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 3a12_1_H DATA FIRST_RESID 8 DATA SEQUENCE IYDYYVDKGY EPSKKRDIIA VFRVTPAEGY TIEQAAGAVA AESSTGTWTT DATA SEQUENCE LYPWYEQERW ADLSAKAYDF HDMGDGSWIV RIAYPFHAFE EANLPGLLAS DATA SEQUENCE IAGNIFGMKR VKGLRLEDLY FPEKLIREFD GPAFGIEGVR KMLEIKDRPI DATA SEQUENCE YGVVPKPKVG YSPEEFEKLA YDLLSNGADY MXDDENLTSP WYNRFEERAE DATA SEQUENCE IMAKIIDKVE NETGEKKTWF ANITADLLEM EQRLEVLADL GLKHAMVDVV DATA SEQUENCE ITGWGALRYI RDLAADYGLA IHGHRAMHAA FTRNPYHGIS MFVLAKLYRL DATA SEQUENCE IGIDQLHVGT AGAGKLEGGK WDVIQNARIL RESHYKPDEN DVFHLEQKFY DATA SEQUENCE SIKAAFPTSS GGLHPGNIQP VIEALGTDIV LQLGGGTLGH PDGPAAGARA DATA SEQUENCE VRQAIDAIMQ GIPLDEYAKT HKELARALEK WGHVTPV 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 8 I HA 0.000 nan 4.170 nan 0.000 0.288 8 I C 0.000 176.195 176.117 0.130 0.000 1.063 8 I CA 0.000 61.314 61.300 0.024 0.000 1.566 8 I CB 0.000 37.947 38.000 -0.089 0.000 1.214 9 Y N 1.030 121.467 120.300 0.227 0.000 2.462 9 Y HA 0.361 4.911 4.550 -0.001 0.000 0.261 9 Y C 2.315 178.418 175.900 0.338 0.000 1.146 9 Y CA 0.778 59.048 58.100 0.284 0.000 1.283 9 Y CB -0.491 38.056 38.460 0.145 0.000 1.090 9 Y HN 0.588 nan 8.280 nan 0.000 0.526 10 D N -0.954 119.675 120.400 0.382 0.000 2.310 10 D HA -0.241 4.398 4.640 -0.001 0.000 0.212 10 D C 1.732 178.176 176.300 0.241 0.000 0.965 10 D CA 0.865 55.022 54.000 0.262 0.000 0.879 10 D CB -0.902 40.000 40.800 0.171 0.000 0.921 10 D HN 0.508 nan 8.370 nan 0.000 0.510 11 Y N -0.409 119.991 120.300 0.168 0.000 2.333 11 Y HA -0.124 4.426 4.550 -0.001 0.000 0.290 11 Y C 1.395 177.203 175.900 -0.152 0.000 1.144 11 Y CA 1.446 59.534 58.100 -0.020 0.000 1.228 11 Y CB -0.157 38.248 38.460 -0.091 0.000 0.985 11 Y HN 0.361 nan 8.280 nan 0.000 0.542 12 Y N -1.013 119.334 120.300 0.079 0.000 2.490 12 Y HA 0.200 4.750 4.550 -0.001 0.000 0.281 12 Y C 0.368 176.227 175.900 -0.069 0.000 1.174 12 Y CA -0.253 57.824 58.100 -0.040 0.000 1.295 12 Y CB 0.139 38.640 38.460 0.069 0.000 1.062 12 Y HN -0.242 nan 8.280 nan 0.000 0.522 13 V N 1.462 121.424 119.914 0.079 0.000 2.432 13 V HA 0.176 4.295 4.120 -0.001 0.000 0.275 13 V C -0.554 175.549 176.094 0.015 0.000 1.043 13 V CA -0.345 62.018 62.300 0.105 0.000 0.925 13 V CB 1.351 33.249 31.823 0.125 0.000 0.985 13 V HN 0.085 nan 8.190 nan 0.000 0.466 14 D N 3.749 124.200 120.400 0.084 0.000 2.381 14 D HA 0.255 4.894 4.640 -0.001 0.000 0.245 14 D C 0.623 177.044 176.300 0.202 0.000 1.297 14 D CA -0.469 53.569 54.000 0.063 0.000 0.931 14 D CB 1.190 41.969 40.800 -0.034 0.000 1.334 14 D HN 0.435 nan 8.370 nan 0.000 0.535 15 K N 0.517 121.018 120.400 0.169 0.000 2.504 15 K HA 0.100 4.420 4.320 -0.001 0.000 0.195 15 K C 1.691 178.399 176.600 0.182 0.000 1.036 15 K CA 0.597 57.011 56.287 0.212 0.000 0.984 15 K CB 0.506 33.066 32.500 0.101 0.000 0.788 15 K HN 0.308 nan 8.250 nan 0.000 0.488 16 G N 0.051 108.935 108.800 0.140 0.000 2.880 16 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.209 16 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.209 16 G C -0.141 174.830 174.900 0.119 0.000 1.157 16 G CA -0.209 44.954 45.100 0.105 0.000 0.779 16 G HN 0.180 nan 8.290 nan 0.000 0.539 17 Y N 1.439 121.757 120.300 0.030 0.000 2.377 17 Y HA 0.484 5.034 4.550 -0.001 0.000 0.330 17 Y C -0.245 175.589 175.900 -0.110 0.000 1.108 17 Y CA -1.180 56.891 58.100 -0.049 0.000 1.308 17 Y CB 1.006 39.418 38.460 -0.079 0.000 1.216 17 Y HN 0.005 nan 8.280 nan 0.000 0.518 18 E N 8.089 127.779 120.200 -0.851 0.000 2.151 18 E HA 0.416 4.765 4.350 -0.001 0.000 0.275 18 E C -2.693 173.202 176.600 -1.174 0.000 0.936 18 E CA -2.670 53.285 56.400 -0.740 0.000 0.777 18 E CB 0.992 30.462 29.700 -0.383 0.000 1.108 18 E HN 0.366 nan 8.360 nan 0.000 0.401 19 P HA 0.115 nan 4.420 nan 0.000 0.278 19 P C -0.759 176.376 177.300 -0.275 0.000 1.238 19 P CA -0.556 62.208 63.100 -0.560 0.000 0.794 19 P CB 1.414 32.871 31.700 -0.404 0.000 0.955 20 S N 1.457 117.101 115.700 -0.093 0.000 2.452 20 S HA 0.156 4.625 4.470 -0.001 0.000 0.284 20 S C 1.096 175.749 174.600 0.089 0.000 1.171 20 S CA -0.539 57.662 58.200 0.003 0.000 1.064 20 S CB 0.032 63.272 63.200 0.066 0.000 0.967 20 S HN 0.250 nan 8.310 nan 0.000 0.484 21 K N 3.036 123.477 120.400 0.068 0.000 2.280 21 K HA -0.011 4.308 4.320 -0.001 0.000 0.202 21 K C 1.378 178.143 176.600 0.274 0.000 1.047 21 K CA 0.992 57.366 56.287 0.145 0.000 0.942 21 K CB 0.088 32.642 32.500 0.091 0.000 0.739 21 K HN 0.443 nan 8.250 nan 0.000 0.457 22 K N -0.141 120.376 120.400 0.196 0.000 2.352 22 K HA 0.101 4.420 4.320 -0.001 0.000 0.194 22 K C 1.410 178.149 176.600 0.231 0.000 1.038 22 K CA 0.587 56.979 56.287 0.174 0.000 1.023 22 K CB 0.566 33.133 32.500 0.111 0.000 0.840 22 K HN 0.102 nan 8.250 nan 0.000 0.519 23 R N 0.191 120.872 120.500 0.301 0.000 2.419 23 R HA 0.145 4.485 4.340 -0.001 0.000 0.235 23 R C -0.410 176.169 176.300 0.465 0.000 0.899 23 R CA -0.013 56.362 56.100 0.458 0.000 1.048 23 R CB 0.826 31.305 30.300 0.297 0.000 1.182 23 R HN -0.015 nan 8.270 nan 0.000 0.544 24 D N 0.752 121.387 120.400 0.392 0.000 2.278 24 D HA 0.265 4.904 4.640 -0.001 0.000 0.245 24 D C -0.500 176.091 176.300 0.486 0.000 1.052 24 D CA -0.501 53.739 54.000 0.399 0.000 0.834 24 D CB 2.047 43.038 40.800 0.319 0.000 1.194 24 D HN -0.138 nan 8.370 nan 0.000 0.481 25 I N 2.129 123.000 120.570 0.502 0.000 2.474 25 I HA 0.191 4.360 4.170 -0.001 0.000 0.287 25 I C 0.289 176.753 176.117 0.579 0.000 1.048 25 I CA -0.021 61.592 61.300 0.521 0.000 1.383 25 I CB 0.628 38.883 38.000 0.424 0.000 1.412 25 I HN 0.151 nan 8.210 nan 0.000 0.531 26 I N 5.821 126.720 120.570 0.548 0.000 2.418 26 I HA 0.555 4.724 4.170 -0.001 0.000 0.287 26 I C -0.162 176.151 176.117 0.326 0.000 1.008 26 I CA -0.589 60.988 61.300 0.462 0.000 1.104 26 I CB 1.673 39.902 38.000 0.382 0.000 1.264 26 I HN 0.601 nan 8.210 nan 0.000 0.438 27 A N 6.598 129.609 122.820 0.319 0.000 2.260 27 A HA 0.695 5.014 4.320 -0.001 0.000 0.314 27 A C -0.452 177.066 177.584 -0.110 0.000 1.257 27 A CA -0.489 51.554 52.037 0.009 0.000 0.871 27 A CB 0.775 19.766 19.000 -0.014 0.000 1.166 27 A HN 0.466 nan 8.150 nan 0.000 0.522 28 V N 3.463 123.258 119.914 -0.198 0.000 2.364 28 V HA 0.367 4.487 4.120 -0.001 0.000 0.272 28 V C -0.746 175.190 176.094 -0.263 0.000 1.036 28 V CA 0.044 62.262 62.300 -0.138 0.000 0.880 28 V CB -0.079 31.724 31.823 -0.034 0.000 0.991 28 V HN 0.671 nan 8.190 nan 0.000 0.460 29 F N 3.469 123.442 119.950 0.037 0.000 2.469 29 F HA 0.580 5.107 4.527 -0.001 0.000 0.332 29 F C 0.515 176.368 175.800 0.088 0.000 1.103 29 F CA -0.808 57.225 58.000 0.054 0.000 0.979 29 F CB 1.684 40.686 39.000 0.003 0.000 1.137 29 F HN 0.321 nan 8.300 nan 0.000 0.463 30 R N 2.861 123.562 120.500 0.336 0.000 2.205 30 R HA 0.585 4.925 4.340 -0.001 0.000 0.342 30 R C -1.728 174.764 176.300 0.320 0.000 1.058 30 R CA -0.245 56.039 56.100 0.307 0.000 0.904 30 R CB 0.381 30.855 30.300 0.291 0.000 1.089 30 R HN 0.537 nan 8.270 nan 0.000 0.471 31 V N 4.111 124.202 119.914 0.295 0.000 2.398 31 V HA 0.304 4.424 4.120 -0.001 0.000 0.286 31 V C -0.079 176.193 176.094 0.298 0.000 1.026 31 V CA -0.599 61.844 62.300 0.239 0.000 0.868 31 V CB 1.853 33.753 31.823 0.128 0.000 0.982 31 V HN 0.742 nan 8.190 nan 0.000 0.443 32 T N 7.481 122.192 114.554 0.262 0.000 2.821 32 T HA 0.384 4.734 4.350 -0.001 0.000 0.307 32 T C -2.603 172.197 174.700 0.166 0.000 1.034 32 T CA -1.218 61.029 62.100 0.246 0.000 0.953 32 T CB 1.406 70.405 68.868 0.219 0.000 0.968 32 T HN 0.415 nan 8.240 nan 0.000 0.462 33 P HA 0.296 nan 4.420 nan 0.000 0.269 33 P C -0.322 177.054 177.300 0.126 0.000 1.215 33 P CA -0.443 62.722 63.100 0.108 0.000 0.780 33 P CB 0.435 32.202 31.700 0.111 0.000 0.898 34 A N 1.626 124.520 122.820 0.123 0.000 2.406 34 A HA 0.116 4.436 4.320 -0.001 0.000 0.243 34 A C 0.436 178.157 177.584 0.228 0.000 1.082 34 A CA -0.000 52.136 52.037 0.166 0.000 0.786 34 A CB -0.426 18.672 19.000 0.164 0.000 1.029 34 A HN 0.487 nan 8.150 nan 0.000 0.495 35 E N 0.026 120.323 120.200 0.161 0.000 2.480 35 E HA 0.365 4.714 4.350 -0.001 0.000 0.258 35 E C 1.192 177.849 176.600 0.095 0.000 0.984 35 E CA 1.722 58.189 56.400 0.112 0.000 0.930 35 E CB -0.106 29.636 29.700 0.071 0.000 0.936 35 E HN 1.497 nan 8.360 nan 0.000 0.466 36 G N 3.141 111.958 108.800 0.029 0.000 2.194 36 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.236 36 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.236 36 G C -0.353 174.405 174.900 -0.237 0.000 0.987 36 G CA 0.115 45.146 45.100 -0.115 0.000 0.635 36 G HN 0.449 nan 8.290 nan 0.000 0.520 37 Y N 1.741 122.056 120.300 0.025 0.000 2.387 37 Y HA 0.586 5.135 4.550 -0.001 0.000 0.336 37 Y C 1.211 177.107 175.900 -0.006 0.000 1.067 37 Y CA 0.013 58.123 58.100 0.017 0.000 1.114 37 Y CB 1.637 40.111 38.460 0.024 0.000 1.208 37 Y HN 0.267 nan 8.280 nan 0.000 0.458 38 T N -0.540 114.083 114.554 0.116 0.000 2.868 38 T HA 0.123 4.472 4.350 -0.001 0.000 0.292 38 T C 1.096 175.757 174.700 -0.066 0.000 1.028 38 T CA -0.560 61.537 62.100 -0.005 0.000 1.059 38 T CB 0.862 69.701 68.868 -0.047 0.000 0.991 38 T HN 0.654 nan 8.240 nan 0.000 0.531 39 I N 1.002 121.409 120.570 -0.271 0.000 2.264 39 I HA -0.105 4.065 4.170 -0.001 0.000 0.248 39 I C 2.186 178.216 176.117 -0.144 0.000 1.111 39 I CA 1.687 62.751 61.300 -0.393 0.000 1.382 39 I CB -0.617 36.688 38.000 -1.157 0.000 1.060 39 I HN 0.825 nan 8.210 nan 0.000 0.418 40 E N 0.150 120.241 120.200 -0.182 0.000 2.077 40 E HA -0.255 4.095 4.350 -0.001 0.000 0.193 40 E C 2.228 178.851 176.600 0.038 0.000 0.989 40 E CA 1.561 57.919 56.400 -0.069 0.000 0.800 40 E CB -0.270 29.321 29.700 -0.182 0.000 0.746 40 E HN 0.628 nan 8.360 nan 0.000 0.452 41 Q N -0.185 119.641 119.800 0.044 0.000 2.079 41 Q HA -0.086 4.253 4.340 -0.001 0.000 0.200 41 Q C 2.226 178.247 176.000 0.034 0.000 0.974 41 Q CA 1.296 57.167 55.803 0.114 0.000 0.840 41 Q CB -0.176 28.701 28.738 0.231 0.000 0.898 41 Q HN 0.306 nan 8.270 nan 0.000 0.430 42 A N 1.291 124.105 122.820 -0.010 0.000 1.858 42 A HA -0.138 4.182 4.320 -0.001 0.000 0.216 42 A C 2.347 179.857 177.584 -0.123 0.000 1.190 42 A CA 1.638 53.620 52.037 -0.092 0.000 0.617 42 A CB -1.039 17.926 19.000 -0.057 0.000 0.827 42 A HN 0.394 nan 8.150 nan 0.000 0.443 43 A N -0.446 122.347 122.820 -0.045 0.000 1.892 43 A HA 0.012 4.331 4.320 -0.001 0.000 0.218 43 A C 2.484 180.028 177.584 -0.067 0.000 1.188 43 A CA 2.298 54.305 52.037 -0.050 0.000 0.631 43 A CB -1.612 17.454 19.000 0.110 0.000 0.822 43 A HN 0.871 nan 8.150 nan 0.000 0.447 44 G N -0.593 108.215 108.800 0.013 0.000 2.476 44 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.218 44 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.218 44 G C 1.784 176.557 174.900 -0.212 0.000 1.164 44 G CA 1.818 46.944 45.100 0.043 0.000 0.768 44 G HN 0.909 nan 8.290 nan 0.000 0.560 45 A N 0.033 122.589 122.820 -0.440 0.000 1.883 45 A HA 0.016 4.335 4.320 -0.001 0.000 0.217 45 A C 2.649 179.840 177.584 -0.655 0.000 1.186 45 A CA 2.106 53.563 52.037 -0.966 0.000 0.624 45 A CB -0.782 17.793 19.000 -0.709 0.000 0.822 45 A HN 0.306 nan 8.150 nan 0.000 0.444 46 V N -0.182 119.462 119.914 -0.450 0.000 2.295 46 V HA -0.261 3.859 4.120 -0.001 0.000 0.246 46 V C 3.071 178.966 176.094 -0.331 0.000 1.049 46 V CA 2.094 64.128 62.300 -0.443 0.000 1.024 46 V CB -1.321 30.165 31.823 -0.562 0.000 0.648 46 V HN 0.633 nan 8.190 nan 0.000 0.447 47 A N -0.166 122.504 122.820 -0.251 0.000 1.902 47 A HA -0.093 4.227 4.320 -0.001 0.000 0.217 47 A C 2.408 179.825 177.584 -0.280 0.000 1.181 47 A CA 2.106 54.052 52.037 -0.152 0.000 0.623 47 A CB -0.759 18.206 19.000 -0.059 0.000 0.818 47 A HN 0.573 nan 8.150 nan 0.000 0.443 48 A N -0.422 122.062 122.820 -0.561 0.000 1.873 48 A HA -0.123 4.197 4.320 -0.001 0.000 0.215 48 A C 1.903 179.253 177.584 -0.391 0.000 1.186 48 A CA 1.590 53.053 52.037 -0.956 0.000 0.616 48 A CB -0.377 18.191 19.000 -0.720 0.000 0.823 48 A HN 0.443 nan 8.150 nan 0.000 0.442 49 E N 0.431 120.466 120.200 -0.276 0.000 2.358 49 E HA -0.058 4.292 4.350 -0.001 0.000 0.195 49 E C 1.796 178.362 176.600 -0.056 0.000 1.010 49 E CA 1.051 57.381 56.400 -0.117 0.000 0.856 49 E CB -0.215 29.408 29.700 -0.128 0.000 0.795 49 E HN 0.717 nan 8.360 nan 0.000 0.504 50 S N -0.470 115.208 115.700 -0.037 0.000 2.634 50 S HA 0.113 4.583 4.470 -0.001 0.000 0.221 50 S C 1.335 176.053 174.600 0.198 0.000 0.952 50 S CA 0.395 58.646 58.200 0.086 0.000 0.930 50 S CB 0.140 63.434 63.200 0.158 0.000 0.780 50 S HN 0.172 nan 8.310 nan 0.000 0.498 51 S N 1.341 117.110 115.700 0.115 0.000 4.848 51 S HA 0.164 4.633 4.470 -0.001 0.000 0.151 51 S C 1.235 175.873 174.600 0.064 0.000 1.055 51 S CA 0.512 58.784 58.200 0.120 0.000 1.208 51 S CB -0.225 63.084 63.200 0.183 0.000 2.035 51 S HN 0.491 nan 8.310 nan 0.000 0.792 52 T N -0.573 114.043 114.554 0.104 0.000 3.003 52 T HA 0.545 4.894 4.350 -0.001 0.000 0.261 52 T C 0.817 175.722 174.700 0.342 0.000 1.003 52 T CA 0.381 62.604 62.100 0.205 0.000 0.917 52 T CB 0.187 69.149 68.868 0.156 0.000 1.084 52 T HN 0.806 nan 8.240 nan 0.000 0.522 53 G N -0.057 108.857 108.800 0.189 0.000 2.601 53 G HA2 0.615 4.574 3.960 -0.001 0.000 0.317 53 G HA3 0.615 4.574 3.960 -0.001 0.000 0.317 53 G C -1.035 173.967 174.900 0.171 0.000 1.246 53 G CA -0.441 44.803 45.100 0.241 0.000 1.012 53 G HN 0.290 nan 8.290 nan 0.000 0.494 54 T N -1.814 112.843 114.554 0.170 0.000 2.647 54 T HA 0.390 4.740 4.350 -0.001 0.000 0.295 54 T C 0.179 174.895 174.700 0.028 0.000 1.126 54 T CA -0.309 61.884 62.100 0.155 0.000 1.040 54 T CB 0.813 69.705 68.868 0.039 0.000 1.472 54 T HN 0.688 nan 8.240 nan 0.000 0.500 55 W N 0.681 121.968 121.300 -0.023 0.000 2.770 55 W HA 0.299 4.959 4.660 -0.001 0.000 0.256 55 W C 0.367 176.750 176.519 -0.226 0.000 1.291 55 W CA 0.484 57.714 57.345 -0.192 0.000 1.396 55 W CB -0.933 28.524 29.460 -0.005 0.000 1.114 55 W HN 0.545 nan 8.180 nan 0.000 0.637 56 T N 1.605 115.594 114.554 -0.943 0.000 2.916 56 T HA 0.354 4.704 4.350 -0.001 0.000 0.292 56 T C -0.010 174.403 174.700 -0.478 0.000 1.064 56 T CA -0.101 61.478 62.100 -0.868 0.000 1.011 56 T CB 1.674 69.643 68.868 -1.499 0.000 1.152 56 T HN 0.021 nan 8.240 nan 0.000 0.510 57 T N 2.134 116.496 114.554 -0.321 0.000 2.916 57 T HA 0.541 4.890 4.350 -0.001 0.000 0.303 57 T C 0.019 174.617 174.700 -0.170 0.000 1.025 57 T CA -0.416 61.566 62.100 -0.196 0.000 1.142 57 T CB 0.238 69.028 68.868 -0.131 0.000 0.947 57 T HN 0.343 nan 8.240 nan 0.000 0.544 58 L N 1.888 123.045 121.223 -0.111 0.000 2.341 58 L HA 0.642 4.981 4.340 -0.001 0.000 0.267 58 L C -0.604 176.315 176.870 0.082 0.000 1.022 58 L CA -1.320 53.519 54.840 -0.001 0.000 0.844 58 L CB 1.443 43.532 42.059 0.051 0.000 1.436 58 L HN 0.837 nan 8.230 nan 0.000 0.483 59 Y N 1.781 122.125 120.300 0.073 0.000 2.377 59 Y HA 0.510 5.060 4.550 -0.001 0.000 0.339 59 Y C -2.196 173.777 175.900 0.122 0.000 1.011 59 Y CA -2.565 55.577 58.100 0.070 0.000 1.093 59 Y CB 1.562 40.070 38.460 0.080 0.000 1.201 59 Y HN 0.303 nan 8.280 nan 0.000 0.455 60 P HA -0.028 nan 4.420 nan 0.000 0.266 60 P C -0.218 176.799 177.300 -0.472 0.000 1.419 60 P CA 0.401 63.085 63.100 -0.692 0.000 1.112 60 P CB -0.425 30.879 31.700 -0.660 0.000 1.438 61 W N 3.933 125.093 121.300 -0.233 0.000 2.870 61 W HA 0.179 4.839 4.660 -0.001 0.000 0.358 61 W C -0.892 175.659 