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 3nm1_1_E DATA FIRST_RESID 2 DATA SEQUENCE KFSKEQFDYS LYLVTDSGMI PEGKTLYGQV EAGXXNGVTL VQIREKDADT DATA SEQUENCE KFFIEEALQI KELCHAHNVP LIINDRIDVA MAIGADGIHV GQDDMPIPMI DATA SEQUENCE RKLVGXXMVI GWSVGFPEEV DELSKMGPXX VDYIGVGTLF PTLTKKNPKK DATA SEQUENCE APMGTAGAIR VLDALERNNA HWCRTVGIGG LHPDNIERVL YQCVSSNGKR DATA SEQUENCE SLDGICVVSD IIASLDAAKS TKILRGLIDK TDYKFVNIGL SXXXSLTTTD DATA SEQUENCE EIQSIISNTL KARPLVQHIT NKVHQNFGAN VTLALGSSPI MSEIQSEVND DATA SEQUENCE LAAIPHATLL LNTGSVAPPE MLKAAIRAYN DVKRPIVFDP VGYSATETRL DATA SEQUENCE LLNNLLLTFG QFSCIKGNSS EILGLAELXX XXXXXXXXXX XXSNELLIQA DATA SEQUENCE TKIVAFKYKT VAVCTGEFDF IADGTIEGKY SLSXXTNGTS VEDIPCVAVE DATA SEQUENCE AGPIXXXXXX XXXGCSLGST IACMIGGQPS EGNLFHAVVA GVMLYKAAGK DATA SEQUENCE IASEKCNGSG SFQVELIDAL YRLTRENTPV TWAPKLTHT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.247 176.600 -0.588 0.000 0.988 2 K CA 0.000 56.077 56.287 -0.350 0.000 0.838 2 K CB 0.000 32.444 32.500 -0.094 0.000 1.064 3 F N 0.374 120.229 119.950 -0.158 0.000 2.613 3 F HA 0.659 6.523 4.527 2.228 0.000 0.342 3 F C 0.202 175.838 175.800 -0.273 0.000 1.066 3 F CA -0.516 57.325 58.000 -0.265 0.000 1.002 3 F CB 2.235 40.977 39.000 -0.429 0.000 1.319 3 F HN 0.607 nan 8.300 nan 0.000 0.495 4 S N 0.024 115.655 115.700 -0.115 0.000 2.513 4 S HA 0.368 6.173 4.470 2.225 0.000 0.299 4 S C 0.474 174.941 174.600 -0.222 0.000 1.087 4 S CA -0.801 57.326 58.200 -0.122 0.000 1.012 4 S CB 1.587 64.750 63.200 -0.061 0.000 1.044 4 S HN 0.675 nan 8.310 nan 0.000 0.485 5 K N 1.972 122.321 120.400 -0.084 0.000 2.081 5 K HA -0.250 5.405 4.320 2.225 0.000 0.222 5 K C 1.826 178.456 176.600 0.050 0.000 1.055 5 K CA 2.382 58.706 56.287 0.063 0.000 0.954 5 K CB -0.946 31.662 32.500 0.180 0.000 0.732 5 K HN 0.923 nan 8.250 nan 0.000 0.458 6 E N 1.773 121.997 120.200 0.040 0.000 2.381 6 E HA -0.114 5.571 4.350 2.225 0.000 0.198 6 E C 1.035 177.642 176.600 0.013 0.000 1.204 6 E CA 0.703 57.140 56.400 0.061 0.000 0.998 6 E CB -0.713 29.023 29.700 0.061 0.000 1.080 6 E HN 0.544 nan 8.360 nan 0.000 0.481 7 Q N -1.627 118.124 119.800 -0.083 0.000 2.126 7 Q HA 0.244 5.919 4.340 2.225 0.000 0.233 7 Q C -0.465 175.439 176.000 -0.160 0.000 0.788 7 Q CA -0.510 55.235 55.803 -0.098 0.000 0.968 7 Q CB 0.694 29.395 28.738 -0.062 0.000 1.163 7 Q HN 0.501 nan 8.270 nan 0.000 0.471 8 F N 2.512 122.401 119.950 -0.103 0.000 2.494 8 F HA 0.069 5.932 4.527 2.227 0.000 0.369 8 F C 0.555 176.128 175.800 -0.378 0.000 1.098 8 F CA -0.923 56.856 58.000 -0.369 0.000 1.154 8 F CB 0.349 39.078 39.000 -0.452 0.000 1.103 8 F HN -0.110 nan 8.300 nan 0.000 0.549 9 D N 3.659 123.938 120.400 -0.202 0.000 2.422 9 D HA 0.052 6.027 4.640 2.225 0.000 0.227 9 D C 0.436 176.565 176.300 -0.285 0.000 1.190 9 D CA -0.079 53.833 54.000 -0.146 0.000 0.905 9 D CB 0.046 40.794 40.800 -0.087 0.000 1.034 9 D HN 0.386 nan 8.370 nan 0.000 0.507 10 Y N 1.646 121.871 120.300 -0.124 0.000 2.632 10 Y HA -0.087 5.796 4.550 2.223 0.000 0.301 10 Y C 2.417 178.272 175.900 -0.076 0.000 1.172 10 Y CA 0.072 58.063 58.100 -0.181 0.000 1.328 10 Y CB -0.155 38.195 38.460 -0.184 0.000 1.016 10 Y HN 0.303 nan 8.280 nan 0.000 0.529 11 S N 0.471 116.209 115.700 0.064 0.000 2.422 11 S HA -0.237 5.568 4.470 2.225 0.000 0.248 11 S C 0.610 175.243 174.600 0.054 0.000 1.069 11 S CA 1.537 59.771 58.200 0.056 0.000 1.214 11 S CB -0.526 62.690 63.200 0.027 0.000 1.122 11 S HN 0.286 nan 8.310 nan 0.000 0.432 12 L N 0.861 122.100 121.223 0.028 0.000 2.388 12 L HA 0.452 6.127 4.340 2.225 0.000 0.267 12 L C -1.557 175.352 176.870 0.065 0.000 0.995 12 L CA -0.634 54.229 54.840 0.039 0.000 0.864 12 L CB 1.204 43.271 42.059 0.013 0.000 1.216 12 L HN 0.260 nan 8.230 nan 0.000 0.430 13 Y N 5.998 126.253 120.300 -0.075 0.000 2.417 13 Y HA 0.503 6.390 4.550 2.227 0.000 0.336 13 Y C -1.240 174.605 175.900 -0.093 0.000 0.961 13 Y CA -1.550 56.486 58.100 -0.106 0.000 1.215 13 Y CB 1.423 39.822 38.460 -0.102 0.000 1.120 13 Y HN 0.611 nan 8.280 nan 0.000 0.499 14 L N 7.574 128.929 121.223 0.219 0.000 2.265 14 L HA 0.530 6.205 4.340 2.225 0.000 0.288 14 L C -1.130 175.743 176.870 0.004 0.000 1.058 14 L CA -0.228 54.636 54.840 0.041 0.000 0.809 14 L CB 0.797 42.867 42.059 0.018 0.000 1.179 14 L HN 0.360 nan 8.230 nan 0.000 0.429 15 V N 4.354 124.193 119.914 -0.124 0.000 2.532 15 V HA 0.485 5.940 4.120 2.225 0.000 0.295 15 V C 0.512 176.572 176.094 -0.057 0.000 1.041 15 V CA -0.527 61.697 62.300 -0.125 0.000 0.926 15 V CB 1.831 33.504 31.823 -0.249 0.000 0.992 15 V HN 0.851 nan 8.190 nan 0.000 0.457 16 T N 3.179 117.723 114.554 -0.018 0.000 2.909 16 T HA 0.465 6.150 4.350 2.225 0.000 0.286 16 T C -0.821 173.874 174.700 -0.010 0.000 1.002 16 T CA -0.138 61.963 62.100 0.002 0.000 1.074 16 T CB 0.982 69.873 68.868 0.038 0.000 0.984 16 T HN 0.863 nan 8.240 nan 0.000 0.495 17 D N -0.113 120.283 120.400 -0.007 0.000 2.891 17 D HA 0.320 6.295 4.640 2.225 0.000 0.224 17 D C 1.039 177.337 176.300 -0.004 0.000 1.321 17 D CA -0.392 53.599 54.000 -0.015 0.000 0.929 17 D CB 1.261 42.048 40.800 -0.021 0.000 1.551 17 D HN 0.368 nan 8.370 nan 0.000 0.574 18 S N 2.020 117.714 115.700 -0.009 0.000 2.336 18 S HA 0.066 5.871 4.470 2.225 0.000 0.214 18 S C 1.426 176.023 174.600 -0.005 0.000 1.032 18 S CA 0.526 58.730 58.200 0.006 0.000 1.001 18 S CB -0.630 62.566 63.200 -0.006 0.000 0.953 18 S HN 0.474 nan 8.310 nan 0.000 0.430 19 G N 0.554 109.337 108.800 -0.028 0.000 2.360 19 G HA2 0.535 5.830 3.960 2.225 0.000 0.279 19 G HA3 0.535 5.830 3.960 2.225 0.000 0.279 19 G C -0.124 174.766 174.900 -0.018 0.000 1.189 19 G CA 0.011 45.095 45.100 -0.027 0.000 0.941 19 G HN 0.832 nan 8.290 nan 0.000 0.445 20 M N 2.002 121.597 119.600 -0.009 0.000 3.201 20 M HA -0.081 5.734 4.480 2.225 0.000 0.259 20 M C -1.060 175.241 176.300 0.002 0.000 0.444 20 M CA -0.027 55.271 55.300 -0.004 0.000 0.992 20 M CB -1.113 31.484 32.600 -0.005 0.000 3.504 20 M HN 0.374 nan 8.290 nan 0.000 0.325 21 I N 3.602 124.176 120.570 0.006 0.000 2.396 21 I HA 0.386 5.891 4.170 2.225 0.000 0.292 21 I C -1.799 174.324 176.117 0.011 0.000 0.999 21 I CA -1.692 59.616 61.300 0.013 0.000 1.310 21 I CB 1.031 39.045 38.000 0.023 0.000 1.404 21 I HN 0.061 nan 8.210 nan 0.000 0.496 22 P HA 0.117 nan 4.420 nan 0.000 0.268 22 P C -0.217 177.090 177.300 0.012 0.000 1.205 22 P CA -0.105 63.000 63.100 0.009 0.000 0.771 22 P CB 0.353 32.057 31.700 0.008 0.000 0.858 23 E N 1.491 121.696 120.200 0.009 0.000 2.498 23 E HA 0.354 6.039 4.350 2.225 0.000 0.252 23 E C 1.317 177.925 176.600 0.013 0.000 1.025 23 E CA 0.357 56.763 56.400 0.011 0.000 0.938 23 E CB -0.962 28.742 29.700 0.007 0.000 0.947 23 E HN 0.856 nan 8.360 nan 0.000 0.478 24 G N 2.645 111.456 108.800 0.018 0.000 2.436 24 G HA2 -0.181 5.114 3.960 2.225 0.000 0.204 24 G HA3 -0.181 5.114 3.960 2.225 0.000 0.204 24 G C 0.679 175.596 174.900 0.028 0.000 1.026 24 G CA 0.108 45.220 45.100 0.021 0.000 0.658 24 G HN 0.689 nan 8.290 nan 0.000 0.499 25 K N 1.276 121.693 120.400 0.028 0.000 2.090 25 K HA 0.655 6.310 4.320 2.225 0.000 0.249 25 K C 0.283 176.911 176.600 0.047 0.000 0.995 25 K CA 0.190 56.498 56.287 0.035 0.000 0.914 25 K CB 1.346 33.862 32.500 0.025 0.000 1.057 25 K HN 0.381 nan 8.250 nan 0.000 0.462 26 T N -1.571 113.021 114.554 0.063 0.000 2.926 26 T HA 0.230 5.915 4.350 2.225 0.000 0.289 26 T C 0.725 175.478 174.700 0.088 0.000 1.054 26 T CA -0.919 61.232 62.100 0.086 0.000 1.015 26 T CB 1.028 69.966 68.868 0.118 0.000 1.167 26 T HN 0.357 nan 8.240 nan 0.000 0.526 27 L N 0.153 121.440 121.223 0.107 0.000 2.017 27 L HA 0.043 5.718 4.340 2.225 0.000 0.208 27 L C 2.263 179.200 176.870 0.112 0.000 1.073 27 L CA 1.775 56.674 54.840 0.098 0.000 0.745 27 L CB -1.278 40.849 42.059 0.114 0.000 0.894 27 L HN 0.816 nan 8.230 nan 0.000 0.432 28 Y N 0.452 120.765 120.300 0.022 0.000 2.014 28 Y HA -0.257 5.628 4.550 2.226 0.000 0.272 28 Y C 2.398 178.307 175.900 0.015 0.000 1.164 28 Y CA 2.117 60.227 58.100 0.018 0.000 1.114 28 Y CB -1.101 37.369 38.460 0.016 0.000 0.961 28 Y HN 0.256 nan 8.280 nan 0.000 0.489 29 G N -0.251 108.604 108.800 0.092 0.000 2.556 29 G HA2 -0.342 4.953 3.960 2.225 0.000 0.220 29 G HA3 -0.342 4.953 3.960 2.225 0.000 0.220 29 G C 1.494 176.356 174.900 -0.064 0.000 1.156 29 G CA 1.406 46.511 45.100 0.008 0.000 0.766 29 G HN 0.407 nan 8.290 nan 0.000 0.583 30 Q N 0.021 119.797 119.800 -0.039 0.000 1.965 30 Q HA -0.018 5.657 4.340 2.225 0.000 0.200 30 Q C 3.012 178.957 176.000 -0.092 0.000 0.981 30 Q CA 1.300 57.074 55.803 -0.048 0.000 0.834 30 Q CB -1.188 27.538 28.738 -0.019 0.000 0.900 30 Q HN 0.381 nan 8.270 nan 0.000 0.426 31 V N 1.721 121.577 119.914 -0.096 0.000 3.140 31 V HA -0.209 5.246 4.120 2.225 0.000 0.269 31 V C 2.117 178.080 176.094 -0.219 0.000 1.149 31 V CA 1.708 63.934 62.300 -0.122 0.000 1.162 31 V CB -0.699 31.079 31.823 -0.075 0.000 0.756 31 V HN 0.389 nan 8.190 nan 0.000 0.523 32 E N 0.710 120.734 120.200 -0.294 0.000 2.042 32 E HA -0.099 5.586 4.350 2.225 0.000 0.189 32 E C 2.376 178.834 176.600 -0.236 0.000 0.974 32 E CA 0.943 57.140 56.400 -0.338 0.000 0.806 32 E CB -0.214 29.236 29.700 -0.416 0.000 0.769 32 E HN 0.475 nan 8.360 nan 0.000 0.451 33 A N 1.423 124.148 122.820 -0.158 0.000 1.954 33 A HA -0.169 5.486 4.320 2.225 0.000 0.222 33 A C 1.565 179.084 177.584 -0.109 0.000 1.199 33 A CA 1.909 53.885 52.037 -0.102 0.000 0.657 33 A CB -1.480 17.480 19.000 -0.067 0.000 0.823 33 A HN 0.393 nan 8.150 nan 0.000 0.463 38 G N 0.401 109.180 108.800 -0.035 0.000 3.254 38 G HA2 -0.115 5.180 3.960 2.225 0.000 0.219 38 G HA3 -0.115 5.180 3.960 2.225 0.000 0.219 38 G C -0.061 174.821 174.900 -0.031 0.000 0.964 38 G CA -0.016 45.071 45.100 -0.023 0.000 0.823 38 G HN 0.058 nan 8.290 nan 0.000 0.579 39 V N 2.362 122.246 119.914 -0.049 0.000 2.763 39 V HA 0.403 5.858 4.120 2.225 0.000 0.306 39 V C 1.405 177.464 176.094 -0.059 0.000 1.059 39 V CA 1.630 63.901 62.300 -0.048 0.000 1.138 39 V CB 1.266 33.056 31.823 -0.056 0.000 0.940 39 V HN 0.567 nan 8.190 nan 0.000 0.489 40 T N 1.910 116.421 114.554 -0.071 0.000 3.275 40 T HA 0.539 6.224 4.350 2.225 0.000 0.298 40 T C -0.469 174.111 174.700 -0.199 0.000 0.988 40 T CA -0.190 61.846 62.100 -0.107 0.000 0.936 40 T CB 0.077 68.889 68.868 -0.093 0.000 1.159 40 T HN 0.319 nan 8.240 nan 0.000 0.519 41 L N 0.774 121.884 121.223 -0.189 0.000 2.703 41 L HA 0.632 6.306 4.340 2.225 0.000 0.257 41 L C -2.070 174.732 176.870 -0.113 0.000 0.923 41 L CA -0.595 54.058 54.840 -0.312 0.000 0.936 41 L CB 2.013 43.644 42.059 -0.713 0.000 1.482 41 L HN 0.006 nan 8.230 nan 0.000 0.432 42 V N 4.077 123.947 119.914 -0.073 0.000 2.577 42 V HA 0.580 6.035 4.120 2.225 0.000 0.303 42 V C -0.579 175.593 176.094 0.131 0.000 1.042 42 V CA -0.466 61.873 62.300 0.066 0.000 0.872 42 V CB 1.836 33.677 31.823 0.029 0.000 0.998 42 V HN 0.846 nan 8.190 nan 0.000 0.423 43 Q N 4.856 124.798 119.800 0.235 0.000 2.282 43 Q HA 0.654 6.329 4.340 2.225 0.000 0.260 43 Q C -1.351 174.729 176.000 0.135 0.000 0.964 43 Q CA -0.612 55.318 55.803 0.211 0.000 0.880 43 Q CB 1.847 30.732 28.738 0.244 0.000 1.286 43 Q HN 0.731 nan 8.270 nan 0.000 0.445 44 I N 3.973 124.640 120.570 0.161 0.000 2.321 44 I HA 0.403 5.908 4.170 2.225 0.000 0.291 44 I C -0.128 176.113 176.117 0.207 0.000 0.998 44 I CA -0.522 60.888 61.300 0.183 0.000 1.227 44 I CB 1.294 39.444 38.000 0.251 0.000 1.368 44 I HN 0.587 nan 8.210 nan 