.000 1.210 413 R HN 0.375 nan 8.270 nan 0.000 0.479 414 E N 1.488 121.789 120.200 0.169 0.000 2.113 414 E HA 0.132 4.483 4.350 0.002 0.000 0.273 414 E C 0.533 177.216 176.600 0.138 0.000 0.924 414 E CA -0.470 56.026 56.400 0.159 0.000 0.764 414 E CB 1.922 31.707 29.700 0.141 0.000 1.104 414 E HN 0.561 nan 8.360 nan 0.000 0.406 415 V N 6.820 126.812 119.914 0.131 0.000 2.233 415 V HA -0.201 3.920 4.120 0.002 0.000 0.247 415 V C -0.975 175.171 176.094 0.087 0.000 1.050 415 V CA 1.946 64.310 62.300 0.107 0.000 1.010 415 V CB -1.389 30.493 31.823 0.099 0.000 0.637 415 V HN 0.606 nan 8.190 nan 0.000 0.444 416 P HA -0.172 nan 4.420 nan 0.000 0.214 416 P C 1.879 179.208 177.300 0.047 0.000 1.169 416 P CA 1.430 64.551 63.100 0.035 0.000 0.908 416 P CB -0.104 31.608 31.700 0.021 0.000 0.791 417 L N -1.605 119.674 121.223 0.092 0.000 2.217 417 L HA 0.054 4.395 4.340 0.002 0.000 0.211 417 L C 0.541 177.547 176.870 0.226 0.000 1.107 417 L CA 1.439 56.386 54.840 0.179 0.000 0.783 417 L CB -1.096 41.072 42.059 0.182 0.000 0.919 417 L HN 0.053 nan 8.230 nan 0.000 0.442 418 N N -0.814 117.980 118.700 0.157 0.000 2.818 418 N HA -0.151 4.590 4.740 0.002 0.000 0.250 418 N C -0.088 175.493 175.510 0.118 0.000 1.108 418 N CA 0.980 54.109 53.050 0.131 0.000 0.745 418 N CB -1.793 36.777 38.487 0.139 0.000 1.104 418 N HN 0.297 nan 8.380 nan 0.000 0.557 419 T N 1.433 116.065 114.554 0.131 0.000 2.870 419 T HA 0.293 4.644 4.350 0.002 0.000 0.300 419 T C 1.239 176.005 174.700 0.109 0.000 0.989 419 T CA -0.007 62.164 62.100 0.119 0.000 1.139 419 T CB 1.062 70.004 68.868 0.123 0.000 0.920 419 T HN 0.100 nan 8.240 nan 0.000 0.537 420 I N 4.569 125.201 120.570 0.103 0.000 2.269 420 I HA 0.175 4.346 4.170 0.002 0.000 0.293 420 I C 1.214 177.381 176.117 0.084 0.000 1.106 420 I CA -0.178 61.195 61.300 0.123 0.000 1.248 420 I CB 0.269 38.347 38.000 0.129 0.000 1.444 420 I HN 0.711 nan 8.210 nan 0.000 0.497 421 I N 5.095 125.682 120.570 0.029 0.000 2.333 421 I HA -0.033 4.138 4.170 0.002 0.000 0.246 421 I C 0.170 175.998 176.117 -0.481 0.000 1.106 421 I CA 1.265 62.425 61.300 -0.233 0.000 1.411 421 I CB 0.051 37.881 38.000 -0.284 0.000 1.082 421 I HN 0.289 nan 8.210 nan 0.000 0.420 422 F N 0.569 120.551 119.950 0.053 0.000 2.599 422 F HA 0.599 5.128 4.527 0.002 0.000 0.311 422 F C -0.144 175.698 175.800 0.069 0.000 1.076 422 F CA -0.979 56.992 58.000 -0.048 0.000 0.937 422 F CB 1.759 40.692 39.000 -0.113 0.000 1.282 422 F HN -0.216 nan 8.300 nan 0.000 0.460 423 M N 0.952 120.661 119.600 0.181 0.000 2.520 423 M HA 0.983 5.464 4.480 0.002 0.000 0.283 423 M C -1.025 175.324 176.300 0.082 0.000 1.237 423 M CA -0.477 54.871 55.300 0.080 0.000 0.885 423 M CB 2.558 35.224 32.600 0.110 0.000 1.727 423 M HN 0.759 nan 8.290 nan 0.000 0.468 424 G N 1.053 109.846 108.800 -0.010 0.000 2.489 424 G HA2 0.631 4.592 3.960 0.002 0.000 0.305 424 G HA3 0.631 4.592 3.960 0.002 0.000 0.305 424 G C -2.410 172.521 174.900 0.052 0.000 1.311 424 G CA -1.026 44.198 45.100 0.206 0.000 0.813 424 G HN 0.955 nan 8.290 nan 0.000 0.480 425 R N -0.440 120.107 120.500 0.078 0.000 2.533 425 R HA 0.576 4.916 4.340 0.002 0.000 0.288 425 R C -1.640 174.532 176.300 -0.213 0.000 1.039 425 R CA -0.534 55.530 56.100 -0.060 0.000 0.909 425 R CB 2.210 32.534 30.300 0.041 0.000 1.195 425 R HN 0.387 nan 8.270 nan 0.000 0.438 426 V N 4.912 124.522 119.914 -0.507 0.000 2.288 426 V HA 0.318 4.439 4.120 0.002 0.000 0.266 426 V C 0.743 176.545 176.094 -0.487 0.000 1.048 426 V CA 0.117 61.968 62.300 -0.749 0.000 0.842 426 V CB 0.757 31.666 31.823 -1.524 0.000 1.064 426 V HN 0.989 nan 8.190 nan 0.000 0.472 427 A N 4.146 126.796 122.820 -0.283 0.000 2.063 427 A HA 0.244 4.565 4.320 0.002 0.000 0.211 427 A C 0.962 178.483 177.584 -0.105 0.000 1.177 427 A CA 0.486 52.467 52.037 -0.093 0.000 0.759 427 A CB 0.093 19.056 19.000 -0.061 0.000 0.857 427 A HN 0.632 nan 8.150 nan 0.000 0.468 428 N N -0.692 117.807 118.700 -0.335 0.000 2.629 428 N HA 0.208 4.949 4.740 0.002 0.000 0.277 428 N C -2.904 172.289 175.510 -0.529 0.000 1.188 428 N CA -1.190 51.600 53.050 -0.434 0.000 0.835 428 N CB 1.815 40.186 38.487 -0.193 0.000 1.420 428 N HN -0.053 nan 8.380 nan 0.000 0.542 429 P HA 0.206 nan 4.420 nan 0.000 0.255 429 P C 0.054 177.199 177.300 -0.259 0.000 1.248 429 P CA 0.013 62.798 63.100 -0.525 0.000 0.807 429 P CB 0.132 31.431 31.700 -0.667 0.000 1.150 430 c N 0.127 118.562 118.600 -0.275 0.000 2.580 430 c HA 0.583 5.154 4.570 0.002 0.000 0.371 430 c C 1.336 175.382 174.090 -0.074 0.000 1.308 430 c CA -0.473 55.776 56.329 -0.132 0.000 2.428 430 c CB 0.427 42.872 42.510 -0.109 0.000 2.529 430 c HN 0.199 nan 8.230 nan 0.000 0.657 431 V N 0.000 119.893 119.914 -0.034 0.000 2.409 431 V HA 0.000 4.121 4.120 0.002 0.000 0.244 431 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 431 V CB 0.000 31.825 31.823 0.004 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556