176.519 0.053 0.000 1.043 61 W CA -0.621 56.751 57.345 0.045 0.000 1.692 61 W CB -0.794 28.846 29.460 0.299 0.000 1.100 61 W HN 0.150 nan 8.180 nan 0.000 0.557 62 Y N -0.539 119.429 120.300 -0.554 0.000 2.665 62 Y HA 0.645 5.194 4.550 -0.001 0.000 0.336 62 Y C -0.281 175.421 175.900 -0.330 0.000 1.085 62 Y CA -2.109 55.645 58.100 -0.577 0.000 1.096 62 Y CB 0.400 38.272 38.460 -0.980 0.000 1.301 62 Y HN -0.103 nan 8.280 nan 0.000 0.493 63 E N 1.598 121.744 120.200 -0.089 0.000 2.217 63 E HA 0.030 4.380 4.350 -0.001 0.000 0.279 63 E C 0.325 176.937 176.600 0.020 0.000 1.068 63 E CA -0.230 56.122 56.400 -0.080 0.000 0.882 63 E CB 0.853 30.543 29.700 -0.018 0.000 1.039 63 E HN 0.733 nan 8.360 nan 0.000 0.418 64 Q N 2.794 122.532 119.800 -0.104 0.000 2.096 64 Q HA -0.234 4.105 4.340 -0.001 0.000 0.204 64 Q C 2.102 178.218 176.000 0.193 0.000 0.982 64 Q CA 2.109 57.929 55.803 0.029 0.000 0.850 64 Q CB -0.457 28.226 28.738 -0.091 0.000 0.901 64 Q HN 0.810 nan 8.270 nan 0.000 0.422 65 E N 1.781 122.033 120.200 0.086 0.000 2.058 65 E HA -0.228 4.121 4.350 -0.001 0.000 0.194 65 E C 1.861 178.512 176.600 0.085 0.000 0.997 65 E CA 1.551 57.996 56.400 0.076 0.000 0.801 65 E CB -0.639 29.079 29.700 0.030 0.000 0.746 65 E HN 0.357 nan 8.360 nan 0.000 0.450 66 R N -1.453 119.101 120.500 0.090 0.000 2.073 66 R HA -0.134 4.206 4.340 -0.001 0.000 0.234 66 R C 2.352 178.695 176.300 0.072 0.000 1.134 66 R CA 1.910 58.048 56.100 0.063 0.000 0.952 66 R CB -0.561 29.769 30.300 0.050 0.000 0.850 66 R HN 0.671 nan 8.270 nan 0.000 0.433 67 W N 1.064 122.343 121.300 -0.036 0.000 2.335 67 W HA -0.209 4.450 4.660 -0.001 0.000 0.311 67 W C 1.991 178.478 176.519 -0.054 0.000 1.213 67 W CA 2.275 59.576 57.345 -0.072 0.000 1.274 67 W CB -0.452 28.985 29.460 -0.038 0.000 1.148 67 W HN 0.207 nan 8.180 nan 0.000 0.498 68 A N -0.145 122.633 122.820 -0.071 0.000 1.933 68 A HA -0.240 4.080 4.320 -0.001 0.000 0.218 68 A C 1.686 179.097 177.584 -0.288 0.000 1.175 68 A CA 2.189 54.025 52.037 -0.335 0.000 0.628 68 A CB -1.267 17.753 19.000 0.033 0.000 0.814 68 A HN 0.443 nan 8.150 nan 0.000 0.444 69 D N -0.425 119.882 120.400 -0.155 0.000 2.178 69 D HA -0.067 4.572 4.640 -0.001 0.000 0.202 69 D C 1.545 177.712 176.300 -0.222 0.000 0.974 69 D CA 0.971 54.897 54.000 -0.125 0.000 0.841 69 D CB -0.106 40.680 40.800 -0.023 0.000 0.953 69 D HN 0.442 nan 8.370 nan 0.000 0.478 70 L N -0.319 120.721 121.223 -0.305 0.000 2.607 70 L HA 0.228 4.567 4.340 -0.001 0.000 0.228 70 L C 0.579 177.244 176.870 -0.343 0.000 1.123 70 L CA -0.204 54.411 54.840 -0.376 0.000 0.890 70 L CB 0.197 42.044 42.059 -0.353 0.000 1.103 70 L HN -0.146 nan 8.230 nan 0.000 0.468 71 S N 0.900 116.357 115.700 -0.405 0.000 2.565 71 S HA 0.508 4.977 4.470 -0.001 0.000 0.276 71 S C 0.487 174.955 174.600 -0.221 0.000 1.326 71 S CA -0.603 57.413 58.200 -0.306 0.000 1.045 71 S CB 1.527 64.412 63.200 -0.525 0.000 0.918 71 S HN 0.275 nan 8.310 nan 0.000 0.505 72 A N 3.184 125.951 122.820 -0.089 0.000 2.272 72 A HA 0.577 4.897 4.320 -0.001 0.000 0.275 72 A C -0.137 177.317 177.584 -0.218 0.000 1.096 72 A CA -0.560 51.309 52.037 -0.280 0.000 0.822 72 A CB 0.424 19.076 19.000 -0.580 0.000 1.088 72 A HN 0.765 nan 8.150 nan 0.000 0.495 73 K N 0.524 120.748 120.400 -0.293 0.000 2.541 73 K HA 0.528 4.847 4.320 -0.001 0.000 0.250 73 K C -0.968 175.635 176.600 0.005 0.000 0.950 73 K CA -0.455 55.726 56.287 -0.177 0.000 0.805 73 K CB 2.158 34.440 32.500 -0.363 0.000 1.166 73 K HN 0.736 nan 8.250 nan 0.000 0.430 74 A N 3.042 125.887 122.820 0.041 0.000 2.396 74 A HA 0.250 4.570 4.320 -0.001 0.000 0.279 74 A C 0.042 177.735 177.584 0.180 0.000 1.165 74 A CA -0.053 52.000 52.037 0.026 0.000 0.824 74 A CB -0.519 18.491 19.000 0.018 0.000 1.100 74 A HN 0.938 nan 8.150 nan 0.000 0.516 75 Y N 0.235 120.561 120.300 0.043 0.000 2.425 75 Y HA 0.487 5.037 4.550 -0.001 0.000 0.261 75 Y C -0.076 175.949 175.900 0.209 0.000 1.084 75 Y CA -0.249 57.961 58.100 0.184 0.000 1.248 75 Y CB 0.300 38.891 38.460 0.219 0.000 1.270 75 Y HN 0.473 nan 8.280 nan 0.000 0.524 76 D N 0.559 120.614 120.400 -0.575 0.000 2.757 76 D HA 0.465 5.104 4.640 -0.001 0.000 0.249 76 D C -1.836 174.288 176.300 -0.293 0.000 1.168 76 D CA -0.319 53.516 54.000 -0.275 0.000 0.870 76 D CB 1.305 41.828 40.800 -0.462 0.000 1.411 76 D HN 0.069 nan 8.370 nan 0.000 0.525 77 F N 2.147 122.118 119.950 0.036 0.000 2.518 77 F HA 0.373 4.899 4.527 -0.001 0.000 0.323 77 F C -0.468 175.513 175.800 0.302 0.000 1.129 77 F CA -1.014 57.091 58.000 0.175 0.000 0.920 77 F CB 1.905 40.993 39.000 0.147 0.000 1.160 77 F HN 0.371 nan 8.300 nan 0.000 0.440 78 H N 1.824 121.111 119.070 0.361 0.000 2.823 78 H HA 0.248 4.804 4.556 -0.001 0.000 0.332 78 H C -1.276 174.060 175.328 0.013 0.000 0.980 78 H CA -0.782 55.361 56.048 0.158 0.000 1.286 78 H CB 1.106 30.863 29.762 -0.009 0.000 1.541 78 H HN 0.486 nan 8.280 nan 0.000 0.521 79 D N 5.144 125.070 120.400 -0.791 0.000 2.358 79 D HA -0.011 4.628 4.640 -0.001 0.000 0.258 79 D C 0.837 176.549 176.300 -0.980 0.000 1.223 79 D CA -0.116 53.048 54.000 -1.392 0.000 0.886 79 D CB 0.832 40.765 40.800 -1.445 0.000 1.120 79 D HN 0.600 nan 8.370 nan 0.000 0.482 80 M N 2.243 121.445 119.600 -0.664 0.000 2.558 80 M HA 0.111 4.591 4.480 -0.001 0.000 0.255 80 M C 1.416 177.551 176.300 -0.275 0.000 1.113 80 M CA 0.523 55.632 55.300 -0.318 0.000 1.097 80 M CB -0.742 31.804 32.600 -0.091 0.000 1.426 80 M HN 0.698 nan 8.290 nan 0.000 0.488 81 G N 2.513 111.079 108.800 -0.390 0.000 2.176 81 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.252 81 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.252 81 G C -0.082 174.746 174.900 -0.120 0.000 1.024 81 G CA 0.684 45.633 45.100 -0.252 0.000 0.755 81 G HN 0.617 nan 8.290 nan 0.000 0.507 82 D N -2.591 117.760 120.400 -0.082 0.000 2.562 82 D HA 0.428 5.067 4.640 -0.001 0.000 0.246 82 D C 1.531 177.853 176.300 0.036 0.000 1.347 82 D CA 0.803 54.809 54.000 0.009 0.000 0.800 82 D CB -0.318 40.535 40.800 0.087 0.000 1.111 82 D HN 1.457 nan 8.370 nan 0.000 0.508 83 G N 0.184 109.009 108.800 0.042 0.000 2.213 83 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.226 83 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.226 83 G C 0.297 175.346 174.900 0.248 0.000 0.992 83 G CA 0.212 45.392 45.100 0.134 0.000 0.632 83 G HN 1.050 nan 8.290 nan 0.000 0.511 84 S N -0.862 114.963 115.700 0.207 0.000 2.607 84 S HA 0.836 5.306 4.470 -0.001 0.000 0.303 84 S C -1.031 173.693 174.600 0.206 0.000 1.086 84 S CA -0.659 57.749 58.200 0.346 0.000 0.995 84 S CB 2.037 65.478 63.200 0.402 0.000 1.084 84 S HN 0.687 nan 8.310 nan 0.000 0.507 85 W N 0.946 122.328 121.300 0.136 0.000 2.883 85 W HA 0.534 5.194 4.660 -0.001 0.000 0.335 85 W C -0.833 175.747 176.519 0.102 0.000 1.083 85 W CA -1.165 56.244 57.345 0.107 0.000 1.233 85 W CB 1.088 30.625 29.460 0.128 0.000 1.412 85 W HN 0.469 nan 8.180 nan 0.000 0.490 86 I N 4.026 124.764 120.570 0.280 0.000 2.452 86 I HA 0.197 4.366 4.170 -0.001 0.000 0.287 86 I C -0.034 176.140 176.117 0.096 0.000 1.079 86 I CA -0.687 60.707 61.300 0.156 0.000 1.387 86 I CB -0.223 37.787 38.000 0.016 0.000 1.404 86 I HN 0.074 nan 8.210 nan 0.000 0.522 87 V N 7.881 127.805 119.914 0.017 0.000 2.540 87 V HA 0.454 4.573 4.120 -0.001 0.000 0.302 87 V C 0.274 176.260 176.094 -0.180 0.000 1.035 87 V CA -0.901 61.264 62.300 -0.224 0.000 0.873 87 V CB 2.118 33.761 31.823 -0.300 0.000 0.992 87 V HN 0.632 nan 8.190 nan 0.000 0.428 88 R N 4.734 124.996 120.500 -0.396 0.000 2.346 88 R HA 0.732 5.071 4.340 -0.001 0.000 0.311 88 R C -1.068 175.033 176.300 -0.333 0.000 0.983 88 R CA -0.443 55.445 56.100 -0.355 0.000 0.880 88 R CB 1.641 31.599 30.300 -0.570 0.000 1.100 88 R HN 0.601 nan 8.270 nan 0.000 0.453 89 I N 1.689 122.302 120.570 0.072 0.000 2.545 89 I HA 0.462 4.632 4.170 -0.001 0.000 0.292 89 I C -0.338 175.920 176.117 0.235 0.000 1.040 89 I CA -0.994 60.391 61.300 0.142 0.000 1.068 89 I CB 2.178 40.248 38.000 0.117 0.000 1.251 89 I HN 0.597 nan 8.210 nan 0.000 0.424 90 A N 6.191 129.089 122.820 0.131 0.000 2.318 90 A HA 0.792 5.112 4.320 -0.001 0.000 0.324 90 A C -1.522 175.951 177.584 -0.186 0.000 1.170 90 A CA -0.307 51.804 52.037 0.124 0.000 0.810 90 A CB 0.559 19.661 19.000 0.171 0.000 1.198 90 A HN 0.627 nan 8.150 nan 0.000 0.484 91 Y N 2.647 123.081 120.300 0.223 0.000 2.376 91 Y HA 0.492 5.042 4.550 -0.001 0.000 0.340 91 Y C -2.216 173.798 175.900 0.189 0.000 0.965 91 Y CA -2.587 55.624 58.100 0.186 0.000 1.078 91 Y CB 2.138 40.829 38.460 0.385 0.000 1.193 91 Y HN 0.498 nan 8.280 nan 0.000 0.452 92 P HA 0.002 nan 4.420 nan 0.000 0.276 92 P C 0.501 177.882 177.300 0.134 0.000 1.230 92 P CA -0.293 62.865 63.100 0.095 0.000 0.776 92 P CB 0.632 32.287 31.700 -0.076 0.000 0.888 93 F N 3.322 123.451 119.950 0.298 0.000 2.202 93 F HA -0.209 4.318 4.527 -0.001 0.000 0.301 93 F C 1.780 177.731 175.800 0.252 0.000 1.082 93 F CA 1.449 59.630 58.000 0.302 0.000 1.313 93 F CB -1.819 37.288 39.000 0.179 0.000 1.024 93 F HN 0.428 nan 8.300 nan 0.000 0.495 94 H N -0.197 118.566 119.070 -0.512 0.000 2.543 94 H HA 0.485 5.040 4.556 -0.001 0.000 0.269 94 H C 1.627 176.834 175.328 -0.201 0.000 1.005 94 H CA 0.445 56.335 56.048 -0.264 0.000 1.146 94 H CB -0.852 28.633 29.762 -0.461 0.000 1.353 94 H HN 0.421 nan 8.280 nan 0.000 0.595 95 A N 0.522 122.986 122.820 -0.592 0.000 2.119 95 A HA 0.160 4.479 4.320 -0.001 0.000 0.216 95 A C 0.137 177.335 177.584 -0.643 0.000 1.152 95 A CA 0.065 51.668 52.037 -0.723 0.000 0.708 95 A CB -0.277 18.173 19.000 -0.917 0.000 0.805 95 A HN 0.194 nan 8.150 nan 0.000 0.460 96 F N -0.390 119.538 119.950 -0.037 0.000 2.507 96 F HA 0.431 4.958 4.527 -0.001 0.000 0.327 96 F C 0.459 176.257 175.800 -0.003 0.000 1.068 96 F CA -1.363 56.623 58.000 -0.023 0.000 0.965 96 F CB 0.920 39.899 39.000 -0.036 0.000 1.192 96 F HN 0.125 nan 8.300 nan 0.000 0.476 97 E N 1.818 122.122 120.200 0.174 0.000 2.384 97 E HA 0.038 4.387 4.350 -0.001 0.000 0.266 97 E C -0.592 176.042 176.600 0.055 0.000 1.012 97 E CA -0.377 56.075 56.400 0.088 0.000 0.901 97 E CB 0.492 30.222 29.700 0.050 0.000 0.967 97 E HN 0.595 nan 8.360 nan 0.000 0.435 98 E N 2.661 122.877 120.200 0.027 0.000 2.452 98 E HA 0.082 4.431 4.350 -0.001 0.000 0.261 98 E C 0.219 176.753 176.600 -0.109 0.000 0.987 98 E CA 0.606 56.981 56.400 -0.042 0.000 0.926 98 E CB 0.474 30.150 29.700 -0.041 0.000 0.934 98 E HN 0.726 nan 8.360 nan 0.000 0.452 99 A N 3.805 126.499 122.820 -0.209 0.000 2.791 99 A HA -0.217 4.103 4.320 -0.001 0.000 0.292 99 A C 0.060 177.525 177.584 -0.198 0.000 1.487 99 A CA 0.907 52.772 52.037 -0.286 0.000 0.760 99 A CB -1.684 17.172 19.000 -0.241 0.000 1.031 99 A HN 0.528 nan 8.150 nan 0.000 0.503 100 N N -0.324 118.281 118.700 -0.158 0.000 2.762 100 N HA 0.376 5.115 4.740 -0.001 0.000 0.252 100 N C 0.464 175.918 175.510 -0.093 0.000 1.269 100 N CA -0.205 52.792 53.050 -0.087 0.000 0.799 100 N CB 0.520 38.986 38.487 -0.035 0.000 1.173 100 N HN 0.376 nan 8.380 nan 0.000 0.516 101 L N 4.376 125.555 121.223 -0.075 0.000 2.012 101 L HA 0.164 4.503 4.340 -0.001 0.000 0.210 101 L C -0.970 175.834 176.870 -0.109 0.000 1.073 101 L CA 2.130 56.939 54.840 -0.051 0.000 0.748 101 L CB -0.994 41.127 42.059 0.103 0.000 0.891 101 L HN 0.330 nan 8.230 nan 0.000 0.431 102 P HA -0.114 nan 4.420 nan 0.000 0.216 102 P C 1.580 178.850 177.300 -0.050 0.000 1.150 102 P CA 1.810 64.891 63.100 -0.032 0.000 0.837 102 P CB -0.369 31.372 31.700 0.068 0.000 0.786 103 G N -0.397 108.385 108.800 -0.029 0.000 2.421 103 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.217 103 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.217 103 G C 1.474 176.367 174.900 -0.012 0.000 1.143 103 G CA 0.291 45.392 45.100 0.001 0.000 0.784 103 G HN 0.282 nan 8.290 nan 0.000 0.541 104 L N -0.051 121.100 121.223 -0.120 0.000 2.072 104 L HA 0.167 4.506 4.340 -0.001 0.000 0.205 104 L C 2.666 179.391 176.870 -0.240 0.000 1.079 104 L CA 0.793 55.454 54.840 -0.298 0.000 0.752 104 L CB -0.128 41.630 42.059 -0.502 0.000 0.906 104 L HN 0.154 nan 8.230 nan 0.000 0.436 105 L N -0.094 120.994 121.223 -0.225 0.000 2.131 105 L HA -0.179 4.161 4.340 -0.001 0.000 0.210 105 L C 2.798 179.608 176.870 -0.100 0.000 1.092 105 L CA 0.969 55.673 54.840 -0.227 0.000 0.759 105 L CB -0.763 41.059 42.059 -0.396 0.000 0.903 105 L HN 0.375 nan 8.230 nan 0.000 0.435 106 A N -1.083 121.705 122.820 -0.053 0.000 1.972 106 A HA -0.177 4.143 4.320 -0.001 0.000 0.219 106 A C 2.506 180.106 177.584 0.027 0.000 1.169 106 A CA 2.062 54.104 52.037 0.009 0.000 0.635 106 A CB -0.373 18.645 19.000 0.029 0.000 0.810 106 A HN 0.354 nan 8.150 nan 0.000 0.446 107 S N -0.646 115.072 115.700 0.030 0.000 2.341 107 S HA 0.095 4.565 4.470 -0.001 0.000 0.216 107 S C 1.675 176.276 174.600 0.003 0.000 1.034 107 S CA 1.127 59.362 58.200 0.057 0.000 0.964 107 S CB -0.258 63.054 63.200 0.186 0.000 0.882 107 S HN 0.521 nan 8.310 nan 0.000 0.469 108 I N 0.704 121.232 120.570 -0.070 0.000 3.419 108 I HA 0.138 4.307 4.170 -0.001 0.000 0.286 108 I C 1.061 177.215 176.117 0.061 0.000 1.268 108 I CA 0.405 61.680 61.300 -0.041 0.000 1.414 108 I CB -0.029 37.850 38.000 -0.201 0.000 1.074 108 I HN 0.184 nan 8.210 nan 0.000 0.457 109 A N 0.589 123.434 122.820 0.042 0.000 2.674 109 A HA 0.628 4.947 4.320 -0.001 0.000 0.286 109 A C 0.657 178.405 177.584 0.272 0.000 0.980 109 A CA -0.071 52.092 52.037 0.211 0.000 1.028 109 A CB -0.356 18.772 19.000 0.214 0.000 1.199 109 A HN 0.308 nan 8.150 nan 0.000 0.499 110 G N 0.132 108.999 108.800 0.110 0.000 3.441 110 G HA2 0.234 4.193 3.960 -0.001 0.000 0.195 110 G HA3 0.234 4.193 3.960 -0.001 0.000 0.195 110 G C 0.754 175.736 174.900 0.136 0.000 1.633 110 G CA 0.202 45.377 45.100 0.125 0.000 0.895 110 G HN 0.228 nan 8.290 nan 0.000 0.654 111 N N 1.152 119.892 118.700 0.067 0.000 2.192 111 N HA -0.151 4.588 4.740 -0.001 0.000 0.188 111 N C 2.335 177.851 175.510 0.010 0.000 1.013 111 N CA 1.429 54.512 53.050 0.055 0.000 0.863 111 N CB -0.529 37.978 38.487 0.035 0.000 0.990 111 N HN 0.598 nan 8.380 nan 0.000 0.430 112 I N -2.895 117.606 120.570 -0.115 0.000 2.423 112 I HA -0.188 3.981 4.170 -0.001 0.000 0.254 112 I C 1.263 177.250 176.117 -0.218 0.000 1.151 112 I CA 1.251 62.401 61.300 -0.249 0.000 1.421 112 I CB -0.664 37.073 38.000 -0.439 0.000 1.079 112 I HN -0.183 nan 8.210 nan 0.000 0.431 113 F N 2.284 122.233 119.950 -0.002 0.000 2.451 113 F HA 0.087 4.614 4.527 -0.001 0.000 0.299 113 F C 2.402 178.294 175.800 0.154 0.000 1.101 113 F CA 1.216 59.249 58.000 0.055 0.000 1.436 113 F CB -0.464 38.545 39.000 0.014 0.000 1.074 113 F HN 0.174 nan 8.300 nan 0.000 0.553 114 G N -1.276 107.659 108.800 0.226 0.000 3.159 114 G HA2 0.106 4.065 3.960 -0.001 0.000 0.232 114 G HA3 0.106 4.065 3.960 -0.001 0.000 0.232 114 G C 0.737 175.679 174.900 0.070 0.000 1.116 114 G CA -0.224 44.969 45.100 0.155 0.000 0.767 114 G HN -0.114 nan 8.290 nan 0.000 0.547 115 M N 1.040 120.655 119.600 0.025 0.000 2.260 115 M HA 0.140 4.620 4.480 -0.001 0.000 0.348 115 M C 1.272 177.551 176.300 -0.034 0.000 1.342 115 M CA 0.247 55.526 55.300 -0.034 0.000 1.040 115 M CB 0.929 33.464 32.600 -0.109 0.000 1.810 115 M HN 0.075 nan 8.290 nan 0.000 0.453 116 K N 2.461 122.833 120.400 -0.047 0.000 2.103 116 K HA -0.131 4.189 4.320 -0.001 0.000 0.207 