0.000 0.466 45 R N 5.688 126.254 120.500 0.111 0.000 2.435 45 R HA 0.323 5.998 4.340 2.225 0.000 0.308 45 R C -1.105 175.164 176.300 -0.052 0.000 0.975 45 R CA -0.430 55.707 56.100 0.062 0.000 0.867 45 R CB 1.132 31.445 30.300 0.023 0.000 1.171 45 R HN 0.516 nan 8.270 nan 0.000 0.470 46 E N 4.035 124.133 120.200 -0.170 0.000 2.675 46 E HA 0.137 5.822 4.350 2.225 0.000 0.236 46 E C -0.353 176.092 176.600 -0.258 0.000 1.059 46 E CA -0.471 55.706 56.400 -0.371 0.000 0.775 46 E CB 1.521 30.654 29.700 -0.945 0.000 1.356 46 E HN 0.423 nan 8.360 nan 0.000 0.403 47 K N 0.762 121.086 120.400 -0.126 0.000 2.487 47 K HA 0.040 5.694 4.320 2.225 0.000 0.192 47 K C 0.149 176.708 176.600 -0.069 0.000 1.027 47 K CA 0.513 56.764 56.287 -0.060 0.000 1.054 47 K CB 0.688 33.168 32.500 -0.033 0.000 0.824 47 K HN 0.306 nan 8.250 nan 0.000 0.510 48 D N -0.401 119.927 120.400 -0.119 0.000 2.559 48 D HA 0.078 6.053 4.640 2.225 0.000 0.296 48 D C 0.348 176.569 176.300 -0.132 0.000 1.118 48 D CA 0.019 53.956 54.000 -0.106 0.000 0.967 48 D CB -0.229 40.509 40.800 -0.104 0.000 1.607 48 D HN -0.029 nan 8.370 nan 0.000 0.493 49 A N 1.690 124.386 122.820 -0.207 0.000 2.583 49 A HA 0.029 5.684 4.320 2.225 0.000 0.231 49 A C 0.195 177.730 177.584 -0.081 0.000 1.065 49 A CA 0.507 52.410 52.037 -0.223 0.000 0.760 49 A CB 0.082 18.916 19.000 -0.277 0.000 1.001 49 A HN -0.038 nan 8.150 nan 0.000 0.509 50 D N 0.684 121.074 120.400 -0.017 0.000 2.339 50 D HA 0.250 6.225 4.640 2.225 0.000 0.245 50 D C 1.493 177.916 176.300 0.204 0.000 1.115 50 D CA 0.470 54.519 54.000 0.082 0.000 0.917 50 D CB 0.990 41.829 40.800 0.065 0.000 1.192 50 D HN 0.566 nan 8.370 nan 0.000 0.428 51 T N 0.911 115.587 114.554 0.203 0.000 2.849 51 T HA -0.189 5.496 4.350 2.225 0.000 0.270 51 T C 1.679 176.522 174.700 0.240 0.000 1.066 51 T CA 1.138 63.392 62.100 0.258 0.000 1.130 51 T CB 0.192 69.155 68.868 0.159 0.000 0.864 51 T HN 0.353 nan 8.240 nan 0.000 0.481 52 K N 0.168 120.685 120.400 0.195 0.000 2.044 52 K HA 0.060 5.715 4.320 2.225 0.000 0.204 52 K C 1.984 178.706 176.600 0.204 0.000 1.049 52 K CA 0.752 57.134 56.287 0.159 0.000 0.945 52 K CB -0.277 32.294 32.500 0.118 0.000 0.724 52 K HN 0.327 nan 8.250 nan 0.000 0.440 53 F N 0.678 120.686 119.950 0.096 0.000 2.202 53 F HA -0.247 5.615 4.527 2.224 0.000 0.301 53 F C 1.877 177.768 175.800 0.152 0.000 1.082 53 F CA 0.964 59.015 58.000 0.085 0.000 1.313 53 F CB -0.107 38.918 39.000 0.042 0.000 1.024 53 F HN 0.050 nan 8.300 nan 0.000 0.495 54 F N 1.159 121.273 119.950 0.273 0.000 2.069 54 F HA -0.231 5.630 4.527 2.224 0.000 0.298 54 F C 2.084 177.920 175.800 0.060 0.000 1.113 54 F CA 1.668 59.774 58.000 0.177 0.000 1.214 54 F CB -0.940 38.138 39.000 0.130 0.000 0.978 54 F HN -0.042 nan 8.300 nan 0.000 0.474 55 I N -0.363 120.355 120.570 0.247 0.000 2.353 55 I HA -0.233 5.272 4.170 2.225 0.000 0.248 55 I C 2.268 178.399 176.117 0.023 0.000 1.119 55 I CA 1.077 62.412 61.300 0.059 0.000 1.417 55 I CB -0.506 37.499 38.000 0.009 0.000 1.078 55 I HN 0.143 nan 8.210 nan 0.000 0.421 56 E N 0.608 120.799 120.200 -0.016 0.000 2.085 56 E HA -0.305 5.380 4.350 2.225 0.000 0.194 56 E C 2.044 178.571 176.600 -0.122 0.000 0.994 56 E CA 1.583 57.923 56.400 -0.101 0.000 0.801 56 E CB -0.047 29.539 29.700 -0.189 0.000 0.743 56 E HN 0.468 nan 8.360 nan 0.000 0.453 57 E N 0.200 120.319 120.200 -0.136 0.000 2.076 57 E HA -0.126 5.559 4.350 2.225 0.000 0.190 57 E C 2.038 178.663 176.600 0.041 0.000 0.979 57 E CA 0.745 57.094 56.400 -0.085 0.000 0.807 57 E CB -0.033 29.623 29.700 -0.073 0.000 0.761 57 E HN 0.214 nan 8.360 nan 0.000 0.454 58 A N 1.513 124.401 122.820 0.113 0.000 1.869 58 A HA -0.243 5.412 4.320 2.225 0.000 0.218 58 A C 2.208 179.811 177.584 0.032 0.000 1.203 58 A CA 1.678 53.775 52.037 0.099 0.000 0.638 58 A CB -1.009 18.029 19.000 0.064 0.000 0.831 58 A HN 0.330 nan 8.150 nan 0.000 0.450 59 L N -1.104 120.121 121.223 0.003 0.000 2.012 59 L HA -0.271 5.404 4.340 2.225 0.000 0.210 59 L C 2.942 179.807 176.870 -0.008 0.000 1.073 59 L CA 2.054 56.886 54.840 -0.015 0.000 0.748 59 L CB -0.783 41.263 42.059 -0.022 0.000 0.891 59 L HN 0.605 nan 8.230 nan 0.000 0.431 60 Q N 0.099 119.893 119.800 -0.010 0.000 2.226 60 Q HA -0.178 5.497 4.340 2.225 0.000 0.204 60 Q C 2.210 178.267 176.000 0.096 0.000 0.975 60 Q CA 1.287 57.087 55.803 -0.005 0.000 0.866 60 Q CB 0.144 28.840 28.738 -0.070 0.000 0.915 60 Q HN 0.567 nan 8.270 nan 0.000 0.440 61 I N -0.212 120.419 120.570 0.101 0.000 2.731 61 I HA -0.168 5.337 4.170 2.225 0.000 0.260 61 I C 2.380 178.535 176.117 0.064 0.000 1.138 61 I CA 0.352 61.734 61.300 0.137 0.000 1.461 61 I CB -0.124 37.947 38.000 0.118 0.000 1.128 61 I HN 0.116 nan 8.210 nan 0.000 0.438 62 K N 1.571 121.964 120.400 -0.012 0.000 2.059 62 K HA -0.323 5.332 4.320 2.225 0.000 0.212 62 K C 1.979 178.467 176.600 -0.187 0.000 1.050 62 K CA 2.508 58.694 56.287 -0.169 0.000 0.927 62 K CB -0.139 32.239 32.500 -0.204 0.000 0.714 62 K HN 0.351 nan 8.250 nan 0.000 0.447 63 E N 0.759 120.938 120.200 -0.036 0.000 2.077 63 E HA -0.203 5.482 4.350 2.225 0.000 0.193 63 E C 2.163 178.848 176.600 0.142 0.000 0.989 63 E CA 1.132 57.566 56.400 0.056 0.000 0.800 63 E CB -0.295 29.443 29.700 0.063 0.000 0.746 63 E HN 0.398 nan 8.360 nan 0.000 0.452 64 L N 0.352 121.690 121.223 0.192 0.000 2.083 64 L HA -0.167 5.508 4.340 2.225 0.000 0.209 64 L C 2.189 179.209 176.870 0.250 0.000 1.083 64 L CA 1.481 56.467 54.840 0.244 0.000 0.752 64 L CB -0.467 41.727 42.059 0.225 0.000 0.899 64 L HN 0.495 nan 8.230 nan 0.000 0.433 65 C N -0.349 119.052 119.300 0.168 0.000 2.491 65 C HA -0.198 5.597 4.460 2.225 0.000 0.283 65 C C 2.536 177.731 174.990 0.343 0.000 1.238 65 C CA 0.619 59.756 59.018 0.198 0.000 1.735 65 C CB -1.363 26.445 27.740 0.114 0.000 2.080 65 C HN 0.587 nan 8.230 nan 0.000 0.463 66 H N 0.733 119.917 119.070 0.190 0.000 2.539 66 H HA -0.058 5.833 4.556 2.224 0.000 0.292 66 H C 2.084 177.478 175.328 0.110 0.000 1.069 66 H CA 1.404 57.554 56.048 0.171 0.000 1.244 66 H CB -0.569 29.261 29.762 0.113 0.000 1.365 66 H HN 0.555 nan 8.280 nan 0.000 0.575 67 A N -0.612 122.339 122.820 0.218 0.000 2.123 67 A HA -0.040 5.615 4.320 2.225 0.000 0.214 67 A C 1.081 178.605 177.584 -0.100 0.000 1.152 67 A CA 0.620 52.682 52.037 0.042 0.000 0.728 67 A CB -0.113 18.889 19.000 0.004 0.000 0.814 67 A HN 0.422 nan 8.150 nan 0.000 0.464 68 H N -1.402 117.733 119.070 0.109 0.000 2.505 68 H HA 0.189 6.080 4.556 2.226 0.000 0.286 68 H C 0.385 175.780 175.328 0.111 0.000 1.072 68 H CA 0.129 56.226 56.048 0.082 0.000 1.141 68 H CB 0.116 29.909 29.762 0.052 0.000 1.550 68 H HN 0.435 nan 8.280 nan 0.000 0.547 69 N N 0.821 119.663 118.700 0.236 0.000 2.716 69 N HA -0.188 5.887 4.740 2.225 0.000 0.250 69 N C -1.081 174.658 175.510 0.382 0.000 1.033 69 N CA 0.664 53.898 53.050 0.307 0.000 0.727 69 N CB -1.084 37.517 38.487 0.190 0.000 0.950 69 N HN 0.290 nan 8.380 nan 0.000 0.541 70 V N 0.347 120.460 119.914 0.332 0.000 2.604 70 V HA 0.740 6.195 4.120 2.225 0.000 0.305 70 V C -2.086 174.059 176.094 0.085 0.000 1.043 70 V CA -1.852 60.487 62.300 0.066 0.000 0.888 70 V CB 1.835 33.672 31.823 0.024 0.000 0.995 70 V HN 0.066 nan 8.190 nan 0.000 0.429 71 P HA 0.311 nan 4.420 nan 0.000 0.275 71 P C -1.434 175.908 177.300 0.070 0.000 1.270 71 P CA -0.297 62.762 63.100 -0.069 0.000 0.791 71 P CB 0.427 32.038 31.700 -0.149 0.000 1.089 72 L N 0.525 121.829 121.223 0.136 0.000 2.568 72 L HA 0.410 6.085 4.340 2.225 0.000 0.262 72 L C -1.197 175.722 176.870 0.082 0.000 0.980 72 L CA -0.381 54.504 54.840 0.074 0.000 0.882 72 L CB 0.310 42.401 42.059 0.054 0.000 1.198 72 L HN 0.075 nan 8.230 nan 0.000 0.425 73 I N 4.611 125.212 120.570 0.053 0.000 3.021 73 I HA 0.409 5.914 4.170 2.225 0.000 0.303 73 I C 0.031 176.236 176.117 0.147 0.000 1.044 73 I CA -0.045 61.319 61.300 0.105 0.000 1.266 73 I CB 0.926 39.012 38.000 0.142 0.000 1.447 73 I HN 0.413 nan 8.210 nan 0.000 0.593 74 I N 2.844 123.510 120.570 0.160 0.000 2.512 74 I HA 0.206 5.711 4.170 2.225 0.000 0.287 74 I C -0.379 175.852 176.117 0.190 0.000 1.069 74 I CA -0.571 60.821 61.300 0.153 0.000 1.056 74 I CB 1.469 39.505 38.000 0.061 0.000 1.229 74 I HN 0.607 nan 8.210 nan 0.000 0.429 75 N N 5.723 124.567 118.700 0.239 0.000 2.497 75 N HA -0.020 6.055 4.740 2.225 0.000 0.268 75 N C 0.489 176.129 175.510 0.218 0.000 1.171 75 N CA 0.355 53.547 53.050 0.237 0.000 0.948 75 N CB 0.814 39.425 38.487 0.208 0.000 1.069 75 N HN 0.806 nan 8.380 nan 0.000 0.460 76 D N 1.562 122.066 120.400 0.174 0.000 3.124 76 D HA -0.318 5.657 4.640 2.225 0.000 0.179 76 D C -0.096 176.264 176.300 0.099 0.000 1.704 76 D CA 1.640 55.716 54.000 0.127 0.000 1.519 76 D CB -0.761 40.109 40.800 0.118 0.000 1.159 76 D HN 0.587 nan 8.370 nan 0.000 0.565 77 R N 0.892 121.457 120.500 0.109 0.000 2.308 77 R HA 0.429 6.104 4.340 2.225 0.000 0.325 77 R C 1.740 178.032 176.300 -0.013 0.000 1.161 77 R CA 0.174 56.302 56.100 0.046 0.000 1.022 77 R CB 0.375 30.706 30.300 0.051 0.000 1.091 77 R HN 0.576 nan 8.270 nan 0.000 0.497 78 I N 1.025 121.596 120.570 0.002 0.000 2.286 78 I HA -0.163 5.342 4.170 2.225 0.000 0.245 78 I C 1.207 177.309 176.117 -0.025 0.000 1.104 78 I CA 1.380 62.676 61.300 -0.005 0.000 1.397 78 I CB -0.099 37.903 38.000 0.003 0.000 1.072 78 I HN 0.456 nan 8.210 nan 0.000 0.417 79 D N 2.324 122.708 120.400 -0.027 0.000 2.103 79 D HA -0.237 5.738 4.640 2.225 0.000 0.190 79 D C 2.046 178.304 176.300 -0.069 0.000 0.997 79 D CA 2.236 56.215 54.000 -0.035 0.000 0.833 79 D CB -1.325 39.462 40.800 -0.022 0.000 0.961 79 D HN 0.331 nan 8.370 nan 0.000 0.447 80 V N 1.125 120.962 119.914 -0.128 0.000 2.370 80 V HA -0.276 5.179 4.120 2.225 0.000 0.252 80 V C 2.784 178.776 176.094 -0.170 0.000 1.068 80 V CA 2.086 64.251 62.300 -0.226 0.000 1.061 80 V CB -1.267 30.243 31.823 -0.522 0.000 0.656 80 V HN 0.493 nan 8.190 nan 0.000 0.455 81 A N 0.383 123.133 122.820 -0.116 0.000 1.835 81 A HA -0.239 5.416 4.320 2.225 0.000 0.215 81 A C 2.260 179.832 177.584 -0.020 0.000 1.199 81 A CA 2.408 54.414 52.037 -0.050 0.000 0.615 81 A CB -0.525 18.469 19.000 -0.009 0.000 0.838 81 A HN 0.522 nan 8.150 nan 0.000 0.444 82 M N -0.160 119.431 119.600 -0.015 0.000 2.108 82 M HA -0.136 5.679 4.480 2.225 0.000 0.261 82 M C 2.482 178.777 176.300 -0.009 0.000 1.066 82 M CA 1.534 56.832 55.300 -0.003 0.000 1.107 82 M CB -0.816 31.782 32.600 -0.004 0.000 1.356 82 M HN 0.430 nan 8.290 nan 0.000 0.406 83 A N 1.845 124.649 122.820 -0.027 0.000 1.869 83 A HA -0.191 5.464 4.320 2.225 0.000 0.218 83 A C 2.053 179.623 177.584 -0.023 0.000 1.203 83 A CA 2.317 54.336 52.037 -0.029 0.000 0.638 83 A CB -1.118 17.852 19.000 -0.049 0.000 0.831 83 A HN 0.744 nan 8.150 nan 0.000 0.450 84 I N -3.758 116.792 120.570 -0.033 0.000 3.861 84 I HA 0.517 6.022 4.170 2.225 0.000 0.329 84 I C 0.927 177.048 176.117 0.007 0.000 1.321 84 I CA 0.404 61.691 61.300 -0.021 0.000 1.126 84 I CB -0.466 37.510 38.000 -0.041 0.000 1.018 84 I HN 0.450 nan 8.210 nan 0.000 0.407 85 G N 1.911 110.723 108.800 0.020 0.000 2.359 85 G HA2 -0.142 5.153 3.960 2.225 0.000 0.298 85 G HA3 -0.142 5.153 3.960 2.225 0.000 0.298 85 G C 0.283 175.234 174.900 0.084 0.000 1.030 85 G CA 0.136 45.267 45.100 0.051 0.000 1.149 85 G HN 0.989 nan 8.290 nan 0.000 0.512 86 A N -0.150 122.714 122.820 0.073 0.000 2.351 86 A HA 0.628 6.283 4.320 2.225 0.000 0.257 86 A C 1.231 178.917 177.584 0.168 0.000 1.087 86 A CA 0.340 52.438 52.037 0.102 0.000 0.798 86 A CB 0.507 19.546 19.000 0.065 0.000 1.033 86 A HN 0.306 nan 8.150 nan 0.000 0.488 87 D N 0.325 120.866 120.400 0.235 0.000 2.234 87 D HA 0.236 6.211 4.640 2.225 0.000 0.205 87 D C 0.872 177.366 176.300 0.323 0.000 0.962 87 D CA 1.772 55.978 54.000 0.342 0.000 0.855 87 D CB 0.309 41.408 40.800 0.499 0.000 0.951 87 D HN 0.776 nan 8.370 nan 0.000 0.500 88 G N 0.147 109.071 108.800 0.206 0.000 2.506 88 G HA2 0.500 5.795 3.960 2.225 0.000 0.292 88 G HA3 0.500 5.795 3.960 2.225 0.000 0.292 88 G C -1.762 173.220 174.900 0.137 0.000 1.425 88 G CA -0.733 44.468 45.100 0.168 0.000 0.788 88 G HN 0.119 nan 8.290 nan 0.000 0.490 89 I N -2.241 118.409 120.570 0.133 0.000 2.769 89 I HA 0.824 6.329 4.170 2.225 0.000 0.298 89 I C -1.311 174.901 176.117 0.158 0.000 1.128 89 I CA -1.173 60.211 61.300 0.140 0.000 1.031 89 I CB 2.592 40.643 38.000 0.085 0.000 1.235 89 I HN 0.667 nan 8.210 nan 0.000 0.423 90 H N 5.095 124.233 119.070 0.112 0.000 2.505 90 H HA 0.780 6.671 4.556 2.226 0.000 0.338 90 H C -1.142 174.243 175.328 0.096 0.000 1.057 90 H CA -0.535 55.571 56.048 0.097 0.000 1.202 90 H CB 1.679 31.559 29.762 0.197 0.000 1.466 90 H HN 0.703 nan 8.280 nan 0.000 0.499 91 V N 2.748 122.547 119.914 -0.193 0.000 2.960 91 V HA 0.886 6.341 4.120 2.225 0.000 0.315 91 V C 0.516 176.569 176.094 -0.067 0.000 1.087 91 V CA -0.211 62.074 62.300 -0.025 0.000 0.982 91 V CB 1.568 33.410 31.823 0.032 0.000 1.039 91 V HN 0.851 nan 8.190 nan 0.000 0.437 92 G N 0.309 109.121 108.800 0.019 0.000 2.543 92 G HA2 0.408 5.703 3.960 2.225 0.000 0.267 92 G HA3 0.408 5.703 3.960 2.225 0.000 0.267 92 G C 0.141 175.014 174.900 -0.045 0.000 1.406 92 G CA 0.098 45.168 45.100 -0.049 0.000 1.048 92 G HN 0.806 nan 8.290 nan 0.000 0.548 93 Q N -1.528 118.182 119.800 -0.150 0.000 2.269 93 Q HA 0.070 5.745 4.340 2.225 0.000 0.201 93 Q C 1.078 177.069 176.000 -0.014 0.000 0.946 93 Q CA 1.283 57.000 55.803 -0.143 0.000 0.877 93 Q CB 0.198 28.769 28.738 -0.278 0.000 0.963 93 Q HN 0.499 nan 8.270 nan 0.000 0.472 94 D N 0.040 120.430 120.400 -0.017 0.000 2.395 94 D HA 0.072 6.047 4.640 2.225 0.000 0.213 94 D C -0.568 175.748 176.300 0.026 0.000 1.110 94 D CA 0.032 54.033 54.000 0.003 0.000 0.835 94 D CB 0.395 41.187 40.800 -0.015 0.000 0.965 94 D HN 0.178 nan 8.370 nan 0.000 0.505 95 D N -0.270 120.157 120.400 0.046 0.000 2.496 95 D HA 0.127 6.102 4.640 2.225 0.000 0.283 95 D C 0.425 176.762 176.300 0.060 0.000 1.214 95 D CA -0.552 53.480 54.000 0.054 0.000 1.089 95 D CB 0.317 41.154 40.800 0.061 0.000 1.141 95 D HN -0.016 nan 8.370 nan 0.000 0.580 96 M N 1.107 120.736 119.600 0.047 0.000 2.219 96 M HA 0.194 6.009 4.480 2.225 0.000 0.353 96 M C -2.316 173.996 176.300 0.021 0.000 1.304 96 M CA -1.019 54.298 55.300 0.029 0.000 1.115 96 M CB 0.769 33.377 32.600 0.014 0.000 1.664 96 M HN -0.104 nan 8.290 nan 0.000 0.459 97 P HA -0.155 nan 4.420 nan 0.000 0.265 97 P C 0.519 177.769 177.300 -0.083 0.000 1.167 97 P CA 0.197 63.288 63.100 -0.016 0.000 0.760 97 P CB 0.264 31.954 31.700 -0.016 0.000 0.783 98 I N 5.189 125.649 120.570 -0.184 0.000 2.252 98 I HA -0.105 5.400 4.170 2.225 0.000 0.245 98 I C -0.555 175.451 176.117 -0.184 0.000 1.102 98 I CA 1.598 62.734 61.300 -0.273 0.000 1.385 98 I CB -2.538 35.130 38.000 -0.554 0.000 1.064 98 I HN 0.382 nan 8.210 nan 0.000 0.414 99 P HA -0.244 nan 4.420 nan 0.000 0.216 99 P C 2.031 179.285 177.300 -0.077 0.000 1.167 99 P CA 1.919 64.957 63.100 -0.104 0.000 0.914 99 P CB -0.146 31.505 31.700 -0.081 0.000 0.793 100 M N -1.334 118.229 119.600 -0.062 0.000 2.106 100 M HA -0.160 5.655 4.480 2.225 0.000 0.259 100 M C 2.319 178.592 176.300 -0.044 0.000 1.068 100 M CA 1.755 57.029 55.300 -0.044 0.000 1.100 100 M CB -0.620 31.962 32.600 -0.030 0.000 1.351 100 M HN -0.136 nan 8.290 nan 0.000 0.404 101 I N -0.933 119.602 120.570 -0.059 0.000 2.226 101 I HA -0.270 5.235 4.170 2.225 0.000 0.245 101 I C 2.478 178.566 176.117 -0.049 0.000 1.100 101 I CA 1.199 62.467 61.300 -0.052 0.000 1.374 101 I CB -0.700 37.257 38.000 -0.071 0.000 1.057 101 I HN 0.274 nan 8.210 nan 0.000 0.413 102 R N 1.786 122.247 120.500 -0.066 0.000 2.148 102 R HA -0.123 5.552 4.340 2.225 0.000 0.223 102 R C 2.085 178.360 176.300 -0.042 0.000 1.088 102 R CA 1.286 57.353 56.100 -0.055 0.000 0.985 102 R CB -0.388 29.866 30.300 -0.076 0.000 0.880 102 R HN 0.187 nan 8.270 nan 0.000 0.451 103 K N -0.220 120.154 120.400 -0.043 0.000 2.362 103 K HA -0.024 5.631 4.320 2.225 0.000 0.200 103 K C 0.363 176.949 176.600 -0.023 0.000 1.046 103 K CA 1.010 57.277 56.287 -0.033 0.000 0.952 103 K CB 0.136 32.616 32.500 -0.033 0.000 0.753 103 K HN 0.248 nan 8.250 nan 0.000 0.466 104 L N -0.279 120.932 121.223 -0.021 0.000 3.122 104 L HA 0.145 5.819 4.340 2.225 0.000 0.274 104 L C 0.514 177.380 176.870 -0.007 0.000 1.222 104 L CA -0.490 54.342 54.840 -0.013 0.000 1.028 104 L CB 1.254 43.306 42.059 -0.011 0.000 1.386 104 L HN -0.058 nan 8.230 nan 0.000 0.578 105 V N -5.334 114.576 119.914 -0.007 0.000 3.110 105 V HA 0.715 6.170 4.120 2.225 0.000 0.233 105 V C 0.857 176.954 176.094 0.006 0.000 1.550 105 V CA 0.137 62.440 62.300 0.004 0.000 1.186 105 V CB -0.031 31.798 31.823 0.011 0.000 1.052 105 V HN 0.320 nan 8.190 nan 0.000 0.452 110 V N 4.793 124.875 119.914 0.280 0.000 2.539 110 V HA 0.672 6.127 4.120 2.225 0.000 0.292 110 V C -0.802 175.390 176.094 0.163 0.000 1.045 110 V CA -0.455 62.017 62.300 0.286 0.000 0.945 110 V CB 1.647 33.753 31.823 0.471 0.000 0.993 110 V HN 0.766 nan 8.190 nan 0.000 0.464 111 I N 5.408 126.032 120.570 0.089 0.000 2.493 111 I HA 0.642 6.147 4.170 2.225 0.000 0.298 111 I C 0.679 176.656 176.117 -0.234 0.000 0.998 111 I CA -0.393 60.884 61.300 -0.038 0.000 1.137 111 I CB 1.903 39.845 38.000 -0.097 0.000 1.310 111 I HN 0.755 nan 8.210 nan 0.000 0.445 112 G N 3.768 112.317 108.800 -0.420 0.000 2.454 112 G HA2 0.531 5.826 3.960 2.225 0.000 0.329 112 G HA3 0.531 5.826 3.960 2.225 0.000 0.329 112 G C -2.334 172.204 174.900 -0.603 0.000 1.177 112 G CA -0.232 44.272 45.100 -0.994 0.000 0.951 112 G HN 0.512 nan 8.290 nan 0.000 0.485 113 W N 0.971 121.855 121.300 -0.693 0.000 2.830 113 W HA 0.528 6.526 4.660 2.229 0.000 0.335 113 W C -0.265 176.108 176.519 -0.242 0.000 1.043 113 W CA -1.315 55.734 57.345 -0.494 0.000 1.239 113 W CB 1.946 31.246 29.460 -0.266 0.000 1.378 113 W HN 0.395 nan 8.180 nan 0.000 0.456 114 S N 3.598 119.113 115.700 -0.309 0.000 2.437 114 S HA 0.325 6.130 4.470 2.225 0.000 0.304 114 S C -0.191 174.130 174.600 -0.465 0.000 1.167 114 S CA -0.266 57.828 58.200 -0.176 0.000 1.106 114 S CB -0.259 62.896 63.200 -0.076 0.000 1.099 114 S HN 0.206 nan 8.310 nan 0.000 0.524 115 V N 2.680 122.406 119.914 -0.313 0.000 2.581 115 V HA 0.727 6.182 4.120 2.225 0.000 0.303 115 V C 1.101 177.046 176.094 -0.249 0.000 1.041 115 V CA -0.565 61.507 62.300 -0.380 0.000 0.907 115 V CB 1.799 33.469 31.823 -0.254 0.000 0.994 115 V HN 0.839 nan 8.190 nan 0.000 0.442 116 G N 2.082 110.703 108.800 -0.297 0.000 2.659 116 G HA2 0.365 5.660 3.960 2.225 0.000 0.197 116 G HA3 0.365 5.660 3.960 2.225 0.000 0.197 116 G C 0.123 175.194 174.900 0.286 0.000 1.099 116 G CA 0.074 45.073 45.100 -0.169 0.000 0.759 116 G HN 0.461 nan 8.290 nan 0.000 0.715 117 F N -0.304 119.576 119.950 -0.115 0.000 2.631 117 F HA 0.379 6.236 4.527 2.218 0.000 0.328 117 F C -1.730 174.030 175.800 -0.067 0.000 1.067 117 F CA -2.551 55.401 58.000 -0.079 0.000 0.969 117 F CB 2.311 41.270 39.000 -0.069 0.000 1.332 117 F HN -0.214 nan 8.300 nan 0.000 0.490 118 P HA -0.024 nan 4.420 nan 0.000 0.224 118 P C 0.717 178.066 177.300 0.082 0.000 1.157 118 P CA 1.075 64.222 63.100 0.077 0.000 0.799 118 P CB 0.221 31.946 31.700 0.042 0.000 0.809 119 E N 0.531 120.795 120.200 0.106 0.000 2.114 119 E HA -0.232 5.453 4.350 2.225 0.000 0.199 119 E C 1.839 178.493 176.600 0.089 0.000 1.008 119 E CA 1.524 57.980 56.400 0.093 0.000 0.810 119 E CB -0.711 29.054 29.700 0.108 0.000 0.739 119 E HN 0.445 nan 8.360 nan 0.000 0.456 120 E N -0.254 119.977 120.200 0.053 0.000 2.106 120 E HA -0.115 5.570 4.350 2.225 0.000 0.192 120 E C 2.035 178.732 176.600 0.161 0.000 0.984 120 E CA 1.072 57.485 56.400 0.022 0.000 0.806 120 E CB 0.089 29.625 29.700 -0.273 0.000 0.750 120 E HN 0.094 nan 8.360 nan 0.000 0.458 121 V N 1.782 121.756 119.914 0.100 0.000 2.427 121 V HA -0.227 5.228 4.120 2.225 0.000 0.248 121 V C 1.654 177.818 176.094 0.116 0.000 1.051 121 V CA 1.705 64.070 62.300 0.109 0.000 1.048 121 V CB -0.431 31.418 31.823 0.042 0.000 0.666 121 V HN 0.187 nan 8.190 nan 0.000 0.456 122 D N 0.093 120.555 120.400 0.102 0.000 2.097 122 D HA -0.166 5.809 4.640 2.225 0.000 0.195 122 D C 2.244 178.617 176.300 0.123 0.000 0.989 122 D CA 1.371 55.429 54.000 0.096 0.000 0.827 122 D CB -0.097 40.749 40.800 0.077 0.000 0.966 122 D HN 0.536 nan 8.370 nan 0.000 0.456 123 E N 0.350 120.643 120.200 0.156 0.000 2.038 123 E HA -0.149 5.536 4.350 2.225 0.000 0.195 123 E C 2.305 178.998 176.600 0.154 0.000 1.000 123 E CA 0.311 56.810 56.400 0.165 0.000 0.803 123 E CB -0.219 29.628 29.700 0.244 0.000 0.750 123 E HN 0.188 nan 8.360 nan 0.000 0.448 124 L N 0.762 122.131 121.223 0.243 0.000 2.129 124 L HA -0.248 5.427 4.340 2.225 0.000 0.212 124 L C 2.097 179.095 176.870 0.214 0.000 1.087 124 L CA 1.304 56.253 54.840 0.181 0.000 0.757 124 L CB -0.060 42.189 42.059 0.317 0.000 0.896 124 L HN 0.061 nan 8.230 nan 0.000 0.434 125 S N -0.144 115.677 115.700 0.201 0.000 2.336 125 S HA -0.069 5.736 4.470 2.225 0.000 0.216 125 S C 1.887 176.622 174.600 0.224 0.000 1.032 125 S CA 1.250 59.606 58.200 0.259 0.000 0.973 125 S CB -0.398 62.897 63.200 0.157 0.000 0.888 125 S HN 0.543 nan 8.310 nan 0.000 0.455 126 K N 0.934 121.414 120.400 0.132 0.000 2.942 126 K HA 0.247 5.902 4.320 2.225 0.000 0.249 126 K C 1.003 177.631 176.600 0.046 0.000 0.911 126 K CA 0.655 56.991 56.287 0.080 0.000 1.100 126 K CB -1.294 31.243 32.500 0.061 0.000 0.952 126 K HN 0.484 nan 8.250 nan 0.000 0.467 127 M N -1.735 117.900 119.600 0.057 0.000 2.279 127 M HA 0.238 6.053 4.480 2.225 0.000 0.278 127 M C 1.195 177.436 176.300 -0.099 0.000 1.142 127 M CA 0.689 55.976 55.300 -0.021 0.000 1.119 127 M CB 1.114 33.688 32.600 -0.044 0.000 1.741 127 M HN 0.625 nan 8.290 nan 0.000 0.601 128 G N 1.769 110.507 108.800 -0.103 0.000 2.698 128 G HA2 -0.185 5.110 3.960 2.225 0.000 0.233 128 G HA3 -0.185 5.110 3.960 2.225 0.000 0.233 128 G C -3.097 171.201 174.900 -1.003 0.000 1.352 128 G CA -0.977 43.779 45.100 -0.575 0.000 0.879 128 G HN 0.161 nan 8.290 nan 0.000 0.567 133 D N 2.438 122.922 120.400 0.138 0.000 2.354 133 D HA 0.164 6.139 4.640 2.225 0.000 0.209 133 D C -0.073 176.389 176.300 0.270 0.000 1.015 133 D CA 1.226 55.386 54.000 0.265 0.000 0.867 133 D CB 0.745 41.738 40.800 0.322 0.000 0.933 133 D HN 0.732 nan 8.370 nan 0.000 0.520 134 Y N -0.474 119.872 120.300 0.076 0.000 2.527 134 Y HA 0.340 6.223 4.550 2.222 0.000 0.328 134 Y C -1.970 173.986 175.900 0.092 0.000 1.216 134 Y CA -1.878 56.212 58.100 -0.017 0.000 1.152 134 Y CB -0.085 38.281 38.460 -0.157 0.000 1.342 134 Y HN -0.171 nan 8.280 nan 0.000 0.465 135 I N 1.388 122.084 120.570 0.210 0.000 2.441 135 I HA 1.002 6.507 4.170 2.225 0.000 0.295 135 I C 0.196 176.495 176.117 0.302 0.000 0.994 135 I CA -1.042 60.371 61.300 0.189 0.000 1.144 135 I CB 2.215 40.276 38.000 0.102 0.000 1.314 135 I HN 1.029 nan 8.210 nan 0.000 0.445 136 G N 4.972 