116 K C 1.689 178.225 176.600 -0.108 0.000 1.048 116 K CA 1.362 57.619 56.287 -0.049 0.000 0.930 116 K CB 0.056 32.535 32.500 -0.035 0.000 0.716 116 K HN 0.518 nan 8.250 nan 0.000 0.444 117 R N 0.817 121.182 120.500 -0.225 0.000 2.211 117 R HA -0.092 4.247 4.340 -0.001 0.000 0.240 117 R C 0.699 176.875 176.300 -0.207 0.000 1.144 117 R CA 0.973 56.821 56.100 -0.421 0.000 0.992 117 R CB -0.417 29.583 30.300 -0.500 0.000 0.869 117 R HN 0.124 nan 8.270 nan 0.000 0.462 118 V N -1.370 118.483 119.914 -0.102 0.000 2.483 118 V HA 0.262 4.382 4.120 -0.001 0.000 0.295 118 V C 0.773 176.891 176.094 0.039 0.000 1.035 118 V CA -0.818 61.474 62.300 -0.013 0.000 0.896 118 V CB 2.080 33.906 31.823 0.004 0.000 0.986 118 V HN -0.034 nan 8.190 nan 0.000 0.447 119 K N 2.794 123.236 120.400 0.070 0.000 2.356 119 K HA 0.433 4.752 4.320 -0.001 0.000 0.195 119 K C 0.603 177.253 176.600 0.083 0.000 1.037 119 K CA 0.879 57.202 56.287 0.060 0.000 1.014 119 K CB 0.392 32.928 32.500 0.060 0.000 0.815 119 K HN 1.127 nan 8.250 nan 0.000 0.507 120 G N 1.208 110.121 108.800 0.188 0.000 2.750 120 G HA2 0.444 4.403 3.960 -0.001 0.000 0.298 120 G HA3 0.444 4.403 3.960 -0.001 0.000 0.298 120 G C -2.480 172.679 174.900 0.432 0.000 1.412 120 G CA -0.691 44.632 45.100 0.371 0.000 1.078 120 G HN 0.065 nan 8.290 nan 0.000 0.573 121 L N 1.681 123.263 121.223 0.599 0.000 2.446 121 L HA 0.832 5.172 4.340 -0.001 0.000 0.268 121 L C -0.292 176.785 176.870 0.344 0.000 0.975 121 L CA -0.833 54.200 54.840 0.320 0.000 0.848 121 L CB 1.737 43.860 42.059 0.107 0.000 1.225 121 L HN 0.659 nan 8.230 nan 0.000 0.410 122 R N 4.342 125.071 120.500 0.381 0.000 2.437 122 R HA 0.648 4.988 4.340 -0.001 0.000 0.310 122 R C -1.581 174.944 176.300 0.375 0.000 0.955 122 R CA -0.791 55.530 56.100 0.368 0.000 0.851 122 R CB 1.463 31.916 30.300 0.255 0.000 1.161 122 R HN 0.645 nan 8.270 nan 0.000 0.446 123 L N 4.629 126.058 121.223 0.343 0.000 2.325 123 L HA 0.254 4.593 4.340 -0.001 0.000 0.284 123 L C 0.340 177.238 176.870 0.047 0.000 1.089 123 L CA 0.582 55.447 54.840 0.042 0.000 0.836 123 L CB 1.044 43.135 42.059 0.053 0.000 1.184 123 L HN 0.816 nan 8.230 nan 0.000 0.444 124 E N 2.314 122.515 120.200 0.002 0.000 2.166 124 E HA 0.105 4.454 4.350 -0.001 0.000 0.192 124 E C -0.217 176.463 176.600 0.132 0.000 0.967 124 E CA 0.424 56.871 56.400 0.078 0.000 0.840 124 E CB 0.458 30.226 29.700 0.113 0.000 0.795 124 E HN 0.661 nan 8.360 nan 0.000 0.470 125 D N -0.645 119.788 120.400 0.055 0.000 2.609 125 D HA 0.368 5.008 4.640 -0.001 0.000 0.239 125 D C -1.842 174.446 176.300 -0.019 0.000 1.229 125 D CA -0.706 53.375 54.000 0.135 0.000 0.808 125 D CB 1.904 42.828 40.800 0.208 0.000 1.448 125 D HN -0.154 nan 8.370 nan 0.000 0.433 126 L N 3.308 124.500 121.223 -0.051 0.000 2.446 126 L HA 0.415 4.754 4.340 -0.001 0.000 0.268 126 L C -1.763 174.979 176.870 -0.213 0.000 0.975 126 L CA -0.726 54.002 54.840 -0.187 0.000 0.848 126 L CB 1.135 42.958 42.059 -0.392 0.000 1.225 126 L HN 0.412 nan 8.230 nan 0.000 0.410 127 Y N 5.319 125.556 120.300 -0.104 0.000 2.327 127 Y HA 0.638 5.187 4.550 -0.001 0.000 0.336 127 Y C -1.318 174.664 175.900 0.136 0.000 1.035 127 Y CA -0.409 57.673 58.100 -0.031 0.000 1.165 127 Y CB 0.745 39.256 38.460 0.085 0.000 1.181 127 Y HN 0.424 nan 8.280 nan 0.000 0.494 128 F N 8.087 127.561 119.950 -0.793 0.000 2.444 128 F HA 0.446 4.973 4.527 -0.001 0.000 0.342 128 F C -2.116 173.132 175.800 -0.919 0.000 1.121 128 F CA -3.510 54.115 58.000 -0.626 0.000 0.997 128 F CB 1.182 39.962 39.000 -0.367 0.000 1.130 128 F HN 0.446 nan 8.300 nan 0.000 0.454 129 P HA 0.017 nan 4.420 nan 0.000 0.272 129 P C 0.754 177.970 177.300 -0.140 0.000 1.240 129 P CA -0.066 62.948 63.100 -0.144 0.000 0.791 129 P CB 1.039 32.783 31.700 0.074 0.000 0.978 130 E N 1.140 121.284 120.200 -0.094 0.000 2.171 130 E HA -0.266 4.083 4.350 -0.001 0.000 0.197 130 E C 1.810 178.224 176.600 -0.311 0.000 0.997 130 E CA 1.476 57.711 56.400 -0.276 0.000 0.810 130 E CB -0.097 29.281 29.700 -0.537 0.000 0.738 130 E HN 0.359 nan 8.360 nan 0.000 0.467 131 K N -0.072 120.145 120.400 -0.304 0.000 2.063 131 K HA -0.189 4.130 4.320 -0.001 0.000 0.208 131 K C 2.092 178.505 176.600 -0.312 0.000 1.048 131 K CA 1.272 57.339 56.287 -0.368 0.000 0.928 131 K CB 0.004 32.145 32.500 -0.598 0.000 0.713 131 K HN 0.103 nan 8.250 nan 0.000 0.442 132 L N 0.893 121.944 121.223 -0.287 0.000 2.095 132 L HA -0.107 4.233 4.340 -0.001 0.000 0.204 132 L C 2.117 178.964 176.870 -0.038 0.000 1.080 132 L CA 0.807 55.479 54.840 -0.279 0.000 0.759 132 L CB -0.347 41.382 42.059 -0.551 0.000 0.914 132 L HN 0.187 nan 8.230 nan 0.000 0.439 133 I N -0.047 120.530 120.570 0.012 0.000 2.145 133 I HA -0.345 3.825 4.170 -0.001 0.000 0.244 133 I C 2.364 178.563 176.117 0.136 0.000 1.075 133 I CA 1.633 63.017 61.300 0.141 0.000 1.332 133 I CB -1.023 37.027 38.000 0.083 0.000 1.033 133 I HN 0.343 nan 8.210 nan 0.000 0.410 134 R N 0.405 120.882 120.500 -0.037 0.000 2.316 134 R HA -0.072 4.267 4.340 -0.001 0.000 0.202 134 R C 1.582 177.838 176.300 -0.074 0.000 1.029 134 R CA 0.300 56.364 56.100 -0.060 0.000 1.018 134 R CB -0.084 30.127 30.300 -0.148 0.000 0.888 134 R HN 0.502 nan 8.270 nan 0.000 0.471 135 E N -0.487 119.639 120.200 -0.124 0.000 2.502 135 E HA 0.017 4.366 4.350 -0.001 0.000 0.194 135 E C -0.448 175.925 176.600 -0.379 0.000 1.062 135 E CA 0.267 56.500 56.400 -0.278 0.000 0.867 135 E CB 0.288 29.738 29.700 -0.417 0.000 0.888 135 E HN 0.077 nan 8.360 nan 0.000 0.510 136 F N -0.267 119.660 119.950 -0.039 0.000 2.497 136 F HA 0.220 4.746 4.527 -0.001 0.000 0.331 136 F C 1.270 177.075 175.800 0.007 0.000 1.060 136 F CA -0.797 57.204 58.000 0.002 0.000 0.989 136 F CB 1.201 40.224 39.000 0.040 0.000 1.245 136 F HN -0.223 nan 8.300 nan 0.000 0.486 137 D N 0.178 120.714 120.400 0.228 0.000 2.380 137 D HA 0.225 4.865 4.640 -0.001 0.000 0.212 137 D C 1.098 177.466 176.300 0.113 0.000 1.021 137 D CA 1.120 55.193 54.000 0.121 0.000 0.884 137 D CB 0.472 41.313 40.800 0.068 0.000 1.001 137 D HN 0.714 nan 8.370 nan 0.000 0.506 138 G N 1.727 110.613 108.800 0.144 0.000 2.796 138 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.226 138 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.226 138 G C -2.680 172.249 174.900 0.048 0.000 1.381 138 G CA -0.995 44.152 45.100 0.079 0.000 0.867 138 G HN -0.018 nan 8.290 nan 0.000 0.552 139 P HA 0.404 nan 4.420 nan 0.000 0.266 139 P C 0.733 178.040 177.300 0.013 0.000 1.195 139 P CA 0.935 64.050 63.100 0.025 0.000 0.768 139 P CB 0.941 32.644 31.700 0.005 0.000 0.838 140 A N 2.034 124.871 122.820 0.029 0.000 2.021 140 A HA 0.017 4.336 4.320 -0.001 0.000 0.216 140 A C 1.242 178.672 177.584 -0.256 0.000 1.163 140 A CA 1.221 53.200 52.037 -0.097 0.000 0.676 140 A CB -0.914 18.030 19.000 -0.094 0.000 0.818 140 A HN 0.504 nan 8.150 nan 0.000 0.453 141 F N -1.148 118.777 119.950 -0.041 0.000 2.532 141 F HA 0.422 4.949 4.527 -0.001 0.000 0.278 141 F C 1.767 177.540 175.800 -0.045 0.000 0.975 141 F CA 0.665 58.642 58.000 -0.037 0.000 1.292 141 F CB -0.483 38.492 39.000 -0.042 0.000 1.112 141 F HN 0.415 nan 8.300 nan 0.000 0.703 142 G N 1.382 110.273 108.800 0.152 0.000 2.692 142 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.248 142 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.248 142 G C 0.775 175.652 174.900 -0.038 0.000 1.340 142 G CA -0.002 45.105 45.100 0.012 0.000 0.896 142 G HN 0.262 nan 8.290 nan 0.000 0.570 143 I N 0.105 120.519 120.570 -0.260 0.000 2.118 143 I HA -0.191 3.979 4.170 -0.001 0.000 0.241 143 I C 2.703 178.689 176.117 -0.219 0.000 1.070 143 I CA 2.317 63.277 61.300 -0.566 0.000 1.327 143 I CB -0.321 37.230 38.000 -0.749 0.000 1.034 143 I HN 0.807 nan 8.210 nan 0.000 0.405 144 E N 0.997 121.124 120.200 -0.122 0.000 2.070 144 E HA -0.235 4.114 4.350 -0.001 0.000 0.197 144 E C 2.238 178.873 176.600 0.058 0.000 1.004 144 E CA 1.628 58.010 56.400 -0.031 0.000 0.805 144 E CB -0.272 29.409 29.700 -0.032 0.000 0.744 144 E HN 0.548 nan 8.360 nan 0.000 0.451 145 G N 0.258 109.125 108.800 0.111 0.000 2.422 145 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.218 145 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.218 145 G C 1.628 176.707 174.900 0.299 0.000 1.146 145 G CA 0.930 46.189 45.100 0.265 0.000 0.769 145 G HN 0.235 nan 8.290 nan 0.000 0.547 146 V N 0.350 120.411 119.914 0.246 0.000 2.407 146 V HA -0.061 4.059 4.120 -0.001 0.000 0.245 146 V C 2.847 179.101 176.094 0.267 0.000 1.041 146 V CA 1.496 63.953 62.300 0.261 0.000 1.040 146 V CB -0.427 31.639 31.823 0.404 0.000 0.671 146 V HN 0.265 nan 8.190 nan 0.000 0.455 147 R N 0.319 120.977 120.500 0.263 0.000 2.081 147 R HA -0.211 4.129 4.340 -0.001 0.000 0.235 147 R C 2.419 178.809 176.300 0.150 0.000 1.131 147 R CA 1.852 58.081 56.100 0.216 0.000 0.960 147 R CB -0.336 30.064 30.300 0.167 0.000 0.856 147 R HN 0.485 nan 8.270 nan 0.000 0.436 148 K N 1.120 121.599 120.400 0.133 0.000 2.026 148 K HA -0.170 4.150 4.320 -0.001 0.000 0.208 148 K C 2.206 178.878 176.600 0.121 0.000 1.048 148 K CA 1.647 58.001 56.287 0.112 0.000 0.929 148 K CB -0.135 32.427 32.500 0.104 0.000 0.713 148 K HN 0.085 nan 8.250 nan 0.000 0.439 149 M N 0.455 120.143 119.600 0.146 0.000 2.108 149 M HA -0.155 4.324 4.480 -0.001 0.000 0.261 149 M C 1.324 177.694 176.300 0.117 0.000 1.066 149 M CA 1.692 57.070 55.300 0.129 0.000 1.107 149 M CB 0.007 32.670 32.600 0.105 0.000 1.356 149 M HN 0.214 nan 8.290 nan 0.000 0.406 150 L N 0.083 121.385 121.223 0.133 0.000 2.592 150 L HA 0.146 4.486 4.340 -0.001 0.000 0.227 150 L C 0.063 176.990 176.870 0.094 0.000 1.127 150 L CA 0.029 54.939 54.840 0.117 0.000 0.884 150 L CB -0.264 41.876 42.059 0.134 0.000 1.065 150 L HN 0.373 nan 8.230 nan 0.000 0.457 151 E N 0.937 121.193 120.200 0.094 0.000 2.252 151 E HA -0.212 4.137 4.350 -0.001 0.000 0.218 151 E C -0.417 176.228 176.600 0.075 0.000 1.253 151 E CA 0.285 56.731 56.400 0.077 0.000 0.705 151 E CB -1.221 28.516 29.700 0.060 0.000 1.172 151 E HN 0.429 nan 8.360 nan 0.000 0.369 152 I N -0.460 120.166 120.570 0.093 0.000 2.466 152 I HA 0.192 4.362 4.170 -0.001 0.000 0.279 152 I C 1.201 177.378 176.117 0.101 0.000 1.033 152 I CA -0.102 61.253 61.300 0.092 0.000 1.123 152 I CB 1.132 39.195 38.000 0.105 0.000 1.237 152 I HN 0.190 nan 8.210 nan 0.000 0.460 153 K N 3.355 123.800 120.400 0.075 0.000 2.031 153 K HA -0.043 4.276 4.320 -0.001 0.000 0.205 153 K C 1.063 177.705 176.600 0.070 0.000 1.049 153 K CA 1.658 57.985 56.287 0.067 0.000 0.939 153 K CB -0.111 32.417 32.500 0.047 0.000 0.717 153 K HN 0.619 nan 8.250 nan 0.000 0.438 154 D N -1.427 119.011 120.400 0.065 0.000 2.753 154 D HA 0.070 4.710 4.640 -0.001 0.000 0.291 154 D C 0.715 177.054 176.300 0.065 0.000 1.075 154 D CA 0.027 54.061 54.000 0.057 0.000 0.946 154 D CB 0.025 40.845 40.800 0.034 0.000 1.376 154 D HN 0.546 nan 8.370 nan 0.000 0.482 155 R N 1.950 122.483 120.500 0.055 0.000 2.827 155 R HA 0.341 4.680 4.340 -0.001 0.000 0.269 155 R C -2.574 173.768 176.300 0.070 0.000 1.048 155 R CA -0.974 55.152 56.100 0.043 0.000 1.173 155 R CB -0.924 29.389 30.300 0.022 0.000 1.070 155 R HN -0.174 nan 8.270 nan 0.000 0.498 156 P HA 0.057 nan 4.420 nan 0.000 0.272 156 P C -0.438 176.884 177.300 0.037 0.000 1.223 156 P CA -0.234 62.895 63.100 0.047 0.000 0.784 156 P CB 0.408 32.119 31.700 0.017 0.000 0.923 157 I N 2.313 122.869 120.570 -0.023 0.000 2.474 157 I HA 0.164 4.333 4.170 -0.001 0.000 0.287 157 I C 0.025 176.203 176.117 0.102 0.000 1.048 157 I CA -0.330 60.975 61.300 0.008 0.000 1.383 157 I CB -0.484 37.446 38.000 -0.117 0.000 1.412 157 I HN 0.423 nan 8.210 nan 0.000 0.531 158 Y N 4.788 125.053 120.300 -0.059 0.000 2.425 158 Y HA 0.773 5.322 4.550 -0.001 0.000 0.344 158 Y C -0.285 175.295 175.900 -0.532 0.000 0.969 158 Y CA -0.825 57.167 58.100 -0.180 0.000 1.052 158 Y CB 1.876 40.238 38.460 -0.162 0.000 1.215 158 Y HN 0.701 nan 8.280 nan 0.000 0.451 159 G N 2.759 110.715 108.800 -1.407 0.000 2.649 159 G HA2 0.606 4.565 3.960 -0.001 0.000 0.290 159 G HA3 0.606 4.565 3.960 -0.001 0.000 0.290 159 G C -2.425 171.731 174.900 -1.241 0.000 1.426 159 G CA -0.890 42.815 45.100 -2.325 0.000 0.794 159 G HN 0.664 nan 8.290 nan 0.000 0.483 160 V N -0.135 119.246 119.914 -0.888 0.000 2.709 160 V HA 0.537 4.657 4.120 -0.001 0.000 0.308 160 V C -0.339 175.676 176.094 -0.132 0.000 1.062 160 V CA -0.749 61.336 62.300 -0.358 0.000 0.901 160 V CB 1.819 33.461 31.823 -0.302 0.000 1.003 160 V HN 0.625 nan 8.190 nan 0.000 0.425 161 V N 6.407 126.313 119.914 -0.012 0.000 2.407 161 V HA 0.346 4.465 4.120 -0.001 0.000 0.278 161 V C -2.253 173.865 176.094 0.040 0.000 1.037 161 V CA -1.922 60.414 62.300 0.061 0.000 0.900 161 V CB 1.731 33.615 31.823 0.102 0.000 0.983 161 V HN 0.747 nan 8.190 nan 0.000 0.459 162 P HA 0.186 nan 4.420 nan 0.000 0.267 162 P C -0.714 176.586 177.300 -0.001 0.000 1.205 162 P CA -0.033 63.034 63.100 -0.055 0.000 0.765 162 P CB 0.407 31.963 31.700 -0.239 0.000 0.828 163 K N 3.819 124.212 120.400 -0.012 0.000 2.316 163 K HA 0.474 4.793 4.320 -0.001 0.000 0.251 163 K C -2.293 174.323 176.600 0.027 0.000 0.934 163 K CA -2.089 54.226 56.287 0.046 0.000 0.802 163 K CB 0.867 33.399 32.500 0.053 0.000 1.171 163 K HN 0.325 nan 8.250 nan 0.000 0.426 164 P HA 0.113 nan 4.420 nan 0.000 0.268 164 P C 0.266 177.679 177.300 0.189 0.000 1.208 164 P CA -0.150 63.017 63.100 0.112 0.000 0.777 164 P CB 0.891 32.649 31.700 0.096 0.000 0.875 165 K N 0.051 120.530 120.400 0.133 0.000 2.044 165 K HA -0.066 4.254 4.320 -0.001 0.000 0.210 165 K C 1.054 177.747 176.600 0.156 0.000 1.049 165 K CA 1.607 57.975 56.287 0.135 0.000 0.927 165 K CB -0.373 32.169 32.500 0.069 0.000 0.713 165 K HN 0.524 nan 8.250 nan 0.000 0.443 166 V N -6.089 113.870 119.914 0.075 0.000 3.181 166 V HA 0.759 4.878 4.120 -0.001 0.000 0.308 166 V C 0.323 176.325 176.094 -0.154 0.000 1.214 166 V CA -0.414 61.854 62.300 -0.053 0.000 1.053 166 V CB 1.550 33.376 31.823 0.004 0.000 1.069 166 V HN 0.361 nan 8.190 nan 0.000 0.441 167 G N 0.394 108.940 108.800 -0.423 0.000 2.184 167 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.206 167 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.206 167 G C -0.342 174.408 174.900 -0.249 0.000 0.995 167 G CA 0.325 45.083 45.100 -0.570 0.000 0.651 167 G HN 2.261 nan 8.290 nan 0.000 0.511 168 Y N 1.313 121.562 120.300 -0.085 0.000 2.453 168 Y HA 0.829 5.378 4.550 -0.001 0.000 0.326 168 Y C 0.487 176.407 175.900 0.033 0.000 1.186 168 Y CA -1.058 57.032 58.100 -0.017 0.000 1.200 168 Y CB 1.104 39.577 38.460 0.021 0.000 1.247 168 Y HN 0.516 nan 8.280 nan 0.000 0.482 169 S N 0.468 116.286 115.700 0.196 0.000 2.687 169 S HA 0.453 4.923 4.470 -0.001 0.000 0.283 169 S C -2.236 172.484 174.600 0.200 0.000 1.170 169 S CA -1.450 56.819 58.200 0.115 0.000 1.008 169 S CB 1.686 64.943 63.200 0.096 0.000 1.026 169 S HN 0.566 nan 8.310 nan 0.000 0.541 170 P HA -0.025 nan 4.420 nan 0.000 0.218 170 P C 0.836 178.243 177.300 0.178 0.000 1.149 170 P CA 1.139 64.326 63.100 0.145 0.000 0.817 170 P CB 0.013 31.735 31.700 0.037 0.000 0.785 171 E N -0.151 120.115 120.200 0.110 0.000 2.072 171 E HA -0.157 4.192 4.350 -0.001 0.000 0.190 171 E C 1.929 178.571 176.600 0.070 0.000 0.982 171 E CA 1.088 57.528 56.400 0.067 0.000 0.803 171 E CB -0.673 29.053 29.700 0.043 