113.973 108.800 0.335 0.000 2.356 136 G HA2 0.515 5.810 3.960 2.225 0.000 0.298 136 G HA3 0.515 5.810 3.960 2.225 0.000 0.298 136 G C -0.552 174.390 174.900 0.070 0.000 1.145 136 G CA -0.553 44.681 45.100 0.222 0.000 0.850 136 G HN 0.528 nan 8.290 nan 0.000 0.487 137 V N 3.458 123.379 119.914 0.012 0.000 2.353 137 V HA 0.530 5.985 4.120 2.225 0.000 0.264 137 V C 1.369 177.423 176.094 -0.066 0.000 1.049 137 V CA 0.634 62.914 62.300 -0.034 0.000 0.896 137 V CB -0.001 31.796 31.823 -0.042 0.000 1.025 137 V HN 1.404 nan 8.190 nan 0.000 0.475 138 G N 5.712 114.470 108.800 -0.071 0.000 2.561 138 G HA2 -0.248 5.047 3.960 2.225 0.000 0.360 138 G HA3 -0.248 5.047 3.960 2.225 0.000 0.360 138 G C 0.164 175.018 174.900 -0.076 0.000 1.328 138 G CA 0.203 45.260 45.100 -0.072 0.000 0.918 138 G HN 0.763 nan 8.290 nan 0.000 0.542 139 T N 1.280 115.800 114.554 -0.057 0.000 2.781 139 T HA 0.441 6.126 4.350 2.225 0.000 0.305 139 T C 1.439 176.079 174.700 -0.100 0.000 1.001 139 T CA -0.579 61.485 62.100 -0.060 0.000 0.950 139 T CB 1.391 70.247 68.868 -0.020 0.000 0.955 139 T HN 0.457 nan 8.240 nan 0.000 0.471 140 L N 2.281 123.381 121.223 -0.206 0.000 2.027 140 L HA 0.232 5.907 4.340 2.225 0.000 0.206 140 L C 0.142 176.706 176.870 -0.509 0.000 1.074 140 L CA 1.782 56.341 54.840 -0.469 0.000 0.745 140 L CB -0.448 41.187 42.059 -0.707 0.000 0.898 140 L HN 0.520 nan 8.230 nan 0.000 0.433 141 F N -2.166 117.796 119.950 0.019 0.000 2.603 141 F HA 0.495 5.018 4.527 -0.007 0.000 0.317 141 F C -2.118 173.708 175.800 0.043 0.000 1.066 141 F CA -3.511 54.515 58.000 0.044 0.000 0.941 141 F CB 0.200 39.232 39.000 0.053 0.000 1.291 141 F HN -0.307 nan 8.300 nan 0.000 0.472 142 P HA 0.208 nan 4.420 nan 0.000 0.268 142 P C -0.621 176.760 177.300 0.135 0.000 1.205 142 P CA 0.143 63.337 63.100 0.157 0.000 0.771 142 P CB 0.684 32.463 31.700 0.131 0.000 0.858 143 T N 2.192 116.801 114.554 0.090 0.000 3.105 143 T HA 0.329 6.014 4.350 2.225 0.000 0.321 143 T C 0.495 175.222 174.700 0.045 0.000 1.135 143 T CA -0.505 61.640 62.100 0.076 0.000 1.053 143 T CB 0.406 69.318 68.868 0.074 0.000 1.133 143 T HN 0.077 nan 8.240 nan 0.000 0.463 144 L N 2.961 124.206 121.223 0.037 0.000 2.591 144 L HA 0.356 6.031 4.340 2.225 0.000 0.228 144 L C 2.087 178.965 176.870 0.014 0.000 1.133 144 L CA 0.698 55.550 54.840 0.021 0.000 0.880 144 L CB -1.779 40.288 42.059 0.014 0.000 1.033 144 L HN 0.525 nan 8.230 nan 0.000 0.450 145 T N -0.753 113.812 114.554 0.019 0.000 2.915 145 T HA -0.099 5.586 4.350 2.225 0.000 0.269 145 T C 1.047 175.744 174.700 -0.005 0.000 1.071 145 T CA 1.063 63.167 62.100 0.006 0.000 1.132 145 T CB -0.156 68.715 68.868 0.005 0.000 0.878 145 T HN 0.155 nan 8.240 nan 0.000 0.479 146 K N 2.769 123.167 120.400 -0.002 0.000 2.206 146 K HA 0.190 5.845 4.320 2.225 0.000 0.268 146 K C -0.297 176.300 176.600 -0.006 0.000 1.111 146 K CA -0.253 56.029 56.287 -0.009 0.000 0.955 146 K CB 0.065 32.559 32.500 -0.010 0.000 1.406 146 K HN -0.011 nan 8.250 nan 0.000 0.427 147 K N 2.830 123.225 120.400 -0.009 0.000 2.382 147 K HA 0.039 5.694 4.320 2.225 0.000 0.286 147 K C -0.396 176.199 176.600 -0.008 0.000 1.062 147 K CA 1.195 57.477 56.287 -0.008 0.000 1.000 147 K CB -0.655 31.837 32.500 -0.013 0.000 0.954 147 K HN 0.888 nan 8.250 nan 0.000 0.470 148 N N 2.959 121.656 118.700 -0.004 0.000 2.729 148 N HA -0.090 5.985 4.740 2.225 0.000 0.259 148 N C -2.394 173.112 175.510 -0.006 0.000 1.119 148 N CA 0.195 53.242 53.050 -0.004 0.000 0.679 148 N CB -1.988 36.496 38.487 -0.006 0.000 0.892 148 N HN 0.521 nan 8.380 nan 0.000 0.558 149 P HA 0.584 nan 4.420 nan 0.000 0.279 149 P C 0.834 178.128 177.300 -0.011 0.000 1.239 149 P CA 0.606 63.700 63.100 -0.009 0.000 0.789 149 P CB 1.364 33.063 31.700 -0.001 0.000 0.933 150 K N 2.405 122.789 120.400 -0.026 0.000 2.308 150 K HA 0.082 5.737 4.320 2.225 0.000 0.197 150 K C 1.330 177.911 176.600 -0.032 0.000 1.049 150 K CA 0.904 57.171 56.287 -0.033 0.000 0.991 150 K CB -0.227 32.239 32.500 -0.057 0.000 0.836 150 K HN 0.461 nan 8.250 nan 0.000 0.500 151 K N -1.177 119.202 120.400 -0.036 0.000 2.772 151 K HA 0.746 6.401 4.320 2.225 0.000 0.312 151 K C -0.509 176.115 176.600 0.040 0.000 0.981 151 K CA -0.100 56.182 56.287 -0.008 0.000 1.289 151 K CB 1.265 33.733 32.500 -0.052 0.000 1.516 151 K HN 0.360 nan 8.250 nan 0.000 0.674 152 A N 0.958 123.818 122.820 0.066 0.000 2.560 152 A HA 0.354 6.009 4.320 2.225 0.000 0.300 152 A C -2.849 174.774 177.584 0.066 0.000 1.062 152 A CA -1.220 50.855 52.037 0.064 0.000 0.767 152 A CB 0.717 19.758 19.000 0.068 0.000 1.288 152 A HN 0.301 nan 8.150 nan 0.000 0.396 153 P HA 0.045 nan 4.420 nan 0.000 0.255 153 P C 0.822 178.150 177.300 0.048 0.000 1.173 153 P CA 0.307 63.444 63.100 0.061 0.000 0.780 153 P CB 0.260 32.026 31.700 0.109 0.000 0.758 154 M N 2.610 122.219 119.600 0.016 0.000 2.516 154 M HA 0.216 6.031 4.480 2.225 0.000 0.259 154 M C 0.722 177.009 176.300 -0.022 0.000 1.146 154 M CA 1.026 56.331 55.300 0.010 0.000 1.122 154 M CB 0.044 32.666 32.600 0.036 0.000 1.341 154 M HN 0.426 nan 8.290 nan 0.000 0.478 155 G N 1.162 109.916 108.800 -0.077 0.000 2.829 155 G HA2 -0.288 5.007 3.960 2.225 0.000 0.628 155 G HA3 -0.288 5.007 3.960 2.225 0.000 0.628 155 G C 0.258 175.077 174.900 -0.136 0.000 1.412 155 G CA 0.039 45.079 45.100 -0.101 0.000 0.864 155 G HN 0.532 nan 8.290 nan 0.000 0.544 156 T N -0.728 113.756 114.554 -0.116 0.000 2.635 156 T HA -0.011 5.674 4.350 2.225 0.000 0.267 156 T C 2.832 177.486 174.700 -0.076 0.000 1.040 156 T CA 3.309 65.348 62.100 -0.102 0.000 1.156 156 T CB -0.873 67.969 68.868 -0.043 0.000 0.863 156 T HN 2.180 nan 8.240 nan 0.000 0.430 157 A N 2.239 125.049 122.820 -0.018 0.000 1.896 157 A HA -0.022 5.633 4.320 2.225 0.000 0.220 157 A C 2.777 180.335 177.584 -0.044 0.000 1.206 157 A CA 2.325 54.345 52.037 -0.029 0.000 0.647 157 A CB -1.742 17.315 19.000 0.095 0.000 0.828 157 A HN 0.668 nan 8.150 nan 0.000 0.455 158 G N -1.417 107.363 108.800 -0.032 0.000 2.443 158 G HA2 0.101 5.396 3.960 2.225 0.000 0.219 158 G HA3 0.101 5.396 3.960 2.225 0.000 0.219 158 G C 1.598 176.478 174.900 -0.034 0.000 1.131 158 G CA 1.316 46.396 45.100 -0.033 0.000 0.775 158 G HN 0.878 nan 8.290 nan 0.000 0.547 159 A N 0.645 123.429 122.820 -0.060 0.000 1.930 159 A HA 0.210 5.865 4.320 2.225 0.000 0.215 159 A C 2.324 179.871 177.584 -0.062 0.000 1.176 159 A CA 0.648 52.646 52.037 -0.065 0.000 0.632 159 A CB -0.188 18.753 19.000 -0.099 0.000 0.819 159 A HN 0.302 nan 8.150 nan 0.000 0.445 160 I N -0.787 119.737 120.570 -0.078 0.000 2.099 160 I HA -0.278 5.227 4.170 2.225 0.000 0.239 160 I C 2.644 178.729 176.117 -0.053 0.000 1.066 160 I CA 1.892 63.145 61.300 -0.078 0.000 1.324 160 I CB -0.692 37.238 38.000 -0.117 0.000 1.037 160 I HN 0.361 nan 8.210 nan 0.000 0.401 161 R N 0.418 120.888 120.500 -0.050 0.000 2.165 161 R HA -0.227 5.448 4.340 2.225 0.000 0.254 161 R C 2.214 178.502 176.300 -0.020 0.000 1.153 161 R CA 1.989 58.069 56.100 -0.033 0.000 0.971 161 R CB -0.327 29.952 30.300 -0.035 0.000 0.878 161 R HN 0.211 nan 8.270 nan 0.000 0.449 162 V N 0.308 120.212 119.914 -0.016 0.000 2.407 162 V HA -0.167 5.288 4.120 2.225 0.000 0.245 162 V C 2.153 178.233 176.094 -0.023 0.000 1.041 162 V CA 1.426 63.721 62.300 -0.008 0.000 1.040 162 V CB -0.274 31.547 31.823 -0.004 0.000 0.671 162 V HN 0.375 nan 8.190 nan 0.000 0.455 163 L N -0.086 121.118 121.223 -0.032 0.000 2.349 163 L HA -0.206 5.469 4.340 2.225 0.000 0.220 163 L C 1.847 178.699 176.870 -0.030 0.000 1.130 163 L CA 1.450 56.268 54.840 -0.035 0.000 0.791 163 L CB -0.447 41.589 42.059 -0.037 0.000 0.918 163 L HN 0.418 nan 8.230 nan 0.000 0.444 164 D N -0.756 119.629 120.400 -0.024 0.000 2.305 164 D HA 0.016 5.991 4.640 2.225 0.000 0.206 164 D C 2.078 178.368 176.300 -0.017 0.000 0.974 164 D CA 0.837 54.826 54.000 -0.019 0.000 0.871 164 D CB 0.311 41.101 40.800 -0.017 0.000 0.947 164 D HN 0.201 nan 8.370 nan 0.000 0.516 165 A N 0.078 122.889 122.820 -0.016 0.000 2.016 165 A HA 0.029 5.684 4.320 2.225 0.000 0.217 165 A C 1.903 179.472 177.584 -0.025 0.000 1.162 165 A CA 0.424 52.455 52.037 -0.010 0.000 0.662 165 A CB -0.450 18.552 19.000 0.004 0.000 0.812 165 A HN 0.219 nan 8.150 nan 0.000 0.450 166 L N -0.429 120.767 121.223 -0.045 0.000 2.610 166 L HA -0.019 5.656 4.340 2.225 0.000 0.232 166 L C 1.600 178.426 176.870 -0.073 0.000 1.149 166 L CA 0.405 55.194 54.840 -0.085 0.000 0.872 166 L CB -0.027 41.971 42.059 -0.103 0.000 0.992 166 L HN 0.410 nan 8.230 nan 0.000 0.447 167 E N -0.913 119.264 120.200 -0.039 0.000 2.406 167 E HA -0.018 5.667 4.350 2.225 0.000 0.204 167 E C 1.705 178.299 176.600 -0.009 0.000 0.820 167 E CA -0.058 56.328 56.400 -0.023 0.000 1.136 167 E CB -0.041 29.648 29.700 -0.018 0.000 1.129 167 E HN 0.266 nan 8.360 nan 0.000 0.530 168 R N 1.415 121.911 120.500 -0.007 0.000 2.355 168 R HA -0.053 5.622 4.340 2.225 0.000 0.219 168 R C 0.339 176.648 176.300 0.014 0.000 1.107 168 R CA 1.135 57.237 56.100 0.003 0.000 1.021 168 R CB 0.026 30.328 30.300 0.003 0.000 0.852 168 R HN -0.015 nan 8.270 nan 0.000 0.475 169 N N -0.105 118.600 118.700 0.009 0.000 2.159 169 N HA -0.011 6.064 4.740 2.225 0.000 0.217 169 N C -0.997 174.537 175.510 0.040 0.000 1.223 169 N CA -0.125 52.943 53.050 0.029 0.000 0.896 169 N CB 0.528 39.030 38.487 0.024 0.000 1.064 169 N HN 0.118 nan 8.380 nan 0.000 0.518 170 N N 1.321 120.033 118.700 0.019 0.000 2.584 170 N HA -0.241 5.834 4.740 2.225 0.000 0.291 170 N C -0.931 174.596 175.510 0.029 0.000 1.203 170 N CA 0.679 53.756 53.050 0.045 0.000 0.735 170 N CB -0.782 37.761 38.487 0.093 0.000 0.936 170 N HN 0.304 nan 8.380 nan 0.000 0.549 171 A N 4.002 126.709 122.820 -0.189 0.000 3.154 171 A HA 0.181 5.836 4.320 2.225 0.000 0.310 171 A C 1.417 178.606 177.584 -0.660 0.000 1.093 171 A CA 0.047 51.639 52.037 -0.743 0.000 1.006 171 A CB -0.319 18.167 19.000 -0.857 0.000 1.084 171 A HN 0.747 nan 8.150 nan 0.000 0.549 172 H N -0.984 117.968 119.070 -0.198 0.000 2.460 172 H HA -0.243 5.648 4.556 2.225 0.000 0.297 172 H C 1.445 176.780 175.328 0.012 0.000 1.103 172 H CA 1.912 57.935 56.048 -0.042 0.000 1.292 172 H CB -0.486 29.327 29.762 0.085 0.000 1.376 172 H HN 0.891 nan 8.280 nan 0.000 0.531 173 W N 1.080 122.057 121.300 -0.538 0.000 2.678 173 W HA 0.238 6.236 4.660 2.229 0.000 0.256 173 W C 0.411 176.859 176.519 -0.118 0.000 1.280 173 W CA -0.597 56.525 57.345 -0.372 0.000 1.345 173 W CB -0.731 28.487 29.460 -0.404 0.000 1.118 173 W HN 0.141 nan 8.180 nan 0.000 0.629 174 C N 5.009 123.981 119.300 -0.547 0.000 2.325 174 C HA 0.479 6.274 4.460 2.225 0.000 0.347 174 C C 0.778 175.657 174.990 -0.185 0.000 1.263 174 C CA -1.081 57.723 59.018 -0.356 0.000 1.806 174 C CB -0.418 26.986 27.740 -0.560 0.000 2.405 174 C HN 0.191 nan 8.230 nan 0.000 0.537 175 R N 3.013 123.443 120.500 -0.116 0.000 2.541 175 R HA 0.644 6.319 4.340 2.225 0.000 0.263 175 R C 0.012 176.215 176.300 -0.161 0.000 1.112 175 R CA -0.116 55.857 56.100 -0.212 0.000 1.170 175 R CB 0.832 30.814 30.300 -0.532 0.000 1.167 175 R HN 0.852 nan 8.270 nan 0.000 0.582 176 T N -2.509 111.937 114.554 -0.180 0.000 2.971 176 T HA 0.521 6.206 4.350 2.225 0.000 0.304 176 T C -0.303 174.363 174.700 -0.056 0.000 1.038 176 T CA -0.918 61.141 62.100 -0.069 0.000 1.007 176 T CB 1.351 70.192 68.868 -0.047 0.000 1.055 176 T HN 0.339 nan 8.240 nan 0.000 0.451 177 V N 0.022 119.955 119.914 0.031 0.000 2.680 177 V HA 