0.000 0.755 171 E HN 0.385 nan 8.360 nan 0.000 0.453 172 E N 0.047 120.315 120.200 0.114 0.000 2.077 172 E HA -0.187 4.163 4.350 -0.001 0.000 0.193 172 E C 1.765 178.424 176.600 0.099 0.000 0.989 172 E CA 0.936 57.395 56.400 0.098 0.000 0.800 172 E CB -0.248 29.529 29.700 0.129 0.000 0.746 172 E HN 0.190 nan 8.360 nan 0.000 0.452 173 F N 2.316 122.278 119.950 0.019 0.000 2.120 173 F HA -0.260 4.266 4.527 -0.001 0.000 0.300 173 F C 2.202 177.949 175.800 -0.087 0.000 1.095 173 F CA 2.013 59.981 58.000 -0.054 0.000 1.249 173 F CB -0.274 38.768 39.000 0.070 0.000 0.995 173 F HN -0.024 nan 8.300 nan 0.000 0.480 174 E N 0.667 120.790 120.200 -0.128 0.000 2.048 174 E HA -0.307 4.043 4.350 -0.001 0.000 0.202 174 E C 2.199 178.649 176.600 -0.250 0.000 1.021 174 E CA 2.572 58.823 56.400 -0.249 0.000 0.825 174 E CB -0.238 29.393 29.700 -0.115 0.000 0.756 174 E HN 0.549 nan 8.360 nan 0.000 0.454 175 K N 0.216 120.525 120.400 -0.152 0.000 2.097 175 K HA -0.152 4.167 4.320 -0.001 0.000 0.205 175 K C 2.384 178.923 176.600 -0.102 0.000 1.050 175 K CA 1.080 57.310 56.287 -0.095 0.000 0.938 175 K CB -0.536 31.924 32.500 -0.067 0.000 0.718 175 K HN 0.192 nan 8.250 nan 0.000 0.442 176 L N 2.138 123.260 121.223 -0.170 0.000 1.971 176 L HA -0.165 4.174 4.340 -0.001 0.000 0.215 176 L C 2.582 179.290 176.870 -0.270 0.000 1.072 176 L CA 2.227 56.951 54.840 -0.193 0.000 0.758 176 L CB -0.928 41.011 42.059 -0.200 0.000 0.889 176 L HN 0.274 nan 8.230 nan 0.000 0.433 177 A N -1.535 120.996 122.820 -0.482 0.000 1.908 177 A HA -0.314 4.006 4.320 -0.001 0.000 0.218 177 A C 2.334 179.732 177.584 -0.310 0.000 1.181 177 A CA 1.997 53.714 52.037 -0.533 0.000 0.627 177 A CB -1.336 17.084 19.000 -0.966 0.000 0.818 177 A HN 0.690 nan 8.150 nan 0.000 0.445 178 Y N 1.142 121.241 120.300 -0.334 0.000 2.128 178 Y HA -0.242 4.308 4.550 -0.001 0.000 0.284 178 Y C 1.944 177.736 175.900 -0.180 0.000 1.154 178 Y CA 2.138 60.101 58.100 -0.229 0.000 1.149 178 Y CB -0.218 38.127 38.460 -0.192 0.000 0.976 178 Y HN 0.356 nan 8.280 nan 0.000 0.505 179 D N 0.244 120.550 120.400 -0.156 0.000 2.097 179 D HA -0.192 4.448 4.640 -0.001 0.000 0.195 179 D C 2.384 178.541 176.300 -0.238 0.000 0.989 179 D CA 1.663 55.545 54.000 -0.197 0.000 0.827 179 D CB -0.514 40.238 40.800 -0.080 0.000 0.966 179 D HN 0.403 nan 8.370 nan 0.000 0.456 180 L N 0.339 121.432 121.223 -0.218 0.000 1.989 180 L HA -0.166 4.174 4.340 -0.001 0.000 0.211 180 L C 2.623 179.349 176.870 -0.240 0.000 1.071 180 L CA 0.886 55.600 54.840 -0.209 0.000 0.749 180 L CB -0.443 41.482 42.059 -0.223 0.000 0.890 180 L HN 0.043 nan 8.230 nan 0.000 0.431 181 L N -1.303 119.750 121.223 -0.282 0.000 2.093 181 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 181 L C 2.624 179.336 176.870 -0.263 0.000 1.085 181 L CA 0.824 55.504 54.840 -0.266 0.000 0.755 181 L CB -0.513 41.396 42.059 -0.249 0.000 0.904 181 L HN 0.159 nan 8.230 nan 0.000 0.435 182 S N -0.324 115.157 115.700 -0.366 0.000 2.447 182 S HA -0.062 4.408 4.470 -0.001 0.000 0.233 182 S C 1.339 175.806 174.600 -0.221 0.000 1.006 182 S CA 0.850 58.829 58.200 -0.367 0.000 0.957 182 S CB -0.174 62.663 63.200 -0.605 0.000 0.773 182 S HN 0.438 nan 8.310 nan 0.000 0.507 183 N N -0.073 118.516 118.700 -0.185 0.000 2.273 183 N HA 0.236 4.975 4.740 -0.001 0.000 0.231 183 N C 0.861 176.335 175.510 -0.059 0.000 1.134 183 N CA 0.600 53.583 53.050 -0.113 0.000 0.856 183 N CB 1.283 39.706 38.487 -0.108 0.000 1.068 183 N HN 0.479 nan 8.380 nan 0.000 0.510 184 G N 0.206 108.969 108.800 -0.062 0.000 2.380 184 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.197 184 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.197 184 G C 0.261 175.170 174.900 0.016 0.000 1.001 184 G CA -0.093 45.009 45.100 0.003 0.000 0.668 184 G HN 0.474 nan 8.290 nan 0.000 0.483 185 A N 0.786 123.536 122.820 -0.116 0.000 2.511 185 A HA 0.494 4.813 4.320 -0.001 0.000 0.242 185 A C 1.119 178.484 177.584 -0.364 0.000 1.069 185 A CA 1.033 52.800 52.037 -0.450 0.000 0.763 185 A CB 0.239 18.893 19.000 -0.576 0.000 1.001 185 A HN 0.211 nan 8.150 nan 0.000 0.498 186 D N -0.211 119.928 120.400 -0.436 0.000 2.289 186 D HA 0.126 4.765 4.640 -0.001 0.000 0.207 186 D C -0.138 176.054 176.300 -0.179 0.000 0.966 186 D CA 1.741 55.618 54.000 -0.206 0.000 0.868 186 D CB 0.064 40.828 40.800 -0.059 0.000 0.943 186 D HN 0.711 nan 8.370 nan 0.000 0.514 187 Y N -2.042 118.011 120.300 -0.413 0.000 2.604 187 Y HA 0.477 5.026 4.550 -0.001 0.000 0.331 187 Y C -0.929 174.695 175.900 -0.459 0.000 1.158 187 Y CA -1.443 56.377 58.100 -0.466 0.000 1.056 187 Y CB 0.530 38.512 38.460 -0.797 0.000 1.330 187 Y HN -0.400 nan 8.280 nan 0.000 0.457 191 D N 0.538 120.973 120.400 0.059 0.000 2.378 191 D HA 0.010 4.650 4.640 -0.001 0.000 0.238 191 D C 1.550 177.782 176.300 -0.114 0.000 1.180 191 D CA 0.047 54.047 54.000 -0.000 0.000 0.895 191 D CB 0.967 41.788 40.800 0.035 0.000 1.192 191 D HN 0.311 nan 8.370 nan 0.000 0.438 192 E N 1.734 121.769 120.200 -0.275 0.000 2.338 192 E HA -0.203 4.146 4.350 -0.001 0.000 0.197 192 E C 0.505 176.977 176.600 -0.214 0.000 1.007 192 E CA 0.800 56.939 56.400 -0.436 0.000 0.849 192 E CB -0.349 28.751 29.700 -0.999 0.000 0.774 192 E HN 0.575 nan 8.360 nan 0.000 0.506 193 N N 0.929 119.554 118.700 -0.125 0.000 2.236 193 N HA 0.011 4.751 4.740 -0.001 0.000 0.196 193 N C 0.357 175.833 175.510 -0.056 0.000 1.114 193 N CA -0.299 52.709 53.050 -0.071 0.000 0.859 193 N CB -0.180 38.285 38.487 -0.037 0.000 0.982 193 N HN 0.091 nan 8.380 nan 0.000 0.493 194 L N 2.528 123.714 121.223 -0.062 0.000 2.312 194 L HA 0.312 4.651 4.340 -0.001 0.000 0.287 194 L C 0.796 177.628 176.870 -0.063 0.000 1.091 194 L CA 0.091 54.884 54.840 -0.078 0.000 0.846 194 L CB 0.218 42.228 42.059 -0.081 0.000 1.219 194 L HN 0.258 nan 8.230 nan 0.000 0.439 195 T N -0.036 114.470 114.554 -0.080 0.000 2.589 195 T HA 0.249 4.598 4.350 -0.001 0.000 0.178 195 T C 0.547 175.235 174.700 -0.020 0.000 0.708 195 T CA 0.237 62.317 62.100 -0.034 0.000 1.734 195 T CB 0.021 68.856 68.868 -0.054 0.000 2.792 195 T HN 0.336 nan 8.240 nan 0.000 0.406 196 S N 2.950 118.608 115.700 -0.069 0.000 2.399 196 S HA 0.435 4.905 4.470 -0.001 0.000 0.198 196 S C -2.677 171.823 174.600 -0.167 0.000 1.294 196 S CA -1.243 56.913 58.200 -0.072 0.000 1.237 196 S CB -0.032 63.182 63.200 0.024 0.000 1.286 196 S HN 0.488 nan 8.310 nan 0.000 0.404 197 P HA 0.207 nan 4.420 nan 0.000 0.277 197 P C 1.540 178.550 177.300 -0.484 0.000 1.271 197 P CA -0.696 62.133 63.100 -0.451 0.000 0.795 197 P CB 0.292 31.480 31.700 -0.854 0.000 1.101 198 W N 1.446 122.598 121.300 -0.247 0.000 2.342 198 W HA -0.239 4.421 4.660 0.000 0.000 0.297 198 W C 1.591 178.046 176.519 -0.106 0.000 1.213 198 W CA 1.325 58.603 57.345 -0.111 0.000 1.251 198 W CB -2.153 27.309 29.460 0.003 0.000 1.136 198 W HN 0.396 nan 8.180 nan 0.000 0.526 199 Y N 0.375 120.076 120.300 -0.998 0.000 2.616 199 Y HA 0.270 4.819 4.550 -0.001 0.000 0.296 199 Y C 0.727 176.369 175.900 -0.430 0.000 1.154 199 Y CA 0.823 58.403 58.100 -0.867 0.000 1.325 199 Y CB -0.992 36.670 38.460 -1.329 0.000 1.007 199 Y HN -0.083 nan 8.280 nan 0.000 0.542 200 N N 1.186 119.503 118.700 -0.637 0.000 2.946 200 N HA 0.072 4.812 4.740 -0.001 0.000 0.213 200 N C -1.422 173.899 175.510 -0.314 0.000 1.440 200 N CA -0.258 52.544 53.050 -0.412 0.000 0.745 200 N CB 0.571 38.766 38.487 -0.487 0.000 1.471 200 N HN 0.078 nan 8.380 nan 0.000 0.569 201 R N 1.384 121.785 120.500 -0.165 0.000 2.570 201 R HA 0.051 4.391 4.340 -0.001 0.000 0.277 201 R C 1.361 177.667 176.300 0.009 0.000 1.039 201 R CA -0.263 55.804 56.100 -0.054 0.000 1.065 201 R CB 0.121 30.423 30.300 0.004 0.000 0.964 201 R HN 0.447 nan 8.270 nan 0.000 0.428 202 F N 3.668 123.585 119.950 -0.056 0.000 2.063 202 F HA -0.323 4.204 4.527 -0.001 0.000 0.298 202 F C 2.276 178.117 175.800 0.068 0.000 1.109 202 F CA 2.326 60.338 58.000 0.020 0.000 1.212 202 F CB 0.157 39.165 39.000 0.012 0.000 0.973 202 F HN 0.616 nan 8.300 nan 0.000 0.480 203 E N 0.379 120.749 120.200 0.283 0.000 2.153 203 E HA -0.231 4.118 4.350 -0.001 0.000 0.194 203 E C 1.789 178.410 176.600 0.036 0.000 0.988 203 E CA 1.665 58.176 56.400 0.185 0.000 0.811 203 E CB -0.906 28.898 29.700 0.174 0.000 0.746 203 E HN 0.639 nan 8.360 nan 0.000 0.466 204 E N 1.176 121.378 120.200 0.005 0.000 2.028 204 E HA -0.159 4.191 4.350 -0.001 0.000 0.191 204 E C 2.399 178.950 176.600 -0.082 0.000 0.988 204 E CA 1.517 57.900 56.400 -0.027 0.000 0.799 204 E CB -0.234 29.455 29.700 -0.018 0.000 0.755 204 E HN 0.392 nan 8.360 nan 0.000 0.447 205 R N 1.020 121.434 120.500 -0.143 0.000 2.148 205 R HA 0.050 4.389 4.340 -0.001 0.000 0.227 205 R C 2.237 178.283 176.300 -0.423 0.000 1.103 205 R CA 1.101 57.063 56.100 -0.230 0.000 0.983 205 R CB -0.340 29.759 30.300 -0.335 0.000 0.874 205 R HN 0.058 nan 8.270 nan 0.000 0.451 206 A N 2.090 124.706 122.820 -0.340 0.000 1.883 206 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 206 A C 2.013 179.514 177.584 -0.138 0.000 1.186 206 A CA 1.559 53.466 52.037 -0.217 0.000 0.624 206 A CB -0.366 18.632 19.000 -0.003 0.000 0.822 206 A HN 0.411 nan 8.150 nan 0.000 0.444 207 E N -0.184 119.966 120.200 -0.083 0.000 2.085 207 E HA -0.182 4.168 4.350 -0.001 0.000 0.194 207 E C 2.029 178.577 176.600 -0.086 0.000 0.994 207 E CA 1.325 57.695 56.400 -0.052 0.000 0.801 207 E CB -0.400 29.284 29.700 -0.027 0.000 0.743 207 E HN 0.739 nan 8.360 nan 0.000 0.453 208 I N 0.700 121.200 120.570 -0.118 0.000 2.226 208 I HA -0.268 3.901 4.170 -0.001 0.000 0.245 208 I C 2.535 178.540 176.117 -0.187 0.000 1.100 208 I CA 0.877 62.102 61.300 -0.126 0.000 1.374 208 I CB -0.194 37.757 38.000 -0.082 0.000 1.057 208 I HN 0.101 nan 8.210 nan 0.000 0.413 209 M N 0.244 119.661 119.600 -0.305 0.000 2.175 209 M HA -0.118 4.362 4.480 -0.001 0.000 0.264 209 M C 2.618 178.828 176.300 -0.150 0.000 1.063 209 M CA 1.759 56.847 55.300 -0.354 0.000 1.119 209 M CB -1.322 30.802 32.600 -0.793 0.000 1.377 209 M HN 0.288 nan 8.290 nan 0.000 0.415 210 A N 0.853 123.623 122.820 -0.083 0.000 1.883 210 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 210 A C 2.508 180.080 177.584 -0.021 0.000 1.186 210 A CA 3.180 55.213 52.037 -0.007 0.000 0.624 210 A CB -1.056 17.953 19.000 0.014 0.000 0.822 210 A HN 0.492 nan 8.150 nan 0.000 0.444 211 K N -0.119 120.254 120.400 -0.046 0.000 2.057 211 K HA 0.081 4.400 4.320 -0.001 0.000 0.206 211 K C 1.892 178.469 176.600 -0.038 0.000 1.050 211 K CA 1.450 57.713 56.287 -0.040 0.000 0.935 211 K CB -0.965 31.504 32.500 -0.052 0.000 0.715 211 K HN 0.570 nan 8.250 nan 0.000 0.439 212 I N 0.222 120.755 120.570 -0.062 0.000 2.202 212 I HA -0.200 3.970 4.170 -0.001 0.000 0.242 212 I C 2.537 178.646 176.117 -0.013 0.000 1.091 212 I CA 1.285 62.564 61.300 -0.035 0.000 1.368 212 I CB -0.250 37.691 38.000 -0.099 0.000 1.058 212 I HN 0.227 nan 8.210 nan 0.000 0.410 213 I N 0.804 121.355 120.570 -0.032 0.000 2.151 213 I HA -0.350 3.820 4.170 -0.001 0.000 0.243 213 I C 2.113 178.235 176.117 0.007 0.000 1.080 213 I CA 1.519 62.814 61.300 -0.008 0.000 1.339 213 I CB -0.495 37.518 38.000 0.023 0.000 1.039 213 I HN 0.267 nan 8.210 nan 0.000 0.409 214 D N 0.636 121.042 120.400 0.011 0.000 2.117 214 D HA -0.200 4.440 4.640 -0.001 0.000 0.197 214 D C 2.083 178.394 176.300 0.019 0.000 0.987 214 D CA 1.178 55.187 54.000 0.015 0.000 0.829 214 D CB -0.193 40.614 40.800 0.012 0.000 0.961 214 D HN 0.261 nan 8.370 nan 0.000 0.460 215 K N 0.606 121.021 120.400 0.025 0.000 2.002 215 K HA -0.112 4.207 4.320 -0.001 0.000 0.209 215 K C 2.031 178.669 176.600 0.065 0.000 1.048 215 K CA 0.981 57.298 56.287 0.050 0.000 0.930 215 K CB -0.109 32.433 32.500 0.071 0.000 0.714 215 K HN -0.079 nan 8.250 nan 0.000 0.438 216 V N 1.928 121.875 119.914 0.054 0.000 2.343 216 V HA -0.220 3.899 4.120 -0.001 0.000 0.247 216 V C 2.086 178.168 176.094 -0.021 0.000 1.051 216 V CA 1.874 64.167 62.300 -0.012 0.000 1.036 216 V CB -0.444 31.320 31.823 -0.098 0.000 0.654 216 V HN 0.401 nan 8.190 nan 0.000 0.451 217 E N 1.275 121.471 120.200 -0.007 0.000 2.058 217 E HA -0.242 4.107 4.350 -0.001 0.000 0.194 217 E C 1.820 178.423 176.600 0.004 0.000 0.997 217 E CA 1.676 58.075 56.400 -0.001 0.000 0.801 217 E CB -0.319 29.388 29.700 0.012 0.000 0.746 217 E HN 0.823 nan 8.360 nan 0.000 0.450 218 N N 0.374 119.081 118.700 0.011 0.000 2.412 218 N HA -0.069 4.671 4.740 -0.001 0.000 0.184 218 N C 1.103 176.620 175.510 0.011 0.000 1.101 218 N CA 0.473 53.531 53.050 0.012 0.000 0.881 218 N CB 0.042 38.537 38.487 0.014 0.000 0.969 218 N HN 0.184 nan 8.380 nan 0.000 0.459 219 E N -0.405 119.802 120.200 0.012 0.000 2.122 219 E HA -0.054 4.296 4.350 -0.001 0.000 0.190 219 E C 1.032 177.629 176.600 -0.005 0.000 0.977 219 E CA 1.573 57.980 56.400 0.011 0.000 0.820 219 E CB 0.143 29.860 29.700 0.030 0.000 0.770 219 E HN 0.642 nan 8.360 nan 0.000 0.462 220 T N -3.953 110.591 114.554 -0.017 0.000 3.001 220 T HA 0.259 4.608 4.350 -0.001 0.000 0.251 220 T C 1.546 176.239 174.700 -0.012 0.000 1.040 220 T CA 0.525 62.610 62.100 -0.024 0.000 0.985 220 T CB 0.872 69.711 68.868 -0.048 0.000 1.011 220 T HN 0.224 nan 8.240 nan 0.000 0.509 221 G N 1.566 110.363 108.800 -0.004 0.000 2.168 221 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.263 221 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.263 221 G C -0.165 174.738 174.900 0.006 0.000 0.977 221 G CA 0.340 45.442 45.100 0.004 0.000 0.659 221 G HN 0.648 nan 8.290 nan 0.000 0.533 222 E N 0.375 120.574 120.200 -0.002 0.000 2.248 222 E HA 0.435 4.785 4.350 -0.001 0.000 0.272 222 E C 0.067 176.671 176.600 0.007 0.000 1.008 222 E CA -0.698 55.703 56.400 0.001 0.000 0.856 222 E CB 1.072 30.763 29.700 -0.014 0.000 1.120 222 E HN 0.089 nan 8.360 nan 0.000 0.397 223 K N 2.090 122.503 120.400 0.021 0.000 2.205 223 K HA 0.326 4.646 4.320 -0.001 0.000 0.279 223 K C 0.065 176.682 176.600 0.029 0.000 1.027 223 K CA -0.467 55.841 56.287 0.035 0.000 0.932 223 K CB 0.863 33.397 32.500 0.057 0.000 1.032 223 K HN 0.255 nan 8.250 nan 0.000 0.466 224 K N 0.804 121.223 120.400 0.033 0.000 2.395 224 K HA 0.537 4.857 4.320 -0.001 0.000 0.247 224 K C -0.054 176.592 176.600 0.076 0.000 0.973 224 K CA -0.689 55.613 56.287 0.024 0.000 0.828 224 K CB 2.267 34.755 32.500 -0.020 0.000 1.272 224 K HN 0.645 nan 8.250 nan 0.000 0.439 225 T N -0.748 113.859 114.554 0.088 0.000 2.681 225 T HA 0.662 5.011 4.350 -0.001 0.000 0.296 225 T C -2.057 172.749 174.700 0.177 0.000 1.157 225 T CA -0.548 61.651 62.100 0.164 0.000 1.025 225 T CB 0.901 69.911 68.868 0.237 0.000 1.441 225 T HN 0.539 nan 8.240 nan 0.000 0.504 226 W N 2.379 123.677 121.300 -0.002 0.000 3.326 226 W HA 0.611 5.271 4.660 -0.001 0.000 0.333 226 W C -2.352 174.240 176.519 0.122 0.000 1.108 226 W CA -1.814 55.509 57.345 -0.037 0.000 1.245 226 W CB 0.775 30.252 29.460 0.029 0.000 1.331 226 W HN 0.407 nan 8.180 nan 0.000 0.464 227 F N 5.816 125.511 119.950 -0.424 0.000 2.423 227 F HA 0.531 5.057 4.527 -0.001 0.000 0.356 227 F C 0.889 176.159 175.800 -0.884 0.000 1.170 227 F CA -1.413 56.236 58.000 -0.585 0.000 1.163 227 F CB -0.371 38.285 39.000 -0.574 0.000 1.318 227 F HN 0.454 nan 8.300 nan 0.000 0.569 228 A N 3.193 125.423 122.820 -0.984 0.000 2.279 228 A HA 0.283 4.603 4.320 -0.001 0.000 0.306 228 A C 0.433 177.837 177.584 -0.300 