0.990 6.445 4.120 2.225 0.000 0.309 177 V C 0.567 176.674 176.094 0.021 0.000 1.052 177 V CA -0.926 61.409 62.300 0.058 0.000 0.908 177 V CB 1.475 33.401 31.823 0.171 0.000 1.001 177 V HN 1.267 nan 8.190 nan 0.000 0.431 178 G N 2.482 111.273 108.800 -0.014 0.000 2.377 178 G HA2 0.687 5.981 3.960 2.225 0.000 0.299 178 G HA3 0.687 5.981 3.960 2.225 0.000 0.299 178 G C -1.011 173.839 174.900 -0.084 0.000 1.150 178 G CA -0.524 44.539 45.100 -0.061 0.000 0.847 178 G HN 0.900 nan 8.290 nan 0.000 0.501 179 I N 0.475 120.979 120.570 -0.109 0.000 2.769 179 I HA 0.652 6.157 4.170 2.225 0.000 0.298 179 I C 0.031 176.076 176.117 -0.120 0.000 1.128 179 I CA -0.365 60.859 61.300 -0.126 0.000 1.031 179 I CB 2.199 40.115 38.000 -0.141 0.000 1.235 179 I HN 1.069 nan 8.210 nan 0.000 0.423 180 G N 4.306 113.046 108.800 -0.099 0.000 2.662 180 G HA2 0.338 5.633 3.960 2.225 0.000 0.558 180 G HA3 0.338 5.633 3.960 2.225 0.000 0.558 180 G C 0.382 175.307 174.900 0.041 0.000 1.081 180 G CA -0.339 44.733 45.100 -0.048 0.000 1.261 180 G HN 1.716 nan 8.290 nan 0.000 0.559 181 G N -0.531 108.296 108.800 0.044 0.000 2.141 181 G HA2 -0.043 5.251 3.960 2.225 0.000 0.231 181 G HA3 -0.043 5.251 3.960 2.225 0.000 0.231 181 G C 0.447 175.441 174.900 0.156 0.000 0.984 181 G CA 0.194 45.401 45.100 0.178 0.000 0.660 181 G HN 1.515 nan 8.290 nan 0.000 0.525 182 L N 1.976 123.174 121.223 -0.041 0.000 2.462 182 L HA 0.479 6.154 4.340 2.225 0.000 0.272 182 L C 0.799 177.446 176.870 -0.373 0.000 1.166 182 L CA 0.454 55.262 54.840 -0.053 0.000 0.880 182 L CB -0.219 41.796 42.059 -0.074 0.000 1.142 182 L HN 0.288 nan 8.230 nan 0.000 0.473 183 H N 3.769 122.856 119.070 0.028 0.000 2.960 183 H HA 0.284 6.163 4.556 2.204 0.000 0.338 183 H C -1.819 173.492 175.328 -0.029 0.000 1.261 183 H CA -1.515 54.526 56.048 -0.011 0.000 1.136 183 H CB 1.474 31.218 29.762 -0.029 0.000 1.875 183 H HN 0.161 nan 8.280 nan 0.000 0.550 184 P HA -0.116 nan 4.420 nan 0.000 0.226 184 P C 0.481 177.781 177.300 0.001 0.000 1.146 184 P CA 1.503 64.621 63.100 0.029 0.000 0.773 184 P CB -0.091 31.625 31.700 0.027 0.000 0.772 185 D N -1.765 118.641 120.400 0.012 0.000 2.328 185 D HA -0.045 5.930 4.640 2.225 0.000 0.226 185 D C 0.957 177.216 176.300 -0.068 0.000 1.066 185 D CA 0.085 54.063 54.000 -0.036 0.000 0.861 185 D CB -0.824 39.939 40.800 -0.063 0.000 0.912 185 D HN 0.311 nan 8.370 nan 0.000 0.521 186 N N -0.672 117.994 118.700 -0.056 0.000 1.872 186 N HA -0.010 6.065 4.740 2.225 0.000 0.223 186 N C 0.889 176.372 175.510 -0.044 0.000 1.424 186 N CA -0.225 52.790 53.050 -0.058 0.000 0.710 186 N CB -0.361 38.079 38.487 -0.078 0.000 1.074 186 N HN 0.046 nan 8.380 nan 0.000 0.544 187 I N 1.915 122.441 120.570 -0.074 0.000 2.286 187 I HA -0.194 5.311 4.170 2.225 0.000 0.248 187 I C 2.248 178.208 176.117 -0.262 0.000 1.115 187 I CA 1.603 62.842 61.300 -0.101 0.000 1.392 187 I CB 0.010 37.969 38.000 -0.069 0.000 1.065 187 I HN 0.238 nan 8.210 nan 0.000 0.418 188 E N 0.277 120.218 120.200 -0.432 0.000 2.047 188 E HA -0.268 5.417 4.350 2.225 0.000 0.191 188 E C 2.265 178.319 176.600 -0.910 0.000 0.987 188 E CA 1.098 56.973 56.400 -0.874 0.000 0.799 188 E CB -0.126 28.871 29.700 -1.171 0.000 0.752 188 E HN 0.308 nan 8.360 nan 0.000 0.449 189 R N 0.635 120.749 120.500 -0.644 0.000 2.096 189 R HA -0.142 5.533 4.340 2.225 0.000 0.235 189 R C 2.079 178.331 176.300 -0.080 0.000 1.127 189 R CA 1.246 57.216 56.100 -0.216 0.000 0.968 189 R CB -0.192 30.092 30.300 -0.027 0.000 0.861 189 R HN 0.046 nan 8.270 nan 0.000 0.440 190 V N 1.192 121.058 119.914 -0.081 0.000 2.270 190 V HA -0.230 5.225 4.120 2.225 0.000 0.245 190 V C 2.323 178.353 176.094 -0.106 0.000 1.043 190 V CA 1.376 63.641 62.300 -0.058 0.000 1.014 190 V CB -0.508 31.294 31.823 -0.035 0.000 0.645 190 V HN 0.285 nan 8.190 nan 0.000 0.447 191 L N -0.962 120.158 121.223 -0.172 0.000 2.079 191 L HA -0.211 5.464 4.340 2.225 0.000 0.210 191 L C 2.187 179.011 176.870 -0.077 0.000 1.081 191 L CA 2.014 56.768 54.840 -0.144 0.000 0.752 191 L CB -1.077 40.824 42.059 -0.264 0.000 0.896 191 L HN 0.487 nan 8.230 nan 0.000 0.433 192 Y N 0.131 120.231 120.300 -0.333 0.000 2.153 192 Y HA -0.263 5.610 4.550 2.205 0.000 0.289 192 Y C 2.503 178.341 175.900 -0.103 0.000 1.127 192 Y CA 1.689 59.698 58.100 -0.152 0.000 1.131 192 Y CB 0.155 38.536 38.460 -0.131 0.000 0.995 192 Y HN 0.362 nan 8.280 nan 0.000 0.505 193 Q N -1.405 118.282 119.800 -0.189 0.000 2.331 193 Q HA 0.031 5.706 4.340 2.225 0.000 0.203 193 Q C 0.711 176.559 176.000 -0.253 0.000 0.944 193 Q CA 0.422 56.033 55.803 -0.319 0.000 0.892 193 Q CB -0.098 28.516 28.738 -0.206 0.000 0.983 193 Q HN 0.263 nan 8.270 nan 0.000 0.482 194 C N 3.432 122.637 119.300 -0.157 0.000 2.485 194 C HA 0.340 6.134 4.460 2.225 0.000 0.408 194 C C 0.269 175.204 174.990 -0.091 0.000 1.034 194 C CA -0.823 58.123 59.018 -0.120 0.000 1.267 194 C CB -1.805 25.878 27.740 -0.094 0.000 1.703 194 C HN 0.255 nan 8.230 nan 0.000 0.530 195 V N 1.729 121.579 119.914 -0.106 0.000 2.888 195 V HA 0.728 6.183 4.120 2.225 0.000 0.309 195 V C 0.108 176.205 176.094 0.005 0.000 1.114 195 V CA -0.669 61.608 62.300 -0.039 0.000 0.940 195 V CB 1.325 33.124 31.823 -0.041 0.000 1.021 195 V HN 0.558 nan 8.190 nan 0.000 0.426 196 S N 2.067 117.791 115.700 0.039 0.000 2.587 196 S HA 0.156 5.961 4.470 2.225 0.000 0.260 196 S C 1.160 175.832 174.600 0.120 0.000 1.353 196 S CA 0.442 58.667 58.200 0.042 0.000 0.995 196 S CB 0.942 64.153 63.200 0.018 0.000 0.912 196 S HN 0.981 nan 8.310 nan 0.000 0.568 197 S N 1.385 117.130 115.700 0.075 0.000 2.447 197 S HA -0.091 5.714 4.470 2.225 0.000 0.233 197 S C 1.520 176.102 174.600 -0.030 0.000 1.006 197 S CA 1.249 59.503 58.200 0.089 0.000 0.957 197 S CB -0.797 62.417 63.200 0.024 0.000 0.773 197 S HN 0.924 nan 8.310 nan 0.000 0.507 198 N N 0.039 118.717 118.700 -0.037 0.000 2.336 198 N HA 0.241 6.316 4.740 2.225 0.000 0.189 198 N C 1.137 176.593 175.510 -0.091 0.000 1.113 198 N CA 0.747 53.739 53.050 -0.098 0.000 0.858 198 N CB -0.244 38.206 38.487 -0.061 0.000 0.970 198 N HN 0.223 nan 8.380 nan 0.000 0.471 199 G N -0.342 108.464 108.800 0.010 0.000 2.270 199 G HA2 -0.495 4.800 3.960 2.225 0.000 0.268 199 G HA3 -0.495 4.800 3.960 2.225 0.000 0.268 199 G C 1.371 176.302 174.900 0.052 0.000 0.982 199 G CA 1.193 46.349 45.100 0.094 0.000 0.628 199 G HN 0.784 nan 8.290 nan 0.000 0.544 200 K N 0.195 120.603 120.400 0.014 0.000 2.020 200 K HA 0.078 5.733 4.320 2.225 0.000 0.212 200 K C 1.532 178.146 176.600 0.023 0.000 1.050 200 K CA 2.096 58.390 56.287 0.012 0.000 0.929 200 K CB -0.264 32.235 32.500 -0.001 0.000 0.714 200 K HN 0.985 nan 8.250 nan 0.000 0.443 201 R N 0.346 120.859 120.500 0.022 0.000 2.514 201 R HA 0.414 6.089 4.340 2.225 0.000 0.301 201 R C -0.298 176.014 176.300 0.019 0.000 0.962 201 R CA 0.215 56.325 56.100 0.015 0.000 0.882 201 R CB 1.778 32.076 30.300 -0.003 0.000 1.143 201 R HN 0.522 nan 8.270 nan 0.000 0.452 202 S N 4.052 119.764 115.700 0.019 0.000 2.921 202 S HA 0.455 6.260 4.470 2.225 0.000 0.315 202 S C -0.153 174.449 174.600 0.003 0.000 1.087 202 S CA -0.957 57.251 58.200 0.014 0.000 0.877 202 S CB 0.631 63.853 63.200 0.037 0.000 1.340 202 S HN 0.512 nan 8.310 nan 0.000 0.622 203 L N 1.810 123.037 121.223 0.006 0.000 2.410 203 L HA 0.220 5.895 4.340 2.225 0.000 0.273 203 L C 0.581 177.461 176.870 0.017 0.000 1.144 203 L CA -0.081 54.760 54.840 0.001 0.000 0.863 203 L CB 0.401 42.458 42.059 -0.003 0.000 1.140 203 L HN 0.763 nan 8.230 nan 0.000 0.463 204 D N 2.549 122.947 120.400 -0.004 0.000 2.323 204 D HA 0.112 6.087 4.640 2.225 0.000 0.209 204 D C 0.692 177.030 176.300 0.065 0.000 0.973 204 D CA 0.483 54.490 54.000 0.011 0.000 0.874 204 D CB 0.941 41.701 40.800 -0.067 0.000 0.930 204 D HN 0.727 nan 8.370 nan 0.000 0.521 205 G N 0.011 108.848 108.800 0.062 0.000 2.489 205 G HA2 0.421 5.716 3.960 2.225 0.000 0.291 205 G HA3 0.421 5.716 3.960 2.225 0.000 0.291 205 G C -1.638 173.304 174.900 0.070 0.000 1.487 205 G CA -0.754 44.403 45.100 0.095 0.000 0.795 205 G HN -0.007 nan 8.290 nan 0.000 0.513 206 I N 0.130 120.737 120.570 0.062 0.000 2.412 206 I HA 0.466 5.971 4.170 2.225 0.000 0.296 206 I C -0.210 175.921 176.117 0.024 0.000 0.987 206 I CA -0.641 60.673 61.300 0.022 0.000 1.180 206 I CB 1.835 39.836 38.000 0.002 0.000 1.340 206 I HN 0.570 nan 8.210 nan 0.000 0.455 207 C N 8.563 127.840 119.300 -0.038 0.000 2.301 207 C HA 0.724 6.519 4.460 2.225 0.000 0.323 207 C C -0.011 174.885 174.990 -0.156 0.000 1.265 207 C CA -0.374 58.571 59.018 -0.121 0.000 1.503 207 C CB -0.233 27.354 27.740 -0.256 0.000 2.195 207 C HN 0.586 nan 8.230 nan 0.000 0.477 208 V N 5.424 125.253 119.914 -0.141 0.000 3.093 208 V HA 0.888 6.343 4.120 2.225 0.000 0.320 208 V C -0.088 175.918 176.094 -0.146 0.000 1.093 208 V CA -0.199 62.010 62.300 -0.152 0.000 1.016 208 V CB 1.467 33.212 31.823 -0.130 0.000 1.096 208 V HN 0.652 nan 8.190 nan 0.000 0.452 209 V N 0.682 120.519 119.914 -0.127 0.000 4.178 209 V HA 0.067 5.522 4.120 2.225 0.000 0.173 209 V C 2.363 178.425 176.094 -0.053 0.000 1.265 209 V CA 1.218 63.465 62.300 -0.089 0.000 1.269 209 V CB 0.383 32.156 31.823 -0.085 0.000 1.466 209 V HN 1.103 nan 8.190 nan 0.000 0.573 210 S N 0.005 115.684 115.700 -0.034 0.000 2.447 210 S HA -0.238 5.567 4.470 2.225 0.000 0.233 210 S C 1.595 176.225 174.600 0.050 0.000 1.006 210 S CA 1.854 60.068 58.200 0.023 0.000 0.957 210 S CB -0.404 62.840 63.200 0.074 0.000 0.773 210 S HN 0.598 nan 8.310 nan 0.000 0.507 211 D N 1.155 121.558 120.400 0.005 0.000 2.178 211 D HA 0.017 5.992 4.640 2.225 0.000 0.202 211 D C 1.631 177.945 176.300 0.023 0.000 0.974 211 D CA 1.101 55.129 54.000 0.045 0.000 0.841 211 D CB -0.044 40.733 40.800 -0.038 0.000 0.953 211 D HN 0.575 nan 8.370 nan 0.000 0.478 212 I N -0.374 120.193 120.570 -0.006 0.000 3.136 212 I HA -0.096 5.409 4.170 2.225 0.000 0.262 212 I C 2.112 178.224 176.117 -0.007 0.000 1.132 212 I CA -0.235 61.059 61.300 -0.010 0.000 1.450 212 I CB 0.206 38.191 38.000 -0.024 0.000 1.315 212 I HN -0.130 nan 8.210 nan 0.000 0.460 213 I N 1.849 122.413 120.570 -0.010 0.000 2.151 213 I HA -0.262 5.243 4.170 2.225 0.000 0.243 213 I C 2.317 178.436 176.117 0.003 0.000 1.080 213 I CA 1.801 63.098 61.300 -0.005 0.000 1.339 213 I CB -1.319 36.677 38.000 -0.007 0.000 1.039 213 I HN 0.187 nan 8.210 nan 0.000 0.409 214 A N -0.352 122.474 122.820 0.010 0.000 2.415 214 A HA 0.153 5.808 4.320 2.225 0.000 0.248 214 A C 1.164 178.756 177.584 0.013 0.000 1.299 214 A CA -0.009 52.036 52.037 0.013 0.000 0.899 214 A CB -0.299 18.712 19.000 0.018 0.000 0.997 214 A HN 0.291 nan 8.150 nan 0.000 0.506 215 S N -0.433 115.274 115.700 0.012 0.000 2.565 215 S HA 0.398 6.203 4.470 2.225 0.000 0.274 215 S C 1.033 175.636 174.600 0.005 0.000 1.309 215 S CA -0.568 57.638 58.200 0.010 0.000 1.043 215 S CB 0.324 63.529 63.200 0.009 0.000 0.939 215 S HN 0.399 nan 8.310 nan 0.000 0.504 216 L N 2.460 123.684 121.223 0.003 0.000 2.465 216 L HA 0.179 5.854 4.340 2.225 0.000 0.224 216 L C 0.477 177.348 176.870 0.001 0.000 1.145 216 L CA 0.626 55.467 54.840 0.002 0.000 0.834 216 L CB -0.087 41.972 42.059 -0.000 0.000 0.944 216 L HN 0.572 nan 8.230 nan 0.000 0.451 217 D N -0.883 119.517 120.400 0.000 0.000 2.472 217 D HA 0.282 6.257 4.640 2.225 0.000 0.248 217 D C 0.694 176.992 176.300 -0.004 0.000 1.271 217 D CA 0.023 54.022 54.000 -0.002 0.000 0.888 217 D CB 1.287 42.087 40.800 -0.001 0.000 1.337 217 D HN -0.021 nan 8.370 nan 0.000 0.526 218 A N 2.115 124.930 122.820 -0.009 0.000 1.972 218 A HA 0.020 5.675 4.320 2.225 0.000 0.219 218 A C 2.191 179.762 177.584 -0.021 0.000 1.169 218 A CA 1.875 53.903 52.037 -0.016 0.000 0.635 218 A CB -0.279 18.706 19.000 -0.024 0.000 0.810 218 A HN 0.536 nan 8.150 nan 0.000 0.446 219 A N -0.060 122.748 122.820 -0.020 0.000 1.849 219 A HA -0.264 5.391 4.320 2.225 0.000 0.217 219 A C 2.158 179.734 177.584 -0.012 0.000 1.202 219 A CA 2.265 54.291 52.037 -0.019 0.000 0.629 219 A CB -0.615 18.378 19.000 -0.013 0.000 0.834 219 A HN 0.536 nan 8.150 nan 0.000 0.447 220 K N -0.674 119.722 120.400 -0.007 0.000 1.985 220 K HA -0.110 5.545 4.320 2.225 0.000 0.210 220 K C 2.408 179.008 176.600 -0.001 0.000 1.047 220 K CA 1.545 57.831 56.287 -0.002 0.000 0.932 220 K CB -0.256 32.244 32.500 -0.000 0.000 0.716 220 K HN 0.436 nan 8.250 nan 0.000 0.439 221 S N 0.201 115.901 115.700 0.000 0.000 2.387 221 S HA -0.169 5.636 4.470 2.225 0.000 0.230 221 S C 1.854 176.454 174.600 0.001 0.000 1.035 221 S CA 1.940 60.143 58.200 0.005 0.000 1.014 221 S CB -0.481 62.725 63.200 0.010 0.000 0.836 221 S HN 0.458 nan 8.310 nan 0.000 0.466 222 T N 2.047 116.597 114.554 -0.008 0.000 2.643 222 T HA -0.109 5.576 4.350 2.225 0.000 0.264 222 T C 2.432 177.129 174.700 -0.006 0.000 1.045 222 T CA 1.936 64.029 62.100 -0.012 0.000 1.155 222 T CB -0.758 68.096 68.868 -0.024 0.000 0.863 222 T HN 0.624 nan 8.240 nan 0.000 0.420 223 K N 1.299 121.696 120.400 -0.004 0.000 2.127 223 K HA -0.080 5.575 4.320 2.225 0.000 0.208 223 K C 2.168 178.772 176.600 0.007 0.000 1.047 223 K CA 1.774 58.062 56.287 0.001 0.000 0.927 223 K CB -1.369 31.132 32.500 0.002 0.000 0.716 223 K HN 0.546 nan 8.250 nan 0.000 0.450 224 I N 0.396 120.970 120.570 0.007 0.000 2.202 224 I HA -0.221 5.284 4.170 2.225 0.000 0.242 224 I C 2.544 178.669 176.117 0.014 0.000 1.091 224 I CA 1.222 62.529 61.300 0.012 0.000 1.368 224 I CB -0.289 37.718 38.000 0.012 0.000 1.058 224 I HN 0.240 nan 8.210 nan 0.000 0.410 225 L N -0.073 121.155 121.223 0.009 0.000 2.083 225 L HA -0.191 5.484 4.340 2.225 0.000 0.209 225 L C 2.737 179.617 176.870 0.016 0.000 1.083 225 L CA 1.057 55.902 54.840 0.008 0.000 0.752 225 L CB -0.720 41.337 42.059 -0.003 0.000 0.899 225 L HN 0.233 nan 8.230 nan 0.000 0.433 226 R N 0.575 121.083 120.500 0.014 0.000 2.090 226 R HA -0.042 5.633 4.340 2.225 0.000 0.228 226 R C 2.237 178.553 176.300 0.027 0.000 1.110 226 R CA 1.221 57.332 56.100 0.018 0.000 0.973 226 R CB -0.995 29.311 30.300 0.010 0.000 0.869 226 R HN 0.384 nan 8.270 nan 0.000 0.440 227 G N 0.868 109.683 108.800 0.026 0.000 2.446 227 G HA2 -0.237 5.058 3.960 2.225 0.000 0.217 227 G HA3 -0.237 5.058 3.960 2.225 0.000 0.217 227 G C 1.339 176.270 174.900 0.051 0.000 1.168 227 G CA 0.546 45.665 45.100 0.032 0.000 0.771 227 G HN 0.187 nan 8.290 nan 0.000 0.551 228 L N 0.679 121.935 121.223 0.056 0.000 2.027 228 L HA 0.080 5.755 4.340 2.225 0.000 0.206 228 L C 2.854 179.809 176.870 0.141 0.000 1.074 228 L CA 0.998 55.891 54.840 0.089 0.000 0.745 228 L CB -0.697 41.386 42.059 0.041 0.000 0.898 228 L HN 0.191 nan 8.230 nan 0.000 0.433 229 I N 0.243 120.872 120.570 0.097 0.000 2.264 229 I HA -0.268 5.236 4.170 2.225 0.000 0.248 229 I C 0.691 176.883 176.117 0.125 0.000 1.111 229 I CA 1.541 62.911 61.300 0.117 0.000 1.382 229 I CB -0.465 37.576 38.000 0.068 0.000 1.060 229 I HN 0.458 nan 8.210 nan 0.000 0.418 230 D N -0.054 120.390 120.400 0.074 0.000 2.755 230 D HA 0.136 6.111 4.640 2.225 0.000 0.257 230 D C 0.203 176.500 176.300 -0.006 0.000 1.291 230 D CA -0.348 53.671 54.000 0.032 0.000 0.836 230 D CB 0.024 40.839 40.800 0.025 0.000 1.059 230 D HN 0.117 nan 8.370 nan 0.000 0.486 231 K N -0.357 120.031 120.400 -0.021 0.000 2.221 231 K HA 0.495 6.150 4.320 2.225 0.000 0.243 231 K C 0.182 176.559 176.600 -0.372 0.000 0.968 231 K CA -0.560 55.670 56.287 -0.095 0.000 0.846 231 K CB 1.336 33.841 32.500 0.008 0.000 1.141 231 K HN 0.012 nan 8.250 nan 0.000 0.434 232 T N -1.854 112.474 114.554 -0.377 0.000 3.040 232 T HA 0.239 5.924 4.350 2.225 0.000 0.266 232 T C -0.765 173.674 174.700 -0.436 0.000 1.005 232 T CA -0.366 61.403 62.100 -0.553 0.000 0.906 232 T CB -0.000 68.721 68.868 -0.244 0.000 1.082 232 T HN 0.517 nan 8.240 nan 0.000 0.531 233 D N 1.474 121.745 120.400 -0.215 0.000 2.425 233 D HA 0.292 6.267 4.640 2.225 0.000 0.240 233 D C -1.586 174.909 176.300 0.325 0.000 1.080 233 D CA -0.553 53.483 54.000 0.059 0.000 0.836 233 D CB 1.040 41.869 40.800 0.049 0.000 1.125 233 D HN 0.097 nan 8.370 nan 0.000 0.525 234 Y N 2.962 123.406 120.300 0.240 0.000 2.880 234 Y HA 0.214 6.106 4.550 2.237 0.000 0.329 234 Y C -0.223 175.691 175.900 0.023 0.000 1.156 234 Y CA -1.195 56.963 58.100 0.096 0.000 1.348 234 Y CB 0.164 38.472 38.460 -0.253 0.000 1.280 234 Y HN 0.159 nan 8.280 nan 0.000 0.516 235 K N 6.168 126.585 120.400 0.028 0.000 2.307 235 K HA -0.008 5.647 4.320 2.225 0.000 0.285 235 K C 0.298 176.674 176.600 -0.374 0.000 1.073 235 K CA 0.169 56.346 56.287 -0.183 0.000 0.996 235 K CB -0.246 32.201 32.500 -0.089 0.000 0.994 235 K HN 0.708 nan 8.250 nan 0.000 0.452 236 F N 0.811 120.338 119.950 -0.705 0.000 2.721 236 F HA 0.254 6.127 4.527 2.242 0.000 0.301 236 F C 0.206 175.815 175.800 -0.318 0.000 1.096 236 F CA -0.613 56.922 58.000 -0.776 0.000 1.308 236 F CB 0.535 38.821 39.000 -1.190 0.000 1.086 236 F HN 0.009 nan 8.300 nan 0.000 0.587 237 V N 1.819 121.266 119.914 -0.779 0.000 2.668 237 V HA 0.314 5.769 4.120 2.225 0.000 0.304 237 V C -0.866 175.022 176.094 -0.344 0.000 1.071 237 V CA -0.964 61.049 62.300 -0.478 0.000 0.894 237 V CB 1.663 33.157 31.823 -0.548 0.000 1.008 237 V HN 0.239 nan 8.190 nan 0.000 0.425 238 N N 6.604 125.190 118.700 -0.191 0.000 2.950 238 N HA 0.300 6.375 4.740 2.225 0.000 0.313 238 N C -0.810 174.634 175.510 -0.110 0.000 1.213 238 N CA 0.515 53.484 53.050 -0.136 0.000 1.184 238 N CB -0.512 37.915 38.487 -0.100 0.000 1.454 238 N HN 0.600 nan 8.380 nan 0.000 0.532 239 I N -0.382 120.104 120.570 -0.140 0.000 2.785 239 I HA 0.276 5.781 4.170 2.225 0.000 0.293 239 I C 0.642 176.698 176.117 -0.101 0.000 1.446 239 I CA -1.458 59.788 61.300 -0.090 0.000 1.028 239 I CB 1.887 39.840 38.000 -0.078 0.000 1.349 239 I HN 0.204 nan 8.210 nan 0.000 0.438 240 G N 4.524 113.296 108.800 -0.046 0.000 2.559 240 G HA2 0.436 5.731 3.960 2.225 0.000 0.235 240 G HA3 0.436 5.731 3.960 2.225 0.000 0.235 240 G C -0.816 174.064 174.900 -0.034 0.000 1.266 240 G CA -0.027 45.053 45.100 -0.033 0.000 0.847 240 G HN 0.389 nan 8.290 nan 0.000 0.583 241 L N 1.432 122.643 121.223 -0.020 0.000 2.492 241 L HA 0.469 6.144 4.340 2.225 0.000 0.258 241 L C -0.042 176.846 176.870 0.030 0.000 1.028 241 L CA -0.204 54.640 54.840 0.007 0.000 0.900 241 L CB 1.402 43.466 42.059 0.009 0.000 1.191 241 L HN 0.478 nan 8.230 nan 0.000 0.459 247 L N 3.549 124.872 121.223 0.168 0.000 2.749 247 L HA -0.062 5.613 4.340 2.225 0.000 0.313 247 L C 0.803 177.664 176.870 -0.015 0.000 1.251 247 L CA 0.778 55.629 54.840 0.019 0.000 0.867 247 L CB 0.169 42.197 42.059 -0.052 0.000 1.122 247 L HN 0.655 nan 8.230 nan 0.000 0.513 248 T N 1.374 115.875 114.554 -0.088 0.000 2.761 248 T HA 0.219 5.904 4.350 2.225 0.000 0.296 248 T C 0.452 175.021 174.700 -0.219 0.000 0.934 248 T CA -0.546 61.402 62.100 -0.254 0.000 1.091 248 T CB 0.669 69.408 68.868 -0.215 0.000 0.896 248 T HN 0.742 nan 8.240 nan 0.000 0.515 249 T N 1.183 115.586 114.554 -0.251 0.000 2.899 249 T HA 0.104 5.789 4.350 2.225 0.000 0.295 249 T C 1.655 176.239 174.700 -0.193 0.000 1.033 249 T CA -0.453 61.539 62.100 -0.179 0.000 1.084 249 T CB 0.713 69.493 68.868 -0.146 0.000 0.979 249 T HN 0.459 nan 8.240 nan 0.000 0.532 250 T N 2.320 116.766 114.554 -0.179 0.000 2.699 250 T HA -0.125 5.560 4.350 2.225 0.000 0.268 250 T C 1.370 175.943 174.700 -0.212 0.000 1.036 250 T CA 2.119 64.084 62.100 -0.225 0.000 1.147 250 T CB -0.649 68.090 68.868 -0.215 0.000 0.862 250 T HN 0.790 nan 8.240 nan 0.000 0.446 251 D N 0.520 120.823 120.400 -0.162 0.000 2.182 251 D HA -0.073 5.902 4.640 2.225 0.000 0.201 251 D C 2.266 178.485 176.300 -0.135 0.000 0.986 251 D CA 0.957 54.877 54.000 -0.134 0.000 0.847 251 D CB -0.012 40.727 40.800 -0.102 0.000 0.942 251 D HN 0.537 nan 8.370 nan 0.000 0.467 252 E N 0.020 120.122 120.200 -0.163 0.000 2.033 252 E HA -0.051 5.634 4.350 2.225 0.000 0.189 252 E C 2.204 178.722 176.600 -0.137 0.000 0.979 252 E CA 0.431 56.731 56.400 -0.166 0.000 0.802 252 E CB -0.003 29.523 29.700 -0.290 0.000 0.763 252 E HN 0.321 nan 8.360 nan 0.000 0.449 253 I N 1.411 121.882 120.570 -0.164 0.000 2.502 253 I HA -0.323 5.182 4.170 2.225 0.000 0.258 253 I C 2.657 178.701 176.117 -0.122 0.000 1.172 253 I CA 1.180 62.401 61.300 -0.131 0.000 1.430 253 I CB -0.334 37.540 38.000 -0.209 0.000 1.086 253 I HN 0.194 nan 8.210 nan 0.000 0.440 254 Q N 1.115 120.825 119.800 -0.150 0.000 2.083 254 Q HA -0.174 5.501 4.340 2.225 0.000 0.198 254 Q C 2.357 178.315 176.000 -0.070 0.000 0.969 254 Q CA 2.100 57.828 55.803 -0.126 0.000 0.838 254 Q CB 0.066 28.720 28.738 -0.140 0.000 0.900 254 Q HN 0.558 nan 8.270 nan 0.000 0.436 255 S N -0.661 115.002 115.700 -0.061 0.000 2.470 255 S HA 0.000 5.805 4.470 2.225 0.000 0.225 255 S C 1.849 176.436 174.600 -0.021 0.000 1.006 255 S CA 0.303 58.480 58.200 -0.038 0.000 0.934 255 S CB -0.249 62.931 63.200 -0.033 0.000 0.778 255 S HN 0.414 nan 8.310 nan 0.000 0.517 256 I N 1.594 122.154 120.570 -0.016 0.000 2.202 256 I HA -0.109 5.396 4.170 2.225 0.000 0.242 256 I C 2.338 178.461 176.117 0.010 0.000 1.091 256 I CA 1.277 62.582 61.300 0.008 0.000 1.368 256 I CB -0.289 37.725 38.000 0.024 0.000 1.058 256 I HN 0.291 nan 8.210 nan 0.000 0.410 257 I N 0.133 120.712 120.570 0.016 0.000 2.361 257 I HA -0.233 5.272 4.170 2.225 0.000 0.251 257 I C 2.543 178.659 176.117 -0.002 0.000 1.133 257 I CA 1.198 62.515 61.300 0.029 0.000 1.413 257 I CB -0.529 37.510 38.000 0.066 0.000 1.073 257 I HN 0.210 nan 8.210 nan 0.000 0.424 258 S N 1.023 116.713 115.700 -0.017 0.000 2.355 258 S HA -0.123 5.682 4.470 2.225 0.000 0.222 258 S C 1.774 176.351 174.600 -0.037 0.000 1.031 258 S CA 1.092 59.275 58.200 -0.028 0.000 0.993 258 S CB -0.332 62.850 63.200 -0.031 0.000 0.859 258 S HN 0.459 nan 8.310 nan 0.000 0.453 259 N N 0.903 119.581 118.700 -0.037 0.000 2.104 259 N HA -0.104 5.971 4.740 2.225 0.000 0.190 259 N C 1.936 177.391 175.510 -0.092 0.000 1.024 259 N CA 1.546 54.561 53.050 -0.059 0.000 0.853 259 N CB -0.648 37.816 38.487 -0.038 0.000 1.008 259 N HN 0.410 nan 8.380 nan 0.000 0.424 260 T N 0.605 115.124 114.554 -0.057 0.000 2.951 260 T HA 0.081 5.766 4.350 2.225 0.000 0.268 260 T C 2.038 176.706 174.700 -0.054 0.000 1.073 260 T CA 0.412 62.478 62.100 -0.056 0.000 1.134 260 T CB 0.065 68.925 68.868 -0.013 0.000 0.884 260 T HN 0.082 nan 8.240 nan 0.000 0.479 261 L N 0.129 121.324 121.223 -0.045 0.000 2.162 261 L HA 0.220 5.895 4.340 2.225 0.000 0.205 261 L C 2.602 179.444 176.870 -0.046 0.000 1.086 261 L CA 1.016 55.832 54.840 -0.040 0.000 0.778 261 L CB -0.266 41.769 42.059 -0.040 0.000 0.928 261 L HN 0.157 nan 8.230 nan 0.000 0.446 262 K N 0.266 120.631 120.400 -0.059 0.000 2.525 262 K HA -0.005 5.650 4.320 2.225 0.000 0.192 262 K C 1.243 177.789 176.600 -0.090 0.000 1.029 262 K CA 0.804 57.055 56.287 -0.060 0.000 1.029 262 K CB 0.214 32.682 32.500 -0.054 0.000 0.814 262 K HN 0.260 nan 8.250 nan 