0.000 1.300 228 A CA -0.635 50.662 52.037 -1.232 0.000 0.925 228 A CB -0.126 17.782 19.000 -1.820 0.000 1.152 228 A HN 0.547 nan 8.150 nan 0.000 0.544 229 N N 3.070 121.710 118.700 -0.099 0.000 2.406 229 N HA 0.037 4.776 4.740 -0.001 0.000 0.269 229 N C 0.852 176.433 175.510 0.117 0.000 1.210 229 N CA -0.306 52.752 53.050 0.013 0.000 0.966 229 N CB 0.094 38.575 38.487 -0.009 0.000 1.293 229 N HN 0.662 nan 8.380 nan 0.000 0.491 230 I N -0.077 120.486 120.570 -0.012 0.000 3.564 230 I HA 0.120 4.289 4.170 -0.001 0.000 0.294 230 I C -0.094 175.922 176.117 -0.169 0.000 1.289 230 I CA -0.151 61.024 61.300 -0.208 0.000 1.325 230 I CB -0.542 37.322 38.000 -0.227 0.000 1.039 230 I HN 0.096 nan 8.210 nan 0.000 0.474 231 T N 3.491 117.985 114.554 -0.101 0.000 2.849 231 T HA 0.388 4.737 4.350 -0.001 0.000 0.289 231 T C 0.180 174.827 174.700 -0.089 0.000 1.010 231 T CA 0.772 62.818 62.100 -0.089 0.000 1.161 231 T CB 0.316 69.136 68.868 -0.080 0.000 0.989 231 T HN 0.733 nan 8.240 nan 0.000 0.523 232 A N 3.476 126.250 122.820 -0.077 0.000 2.375 232 A HA 0.469 4.789 4.320 -0.001 0.000 0.299 232 A C -1.283 176.274 177.584 -0.045 0.000 1.044 232 A CA -1.012 50.985 52.037 -0.066 0.000 0.585 232 A CB 0.416 19.361 19.000 -0.092 0.000 1.438 232 A HN 0.626 nan 8.150 nan 0.000 0.574 233 D N 0.015 120.395 120.400 -0.035 0.000 2.378 233 D HA 0.226 4.866 4.640 -0.001 0.000 0.238 233 D C 1.471 177.762 176.300 -0.015 0.000 1.180 233 D CA -0.056 53.932 54.000 -0.019 0.000 0.895 233 D CB 0.922 41.714 40.800 -0.014 0.000 1.192 233 D HN 0.535 nan 8.370 nan 0.000 0.438 234 L N 2.135 123.360 121.223 0.003 0.000 1.978 234 L HA -0.248 4.092 4.340 -0.001 0.000 0.218 234 L C 2.273 179.163 176.870 0.033 0.000 1.075 234 L CA 1.753 56.611 54.840 0.030 0.000 0.767 234 L CB -0.607 41.471 42.059 0.032 0.000 0.890 234 L HN 0.478 nan 8.230 nan 0.000 0.434 235 L N -0.980 120.253 121.223 0.018 0.000 2.042 235 L HA -0.252 4.088 4.340 -0.001 0.000 0.210 235 L C 2.518 179.385 176.870 -0.005 0.000 1.076 235 L CA 1.563 56.414 54.840 0.018 0.000 0.749 235 L CB -0.704 41.361 42.059 0.009 0.000 0.893 235 L HN 0.302 nan 8.230 nan 0.000 0.432 236 E N -0.326 119.857 120.200 -0.030 0.000 2.110 236 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 236 E C 2.261 178.791 176.600 -0.116 0.000 0.988 236 E CA 1.170 57.527 56.400 -0.071 0.000 0.804 236 E CB -0.148 29.505 29.700 -0.078 0.000 0.745 236 E HN 0.395 nan 8.360 nan 0.000 0.458 237 M N 0.045 119.594 119.600 -0.086 0.000 2.175 237 M HA -0.160 4.320 4.480 -0.001 0.000 0.264 237 M C 1.913 178.169 176.300 -0.073 0.000 1.063 237 M CA 1.393 56.630 55.300 -0.106 0.000 1.119 237 M CB -0.253 32.314 32.600 -0.055 0.000 1.377 237 M HN 0.116 nan 8.290 nan 0.000 0.415 238 E N 0.194 120.394 120.200 -0.001 0.000 2.077 238 E HA -0.230 4.119 4.350 -0.001 0.000 0.193 238 E C 2.040 178.652 176.600 0.020 0.000 0.989 238 E CA 1.196 57.626 56.400 0.050 0.000 0.800 238 E CB -0.168 29.597 29.700 0.109 0.000 0.746 238 E HN 0.587 nan 8.360 nan 0.000 0.452 239 Q N 0.386 120.171 119.800 -0.025 0.000 2.084 239 Q HA -0.155 4.185 4.340 -0.001 0.000 0.202 239 Q C 2.198 178.135 176.000 -0.105 0.000 0.978 239 Q CA 1.293 57.070 55.803 -0.044 0.000 0.844 239 Q CB -0.084 28.625 28.738 -0.048 0.000 0.898 239 Q HN 0.156 nan 8.270 nan 0.000 0.426 240 R N 0.129 120.488 120.500 -0.234 0.000 2.090 240 R HA -0.037 4.302 4.340 -0.001 0.000 0.228 240 R C 2.268 178.449 176.300 -0.198 0.000 1.110 240 R CA 0.766 56.598 56.100 -0.448 0.000 0.973 240 R CB -0.194 29.451 30.300 -1.091 0.000 0.869 240 R HN 0.202 nan 8.270 nan 0.000 0.440 241 L N 0.674 121.820 121.223 -0.128 0.000 2.042 241 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 241 L C 2.615 179.339 176.870 -0.244 0.000 1.076 241 L CA 1.486 56.289 54.840 -0.061 0.000 0.749 241 L CB -0.386 41.730 42.059 0.095 0.000 0.893 241 L HN 0.302 nan 8.230 nan 0.000 0.432 242 E N -0.065 120.007 120.200 -0.214 0.000 2.077 242 E HA -0.193 4.156 4.350 -0.001 0.000 0.193 242 E C 2.242 178.716 176.600 -0.211 0.000 0.989 242 E CA 1.296 57.486 56.400 -0.349 0.000 0.800 242 E CB 0.143 29.791 29.700 -0.087 0.000 0.746 242 E HN 0.253 nan 8.360 nan 0.000 0.452 243 V N 1.446 121.330 119.914 -0.051 0.000 2.287 243 V HA -0.288 3.831 4.120 -0.001 0.000 0.248 243 V C 2.468 178.606 176.094 0.073 0.000 1.053 243 V CA 1.611 63.950 62.300 0.066 0.000 1.027 243 V CB -0.445 31.517 31.823 0.232 0.000 0.646 243 V HN 0.355 nan 8.190 nan 0.000 0.447 244 L N -0.099 121.176 121.223 0.087 0.000 2.042 244 L HA -0.187 4.153 4.340 -0.001 0.000 0.210 244 L C 2.715 179.568 176.870 -0.028 0.000 1.076 244 L CA 1.698 56.586 54.840 0.080 0.000 0.749 244 L CB -0.834 41.270 42.059 0.074 0.000 0.893 244 L HN 0.377 nan 8.230 nan 0.000 0.432 245 A N -0.245 122.455 122.820 -0.200 0.000 1.898 245 A HA -0.207 4.113 4.320 -0.001 0.000 0.216 245 A C 1.906 179.421 177.584 -0.116 0.000 1.181 245 A CA 1.825 53.715 52.037 -0.245 0.000 0.620 245 A CB -0.482 18.093 19.000 -0.709 0.000 0.819 245 A HN 0.341 nan 8.150 nan 0.000 0.442 246 D N -0.125 120.210 120.400 -0.108 0.000 2.218 246 D HA -0.062 4.577 4.640 -0.001 0.000 0.204 246 D C 1.528 177.830 176.300 0.003 0.000 0.976 246 D CA 0.844 54.823 54.000 -0.034 0.000 0.853 246 D CB -0.173 40.614 40.800 -0.022 0.000 0.939 246 D HN 0.447 nan 8.370 nan 0.000 0.481 247 L N -0.681 120.554 121.223 0.019 0.000 2.592 247 L HA 0.194 4.534 4.340 -0.001 0.000 0.227 247 L C 1.368 178.267 176.870 0.048 0.000 1.127 247 L CA 0.201 55.066 54.840 0.042 0.000 0.884 247 L CB 0.069 42.170 42.059 0.069 0.000 1.065 247 L HN 0.067 nan 8.230 nan 0.000 0.457 248 G N 0.609 109.432 108.800 0.038 0.000 2.160 248 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.251 248 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.251 248 G C 0.283 175.222 174.900 0.066 0.000 1.008 248 G CA 0.048 45.177 45.100 0.048 0.000 0.724 248 G HN 0.239 nan 8.290 nan 0.000 0.514 249 L N -1.268 120.005 121.223 0.083 0.000 2.476 249 L HA 0.441 4.781 4.340 -0.001 0.000 0.255 249 L C 1.740 178.656 176.870 0.076 0.000 1.218 249 L CA 0.042 54.954 54.840 0.121 0.000 0.819 249 L CB 0.516 42.691 42.059 0.193 0.000 1.119 249 L HN 0.119 nan 8.230 nan 0.000 0.485 250 K N -1.164 119.288 120.400 0.087 0.000 2.464 250 K HA 0.227 4.546 4.320 -0.001 0.000 0.206 250 K C -0.440 176.036 176.600 -0.206 0.000 1.186 250 K CA -0.092 56.176 56.287 -0.032 0.000 0.990 250 K CB 0.736 33.245 32.500 0.015 0.000 1.003 250 K HN 0.461 nan 8.250 nan 0.000 0.562 251 H N -0.455 118.580 119.070 -0.058 0.000 2.821 251 H HA 0.588 5.143 4.556 -0.001 0.000 0.373 251 H C -1.401 173.841 175.328 -0.142 0.000 1.165 251 H CA -0.672 55.306 56.048 -0.118 0.000 1.154 251 H CB 2.190 31.936 29.762 -0.026 0.000 1.765 251 H HN 0.124 nan 8.280 nan 0.000 0.549 252 A N 2.669 125.465 122.820 -0.040 0.000 2.393 252 A HA 0.551 4.871 4.320 -0.001 0.000 0.306 252 A C -0.989 176.544 177.584 -0.085 0.000 1.050 252 A CA -0.788 51.204 52.037 -0.076 0.000 0.724 252 A CB 1.203 20.173 19.000 -0.050 0.000 1.248 252 A HN 0.700 nan 8.150 nan 0.000 0.424 253 M N 3.161 122.704 119.600 -0.096 0.000 2.336 253 M HA 0.720 5.200 4.480 -0.001 0.000 0.342 253 M C -1.895 174.365 176.300 -0.067 0.000 1.128 253 M CA -0.463 54.802 55.300 -0.058 0.000 1.016 253 M CB 1.404 33.989 32.600 -0.026 0.000 1.665 253 M HN 0.404 nan 8.290 nan 0.000 0.445 254 V N 3.432 123.298 119.914 -0.081 0.000 2.638 254 V HA 0.328 4.447 4.120 -0.001 0.000 0.306 254 V C -1.119 174.906 176.094 -0.115 0.000 1.052 254 V CA -0.893 61.344 62.300 -0.105 0.000 0.885 254 V CB 2.072 33.819 31.823 -0.127 0.000 0.999 254 V HN 0.771 nan 8.190 nan 0.000 0.424 255 D N 3.160 123.499 120.400 -0.102 0.000 2.402 255 D HA 0.153 4.792 4.640 -0.001 0.000 0.235 255 D C 1.228 177.440 176.300 -0.147 0.000 1.226 255 D CA 0.030 53.979 54.000 -0.085 0.000 0.918 255 D CB 1.559 42.320 40.800 -0.065 0.000 1.043 255 D HN 0.470 nan 8.370 nan 0.000 0.506 256 V N 0.794 120.553 119.914 -0.258 0.000 2.453 256 V HA -0.189 3.930 4.120 -0.001 0.000 0.247 256 V C 1.913 177.807 176.094 -0.333 0.000 1.048 256 V CA 0.828 62.888 62.300 -0.400 0.000 1.049 256 V CB -0.681 30.643 31.823 -0.831 0.000 0.672 256 V HN 0.289 nan 8.190 nan 0.000 0.457 257 V N 0.422 120.207 119.914 -0.215 0.000 2.307 257 V HA -0.157 3.963 4.120 -0.001 0.000 0.245 257 V C 2.522 178.578 176.094 -0.063 0.000 1.045 257 V CA 2.404 64.663 62.300 -0.067 0.000 1.024 257 V CB -0.531 31.350 31.823 0.096 0.000 0.651 257 V HN 0.432 nan 8.190 nan 0.000 0.449 258 I N -0.004 120.538 120.570 -0.046 0.000 2.179 258 I HA -0.239 3.931 4.170 -0.001 0.000 0.242 258 I C 2.595 178.678 176.117 -0.057 0.000 1.088 258 I CA 1.831 63.113 61.300 -0.030 0.000 1.357 258 I CB -0.557 37.430 38.000 -0.022 0.000 1.051 258 I HN 0.307 nan 8.210 nan 0.000 0.409 259 T N 0.300 114.800 114.554 -0.089 0.000 2.665 259 T HA -0.027 4.323 4.350 -0.001 0.000 0.268 259 T C 0.937 175.585 174.700 -0.086 0.000 1.035 259 T CA 1.330 63.381 62.100 -0.081 0.000 1.151 259 T CB -0.644 68.167 68.868 -0.095 0.000 0.862 259 T HN 0.695 nan 8.240 nan 0.000 0.438 260 G N -0.762 107.931 108.800 -0.178 0.000 2.707 260 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.686 260 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.686 260 G C 0.160 174.944 174.900 -0.195 0.000 1.315 260 G CA -0.231 44.724 45.100 -0.241 0.000 0.832 260 G HN 0.385 nan 8.290 nan 0.000 0.573 261 W N 0.459 121.824 121.300 0.108 0.000 2.436 261 W HA 0.192 4.852 4.660 -0.001 0.000 0.284 261 W C 2.567 179.140 176.519 0.090 0.000 1.225 261 W CA 1.159 58.569 57.345 0.108 0.000 1.271 261 W CB -0.191 29.315 29.460 0.076 0.000 1.114 261 W HN 0.929 nan 8.180 nan 0.000 0.559 262 G N 0.413 109.372 108.800 0.265 0.000 2.422 262 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.218 262 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.218 262 G C 1.567 176.548 174.900 0.136 0.000 1.146 262 G CA 1.268 46.471 45.100 0.172 0.000 0.769 262 G HN 0.306 nan 8.290 nan 0.000 0.547 263 A N -0.680 122.214 122.820 0.124 0.000 2.252 263 A HA 0.476 4.795 4.320 -0.001 0.000 0.213 263 A C 2.016 179.699 177.584 0.166 0.000 1.188 263 A CA 0.199 52.317 52.037 0.135 0.000 0.863 263 A CB -0.027 19.035 19.000 0.103 0.000 0.893 263 A HN 0.257 nan 8.150 nan 0.000 0.495 264 L N 0.401 121.710 121.223 0.144 0.000 2.046 264 L HA -0.076 4.263 4.340 -0.001 0.000 0.208 264 L C 2.349 179.306 176.870 0.145 0.000 1.077 264 L CA 2.080 56.992 54.840 0.121 0.000 0.747 264 L CB -0.628 41.509 42.059 0.130 0.000 0.896 264 L HN 0.496 nan 8.230 nan 0.000 0.432 265 R N -2.150 118.465 120.500 0.191 0.000 2.092 265 R HA -0.229 4.111 4.340 -0.001 0.000 0.231 265 R C 2.395 178.779 176.300 0.140 0.000 1.119 265 R CA 1.498 57.700 56.100 0.170 0.000 0.970 265 R CB -0.466 29.939 30.300 0.175 0.000 0.864 265 R HN 0.440 nan 8.270 nan 0.000 0.440 266 Y N 1.088 121.414 120.300 0.043 0.000 2.181 266 Y HA -0.204 4.346 4.550 -0.001 0.000 0.288 266 Y C 1.924 177.829 175.900 0.008 0.000 1.146 266 Y CA 1.413 59.523 58.100 0.016 0.000 1.164 266 Y CB -0.136 38.332 38.460 0.013 0.000 0.982 266 Y HN -0.004 nan 8.280 nan 0.000 0.515 267 I N 0.812 121.346 120.570 -0.060 0.000 2.286 267 I HA -0.270 3.899 4.170 -0.001 0.000 0.248 267 I C 2.625 178.661 176.117 -0.134 0.000 1.115 267 I CA 1.495 62.706 61.300 -0.148 0.000 1.392 267 I CB -1.210 36.774 38.000 -0.026 0.000 1.065 267 I HN 0.315 nan 8.210 nan 0.000 0.418 268 R N 1.347 121.813 120.500 -0.056 0.000 2.066 268 R HA -0.176 4.163 4.340 -0.001 0.000 0.232 268 R C 1.633 177.900 176.300 -0.055 0.000 1.131 268 R CA 1.775 57.858 56.100 -0.027 0.000 0.955 268 R CB -0.389 29.931 30.300 0.033 0.000 0.851 268 R HN 0.272 nan 8.270 nan 0.000 0.432 269 D N 1.000 121.351 120.400 -0.082 0.000 2.117 269 D HA -0.160 4.480 4.640 -0.001 0.000 0.197 269 D C 1.891 178.073 176.300 -0.197 0.000 0.987 269 D CA 0.780 54.717 54.000 -0.106 0.000 0.829 269 D CB -0.283 40.472 40.800 -0.074 0.000 0.961 269 D HN 0.136 nan 8.370 nan 0.000 0.460 270 L N 0.973 121.994 121.223 -0.336 0.000 2.017 270 L HA -0.085 4.255 4.340 -0.001 0.000 0.208 270 L C 2.145 178.864 176.870 -0.253 0.000 1.073 270 L CA 1.721 56.312 54.840 -0.415 0.000 0.745 270 L CB -0.925 40.805 42.059 -0.548 0.000 0.894 270 L HN -0.011 nan 8.230 nan 0.000 0.432 271 A N -0.771 121.992 122.820 -0.095 0.000 1.940 271 A HA -0.137 4.182 4.320 -0.001 0.000 0.219 271 A C 2.439 180.063 177.584 0.067 0.000 1.176 271 A CA 1.870 53.934 52.037 0.046 0.000 0.631 271 A CB -1.091 17.920 19.000 0.020 0.000 0.814 271 A HN 0.555 nan 8.150 nan 0.000 0.446 272 A N 0.115 122.940 122.820 0.008 0.000 1.877 272 A HA -0.179 4.140 4.320 -0.001 0.000 0.216 272 A C 1.757 179.337 177.584 -0.005 0.000 1.186 272 A CA 1.858 53.910 52.037 0.025 0.000 0.620 272 A CB -0.612 18.378 19.000 -0.018 0.000 0.822 272 A HN 0.450 nan 8.150 nan 0.000 0.443 273 D N -1.253 119.089 120.400 -0.098 0.000 2.149 273 D HA -0.141 4.499 4.640 -0.001 0.000 0.198 273 D C 1.270 177.537 176.300 -0.056 0.000 0.990 273 D CA 1.238 55.155 54.000 -0.138 0.000 0.839 273 D CB -0.356 40.270 40.800 -0.290 0.000 0.948 273 D HN 0.565 nan 8.370 nan 0.000 0.460 274 Y N -0.031 120.272 120.300 0.005 0.000 2.546 274 Y HA 0.246 4.796 4.550 -0.001 0.000 0.287 274 Y C 1.818 177.750 175.900 0.054 0.000 1.158 274 Y CA 0.279 58.392 58.100 0.021 0.000 1.307 274 Y CB -0.099 38.366 38.460 0.007 0.000 1.036 274 Y HN 0.027 nan 8.280 nan 0.000 0.532 275 G N 0.651 109.586 108.800 0.226 0.000 2.176 275 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.252 275 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.252 275 G C -0.275 174.804 174.900 0.298 0.000 1.024 275 G CA 0.037 45.303 45.100 0.277 0.000 0.755 275 G HN 0.270 nan 8.290 nan 0.000 0.507 276 L N 0.408 121.755 121.223 0.207 0.000 2.282 276 L HA 0.743 5.082 4.340 -0.001 0.000 0.288 276 L C 0.943 177.733 176.870 -0.133 0.000 1.033 276 L CA -0.530 54.299 54.840 -0.018 0.000 0.807 276 L CB 1.724 43.788 42.059 0.009 0.000 1.209 276 L HN 0.315 nan 8.230 nan 0.000 0.423 277 A N 4.875 127.289 122.820 -0.677 0.000 2.407 277 A HA 0.609 4.928 4.320 -0.001 0.000 0.248 277 A C -0.252 177.120 177.584 -0.353 0.000 1.082 277 A CA -0.185 51.441 52.037 -0.685 0.000 0.785 277 A CB 0.107 18.362 19.000 -1.241 0.000 1.020 277 A HN 0.665 nan 8.150 nan 0.000 0.489 278 I N 2.496 122.970 120.570 -0.161 0.000 2.339 278 I HA 0.200 4.369 4.170 -0.001 0.000 0.290 278 I C 0.163 176.200 176.117 -0.132 0.000 0.994 278 I CA -0.253 60.980 61.300 -0.112 0.000 1.191 278 I CB 1.183 39.134 38.000 -0.081 0.000 1.343 278 I HN 0.712 nan 8.210 nan 0.000 0.458 279 H N 5.688 124.590 119.070 -0.280 0.000 2.652 279 H HA 0.374 4.930 4.556 -0.001 0.000 0.298 279 H C -0.263 174.918 175.328 -0.245 0.000 1.076 279 H CA -0.359 55.449 56.048 -0.399 0.000 1.360 279 H CB 1.510 30.778 29.762 -0.822 0.000 1.421 279 H HN 0.795 nan 8.280 nan 0.000 0.464 280 G N 4.793 113.231 108.800 -0.603 0.000 2.329 280 G HA2 0.099 4.059 3.960 -0.001 0.000 0.309 280 G HA3 0.099 4.059 3.960 -0.001 0.000 0.309 280 G C -0.744 173.895 174.900 -0.435 0.000 1.110 280 G CA -0.393 44.441 45.100 -0.443 0.000 0.923 280 G HN 0.742 nan 8.290 nan 0.000 0.430 281 H N 2.571 121.411 119.070 -0.383 0.000 2.467 281 H HA 0.265 4.821 4.556 -0.001 0.000 0.326 281 H C 0.768 175.891 175.328 -0.341 0.000 1.094 281 H CA -0.617 55.180 56.048 -0.418 0.000 1.253 281 H CB 1.437 31.022 29.762 -0.294 0.000 1.439 281 H HN 0.651 nan 8.280 nan 0.000 0.479 282 R N 3.168 123.316 120.500 -0.587 0.000 2.515 282 R HA 0.416 4.755 4.340 -0.001 0.000 0.294 282 R C 0.109 176.379 176.300 -0.049 0.000 1.021 282 R CA -0.426 55.503 56.100 -0.285 0.000 1.081 282 R CB 0.120 30.209 30.300 -0.351 0.000 1.263 282 R HN 0.359 nan 8.270 nan 0.000 0.557 283 A N 1.735 124.605 122.820 0.083 0.000 2.598 283 A HA 0.054 4.374 4.320 -0.001 0.000 0.239 283 A C 0.952 178.578 177.584 0.070 0.000 1.032 283 A CA 1.027 53.172 52.037 0.180 0.000 0.760 283 A CB -0.166 18.999 19.000 0.274 0.000 0.946 283 A HN 0.849 nan 8.150 nan 0.000 0.512 284 M N 0.632 120.229 119.600 -0.006 0.000 3.007 284 M HA -0.291 4.188 4.480 -0.001 0.000 0.210 284 M C 0.928 177.089 176.300 -0.231 0.000 0.585 284 M CA 1.943 57.199 55.300 -0.073 0.000 0.804 284 M CB -2.096 30.513 32.600 0.015 0.000 2.870 284 M HN 1.284 nan 8.290 nan 0.000 0.297 285 H N -0.489 118.398 119.070 -0.306 0.000 2.387 285 H HA 0.287 4.842 4.556 -0.001 0.000 0.299 285 H C 1.740 176.588 175.328 -0.800 0.000 1.090 285 H CA 2.016 57.656 56.048 -0.680 0.000 1.332 285 H CB -0.598 28.940 29.762 -0.374 0.000 1.386 285 H HN 0.498 nan 8.280 nan 0.000 0.516 286 A N 1.282 123.313 122.820 -1.315 0.000 2.125 286 A HA 0.056 4.375 4.320 -0.001 0.000 0.219 286 A C 2.594 179.922 177.584 -0.427 0.000 1.156 286 A CA 1.111 52.643 52.037 -0.841 0.000 0.671 286 A CB -1.151 17.441 19.000 -0.679 0.000 0.794 286 A HN 0.724 nan 8.150 nan 0.000 0.459 287 A N -0.484 122.110 122.820 -0.376 0.000 2.024 287 A HA 0.050 4.370 4.320 -0.001 0.000 0.220 287 A C 1.599 179.184 177.584 0.002 0.000 1.164 287 A CA 1.677 53.642 52.037 -0.120 0.000 0.643 287 A CB -0.600 18.404 19.000 0.006 0.000 0.806 287 A HN 1.203 nan 8.150 nan 0.000 0.451 288 F N -3.185 116.750 119.950 -0.026 0.000 2.871 288 F HA 0.223 4.749 4.527 -0.001 0.000 0.344 288 F C 1.476 177.283 175.800 0.013 0.000 1.078 288 F CA 0.609 58.598 58.000 -0.018 0.000 1.149 288 F CB -0.504 38.458 39.000 -0.064 0.000 1.087 288 F HN 0.029 nan 8.300 nan 0.000 0.557 289 T N -2.656 111.813 114.554 -0.142 0.000 3.060 289 T HA 0.187 4.537 4.350 -0.001 0.000 0.249 289 T C 1.757 176.487 174.700 0.049 0.000 1.079 289 T CA 0.412 62.542 62.100 0.050 0.000 1.013 289 T CB -0.113 68.824 68.868 0.115 0.000 0.975 289 T HN 0.382 nan 8.240 nan 0.000 0.518 290 R N 1.230 121.730 120.500 -0.000 0.000 2.080 290 R HA 0.153 4.493 4.340 -0.001 0.000 0.222 290 R C 0.564 176.899 176.300 0.057 0.000 1.107 290 R CA 0.264 56.372 56.100 0.014 0.000 0.980 290 R CB -0.107 30.176 30.300 -0.028 0.000 0.879 290 R HN 0.248 nan 8.270 nan 0.000 0.439 291 N N 1.604 120.361 118.700 0.095 0.000 2.406 291 N HA 0.020 4.760 4.740 -0.001 0.000 0.265 291 N C -2.076 173.514 175.510 0.134 0.000 1.203 291 N CA -1.745 51.393 53.050 0.148 0.000 0.945 291 N CB 1.555 40.168 38.487 0.211 0.000 1.165 291 N HN 0.026 nan 8.380 nan 0.000 0.485 292 P HA -0.036 nan 4.420 nan 0.000 0.234 292 P C -0.097 177.085 177.300 -0.196 0.000 1.167 292 P CA 1.120 64.146 63.100 -0.124 0.000 0.763 292 P CB 0.013 31.555 31.700 -0.264 0.000 0.835 293 Y N -2.781 117.624 120.300 0.176 0.000 2.481 293 Y HA 0.280 4.829 4.550 -0.001 0.000 0.247 293 Y C 0.903 176.993 175.900 0.316 0.000 1.151 293 Y CA -0.056 58.175 58.100 0.218 0.000 1.238 293 Y CB 0.391 38.959 38.460 0.181 0.000 1.179 293 Y HN 0.014 nan 8.280 nan 0.000 0.524 294 H N -0.890 118.349 119.070 0.281 0.000 3.129 294 H HA 0.489 5.044 4.556 -0.001 0.000 0.342 294 H C -0.057 175.398 175.328 0.212 0.000 1.092 294 H CA 0.280 56.490 56.048 0.270 0.000 1.310 294 H CB 1.642 31.544 29.762 0.234 0.000 1.932 294 H HN 0.328 nan 8.280 nan 0.000 0.507 295 G N 3.128 111.833 108.800 -0.158 0.000 2.295 295 G HA2 -0.029 3.930 3.960 -0.001 0.000 0.195 295 G HA3 -0.029 3.930 3.960 -0.001 0.000 0.195 295 G C -1.586 173.329 174.900 0.024 0.000 1.269 295 G CA -0.307 44.705 45.100 -0.148 0.000 1.170 295 G HN 0.542 nan 8.290 nan 0.000 0.511 296 I N 0.948 121.613 120.570 0.158 0.000 2.499 296 I HA 0.504 4.673 4.170 -0.001 0.000 0.288 296 I C 0.599 176.873 176.117 0.261 0.000 1.048 296 I CA -0.680 60.754 61.300 0.223 0.000 1.062 296 I CB 2.062 40.167 38.000 0.175 0.000 1.238 296 I HN 0.601 nan 8.210 nan 0.000 0.426 297 S N 4.244 120.060 115.700 0.193 0.000 2.560 297 S HA 0.053 4.523 4.470 -0.001 0.000 0.284 297 S C 1.072 175.778 174.600 0.177 0.000 1.327 297 S CA -0.384 57.919 58.200 0.172 0.000 1.055 297 S CB 0.615 63.916 63.200 0.169 0.000 0.868 297 S HN 0.631 nan 8.310 nan 0.000 0.506 298 M N 5.374 125.055 119.600 0.135 0.000 2.267 298 M HA -0.015 4.465 4.480 -0.001 0.000 0.263 298 M C 1.211 177.534 176.300 0.038 0.000 1.063 298 M CA 1.587 56.928 55.300 0.068 0.000 1.090 298 M CB -0.872 31.723 32.600 -0.008 0.000 1.392 298 M HN 0.837 nan 8.290 nan 0.000 0.422 299 F N -0.635 119.264 119.950 -0.084 0.000 2.095 299 F HA -0.202 4.324 4.527 -0.001 0.000 0.298 299 F C 1.872 177.579 175.800 -0.156 0.000 1.104 299 F CA 1.845 59.742 58.000 -0.171 0.000 1.232 299 F CB -0.462 38.413 39.000 -0.207 0.000 0.987 299 F HN -0.024 nan 8.300 nan 0.000 0.475 300 V N 0.105 120.065 119.914 0.077 0.000 2.295 300 V HA -0.315 3.804 4.120 -0.001 0.000 0.246 300 V C 2.375 178.362 176.094 -0.178 0.000 1.049 300 V CA 1.609 63.868 62.300 -0.068 0.000 1.024 300 V CB -0.791 31.030 31.823 -0.002 0.000 0.648 300 V HN 0.265 nan 8.190 nan 0.000 0.447 301 L N 0.462 121.638 121.223 -0.079 0.000 2.012 301 L HA -0.173 4.166 4.340 -0.001 0.000 0.210 301 L C 2.664 179.412 176.870 -0.203 0.000 1.073 301 L CA 2.397 57.150 54.840 -0.145 0.000 0.748 301 L CB -1.608 40.504 42.059 0.089 0.000 0.891 301 L HN 0.315 nan 8.230 nan 0.000 0.431 302 A N -0.782 121.939 122.820 -0.165 0.000 1.892 302 A HA -0.311 4.008 4.320 -0.001 0.000 0.218 302 A C 2.470 179.891 177.584 -0.272 0.000 1.188 302 A CA 2.272 54.192 52.037 -0.195 0.000 0.631 302 A CB -0.596 18.217 19.000 -0.312 0.000 0.822 302 A HN 0.427 nan 8.150 nan 0.000 0.447 303 K N -0.389 119.768 120.400 -0.404 0.000 2.002 303 K HA -0.098 4.221 4.320 -0.001 0.000 0.209 303 K C 1.966 178.398 176.600 -0.280 0.000 1.048 303 K CA 1.572 57.655 56.287 -0.340 0.000 0.930 303 K CB -0.343 31.904 32.500 -0.422 0.000 0.714 303 K HN 0.491 nan 8.250 nan 0.000 0.438 304 L N -0.015 121.008 121.223 -0.334 0.000 2.046 304 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 304 L C 2.430 179.210 176.870 -0.150 0.000 1.077 304 L CA 1.195 55.846 54.840 -0.316 0.000 0.747 304 L CB -0.589 41.270 42.059 -0.333 0.000 0.896 304 L HN 0.217 nan 8.230 nan 0.000 0.432 305 Y N -0.237 120.070 120.300 0.012 0.000 2.293 305 Y HA -0.175 4.375 4.550 -0.001 0.000 0.291 305 Y C 2.767 178.624 175.900 -0.071 0.000 1.137 305 Y CA 0.863 58.959 58.100 -0.006 0.000 1.202 305 Y CB -0.640 37.786 38.460 -0.056 0.000 0.990 305 Y HN 0.098 nan 8.280 nan 0.000 0.537 306 R N 0.426 120.928 120.500 0.003 0.000 2.073 306 R HA -0.158 4.181 4.340 -0.001 0.000 0.234 306 R C 2.059 178.322 176.300 -0.062 0.000 1.134 306 R CA 1.535 57.589 56.100 -0.077 0.000 0.952 306 R CB -0.545 29.636 30.300 -0.199 0.000 0.850 306 R HN 0.329 nan 8.270 nan 0.000 0.433 307 L N 0.491 121.629 121.223 -0.141 0.000 2.012 307 L HA -0.223 4.117 4.340 -0.001 0.000 0.210 307 L C 2.532 179.362 176.870 -0.067 0.000 1.073 307 L CA 1.415 56.088 54.840 -0.278 0.000 0.748 307 L CB -0.412 41.079 42.059 -0.947 0.000 0.891 307 L HN 0.294 nan 8.230 nan 0.000 0.431 308 I N -0.553 120.033 120.570 0.027 0.000 2.226 308 I HA -0.178 3.991 4.170 -0.001 0.000 0.245 308 I C 1.343 177.566 176.117 0.176 0.000 1.100 308 I CA 1.351 62.806 61.300 0.258 0.000 1.374 308 I CB -0.365 37.819 38.000 0.306 0.000 1.057 308 I HN 0.523 nan 8.210 nan 0.000 0.413 309 G N 0.985 109.849 108.800 0.106 0.000 2.245 309 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.116 309 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.116 309 G C -0.058 174.865 174.900 0.037 0.000 1.054 309 G CA -0.796 44.344 45.100 0.065 0.000 0.728 309 G HN 0.040 nan 8.290 nan 0.000 0.483 310 I N 1.287 121.869 120.570 0.021 0.000 2.556 310 I HA 0.188 4.358 4.170 -0.001 0.000 0.284 310 I C 0.874 176.964 176.117 -0.044 0.000 1.114 310 I CA -0.177 61.098 61.300 -0.042 0.000 1.418 310 I CB 0.714 38.655 38.000 -0.099 0.000 1.394 310 I HN 0.125 nan 8.210 nan 0.000 0.552 311 D N 4.468 124.842 120.400 -0.044 0.000 2.249 311 D HA -0.010 4.630 4.640 -0.001 0.000 0.205 311 D C 0.236 176.542 176.300 0.009 0.000 0.962 311 D CA 0.993 54.994 54.000 0.001 0.000 0.860 311 D CB 0.640 41.462 40.800 0.036 0.000 0.955 311 D HN 0.608 nan 8.370 nan 0.000 0.505 312 Q N 0.291 120.040 119.800 -0.085 0.000 2.289 312 Q HA 0.575 4.915 4.340 -0.001 0.000 0.270 312 Q C -1.488 174.327 176.000 -0.308 0.000 1.038 312 Q CA -0.567 55.170 55.803 -0.111 0.000 0.812 312 Q CB 3.137 31.811 28.738 -0.107 0.000 1.300 312 Q HN -0.063 nan 8.270 nan 0.000 0.427 313 L N 1.177 122.269 121.223 -0.219 0.000 2.455 313 L HA 0.413 4.752 4.340 -0.001 0.000 0.264 313 L C -1.253 175.534 176.870 -0.139 0.000 0.968 313 L CA -0.264 54.441 54.840 -0.225 0.000 0.827 313 L CB 1.843 43.803 42.059 -0.165 0.000 1.317 313 L HN 0.684 nan 8.230 nan 0.000 0.407 314 H N 4.042 122.929 119.070 -0.305 0.000 2.803 314 H HA 0.270 4.826 4.556 -0.001 0.000 0.330 314 H C 0.516 175.705 175.328 -0.231 0.000 1.057 314 H CA 0.547 56.456 56.048 -0.232 0.000 1.458 314 H CB 1.555 31.148 29.762 -0.282 0.000 1.470 314 H HN 0.638 nan 8.280 nan 0.000 0.560 315 V N 0.301 120.153 119.914 -0.103 0.000 3.485 315 V HA 0.478 4.598 4.120 -0.001 0.000 0.280 315 V C 0.841 176.878 176.094 -0.095 0.000 1.495 315 V CA 0.437 62.664 62.300 -0.121 0.000 1.018 315 V CB 0.622 32.378 31.823 -0.113 0.000 0.818 315 V HN 1.018 nan 8.190 nan 0.000 0.436 316 G N 1.052 109.810 108.800 -0.070 0.000 2.371 316 G HA2 0.149 4.108 3.960 -0.001 0.000 0.663 316 G HA3 0.149 4.108 3.960 -0.001 0.000 0.663 316 G C 0.187 175.067 174.900 -0.035 0.000 1.311 316 G CA 0.431 45.510 45.100 -0.035 0.000 0.985 316 G HN 1.067 nan 8.290 nan 0.000 0.566 317 T N -2.630 111.913 114.554 -0.019 0.000 3.023 317 T HA 0.598 4.948 4.350 -0.001 0.000 0.253 317 T C 1.580 176.269 174.700 -0.019 0.000 1.038 317 T CA 1.745 63.830 62.100 -0.026 0.000 0.962 317 T CB 0.434 69.285 68.868 -0.027 0.000 1.018 317 T HN 2.714 nan 8.240 nan 0.000 0.521 318 A N 0.103 122.920 122.820 -0.006 0.000 3.095 318 A HA 0.238 4.557 4.320 -0.001 0.000 0.248 318 A C 1.765 179.360 177.584 0.017 0.000 1.369 318 A CA 1.178 53.219 52.037 0.007 0.000 0.843 318 A CB -2.116 16.885 19.000 0.002 0.000 1.064 318 A HN 2.082 nan 8.150 nan 0.000 0.636 319 G N -2.441 106.369 108.800 0.016 0.000 2.279 319 G HA2 0.134 4.093 3.960 -0.001 0.000 0.223 319 G HA3 0.134 4.093 3.960 -0.001 0.000 0.223 319 G C 1.604 176.509 174.900 0.008 0.000 1.015 319 G CA 1.193 46.305 45.100 0.020 0.000 0.621 319 G HN 2.209 nan 8.290 nan 0.000 0.506 320 A N 0.725 123.540 122.820 -0.009 0.000 2.015 320 A HA 0.526 4.846 4.320 -0.001 0.000 0.219 320 A C 1.832 179.393 177.584 -0.039 0.000 1.163 320 A CA 2.395 54.414 52.037 -0.029 0.000 0.646 320 A CB -0.507 18.459 19.000 -0.056 0.000 0.806 320 A HN 1.859 nan 8.150 nan 0.000 0.448 321 G N -1.230 107.553 108.800 -0.027 0.000 2.753 321 G HA2 0.417 4.376 3.960 -0.001 0.000 0.285 321 G HA3 0.417 4.376 3.960 -0.001 0.000 0.285 321 G C 0.630 175.531 174.900 0.001 0.000 1.344 321 G CA 0.099 45.184 45.100 -0.026 0.000 1.050 321 G HN 0.304 nan 8.290 nan 0.000 0.532 322 K N -1.150 119.255 120.400 0.008 0.000 2.486 322 K HA 0.151 4.471 4.320 -0.001 0.000 0.194 322 K C 0.071 176.687 176.600 0.027 0.000 1.033 322 K CA 0.319 56.619 56.287 0.021 0.000 1.004 322 K CB -0.192 32.322 32.500 0.024 0.000 0.798 322 K HN 0.221 nan 8.250 nan 0.000 0.495 323 L N 1.944 123.185 121.223 0.029 0.000 2.334 323 L HA 0.277 4.617 4.340 -0.001 0.000 0.276 323 L C 0.308 177.199 176.870 0.036 0.000 1.014 323 L CA -1.010 53.851 54.840 0.036 0.000 0.815 323 L CB 1.742 43.832 42.059 0.052 0.000 1.268 323 L HN 0.091 nan 8.230 nan 0.000 0.428 324 E N 1.555 121.775 120.200 0.034 0.000 2.422 324 E HA 0.398 4.748 4.350 -0.001 0.000 0.260 324 E C -0.297 176.331 176.600 0.048 0.000 1.108 324 E CA 0.409 56.831 56.400 0.036 0.000 0.943 324 E CB 1.242 30.959 29.700 0.028 0.000 0.961 324 E HN 0.756 nan 8.360 nan 0.000 0.443 325 G N 1.503 110.330 108.800 0.044 0.000 2.196 325 G HA2 0.287 4.247 3.960 -0.001 0.000 0.215 325 G HA3 0.287 4.247 3.960 -0.001 0.000 0.215 325 G C -0.240 174.688 174.900 0.047 0.000 1.640 325 G CA -0.383 44.745 45.100 0.045 0.000 0.946 325 G HN 0.599 nan 8.290 nan 0.000 0.710 326 G N 0.747 109.583 108.800 0.060 0.000 2.483 326 G HA2 0.446 4.405 3.960 -0.001 0.000 0.248 326 G HA3 0.446 4.405 3.960 -0.001 0.000 0.248 326 G C 1.029 175.987 174.900 0.097 0.000 1.248 326 G CA 0.270 45.421 45.100 0.085 0.000 0.838 326 G HN 0.896 nan 8.290 nan 0.000 0.566 327 K N 0.931 121.396 120.400 0.107 0.000 2.020 327 K HA -0.193 4.127 4.320 -0.001 0.000 0.212 327 K C 1.949 178.635 176.600 0.143 0.000 1.050 327 K CA 1.782 58.132 56.287 0.104 0.000 0.929 327 K CB -0.227 32.334 32.500 0.103 0.000 0.714 327 K HN 0.657 nan 8.250 nan 0.000 0.443 328 W N 2.262 123.576 121.300 0.024 0.000 2.381 328 W HA -0.175 4.485 4.660 -0.001 0.000 0.301 328 W C 1.502 178.049 176.519 0.048 0.000 1.205 328 W CA 1.767 59.136 57.345 0.040 0.000 1.285 328 W CB -0.170 29.317 29.460 0.044 0.000 1.133 328 W HN 0.204 nan 8.180 nan 0.000 0.521 329 D N -0.062 120.409 120.400 0.119 0.000 2.104 329 D HA -0.201 4.438 4.640 -0.001 0.000 0.194 329 D C 2.303 178.524 176.300 -0.131 0.000 0.994 329 D CA 2.135 56.093 54.000 -0.069 0.000 0.830 329 D CB -0.782 40.053 40.800 0.059 0.000 0.959 329 D HN 0.116 nan 8.370 nan 0.000 0.452 330 V N 0.952 120.831 119.914 -0.059 0.000 2.626 330 V HA -0.153 3.966 4.120 -0.001 0.000 0.252 330 V C 2.409 178.445 176.094 -0.097 0.000 1.067 330 V CA 0.764 63.025 62.300 -0.064 0.000 1.081 330 V CB -0.253 31.552 31.823 -0.031 0.000 0.686 330 V HN 0.199 nan 8.190 nan 0.000 0.468 331 I N -0.282 120.212 120.570 -0.128 0.000 2.252 331 I HA -0.219 3.951 4.170 -0.001 0.000 0.245 331 I C 2.658 178.670 176.117 -0.175 0.000 1.102 331 I CA 1.116 62.334 61.300 -0.137 0.000 1.385 331 I CB -0.290 37.629 38.000 -0.135 0.000 1.064 331 I HN 0.309 nan 8.210 nan 0.000 0.414 332 Q N 0.528 120.145 119.800 -0.305 0.000 2.119 332 Q HA -0.147 4.193 4.340 -0.001 0.000 0.201 332 Q C 1.912 177.876 176.000 -0.060 0.000 0.972 332 Q CA 1.247 56.923 55.803 -0.211 0.000 0.847 332 Q CB -0.741 27.677 28.738 -0.532 0.000 0.903 332 Q HN 0.527 nan 8.270 nan 0.000 0.433 333 N N 1.121 119.765 118.700 -0.093 0.000 2.069 333 N HA -0.126 4.613 4.740 -0.001 0.000 0.191 333 N C 1.680 177.074 175.510 -0.194 0.000 1.031 333 N CA 1.632 54.587 53.050 -0.158 0.000 0.852 333 N CB -0.430 37.984 38.487 -0.122 0.000 1.018 333 N HN 0.292 nan 8.380 nan 0.000 0.423 334 A N 1.464 124.205 122.820 -0.132 0.000 1.933 334 A HA -0.097 4.223 4.320 -0.001 0.000 0.218 334 A C 2.263 179.779 177.584 -0.113 0.000 1.175 334 A CA 1.110 53.081 52.037 -0.110 0.000 0.628 334 A CB -0.336 18.623 19.000 -0.068 0.000 0.814 334 A HN 0.236 nan 8.150 nan 0.000 0.444 335 R N -1.273 119.183 120.500 -0.074 0.000 2.066 335 R HA -0.045 4.294 4.340 -0.001 0.000 0.232 335 R C 1.948 178.193 176.300 -0.092 0.000 1.131 335 R CA 1.365 57.472 56.100 0.011 0.000 0.955 335 R CB -0.496 29.934 30.300 0.216 0.000 0.851 335 R HN 0.475 nan 8.270 nan 0.000 0.432 336 I N 1.162 121.543 120.570 -0.314 0.000 2.454 336 I HA -0.194 3.975 4.170 -0.001 0.000 0.254 336 I C 1.863 177.654 176.117 -0.544 0.000 1.156 336 I CA 1.268 62.231 61.300 -0.562 0.000 1.433 336 I CB -0.036 37.284 38.000 -1.135 0.000 1.082 336 I HN 0.126 nan 8.210 nan 0.000 0.432 337 L N -0.795 120.179 121.223 -0.415 0.000 2.179 337 L HA -0.087 4.253 4.340 -0.001 0.000 0.208 337 L C 2.432 179.075 176.870 -0.378 0.000 1.096 337 L CA 0.951 55.565 54.840 -0.378 0.000 0.779 337 L CB -0.344 41.568 42.059 -0.245 0.000 0.922 337 L HN 0.140 nan 8.230 nan 0.000 0.443 338 R N -0.694 119.627 120.500 -0.298 0.000 2.195 338 R HA 0.118 4.458 4.340 -0.001 0.000 0.197 338 R C 0.208 176.375 176.300 -0.222 0.000 0.990 338 R CA 0.018 55.974 56.100 -0.239 0.000 1.048 338 R CB 0.374 30.581 30.300 -0.154 0.000 0.997 338 R HN 0.304 nan 8.270 nan 0.000 0.502 339 E N 0.787 120.877 120.200 -0.183 0.000 2.283 339 E HA 0.027 4.376 4.350 -0.001 0.000 0.278 339 E C 0.535 177.114 176.600 -0.036 0.000 1.027 339 E CA -0.125 56.248 56.400 -0.045 0.000 0.843 339 E CB 1.562 31.332 29.700 0.116 0.000 1.062 339 E HN 0.089 nan 8.360 nan 0.000 0.401 340 S N 2.030 117.759 115.700 0.048 0.000 2.436 340 S HA -0.131 4.339 4.470 -0.001 0.000 0.228 340 S C 0.647 175.390 174.600 0.238 0.000 1.014 340 S CA 0.597 58.867 58.200 0.117 0.000 0.950 340 S CB -0.036 63.197 63.200 0.055 0.000 0.784 340 S HN 0.662 nan 8.310 nan 0.000 0.504 341 H N -0.170 118.977 119.070 0.127 0.000 2.854 341 H HA 0.361 4.916 4.556 -0.001 0.000 0.275 341 H C -1.629 173.800 175.328 0.168 0.000 1.198 341 H CA -1.150 54.967 56.048 0.116 0.000 1.489 341 H CB 0.388 30.160 29.762 0.017 0.000 1.519 341 H HN 0.365 nan 8.280 nan 0.000 0.503 342 Y N 4.527 125.047 120.300 0.368 0.000 2.480 342 Y HA 0.220 4.769 4.550 -0.001 0.000 0.341 342 Y C -0.800 175.266 175.900 0.276 0.000 1.031 342 Y CA -0.393 57.877 58.100 0.284 0.000 1.295 342 Y CB 0.358 39.003 38.460 0.309 0.000 1.162 342 Y HN 0.447 nan 8.280 nan 0.000 0.523 343 K N 9.261 129.434 120.400 -0.378 0.000 2.389 343 K HA 0.364 4.684 4.320 -0.001 0.000 0.261 343 K C -2.534 173.730 176.600 -0.560 0.000 1.014 343 K CA -2.141 53.940 56.287 -0.343 0.000 0.920 343 K CB 0.919 33.307 32.500 -0.187 0.000 1.149 343 K HN 0.454 nan 8.250 nan 0.000 0.444 344 P HA -0.036 nan 4.420 nan 0.000 0.268 344 P C -0.603 176.666 177.300 -0.052 0.000 1.208 344 P CA -0.137 62.852 63.100 -0.185 0.000 0.777 344 P CB 0.559 32.328 31.700 0.115 0.000 0.875 345 D N 0.645 121.090 120.400 0.075 0.000 2.390 345 D HA 0.044 4.684 4.640 -0.001 0.000 0.236 345 D C 1.803 178.136 176.300 0.055 0.000 1.189 345 D CA 0.325 54.379 54.000 0.090 0.000 0.887 345 D CB 0.184 41.104 40.800 0.200 0.000 1.198 345 D HN 0.528 nan 8.370 nan 0.000 0.444 346 E N 1.553 121.765 120.200 0.020 0.000 2.160 346 E HA -0.231 4.118 4.350 -0.001 0.000 0.195 346 E C 1.182 177.765 176.600 -0.028 0.000 0.991 346 E CA 1.564 57.959 56.400 -0.008 0.000 0.810 346 E CB -0.790 28.902 29.700 -0.014 0.000 0.742 346 E HN 0.590 nan 8.360 nan 0.000 0.466 347 N N 0.272 118.955 118.700 -0.028 0.000 2.280 347 N HA -0.017 4.722 4.740 -0.001 0.000 0.192 347 N C -0.103 175.340 175.510 -0.112 0.000 1.109 347 N CA 0.461 53.462 53.050 -0.083 0.000 0.855 347 N CB 0.058 38.489 38.487 -0.093 0.000 0.974 347 N HN 0.260 nan 8.380 nan 0.000 0.482 348 D N 1.554 121.954 120.400 -0.001 0.000 2.349 348 D HA -0.020 4.619 4.640 -0.001 0.000 0.266 348 D C 1.257 177.494 176.300 -0.106 0.000 1.293 348 D CA -0.125 53.928 54.000 0.089 0.000 0.926 348 D CB 1.091 42.117 40.800 0.377 0.000 1.090 348 D HN 0.092 nan 8.370 nan 0.000 0.502 349 V N 1.914 121.597 119.914 -0.386 0.000 3.649 349 V HA 0.156 4.276 4.120 -0.001 0.000 0.275 349 V C 1.100 176.836 176.094 -0.597 0.000 1.281 349 V CA 0.316 62.256 62.300 -0.600 0.000 1.143 349 V CB -0.903 30.393 31.823 -0.879 0.000 0.892 349 V HN 0.286 nan 8.190 nan 0.000 0.441 350 F N 0.422 120.211 119.950 -0.267 0.000 2.500 350 F HA 0.427 4.954 4.527 -0.001 0.000 0.285 350 F C 1.273 176.803 175.800 -0.449 0.000 1.088 350 F CA -0.116 57.619 58.000 -0.442 0.000 1.432 350 F CB -0.106 38.441 39.000 -0.754 0.000 1.131 350 F HN 0.279 nan 8.300 nan 0.000 0.582 351 H N -0.332 118.805 119.070 0.112 0.000 2.621 351 H HA 0.648 5.203 4.556 -0.001 0.000 0.360 351 H C -0.693 174.726 175.328 0.151 0.000 1.163 351 H CA -0.884 55.177 56.048 0.022 0.000 1.194 351 H CB 1.885 31.533 29.762 -0.190 0.000 1.649 351 H HN -0.166 nan 8.280 nan 0.000 0.532 352 L N 0.802 122.236 121.223 0.351 0.000 2.322 352 L HA 0.290 4.629 4.340 -0.001 0.000 0.269 352 L C 0.371 177.469 176.870 0.381 0.000 1.012 352 L CA -0.885 54.114 54.840 0.264 0.000 0.815 352 L CB 1.680 43.836 42.059 0.161 0.000 1.295 352 L HN 0.646 nan 8.230 nan 0.000 0.438 353 E N 1.759 122.103 120.200 0.240 0.000 2.414 353 E HA 0.028 4.378 4.350 -0.001 0.000 0.263 353 E C -0.930 175.871 176.600 0.335 0.000 1.000 353 E CA -0.073 56.492 56.400 0.275 0.000 0.914 353 E CB 0.755 30.559 29.700 0.173 0.000 0.948 353 E HN 0.406 nan 8.360 nan 0.000 0.444 354 Q N 3.499 123.505 119.800 0.343 0.000 2.263 354 Q HA 0.283 4.623 4.340 -0.001 0.000 0.262 354 Q C -1.830 174.090 176.000 -0.133 0.000 0.984 354 Q CA -0.596 55.289 55.803 0.136 0.000 0.813 354 Q CB 1.318 30.076 28.738 0.034 0.000 1.299 354 Q HN 0.397 nan 8.270 nan 0.000 0.428 355 K N 3.048 123.239 120.400 -0.348 0.000 2.143 355 K HA 0.395 4.715 4.320 -0.001 0.000 0.272 355 K C -0.387 175.880 176.600 -0.554 0.000 1.001 355 K CA -0.217 55.728 56.287 -0.569 0.000 0.915 355 K CB 0.759 32.711 32.500 -0.913 0.000 1.047 355 K HN 0.593 nan 8.250 nan 0.000 0.458 356 F N 1.267 121.053 119.950 -0.273 0.000 2.682 356 F HA 0.127 4.653 4.527 -0.001 0.000 0.308 356 F C 0.089 175.912 175.800 0.038 0.000 1.093 356 F CA -0.264 57.695 58.000 -0.069 0.000 1.244 356 F CB -0.025 38.935 39.000 -0.067 0.000 1.052 356 F HN 0.632 nan 8.300 nan 0.000 0.573 357 Y N -0.495 119.860 120.300 0.091 0.000 2.817 357 Y HA -0.508 4.041 4.550 -0.001 0.000 0.471 357 Y C 2.276 178.215 175.900 0.065 0.000 1.142 357 Y CA 1.349 59.480 58.100 0.052 0.000 2.725 357 Y CB -1.845 36.623 38.460 0.014 0.000 1.169 357 Y HN 0.019 nan 8.280 nan 0.000 0.619 358 S N 0.531 116.381 115.700 0.250 0.000 2.593 358 S HA 0.213 4.682 4.470 -0.001 0.000 0.217 358 S C 0.358 175.022 174.600 0.107 0.000 0.966 358 S CA 0.229 58.509 58.200 0.134 0.000 0.914 358 S CB -0.122 63.135 63.200 0.095 0.000 0.776 358 S HN 0.301 nan 8.310 nan 0.000 0.523 359 I N 3.405 124.067 120.570 0.153 0.000 2.517 359 I HA 0.177 4.346 4.170 -0.001 0.000 0.285 359 I C 0.712 176.841 176.117 0.020 0.000 1.106 359 I CA -0.084 61.283 61.300 0.113 0.000 1.402 359 I CB -0.174 37.951 38.000 0.208 0.000 1.399 359 I HN 0.201 nan 8.210 nan 0.000 0.535 360 K N 4.144 124.532 120.400 -0.021 0.000 2.180 360 K HA 0.432 4.752 4.320 -0.001 0.000 0.251 360 K C 0.241 176.756 176.600 -0.142 0.000 1.014 360 K CA -0.523 55.723 56.287 -0.069 0.000 0.913 360 K CB 0.607 33.074 32.500 -0.056 0.000 1.008 360 K HN 0.736 nan 8.250 nan 0.000 0.490 361 A N 1.024 123.742 122.820 -0.170 0.000 2.425 361 A HA 0.446 4.765 4.320 -0.001 0.000 0.249 361 A C -0.224 177.234 177.584 -0.211 0.000 1.084 361 A CA -0.257 51.641 52.037 -0.233 0.000 0.781 361 A CB 0.316 19.176 19.000 -0.233 0.000 1.019 361 A HN 0.706 nan 8.150 nan 0.000 0.490 362 A N 1.498 124.191 122.820 -0.212 0.000 2.295 362 A HA 0.681 5.000 4.320 -0.001 0.000 0.318 362 A C -0.640 176.874 177.584 -0.117 0.000 1.134 362 A CA -0.468 51.485 52.037 -0.140 0.000 0.827 362 A CB 0.272 19.201 19.000 -0.118 0.000 1.136 362 A HN 0.702 nan 8.150 nan 0.000 0.493 363 F N 2.178 122.072 119.950 -0.095 0.000 2.438 363 F HA 0.362 4.889 4.527 -0.001 0.000 0.360 363 F C -1.979 173.754 175.800 -0.112 0.000 1.118 363 F CA -2.131 55.821 58.000 -0.080 0.000 1.164 363 F CB 0.936 39.909 39.000 -0.045 0.000 1.131 363 F HN 0.244 nan 8.300 nan 0.000 0.527 364 P HA 0.134 nan 4.420 nan 0.000 0.271 364 P C -0.781 176.510 177.300 -0.016 0.000 1.216 364 P CA -0.086 63.024 63.100 0.017 0.000 0.771 364 P CB 0.660 32.356 31.700 -0.007 0.000 0.864 365 T N 2.101 116.573 114.554 -0.137 0.000 2.786 365 T HA 0.365 4.714 4.350 -0.001 0.000 0.283 365 T C -0.183 174.340 174.700 -0.295 0.000 0.992 365 T CA -0.362 61.582 62.100 -0.259 0.000 0.954 365 T CB 0.478 69.067 68.868 -0.465 0.000 0.934 365 T HN 0.090 nan 8.240 nan 0.000 0.440 366 S N 2.577 118.166 115.700 -0.186 0.000 2.429 366 S HA 0.716 5.185 4.470 -0.001 0.000 0.302 366 S C -0.276 174.266 174.600 -0.096 0.000 1.115 366 S CA -0.582 57.544 58.200 -0.122 0.000 1.095 366 S CB 1.064 64.221 63.200 -0.071 0.000 0.987 366 S HN 0.685 nan 8.310 nan 0.000 0.474 367 S N 2.309 117.981 115.700 -0.048 0.000 2.535 367 S HA 0.755 5.225 4.470 -0.001 0.000 0.272 367 S C -0.749 173.890 174.600 0.065 0.000 1.149 367 S CA 0.078 58.299 58.200 0.035 0.000 0.888 367 S CB 1.232 64.510 63.200 0.130 0.000 1.110 367 S HN 1.408 nan 8.310 nan 0.000 0.463 368 G N 1.747 110.576 108.800 0.049 0.000 2.951 368 G HA2 0.457 4.417 3.960 -0.001 0.000 0.508 368 G HA3 0.457 4.417 3.960 -0.001 0.000 0.508 368 G C 0.782 175.679 174.900 -0.005 0.000 1.203 368 G CA 0.298 45.422 45.100 0.040 0.000 1.209 368 G HN 2.080 nan 8.290 nan 0.000 0.552 369 G N 0.028 108.818 108.800 -0.017 0.000 2.225 369 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.267 369 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.267 369 G C 0.583 175.414 174.900 -0.116 0.000 1.024 369 G CA 0.770 45.840 45.100 -0.050 0.000 0.784 369 G HN 1.366 nan 8.290 nan 0.000 0.507 370 L N 0.219 121.358 121.223 -0.139 0.000 2.375 370 L HA 0.730 5.070 4.340 -0.001 0.000 0.271 370 L C 0.790 177.486 176.870 -0.289 0.000 1.107 370 L CA -0.801 53.899 54.840 -0.232 0.000 0.806 370 L CB 1.073 43.039 42.059 -0.154 0.000 1.146 370 L HN 0.619 nan 8.230 nan 0.000 0.447 371 H N 0.173 119.064 119.070 -0.299 0.000 2.990 371 H HA 0.394 4.949 4.556 -0.001 0.000 0.343 371 H C -2.660 172.546 175.328 -0.204 0.000 1.270 371 H CA -1.994 53.812 56.048 -0.404 0.000 1.118 371 H CB 0.549 29.821 29.762 -0.817 0.000 1.861 371 H HN 0.098 nan 8.280 nan 0.000 0.544 372 P HA -0.104 nan 4.420 nan 0.000 0.217 372 P C 1.350 178.698 177.300 0.079 0.000 1.151 372 P CA 2.642 65.775 63.100 0.056 0.000 0.849 372 P CB -0.146 31.632 31.700 0.131 0.000 0.787 373 G N -0.930 108.043 108.800 0.288 0.000 3.088 373 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.212 373 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.212 373 G C 0.725 175.680 174.900 0.092 0.000 1.173 373 G CA 0.140 45.346 45.100 0.177 0.000 0.779 373 G HN 0.356 nan 8.290 nan 0.000 0.540 374 N N 0.024 118.560 118.700 -0.273 0.000 2.307 374 N HA 0.032 4.771 4.740 -0.001 0.000 0.248 374 N C 1.273 176.655 175.510 -0.214 0.000 1.322 374 N CA -0.249 52.641 53.050 -0.267 0.000 0.861 374 N CB -0.598 37.612 38.487 -0.461 0.000 1.303 374 N HN 0.409 nan 8.380 nan 0.000 0.498 375 I N -2.398 118.072 120.570 -0.165 0.000 3.603 375 I HA 0.152 4.321 4.170 -0.001 0.000 0.297 375 I C 1.961 178.031 176.117 -0.078 0.000 1.269 375 I CA 0.206 61.430 61.300 -0.126 0.000 1.361 375 I CB 0.128 38.049 38.000 -0.132 0.000 1.063 375 I HN -0.006 nan 8.210 nan 0.000 0.448 376 Q N 2.973 122.741 119.800 -0.053 0.000 2.083 376 Q HA 0.041 4.381 4.340 -0.001 0.000 0.198 376 Q C -0.613 175.368 176.000 -0.031 0.000 0.969 376 Q CA 1.498 57.279 55.803 -0.036 0.000 0.838 376 Q CB -2.236 26.493 28.738 -0.016 0.000 0.900 376 Q HN 0.334 nan 8.270 nan 0.000 0.436 377 P HA -0.104 nan 4.420 nan 0.000 0.220 377 P C 1.176 178.462 177.300 -0.022 0.000 1.148 377 P CA 1.038 64.125 63.100 -0.021 0.000 0.803 377 P CB 0.031 31.720 31.700 -0.018 0.000 0.782 378 V N 1.146 121.039 119.914 -0.036 0.000 2.283 378 V HA -0.177 3.943 4.120 -0.001 0.000 0.243 378 V C 2.631 178.709 176.094 -0.027 0.000 1.039 378 V CA 1.770 64.049 62.300 -0.035 0.000 1.016 378 V CB -1.081 30.710 31.823 -0.053 0.000 0.650 378 V HN 0.066 nan 8.190 nan 0.000 0.449 379 I N 0.301 120.853 120.570 -0.030 0.000 2.761 379 I HA -0.010 4.159 4.170 -0.001 0.000 0.261 379 I C 2.362 178.471 176.117 -0.014 0.000 1.198 379 I CA 1.656 62.944 61.300 -0.020 0.000 1.482 379 I CB -0.496 37.489 38.000 -0.025 0.000 1.100 379 I HN 0.329 nan 8.210 nan 0.000 0.445 380 E N 1.819 122.010 120.200 -0.015 0.000 2.047 380 E HA -0.078 4.272 4.350 -0.001 0.000 0.191 380 E C 2.286 178.886 176.600 0.000 0.000 0.987 380 E CA 1.429 57.824 56.400 -0.008 0.000 0.799 380 E CB -1.056 28.639 29.700 -0.008 0.000 0.752 380 E HN 0.768 nan 8.360 nan 0.000 0.449 381 A N -0.124 122.696 122.820 0.001 0.000 1.898 381 A HA 0.175 4.495 4.320 -0.001 0.000 0.216 381 A C 2.361 179.946 177.584 0.002 0.000 1.181 381 A CA 1.535 53.577 52.037 0.008 0.000 0.620 381 A CB -0.094 18.911 19.000 0.009 0.000 0.819 381 A HN 0.435 nan 8.150 nan 0.000 0.442 382 L N -2.366 118.854 121.223 -0.004 0.000 2.609 382 L HA 0.397 4.736 4.340 -0.001 0.000 0.230 382 L C 1.200 178.072 176.870 0.003 0.000 1.087 382 L CA 0.306 55.143 54.840 -0.006 0.000 0.874 382 L CB -0.246 41.806 42.059 -0.012 0.000 1.114 382 L HN 0.622 nan 8.230 nan 0.000 0.488 383 G N 0.750 109.553 108.800 0.004 0.000 2.631 383 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.504 383 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.504 383 G C 0.424 175.337 174.900 0.022 0.000 1.306 383 G CA -0.094 45.012 45.100 0.010 0.000 0.897 383 G HN 0.122 nan 8.290 nan 0.000 0.520 384 T N -2.907 111.665 114.554 0.030 0.000 3.100 384 T HA 0.255 4.604 4.350 -0.001 0.000 0.253 384 T C 0.648 175.412 174.700 0.107 0.000 1.118 384 T CA 1.306 63.435 62.100 0.048 0.000 1.058 384 T CB 0.274 69.163 68.868 0.036 0.000 0.953 384 T HN 0.392 nan 8.240 nan 0.000 0.515 385 D N 2.544 123.010 120.400 0.111 0.000 2.713 385 D HA 0.405 5.045 4.640 -0.001 0.000 0.229 385 D C -0.020 176.472 176.300 0.321 0.000 1.136 385 D CA -0.262 53.856 54.000 0.198 0.000 1.010 385 D CB -0.330 40.492 40.800 0.037 0.000 1.084 385 D HN 0.718 nan 8.370 nan 0.000 0.495 386 I N -3.101 117.682 120.570 0.355 0.000 3.004 386 I HA 0.515 4.684 4.170 -0.001 0.000 0.305 386 I C -0.958 175.107 176.117 -0.087 0.000 1.312 386 I CA -1.266 60.154 61.300 0.201 0.000 0.992 386 I CB 1.964 40.003 38.000 0.065 0.000 1.282 386 I HN -0.370 nan 8.210 nan 0.000 0.449 387 V N 4.169 123.950 119.914 -0.221 0.000 2.394 387 V HA 0.449 4.568 4.120 -0.001 0.000 0.282 387 V C -0.002 176.057 176.094 -0.059 0.000 1.031 387 V CA -0.422 61.729 62.300 -0.249 0.000 0.881 387 V CB 1.453 33.093 31.823 -0.305 0.000 0.982 387 V HN 0.461 nan 8.190 nan 0.000 0.451 388 L N 4.805 126.045 121.223 0.028 0.000 2.295 388 L HA 0.550 4.890 4.340 -0.001 0.000 0.285 388 L C -0.051 176.902 176.870 0.139 0.000 1.035 388 L CA -0.207 54.669 54.840 0.060 0.000 0.806 388 L CB 1.458 43.550 42.059 0.055 0.000 1.214 388 L HN 0.530 nan 8.230 nan 0.000 0.426 389 Q N 4.089 123.949 119.800 0.100 0.000 2.331 389 Q HA 0.493 4.833 4.340 -0.001 0.000 0.267 389 Q C -1.735 174.314 176.000 0.081 0.000 1.006 389 Q CA -0.758 55.116 55.803 0.119 0.000 0.818 389 Q CB 2.010 30.856 28.738 0.180 0.000 1.276 389 Q HN 0.438 nan 8.270 nan 0.000 0.450 390 L N 3.707 124.982 121.223 0.087 0.000 2.427 390 L HA 0.474 4.814 4.340 -0.001 0.000 0.264 