0.000 0.503 263 A N -0.133 122.607 122.820 -0.134 0.000 2.498 263 A HA 0.268 5.923 4.320 2.225 0.000 0.238 263 A C 0.621 178.144 177.584 -0.102 0.000 1.225 263 A CA 0.317 52.228 52.037 -0.210 0.000 0.978 263 A CB 0.229 18.883 19.000 -0.578 0.000 1.142 263 A HN 0.303 nan 8.150 nan 0.000 0.552 264 R N -0.061 120.409 120.500 -0.051 0.000 3.034 264 R HA -0.151 5.524 4.340 2.225 0.000 0.237 264 R C -2.337 173.978 176.300 0.025 0.000 0.861 264 R CA 1.297 57.395 56.100 -0.003 0.000 0.588 264 R CB -3.084 27.224 30.300 0.012 0.000 1.035 264 R HN 0.487 nan 8.270 nan 0.000 0.488 265 P HA 0.200 nan 4.420 nan 0.000 0.265 265 P C 0.109 177.464 177.300 0.092 0.000 1.193 265 P CA -0.577 62.571 63.100 0.081 0.000 0.765 265 P CB 0.739 32.482 31.700 0.071 0.000 0.823 266 L N 5.383 126.674 121.223 0.114 0.000 2.278 266 L HA 0.249 5.924 4.340 2.225 0.000 0.287 266 L C -0.793 176.157 176.870 0.132 0.000 1.072 266 L CA -0.154 54.756 54.840 0.116 0.000 0.819 266 L CB 0.480 42.606 42.059 0.112 0.000 1.176 266 L HN 0.044 nan 8.230 nan 0.000 0.435 267 V N 5.541 125.530 119.914 0.126 0.000 2.394 267 V HA 0.338 5.793 4.120 2.225 0.000 0.282 267 V C 0.001 176.166 176.094 0.119 0.000 1.031 267 V CA -0.520 61.831 62.300 0.084 0.000 0.881 267 V CB 1.302 33.175 31.823 0.083 0.000 0.982 267 V HN 0.782 nan 8.190 nan 0.000 0.451 268 Q N 3.265 123.084 119.800 0.031 0.000 2.340 268 Q HA 0.365 6.039 4.340 2.225 0.000 0.259 268 Q C -1.192 174.785 176.000 -0.039 0.000 0.964 268 Q CA -0.650 55.191 55.803 0.062 0.000 0.900 268 Q CB 0.631 29.408 28.738 0.065 0.000 1.228 268 Q HN 0.823 nan 8.270 nan 0.000 0.449 269 H N 4.094 123.172 119.070 0.014 0.000 2.685 269 H HA 0.302 6.194 4.556 2.227 0.000 0.286 269 H C -0.691 174.645 175.328 0.013 0.000 1.102 269 H CA -0.261 55.794 56.048 0.012 0.000 1.254 269 H CB 0.346 30.120 29.762 0.022 0.000 1.397 269 H HN 0.531 nan 8.280 nan 0.000 0.473 270 I N 3.456 124.070 120.570 0.074 0.000 2.256 270 I HA 0.199 5.704 4.170 2.225 0.000 0.294 270 I C 0.507 176.659 176.117 0.059 0.000 1.127 270 I CA 0.083 61.421 61.300 0.064 0.000 1.247 270 I CB 0.240 38.268 38.000 0.047 0.000 1.460 270 I HN 0.529 nan 8.210 nan 0.000 0.511 271 T N 2.988 117.579 114.554 0.060 0.000 2.787 271 T HA 0.405 6.090 4.350 2.225 0.000 0.297 271 T C -0.011 174.664 174.700 -0.042 0.000 1.221 271 T CA -0.740 61.370 62.100 0.016 0.000 1.006 271 T CB 0.937 69.862 68.868 0.095 0.000 1.328 271 T HN 0.521 nan 8.240 nan 0.000 0.509 272 N N 0.162 118.759 118.700 -0.173 0.000 2.240 272 N HA 0.326 6.401 4.740 2.225 0.000 0.245 272 N C 1.547 177.013 175.510 -0.073 0.000 1.311 272 N CA 0.433 53.373 53.050 -0.184 0.000 0.873 272 N CB 0.099 38.349 38.487 -0.395 0.000 1.049 272 N HN 0.753 nan 8.380 nan 0.000 0.466 273 K N -0.176 120.197 120.400 -0.044 0.000 2.308 273 K HA 0.101 5.756 4.320 2.225 0.000 0.197 273 K C 1.804 178.437 176.600 0.055 0.000 1.049 273 K CA 1.089 57.381 56.287 0.009 0.000 0.991 273 K CB -0.924 31.581 32.500 0.008 0.000 0.836 273 K HN 0.446 nan 8.250 nan 0.000 0.500 274 V N -1.901 118.063 119.914 0.083 0.000 2.951 274 V HA 0.020 5.474 4.120 2.225 0.000 0.255 274 V C 1.897 178.178 176.094 0.311 0.000 1.088 274 V CA 1.214 63.617 62.300 0.172 0.000 1.109 274 V CB -1.152 30.780 31.823 0.181 0.000 0.724 274 V HN 0.707 nan 8.190 nan 0.000 0.471 275 H N -0.440 118.674 119.070 0.074 0.000 2.563 275 H HA 0.122 6.012 4.556 2.225 0.000 0.264 275 H C 2.172 177.559 175.328 0.098 0.000 0.957 275 H CA 0.668 56.788 56.048 0.121 0.000 1.173 275 H CB 0.634 30.457 29.762 0.102 0.000 1.420 275 H HN 0.460 nan 8.280 nan 0.000 0.551 276 Q N 1.407 121.310 119.800 0.171 0.000 1.965 276 Q HA -0.153 5.522 4.340 2.225 0.000 0.200 276 Q C 2.129 178.142 176.000 0.022 0.000 0.981 276 Q CA 1.641 57.477 55.803 0.054 0.000 0.834 276 Q CB 0.128 28.885 28.738 0.032 0.000 0.900 276 Q HN 0.249 nan 8.270 nan 0.000 0.426 277 N N -0.615 118.125 118.700 0.066 0.000 2.069 277 N HA -0.202 5.873 4.740 2.225 0.000 0.191 277 N C 1.462 177.021 175.510 0.082 0.000 1.031 277 N CA 1.476 54.559 53.050 0.055 0.000 0.852 277 N CB -0.307 38.223 38.487 0.071 0.000 1.018 277 N HN 0.236 nan 8.380 nan 0.000 0.423 278 F N 0.673 120.615 119.950 -0.013 0.000 2.069 278 F HA 0.031 5.892 4.527 2.224 0.000 0.298 278 F C 2.224 178.006 175.800 -0.030 0.000 1.113 278 F CA 1.890 59.881 58.000 -0.015 0.000 1.214 278 F CB -0.970 38.028 39.000 -0.002 0.000 0.978 278 F HN 0.099 nan 8.300 nan 0.000 0.474 279 G N -0.684 108.064 108.800 -0.087 0.000 2.448 279 G HA2 -0.161 5.134 3.960 2.225 0.000 0.219 279 G HA3 -0.161 5.134 3.960 2.225 0.000 0.219 279 G C 1.777 176.472 174.900 -0.341 0.000 1.127 279 G CA 0.713 45.691 45.100 -0.203 0.000 0.766 279 G HN 0.625 nan 8.290 nan 0.000 0.552 280 A N 1.107 123.734 122.820 -0.322 0.000 1.930 280 A HA -0.027 5.628 4.320 2.225 0.000 0.217 280 A C 2.143 179.619 177.584 -0.181 0.000 1.175 280 A CA 1.661 53.533 52.037 -0.274 0.000 0.627 280 A CB -0.441 18.450 19.000 -0.181 0.000 0.815 280 A HN 0.493 nan 8.150 nan 0.000 0.443 281 N N -0.342 118.239 118.700 -0.198 0.000 2.216 281 N HA -0.064 6.011 4.740 2.225 0.000 0.183 281 N C 1.496 176.882 175.510 -0.206 0.000 1.017 281 N CA 1.121 54.065 53.050 -0.176 0.000 0.861 281 N CB -0.123 38.264 38.487 -0.166 0.000 0.986 281 N HN 0.242 nan 8.380 nan 0.000 0.428 282 V N 0.961 120.678 119.914 -0.330 0.000 2.343 282 V HA -0.219 5.236 4.120 2.225 0.000 0.247 282 V C 2.120 178.153 176.094 -0.103 0.000 1.051 282 V CA 1.799 63.946 62.300 -0.255 0.000 1.036 282 V CB -0.864 30.775 31.823 -0.306 0.000 0.654 282 V HN 0.402 nan 8.190 nan 0.000 0.451 283 T N 0.323 114.831 114.554 -0.077 0.000 2.746 283 T HA -0.118 5.567 4.350 2.225 0.000 0.267 283 T C 1.902 176.606 174.700 0.007 0.000 1.039 283 T CA 1.123 63.227 62.100 0.008 0.000 1.142 283 T CB -0.279 68.635 68.868 0.075 0.000 0.866 283 T HN 0.114 nan 8.240 nan 0.000 0.444 284 L N 1.635 122.846 121.223 -0.019 0.000 1.961 284 L HA 0.041 5.716 4.340 2.225 0.000 0.210 284 L C 2.941 179.837 176.870 0.044 0.000 1.072 284 L CA 1.998 56.840 54.840 0.003 0.000 0.749 284 L CB -1.755 40.290 42.059 -0.024 0.000 0.889 284 L HN 0.282 nan 8.230 nan 0.000 0.432 285 A N -0.672 122.172 122.820 0.040 0.000 1.940 285 A HA -0.241 5.414 4.320 2.225 0.000 0.221 285 A C 2.088 179.754 177.584 0.138 0.000 1.190 285 A CA 1.846 53.968 52.037 0.141 0.000 0.647 285 A CB -0.947 18.095 19.000 0.069 0.000 0.821 285 A HN 0.472 nan 8.150 nan 0.000 0.457 286 L N -0.767 120.487 121.223 0.051 0.000 2.675 286 L HA 0.117 5.792 4.340 2.225 0.000 0.239 286 L C 1.572 178.453 176.870 0.019 0.000 1.151 286 L CA 0.449 55.303 54.840 0.023 0.000 0.905 286 L CB -1.011 41.057 42.059 0.016 0.000 1.057 286 L HN 0.662 nan 8.230 nan 0.000 0.435 287 G N 0.148 108.975 108.800 0.045 0.000 2.225 287 G HA2 -0.264 5.030 3.960 2.225 0.000 0.267 287 G HA3 -0.264 5.030 3.960 2.225 0.000 0.267 287 G C 0.146 175.062 174.900 0.026 0.000 1.024 287 G CA 0.545 45.667 45.100 0.036 0.000 0.784 287 G HN 0.431 nan 8.290 nan 0.000 0.507 288 S N -1.213 114.507 115.700 0.033 0.000 2.704 288 S HA 0.860 6.665 4.470 2.225 0.000 0.296 288 S C -0.113 174.515 174.600 0.047 0.000 1.138 288 S CA -0.055 58.168 58.200 0.038 0.000 0.875 288 S CB 2.089 65.314 63.200 0.042 0.000 1.151 288 S HN 1.133 nan 8.310 nan 0.000 0.500 289 S N 1.356 117.091 115.700 0.058 0.000 2.478 289 S HA 0.675 6.480 4.470 2.225 0.000 0.312 289 S C -3.125 171.526 174.600 0.084 0.000 1.094 289 S CA -1.633 56.602 58.200 0.058 0.000 1.081 289 S CB 1.016 64.247 63.200 0.051 0.000 1.007 289 S HN 0.324 nan 8.310 nan 0.000 0.475 290 P HA 0.470 nan 4.420 nan 0.000 0.277 290 P C -0.925 176.428 177.300 0.089 0.000 1.240 290 P CA -0.573 62.580 63.100 0.088 0.000 0.798 290 P CB 0.467 32.142 31.700 -0.042 0.000 0.979 291 I N 3.348 124.003 120.570 0.141 0.000 2.534 291 I HA 0.167 5.672 4.170 2.225 0.000 0.286 291 I C 0.126 176.318 176.117 0.125 0.000 1.094 291 I CA -0.550 60.816 61.300 0.109 0.000 1.055 291 I CB 2.119 40.189 38.000 0.116 0.000 1.225 291 I HN 0.253 nan 8.210 nan 0.000 0.435 292 M N 3.621 123.267 119.600 0.077 0.000 2.626 292 M HA 0.135 5.950 4.480 2.225 0.000 0.262 292 M C 0.852 177.194 176.300 0.069 0.000 1.256 292 M CA -0.051 55.296 55.300 0.078 0.000 0.981 292 M CB -0.944 31.678 32.600 0.036 0.000 1.492 292 M HN 0.480 nan 8.290 nan 0.000 0.474 293 S N 1.759 117.503 115.700 0.073 0.000 2.498 293 S HA 0.094 5.899 4.470 2.225 0.000 0.281 293 S C 0.623 175.259 174.600 0.060 0.000 1.265 293 S CA 0.070 58.307 58.200 0.061 0.000 1.071 293 S CB 0.340 63.579 63.200 0.065 0.000 0.894 293 S HN 0.510 nan 8.310 nan 0.000 0.491 294 E N 4.082 124.310 120.200 0.047 0.000 2.609 294 E HA 0.234 5.919 4.350 2.225 0.000 0.208 294 E C -0.792 175.830 176.600 0.036 0.000 1.013 294 E CA -0.148 56.278 56.400 0.043 0.000 1.093 294 E CB 0.302 30.024 29.700 0.037 0.000 1.129 294 E HN 0.598 nan 8.360 nan 0.000 0.450 295 I N 1.909 122.502 120.570 0.037 0.000 2.325 295 I HA -0.025 5.480 4.170 2.225 0.000 0.291 295 I C 1.564 177.698 176.117 0.028 0.000 1.019 295 I CA -0.027 61.291 61.300 0.029 0.000 1.302 295 I CB 1.153 39.169 38.000 0.027 0.000 1.401 295 I HN 0.054 nan 8.210 nan 0.000 0.485 296 Q N 3.069 122.880 119.800 0.018 0.000 1.985 296 Q HA -0.220 5.455 4.340 2.225 0.000 0.207 296 Q C 2.144 178.150 176.000 0.009 0.000 0.996 296 Q CA 2.599 58.408 55.803 0.010 0.000 0.851 296 Q CB -0.100 28.637 28.738 -0.002 0.000 0.921 296 Q HN 0.907 nan 8.270 nan 0.000 0.418 297 S N 0.942 116.645 115.700 0.005 0.000 2.359 297 S HA -0.224 5.581 4.470 2.225 0.000 0.223 297 S C 1.764 176.369 174.600 0.008 0.000 1.039 297 S CA 1.468 59.669 58.200 0.001 0.000 1.042 297 S CB -0.554 62.646 63.200 -0.000 0.000 0.915 297 S HN 0.347 nan 8.310 nan 0.000 0.439 298 E N 0.591 120.801 120.200 0.017 0.000 2.160 298 E HA -0.125 5.560 4.350 2.225 0.000 0.195 298 E C 2.030 178.651 176.600 0.035 0.000 0.991 298 E CA 0.947 57.362 56.400 0.024 0.000 0.810 298 E CB -0.366 29.353 29.700 0.032 0.000 0.742 298 E HN 0.352 nan 8.360 nan 0.000 0.466 299 V N 1.899 121.843 119.914 0.050 0.000 2.313 299 V HA -0.342 5.112 4.120 2.225 0.000 0.253 299 V C 1.940 178.060 176.094 0.043 0.000 1.070 299 V CA 2.077 64.428 62.300 0.085 0.000 1.057 299 V CB -0.371 31.502 31.823 0.085 0.000 0.653 299 V HN 0.349 nan 8.190 nan 0.000 0.450 300 N N -0.364 118.338 118.700 0.003 0.000 2.270 300 N HA -0.111 5.964 4.740 2.225 0.000 0.181 300 N C 1.441 176.917 175.510 -0.057 0.000 1.016 300 N CA 1.688 54.717 53.050 -0.036 0.000 0.870 300 N CB -0.210 38.257 38.487 -0.033 0.000 0.979 300 N HN 0.599 nan 8.380 nan 0.000 0.431 301 D N 0.098 120.478 120.400 -0.033 0.000 2.162 301 D HA -0.024 5.951 4.640 2.225 0.000 0.203 301 D C 1.905 178.180 176.300 -0.042 0.000 0.967 301 D CA 0.264 54.243 54.000 -0.035 0.000 0.840 301 D CB -0.113 40.679 40.800 -0.014 0.000 0.972 301 D HN 0.036 nan 8.370 nan 0.000 0.482 302 L N 1.010 122.222 121.223 -0.017 0.000 2.013 302 L HA -0.138 5.537 4.340 2.225 0.000 0.212 302 L C 2.335 179.146 176.870 -0.098 0.000 1.073 302 L CA 1.613 56.456 54.840 0.005 0.000 0.753 302 L CB -1.145 40.976 42.059 0.104 0.000 0.890 302 L HN 0.001 nan 8.230 nan 0.000 0.432 303 A N -1.023 121.623 122.820 -0.290 0.000 1.972 303 A HA -0.090 5.565 4.320 2.225 0.000 0.219 303 A C 2.449 179.842 177.584 -0.318 0.000 1.169 303 A CA 1.534 53.204 52.037 -0.612 0.000 0.635 303 A CB -0.802 17.624 19.000 -0.956 0.000 0.810 303 A HN 0.396 nan 8.150 nan 0.000 0.446 