390 L C 0.783 177.677 176.870 0.040 0.000 0.989 390 L CA -0.136 54.740 54.840 0.060 0.000 0.865 390 L CB 1.869 43.979 42.059 0.086 0.000 1.209 390 L HN 0.803 nan 8.230 nan 0.000 0.430 391 G N 1.504 110.317 108.800 0.022 0.000 2.670 391 G HA2 0.111 4.071 3.960 -0.001 0.000 0.219 391 G HA3 0.111 4.071 3.960 -0.001 0.000 0.219 391 G C 1.289 176.203 174.900 0.023 0.000 1.342 391 G CA 0.603 45.718 45.100 0.025 0.000 0.902 391 G HN 0.692 nan 8.290 nan 0.000 0.553 392 G N 0.720 109.531 108.800 0.018 0.000 2.503 392 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.221 392 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.221 392 G C 1.692 176.584 174.900 -0.013 0.000 1.131 392 G CA 1.494 46.614 45.100 0.033 0.000 0.756 392 G HN 0.753 nan 8.290 nan 0.000 0.572 393 G N -0.934 107.766 108.800 -0.165 0.000 2.679 393 G HA2 0.125 4.085 3.960 -0.001 0.000 0.212 393 G HA3 0.125 4.085 3.960 -0.001 0.000 0.212 393 G C 1.522 176.357 174.900 -0.107 0.000 1.137 393 G CA 1.568 46.417 45.100 -0.419 0.000 0.787 393 G HN 0.427 nan 8.290 nan 0.000 0.534 394 T N 0.329 114.922 114.554 0.064 0.000 3.087 394 T HA 0.094 4.443 4.350 -0.001 0.000 0.237 394 T C 2.078 176.898 174.700 0.200 0.000 0.990 394 T CA -0.112 62.085 62.100 0.162 0.000 1.160 394 T CB -0.049 68.903 68.868 0.139 0.000 0.923 394 T HN 0.015 nan 8.240 nan 0.000 0.442 395 L N 1.784 123.089 121.223 0.138 0.000 2.187 395 L HA 0.116 4.455 4.340 -0.001 0.000 0.213 395 L C 2.495 179.482 176.870 0.195 0.000 1.100 395 L CA 1.461 56.373 54.840 0.121 0.000 0.765 395 L CB -1.155 40.945 42.059 0.068 0.000 0.904 395 L HN 0.407 nan 8.230 nan 0.000 0.437 396 G N -3.004 105.996 108.800 0.334 0.000 2.985 396 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.209 396 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.209 396 G C 0.701 175.769 174.900 0.280 0.000 1.165 396 G CA -0.263 45.073 45.100 0.394 0.000 0.776 396 G HN 0.362 nan 8.290 nan 0.000 0.541 397 H N 1.595 120.824 119.070 0.265 0.000 3.064 397 H HA 0.012 4.567 4.556 -0.001 0.000 0.329 397 H C -1.282 173.986 175.328 -0.099 0.000 1.020 397 H CA -0.914 55.156 56.048 0.037 0.000 1.402 397 H CB 1.567 31.399 29.762 0.117 0.000 1.379 397 H HN -0.020 nan 8.280 nan 0.000 0.594 398 P HA -0.131 nan 4.420 nan 0.000 0.217 398 P C 0.299 177.645 177.300 0.076 0.000 1.148 398 P CA 1.448 64.454 63.100 -0.156 0.000 0.828 398 P CB 0.327 31.845 31.700 -0.304 0.000 0.783 399 D N -1.142 119.483 120.400 0.375 0.000 2.427 399 D HA 0.320 4.959 4.640 -0.001 0.000 0.224 399 D C 1.068 177.409 176.300 0.068 0.000 1.157 399 D CA 0.422 54.525 54.000 0.171 0.000 0.828 399 D CB -0.016 40.864 40.800 0.132 0.000 0.974 399 D HN 0.097 nan 8.370 nan 0.000 0.498 400 G N 1.553 110.415 108.800 0.102 0.000 2.707 400 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.686 400 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.686 400 G C -2.193 172.701 174.900 -0.010 0.000 1.315 400 G CA -0.938 44.180 45.100 0.030 0.000 0.832 400 G HN -0.096 nan 8.290 nan 0.000 0.573 401 P HA -0.073 nan 4.420 nan 0.000 0.214 401 P C 2.413 179.672 177.300 -0.069 0.000 1.163 401 P CA 3.143 66.235 63.100 -0.015 0.000 0.889 401 P CB -0.112 31.569 31.700 -0.031 0.000 0.790 402 A N 0.010 122.777 122.820 -0.088 0.000 1.903 402 A HA -0.251 4.069 4.320 -0.001 0.000 0.219 402 A C 2.372 179.870 177.584 -0.143 0.000 1.191 402 A CA 2.778 54.751 52.037 -0.106 0.000 0.638 402 A CB -1.743 17.201 19.000 -0.093 0.000 0.823 402 A HN 0.225 nan 8.150 nan 0.000 0.451 403 A N -0.808 121.879 122.820 -0.222 0.000 1.930 403 A HA 0.158 4.477 4.320 -0.001 0.000 0.217 403 A C 2.438 179.704 177.584 -0.530 0.000 1.175 403 A CA 1.865 53.672 52.037 -0.383 0.000 0.627 403 A CB -1.399 17.295 19.000 -0.509 0.000 0.815 403 A HN 0.843 nan 8.150 nan 0.000 0.443 404 G N -0.566 107.953 108.800 -0.468 0.000 2.450 404 G HA2 0.001 3.960 3.960 -0.001 0.000 0.220 404 G HA3 0.001 3.960 3.960 -0.001 0.000 0.220 404 G C 1.634 176.551 174.900 0.029 0.000 1.130 404 G CA 1.413 46.464 45.100 -0.082 0.000 0.760 404 G HN 0.771 nan 8.290 nan 0.000 0.557 405 A N 0.650 123.472 122.820 0.002 0.000 1.898 405 A HA 0.127 4.447 4.320 -0.001 0.000 0.214 405 A C 2.421 180.018 177.584 0.022 0.000 1.183 405 A CA 1.200 53.289 52.037 0.086 0.000 0.622 405 A CB -0.292 18.744 19.000 0.060 0.000 0.824 405 A HN 0.311 nan 8.150 nan 0.000 0.444 406 R N -0.316 120.167 120.500 -0.029 0.000 2.096 406 R HA -0.092 4.248 4.340 -0.001 0.000 0.235 406 R C 2.440 178.738 176.300 -0.004 0.000 1.127 406 R CA 1.120 57.208 56.100 -0.020 0.000 0.968 406 R CB -0.452 29.828 30.300 -0.033 0.000 0.861 406 R HN 0.516 nan 8.270 nan 0.000 0.440 407 A N 0.722 123.543 122.820 0.001 0.000 1.877 407 A HA -0.129 4.190 4.320 -0.001 0.000 0.216 407 A C 2.354 179.936 177.584 -0.003 0.000 1.186 407 A CA 1.480 53.558 52.037 0.069 0.000 0.620 407 A CB -0.604 18.526 19.000 0.217 0.000 0.822 407 A HN 0.120 nan 8.150 nan 0.000 0.443 408 V N 0.161 120.012 119.914 -0.106 0.000 2.427 408 V HA -0.202 3.918 4.120 -0.001 0.000 0.248 408 V C 2.694 178.585 176.094 -0.337 0.000 1.051 408 V CA 1.904 64.014 62.300 -0.316 0.000 1.048 408 V CB -0.778 30.603 31.823 -0.736 0.000 0.666 408 V HN 0.439 nan 8.190 nan 0.000 0.456 409 R N -0.179 120.176 120.500 -0.242 0.000 2.115 409 R HA -0.103 4.236 4.340 -0.001 0.000 0.230 409 R C 2.228 178.475 176.300 -0.087 0.000 1.111 409 R CA 1.134 57.150 56.100 -0.141 0.000 0.976 409 R CB -0.479 29.798 30.300 -0.039 0.000 0.870 409 R HN 0.628 nan 8.270 nan 0.000 0.445 410 Q N -0.015 119.760 119.800 -0.042 0.000 2.016 410 Q HA -0.032 4.307 4.340 -0.001 0.000 0.200 410 Q C 2.198 178.143 176.000 -0.092 0.000 0.978 410 Q CA 1.643 57.455 55.803 0.016 0.000 0.833 410 Q CB -0.227 28.561 28.738 0.084 0.000 0.895 410 Q HN 0.320 nan 8.270 nan 0.000 0.427 411 A N 0.893 123.663 122.820 -0.082 0.000 1.917 411 A HA -0.220 4.100 4.320 -0.001 0.000 0.219 411 A C 2.031 179.499 177.584 -0.193 0.000 1.182 411 A CA 1.445 53.411 52.037 -0.119 0.000 0.633 411 A CB -0.740 18.214 19.000 -0.077 0.000 0.819 411 A HN 0.348 nan 8.150 nan 0.000 0.448 412 I N -0.531 119.927 120.570 -0.187 0.000 2.353 412 I HA -0.186 3.984 4.170 -0.001 0.000 0.248 412 I C 1.823 177.829 176.117 -0.186 0.000 1.119 412 I CA 1.196 62.395 61.300 -0.169 0.000 1.417 412 I CB -0.370 37.541 38.000 -0.148 0.000 1.078 412 I HN 0.245 nan 8.210 nan 0.000 0.421 413 D N 1.166 121.438 120.400 -0.213 0.000 2.117 413 D HA -0.157 4.483 4.640 -0.001 0.000 0.197 413 D C 2.282 178.318 176.300 -0.440 0.000 0.987 413 D CA 1.583 55.439 54.000 -0.239 0.000 0.829 413 D CB -0.121 40.589 40.800 -0.150 0.000 0.961 413 D HN 0.330 nan 8.370 nan 0.000 0.460 414 A N 0.948 123.302 122.820 -0.777 0.000 1.883 414 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 414 A C 2.394 179.743 177.584 -0.393 0.000 1.186 414 A CA 1.054 52.541 52.037 -0.915 0.000 0.624 414 A CB -0.719 17.708 19.000 -0.954 0.000 0.822 414 A HN 0.218 nan 8.150 nan 0.000 0.444 415 I N -0.724 119.685 120.570 -0.268 0.000 2.315 415 I HA -0.220 3.949 4.170 -0.001 0.000 0.248 415 I C 2.221 178.265 176.117 -0.121 0.000 1.117 415 I CA 0.922 62.130 61.300 -0.153 0.000 1.404 415 I CB -0.373 37.558 38.000 -0.115 0.000 1.071 415 I HN 0.260 nan 8.210 nan 0.000 0.419 416 M N -0.050 119.473 119.600 -0.128 0.000 2.446 416 M HA -0.171 4.308 4.480 -0.001 0.000 0.263 416 M C 1.696 177.950 176.300 -0.075 0.000 1.066 416 M CA 1.592 56.842 55.300 -0.084 0.000 1.087 416 M CB -0.883 31.673 32.600 -0.072 0.000 1.406 416 M HN 0.378 nan 8.290 nan 0.000 0.459 417 Q N -1.284 118.452 119.800 -0.107 0.000 2.281 417 Q HA 0.265 4.604 4.340 -0.001 0.000 0.215 417 Q C 1.055 177.020 176.000 -0.057 0.000 0.867 417 Q CA 0.388 56.148 55.803 -0.073 0.000 0.940 417 Q CB 0.804 29.495 28.738 -0.078 0.000 1.111 417 Q HN 0.640 nan 8.270 nan 0.000 0.513 418 G N 1.612 110.369 108.800 -0.072 0.000 2.148 418 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.254 418 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.254 418 G C -0.120 174.759 174.900 -0.036 0.000 0.981 418 G CA -0.064 45.007 45.100 -0.047 0.000 0.670 418 G HN 0.229 nan 8.290 nan 0.000 0.528 419 I N 2.281 122.817 120.570 -0.057 0.000 2.322 419 I HA 0.355 4.524 4.170 -0.001 0.000 0.292 419 I C -1.599 174.514 176.117 -0.007 0.000 1.060 419 I CA -2.417 58.879 61.300 -0.007 0.000 1.309 419 I CB 0.807 38.835 38.000 0.048 0.000 1.415 419 I HN -0.145 nan 8.210 nan 0.000 0.492 420 P HA -0.004 nan 4.420 nan 0.000 0.266 420 P C 1.026 178.376 177.300 0.083 0.000 1.186 420 P CA 0.094 63.216 63.100 0.037 0.000 0.767 420 P CB 0.568 32.291 31.700 0.039 0.000 0.820 421 L N 1.409 122.693 121.223 0.102 0.000 2.046 421 L HA -0.246 4.094 4.340 -0.001 0.000 0.208 421 L C 2.583 179.562 176.870 0.181 0.000 1.077 421 L CA 2.377 57.308 54.840 0.152 0.000 0.747 421 L CB -1.548 40.622 42.059 0.185 0.000 0.896 421 L HN 0.475 nan 8.230 nan 0.000 0.432 422 D N 0.133 120.639 120.400 0.177 0.000 2.116 422 D HA -0.258 4.382 4.640 -0.001 0.000 0.193 422 D C 2.116 178.490 176.300 0.124 0.000 0.998 422 D CA 2.222 56.312 54.000 0.150 0.000 0.836 422 D CB -0.599 40.282 40.800 0.134 0.000 0.951 422 D HN 0.569 nan 8.370 nan 0.000 0.449 423 E N -1.042 119.233 120.200 0.124 0.000 2.007 423 E HA -0.116 4.233 4.350 -0.001 0.000 0.194 423 E C 2.030 178.728 176.600 0.164 0.000 0.999 423 E CA 1.311 57.785 56.400 0.122 0.000 0.811 423 E CB -1.368 28.400 29.700 0.113 0.000 0.762 423 E HN 0.753 nan 8.360 nan 0.000 0.450 424 Y N 1.157 121.491 120.300 0.058 0.000 2.139 424 Y HA -0.151 4.398 4.550 -0.001 0.000 0.282 424 Y C 2.837 178.821 175.900 0.141 0.000 1.179 424 Y CA 1.935 60.077 58.100 0.069 0.000 1.161 424 Y CB -0.712 37.728 38.460 -0.034 0.000 0.970 424 Y HN 0.332 nan 8.280 nan 0.000 0.511 425 A N 0.060 123.000 122.820 0.200 0.000 1.892 425 A HA -0.300 4.019 4.320 -0.001 0.000 0.218 425 A C 2.204 179.838 177.584 0.083 0.000 1.188 425 A CA 2.198 54.318 52.037 0.138 0.000 0.631 425 A CB -0.719 18.349 19.000 0.114 0.000 0.822 425 A HN 0.526 nan 8.150 nan 0.000 0.447 426 K N -1.497 118.941 120.400 0.063 0.000 2.189 426 K HA -0.180 4.140 4.320 -0.001 0.000 0.207 426 K C 1.529 178.116 176.600 -0.022 0.000 1.046 426 K CA 1.731 58.031 56.287 0.022 0.000 0.928 426 K CB -0.254 32.261 32.500 0.025 0.000 0.720 426 K HN 0.522 nan 8.250 nan 0.000 0.458 427 T N -0.725 113.804 114.554 -0.041 0.000 3.215 427 T HA 0.098 4.448 4.350 -0.001 0.000 0.271 427 T C -1.122 173.305 174.700 -0.454 0.000 1.012 427 T CA -0.496 61.485 62.100 -0.199 0.000 0.899 427 T CB -0.008 68.722 68.868 -0.230 0.000 1.089 427 T HN 0.122 nan 8.240 nan 0.000 0.552 428 H N -0.169 118.810 119.070 -0.151 0.000 3.239 428 H HA 0.462 5.017 4.556 -0.001 0.000 0.320 428 H C 0.939 176.246 175.328 -0.035 0.000 1.074 428 H CA -0.181 55.797 56.048 -0.117 0.000 1.553 428 H CB 1.337 31.001 29.762 -0.164 0.000 1.752 428 H HN 0.085 nan 8.280 nan 0.000 0.513 429 K N 2.134 122.553 120.400 0.032 0.000 2.009 429 K HA -0.189 4.131 4.320 -0.001 0.000 0.210 429 K C 1.694 178.349 176.600 0.093 0.000 1.049 429 K CA 2.186 58.495 56.287 0.037 0.000 0.929 429 K CB -0.466 32.037 32.500 0.005 0.000 0.714 429 K HN 0.648 nan 8.250 nan 0.000 0.440 430 E N 0.296 120.567 120.200 0.118 0.000 2.097 430 E HA -0.147 4.202 4.350 -0.001 0.000 0.196 430 E C 2.019 178.798 176.600 0.298 0.000 1.000 430 E CA 1.303 57.827 56.400 0.207 0.000 0.804 430 E CB -0.321 29.424 29.700 0.076 0.000 0.740 430 E HN 0.404 nan 8.360 nan 0.000 0.454 431 L N 0.759 122.099 121.223 0.196 0.000 1.994 431 L HA -0.109 4.230 4.340 -0.001 0.000 0.208 431 L C 2.124 179.059 176.870 0.108 0.000 1.071 431 L CA 2.261 57.200 54.840 0.166 0.000 0.745 431 L CB -1.084 41.075 42.059 0.167 0.000 0.892 431 L HN 0.118 nan 8.230 nan 0.000 0.431 432 A N -0.368 122.504 122.820 0.086 0.000 1.883 432 A HA -0.227 4.093 4.320 -0.001 0.000 0.217 432 A C 2.343 179.911 177.584 -0.026 0.000 1.186 432 A CA 1.771 53.827 52.037 0.032 0.000 0.624 432 A CB -0.590 18.425 19.000 0.026 0.000 0.822 432 A HN 0.484 nan 8.150 nan 0.000 0.444 433 R N -0.476 120.008 120.500 -0.027 0.000 2.096 433 R HA -0.094 4.246 4.340 -0.001 0.000 0.235 433 R C 2.415 178.510 176.300 -0.342 0.000 1.127 433 R CA 1.348 57.358 56.100 -0.150 0.000 0.968 433 R CB -1.019 29.240 30.300 -0.069 0.000 0.861 433 R HN 0.564 nan 8.270 nan 0.000 0.440 434 A N 1.333 124.001 122.820 -0.254 0.000 1.858 434 A HA -0.101 4.219 4.320 -0.001 0.000 0.216 434 A C 2.388 179.910 177.584 -0.102 0.000 1.190 434 A CA 1.021 52.942 52.037 -0.193 0.000 0.617 434 A CB -0.616 18.478 19.000 0.157 0.000 0.827 434 A HN 0.174 nan 8.150 nan 0.000 0.443 435 L N -0.664 120.525 121.223 -0.057 0.000 2.042 435 L HA -0.232 4.108 4.340 -0.001 0.000 0.210 435 L C 2.704 179.490 176.870 -0.140 0.000 1.076 435 L CA 1.901 56.684 54.840 -0.095 0.000 0.749 435 L CB -0.589 41.419 42.059 -0.085 0.000 0.893 435 L HN 0.648 nan 8.230 nan 0.000 0.432 436 E N 0.777 120.884 120.200 -0.154 0.000 2.085 436 E HA -0.308 4.042 4.350 -0.001 0.000 0.194 436 E C 2.214 178.670 176.600 -0.240 0.000 0.994 436 E CA 1.672 57.973 56.400 -0.164 0.000 0.801 436 E CB 0.084 29.691 29.700 -0.155 0.000 0.743 436 E HN 0.362 nan 8.360 nan 0.000 0.453 437 K N -0.746 119.417 120.400 -0.396 0.000 2.044 437 K HA -0.097 4.222 4.320 -0.001 0.000 0.204 437 K C 1.595 177.875 176.600 -0.533 0.000 1.049 437 K CA 1.296 57.226 56.287 -0.595 0.000 0.945 437 K CB 0.023 31.892 32.500 -1.053 0.000 0.724 437 K HN 0.250 nan 8.250 nan 0.000 0.440 438 W N 0.580 121.702 121.300 -0.298 0.000 2.993 438 W HA 0.270 4.929 4.660 -0.001 0.000 0.290 438 W C 1.168 177.485 176.519 -0.336 0.000 1.203 438 W CA 0.544 57.635 57.345 -0.424 0.000 1.582 438 W CB -0.386 28.530 29.460 -0.907 0.000 1.033 438 W HN 0.445 nan 8.180 nan 0.000 0.594 439 G N 1.839 110.591 108.800 -0.080 0.000 2.634 439 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.309 439 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.309 439 G C 0.323 175.116 174.900 -0.178 0.000 1.265 439 G CA 1.028 46.049 45.100 -0.133 0.000 0.998 439 G HN 0.465 nan 8.290 nan 0.000 0.551 440 H N -0.258 118.919 119.070 0.178 0.000 2.467 440 H HA 0.437 4.992 4.556 -0.001 0.000 0.275 440 H C 0.618 176.068 175.328 0.203 0.000 1.131 440 H CA 0.151 56.326 56.048 0.212 0.000 0.989 440 H CB -0.015 29.815 29.762 0.113 0.000 1.696 440 H HN 0.285 nan 8.280 nan 0.000 0.574 441 V N 1.708 121.809 119.914 0.313 0.000 2.881 441 V HA 0.024 4.143 4.120 -0.001 0.000 0.303 441 V C 0.965 177.212 176.094 0.255 0.000 1.070 441 V CA 0.177 62.622 62.300 0.241 0.000 1.074 441 V CB 1.585 33.517 31.823 0.181 0.000 1.012 441 V HN 0.282 nan 8.190 nan 0.000 0.482 442 T N 5.907 120.547 114.554 0.143 0.000 2.738 442 T HA 0.369 4.719 4.350 -0.001 0.000 0.298 442 T C -2.311 172.439 174.700 0.083 0.000 0.962 442 T CA -0.749 61.404 62.100 0.087 0.000 0.972 442 T CB 1.050 69.950 68.868 0.053 0.000 0.928 442 T HN 0.511 nan 8.240 nan 0.000 0.474 443 P HA 0.376 nan 4.420 nan 0.000 0.269 443 P C -0.727 176.601 177.300 0.046 0.000 1.209 443 P CA -0.341 62.797 63.100 0.064 0.000 0.776 443 P CB 0.673 32.399 31.700 0.043 0.000 0.876 444 V N 0.000 119.943 119.914 0.048 0.000 2.409 444 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 444 V CA 0.000 62.324 62.300 0.040 0.000 1.235 444 V CB 0.000 31.847 31.823 0.039 0.000 1.184 444 V HN 0.000 nan 8.190 nan 0.000 0.556