304 A N -0.237 122.468 122.820 -0.192 0.000 2.015 304 A HA 0.118 5.772 4.320 2.225 0.000 0.219 304 A C 1.123 178.650 177.584 -0.095 0.000 1.163 304 A CA 0.323 52.283 52.037 -0.128 0.000 0.646 304 A CB -0.499 18.448 19.000 -0.089 0.000 0.806 304 A HN 0.486 nan 8.150 nan 0.000 0.448 305 I N 1.272 121.797 120.570 -0.075 0.000 2.775 305 I HA 0.022 5.527 4.170 2.225 0.000 0.290 305 I C -2.086 174.006 176.117 -0.042 0.000 1.203 305 I CA -1.399 59.879 61.300 -0.037 0.000 1.433 305 I CB 0.615 38.612 38.000 -0.005 0.000 1.354 305 I HN 0.125 nan 8.210 nan 0.000 0.579 306 P HA 0.111 nan 4.420 nan 0.000 0.274 306 P C -0.551 176.764 177.300 0.026 0.000 1.231 306 P CA 0.010 63.075 63.100 -0.058 0.000 0.790 306 P CB 0.226 31.909 31.700 -0.029 0.000 0.951 307 H N -1.727 117.347 119.070 0.006 0.000 2.690 307 H HA -0.155 5.736 4.556 2.225 0.000 0.309 307 H C 0.205 175.563 175.328 0.049 0.000 1.138 307 H CA 0.516 56.579 56.048 0.024 0.000 1.142 307 H CB -1.882 27.894 29.762 0.024 0.000 1.410 307 H HN 0.521 nan 8.280 nan 0.000 0.409 308 A N 0.663 123.547 122.820 0.107 0.000 2.354 308 A HA 0.648 6.303 4.320 2.225 0.000 0.269 308 A C 0.573 178.319 177.584 0.270 0.000 1.109 308 A CA 0.465 52.599 52.037 0.160 0.000 0.800 308 A CB 0.832 19.875 19.000 0.071 0.000 1.045 308 A HN 0.303 nan 8.150 nan 0.000 0.489 309 T N 1.330 116.080 114.554 0.326 0.000 2.923 309 T HA 0.515 6.200 4.350 2.225 0.000 0.311 309 T C -1.199 173.525 174.700 0.040 0.000 1.183 309 T CA -0.395 61.847 62.100 0.237 0.000 1.020 309 T CB 1.331 70.267 68.868 0.114 0.000 1.165 309 T HN 0.694 nan 8.240 nan 0.000 0.482 310 L N 2.218 123.305 121.223 -0.227 0.000 2.346 310 L HA 0.744 6.419 4.340 2.225 0.000 0.276 310 L C -1.456 175.280 176.870 -0.224 0.000 1.006 310 L CA -0.829 53.734 54.840 -0.461 0.000 0.817 310 L CB 1.398 42.872 42.059 -0.975 0.000 1.272 310 L HN 0.679 nan 8.230 nan 0.000 0.421 311 L N 5.672 126.759 121.223 -0.227 0.000 2.316 311 L HA 0.438 6.113 4.340 2.225 0.000 0.280 311 L C -1.278 175.551 176.870 -0.069 0.000 1.006 311 L CA -0.708 54.033 54.840 -0.166 0.000 0.836 311 L CB 1.293 43.151 42.059 -0.335 0.000 1.221 311 L HN 0.513 nan 8.230 nan 0.000 0.418 312 L N 3.985 125.224 121.223 0.027 0.000 2.350 312 L HA 0.357 6.032 4.340 2.225 0.000 0.275 312 L C -0.182 176.705 176.870 0.028 0.000 1.099 312 L CA 0.059 54.959 54.840 0.100 0.000 0.808 312 L CB 1.291 43.529 42.059 0.297 0.000 1.149 312 L HN 0.644 nan 8.230 nan 0.000 0.442 313 N N 0.405 119.122 118.700 0.029 0.000 2.607 313 N HA 0.163 6.238 4.740 2.225 0.000 0.271 313 N C -0.882 174.617 175.510 -0.019 0.000 1.142 313 N CA -0.284 52.744 53.050 -0.037 0.000 0.810 313 N CB 0.830 39.306 38.487 -0.019 0.000 1.306 313 N HN 0.567 nan 8.380 nan 0.000 0.536 314 T N 2.173 116.710 114.554 -0.029 0.000 2.723 314 T HA 0.122 5.807 4.350 2.225 0.000 0.260 314 T C 0.862 175.560 174.700 -0.003 0.000 1.019 314 T CA 1.608 63.721 62.100 0.021 0.000 1.155 314 T CB -0.154 68.716 68.868 0.003 0.000 1.024 314 T HN 0.840 nan 8.240 nan 0.000 0.491 315 G N 2.947 111.758 108.800 0.019 0.000 2.587 315 G HA2 -0.093 5.202 3.960 2.225 0.000 0.245 315 G HA3 -0.093 5.202 3.960 2.225 0.000 0.245 315 G C 0.339 175.226 174.900 -0.021 0.000 0.959 315 G CA 0.040 45.140 45.100 0.001 0.000 1.268 315 G HN 1.447 nan 8.290 nan 0.000 0.448 316 S N -0.066 115.632 115.700 -0.004 0.000 2.977 316 S HA 0.432 6.237 4.470 2.225 0.000 0.250 316 S C 1.376 175.977 174.600 0.002 0.000 1.005 316 S CA 0.821 59.013 58.200 -0.015 0.000 1.081 316 S CB 0.817 64.014 63.200 -0.005 0.000 1.018 316 S HN 1.963 nan 8.310 nan 0.000 0.539 317 V N -0.899 119.019 119.914 0.005 0.000 1.160 317 V HA -0.296 5.159 4.120 2.225 0.000 0.052 317 V C 1.269 177.376 176.094 0.020 0.000 2.172 317 V CA 1.434 63.741 62.300 0.010 0.000 3.045 317 V CB -2.443 29.384 31.823 0.006 0.000 1.429 317 V HN 1.192 nan 8.190 nan 0.000 1.021 318 A N 1.450 124.286 122.820 0.028 0.000 2.491 318 A HA 0.540 6.194 4.320 2.225 0.000 0.261 318 A C -1.601 176.009 177.584 0.044 0.000 1.101 318 A CA -0.612 51.447 52.037 0.036 0.000 0.772 318 A CB -0.167 18.859 19.000 0.044 0.000 1.043 318 A HN 0.414 nan 8.150 nan 0.000 0.501 319 P HA 0.085 nan 4.420 nan 0.000 0.262 319 P C -1.959 175.376 177.300 0.058 0.000 1.182 319 P CA -0.866 62.258 63.100 0.040 0.000 0.761 319 P CB 0.165 31.879 31.700 0.025 0.000 0.795 320 P HA -0.219 nan 4.420 nan 0.000 0.216 320 P C 1.131 178.482 177.300 0.085 0.000 1.150 320 P CA 1.554 64.746 63.100 0.152 0.000 0.843 320 P CB -0.167 31.639 31.700 0.178 0.000 0.787 321 E N -0.903 119.308 120.200 0.019 0.000 2.160 321 E HA -0.237 5.448 4.350 2.225 0.000 0.195 321 E C 1.886 178.437 176.600 -0.083 0.000 0.991 321 E CA 1.430 57.794 56.400 -0.060 0.000 0.810 321 E CB -0.711 28.967 29.700 -0.036 0.000 0.742 321 E HN 0.314 nan 8.360 nan 0.000 0.466 322 M N 1.051 120.636 119.600 -0.024 0.000 2.216 322 M HA -0.021 5.794 4.480 2.225 0.000 0.264 322 M C 1.975 178.275 176.300 -0.001 0.000 1.080 322 M CA 1.471 56.764 55.300 -0.012 0.000 1.153 322 M CB -0.368 32.240 32.600 0.013 0.000 1.356 322 M HN 0.006 nan 8.290 nan 0.000 0.432 323 L N 0.333 121.585 121.223 0.048 0.000 2.013 323 L HA -0.258 5.417 4.340 2.225 0.000 0.212 323 L C 2.715 179.615 176.870 0.051 0.000 1.073 323 L CA 2.134 57.037 54.840 0.106 0.000 0.753 323 L CB -1.278 40.909 42.059 0.213 0.000 0.890 323 L HN 0.472 nan 8.230 nan 0.000 0.432 324 K N 0.454 120.759 120.400 -0.158 0.000 2.001 324 K HA -0.265 5.390 4.320 2.225 0.000 0.214 324 K C 2.191 178.625 176.600 -0.277 0.000 1.050 324 K CA 1.783 57.715 56.287 -0.591 0.000 0.934 324 K CB -0.245 31.545 32.500 -1.184 0.000 0.718 324 K HN 0.275 nan 8.250 nan 0.000 0.443 325 A N 0.825 123.532 122.820 -0.189 0.000 1.927 325 A HA -0.218 5.437 4.320 2.225 0.000 0.220 325 A C 2.313 179.880 177.584 -0.029 0.000 1.185 325 A CA 2.377 54.352 52.037 -0.104 0.000 0.639 325 A CB -0.933 18.027 19.000 -0.066 0.000 0.820 325 A HN 0.578 nan 8.150 nan 0.000 0.451 326 A N -0.332 122.495 122.820 0.011 0.000 1.840 326 A HA 0.012 5.667 4.320 2.225 0.000 0.214 326 A C 2.107 179.761 177.584 0.115 0.000 1.198 326 A CA 1.307 53.397 52.037 0.088 0.000 0.608 326 A CB -0.667 18.372 19.000 0.064 0.000 0.839 326 A HN 0.455 nan 8.150 nan 0.000 0.443 327 I N -0.812 119.794 120.570 0.060 0.000 2.185 327 I HA -0.348 5.157 4.170 2.225 0.000 0.246 327 I C 2.760 178.895 176.117 0.030 0.000 1.088 327 I CA 2.002 63.328 61.300 0.043 0.000 1.347 327 I CB -0.248 37.775 38.000 0.038 0.000 1.041 327 I HN 0.344 nan 8.210 nan 0.000 0.415 328 R N 0.662 121.155 120.500 -0.012 0.000 2.070 328 R HA -0.161 5.513 4.340 2.225 0.000 0.233 328 R C 2.435 178.753 176.300 0.030 0.000 1.137 328 R CA 1.631 57.715 56.100 -0.027 0.000 0.945 328 R CB -0.469 29.781 30.300 -0.084 0.000 0.845 328 R HN 0.373 nan 8.270 nan 0.000 0.430 329 A N 0.000 122.858 122.820 0.063 0.000 1.896 329 A HA -0.268 5.387 4.320 2.225 0.000 0.220 329 A C 2.077 179.680 177.584 0.032 0.000 1.206 329 A CA 1.981 54.049 52.037 0.052 0.000 0.647 329 A CB -1.157 17.900 19.000 0.095 0.000 0.828 329 A HN 0.525 nan 8.150 nan 0.000 0.455 330 Y N -0.298 119.996 120.300 -0.009 0.000 2.293 330 Y HA -0.112 5.770 4.550 2.220 0.000 0.291 330 Y C 2.359 178.259 175.900 -0.001 0.000 1.137 330 Y CA 1.362 59.462 58.100 0.001 0.000 1.202 330 Y CB -0.648 37.825 38.460 0.022 0.000 0.990 330 Y HN 0.448 nan 8.280 nan 0.000 0.537 331 N N -0.284 118.496 118.700 0.134 0.000 2.244 331 N HA -0.155 5.920 4.740 2.225 0.000 0.183 331 N C 0.853 176.395 175.510 0.053 0.000 1.016 331 N CA 0.979 54.079 53.050 0.083 0.000 0.866 331 N CB -0.042 38.477 38.487 0.053 0.000 0.980 331 N HN 0.258 nan 8.380 nan 0.000 0.430 332 D N -0.174 120.239 120.400 0.021 0.000 2.269 332 D HA -0.037 5.938 4.640 2.225 0.000 0.208 332 D C 1.348 177.634 176.300 -0.022 0.000 0.963 332 D CA 0.655 54.654 54.000 -0.002 0.000 0.864 332 D CB 0.216 41.003 40.800 -0.023 0.000 0.936 332 D HN 0.081 nan 8.370 nan 0.000 0.505 333 V N 0.256 120.142 119.914 -0.046 0.000 3.621 333 V HA 0.090 5.545 4.120 2.225 0.000 0.285 333 V C 0.610 176.670 176.094 -0.056 0.000 1.346 333 V CA -0.182 62.074 62.300 -0.073 0.000 1.104 333 V CB -0.540 31.199 31.823 -0.140 0.000 0.913 333 V HN 0.172 nan 8.190 nan 0.000 0.432 334 K N 0.072 120.460 120.400 -0.020 0.000 3.160 334 K HA -0.190 5.465 4.320 2.225 0.000 0.280 334 K C 0.218 176.801 176.600 -0.030 0.000 1.154 334 K CA 0.551 56.822 56.287 -0.027 0.000 0.822 334 K CB -1.036 31.429 32.500 -0.060 0.000 1.239 334 K HN 0.472 nan 8.250 nan 0.000 0.489 335 R N 0.287 120.800 120.500 0.021 0.000 2.607 335 R HA 0.393 6.068 4.340 2.225 0.000 0.261 335 R C -2.402 173.996 176.300 0.164 0.000 1.051 335 R CA -1.871 54.273 56.100 0.073 0.000 1.110 335 R CB 0.551 30.901 30.300 0.083 0.000 1.158 335 R HN -0.097 nan 8.270 nan 0.000 0.543 336 P HA 0.362 nan 4.420 nan 0.000 0.288 336 P C -0.506 176.895 177.300 0.169 0.000 1.267 336 P CA -0.262 62.934 63.100 0.159 0.000 0.815 336 P CB 0.816 32.586 31.700 0.117 0.000 0.989 337 I N 2.194 122.884 120.570 0.200 0.000 2.404 337 I HA 0.364 5.869 4.170 2.225 0.000 0.293 337 I C -0.204 176.063 176.117 0.248 0.000 0.992 337 I CA -1.172 60.251 61.300 0.205 0.000 1.149 337 I CB 2.133 40.320 38.000 0.311 0.000 1.315 337 I HN -0.034 nan 8.210 nan 0.000 0.446 338 V N 6.444 126.445 119.914 0.145 0.000 2.435 338 V HA 0.363 5.818 4.120 2.225 0.000 0.290 338 V C -0.860 175.289 176.094 0.093 0.000 1.030 338 V CA -0.540 61.825 62.300 0.108 0.000 0.881 338 V CB 1.891 33.730 31.823 0.027 0.000 0.983 338 V HN 0.443 nan 8.190 nan 0.000 0.445 339 F N 4.750 124.595 119.950 -0.174 0.000 2.460 339 F HA 0.616 6.491 4.527 2.246 0.000 0.341 339 F C -0.637 175.014 175.800 -0.247 0.000 1.130 339 F CA -1.203 56.581 58.000 -0.359 0.000 0.962 339 F CB 1.506 39.961 39.000 -0.910 0.000 1.171 339 F HN 0.536 nan 8.300 nan 0.000 0.436 340 D N 8.243 128.226 120.400 -0.695 0.000 2.454 340 D HA 0.425 6.399 4.640 2.225 0.000 0.247 340 D C -2.790 173.096 176.300 -0.690 0.000 1.129 340 D CA -2.538 51.127 54.000 -0.558 0.000 0.877 340 D CB 1.861 42.519 40.800 -0.238 0.000 1.082 340 D HN 0.165 nan 8.370 nan 0.000 0.537 341 P HA 0.030 nan 4.420 nan 0.000 0.225 341 P C 1.498 178.690 177.300 -0.179 0.000 1.768 341 P CA -0.312 62.481 63.100 -0.511 0.000 0.943 341 P CB 0.257 31.691 31.700 -0.444 0.000 1.936 342 V N -0.156 119.678 119.914 -0.133 0.000 2.225 342 V HA -0.323 5.132 4.120 2.225 0.000 0.252 342 V C 2.115 178.220 176.094 0.018 0.000 1.055 342 V CA 2.525 64.811 62.300 -0.023 0.000 1.032 342 V CB -2.194 29.648 31.823 0.033 0.000 0.655 342 V HN 0.344 nan 8.190 nan 0.000 0.458 343 G N -1.630 107.185 108.800 0.024 0.000 2.844 343 G HA2 0.016 5.311 3.960 2.225 0.000 0.211 343 G HA3 0.016 5.311 3.960 2.225 0.000 0.211 343 G C 0.663 175.625 174.900 0.104 0.000 1.368 343 G CA 2.149 47.273 45.100 0.040 0.000 0.815 343 G HN 1.182 nan 8.290 nan 0.000 0.649 344 Y N -1.283 118.993 120.300 -0.040 0.000 2.930 344 Y HA -0.350 5.531 4.550 2.220 0.000 0.464 344 Y C 2.127 178.017 175.900 -0.016 0.000 1.220 344 Y CA 1.816 59.897 58.100 -0.031 0.000 2.414 344 Y CB -1.215 37.218 38.460 -0.046 0.000 1.261 344 Y HN 0.726 nan 8.280 nan 0.000 0.637 345 S N 1.494 117.119 115.700 -0.126 0.000 2.571 345 S HA -0.014 5.791 4.470 2.225 0.000 0.245 345 S C 1.707 176.277 174.600 -0.050 0.000 0.976 345 S CA 1.460 59.581 58.200 -0.131 0.000 0.954 345 S CB -0.751 62.476 63.200 0.045 0.000 0.756 345 S HN 1.310 nan 8.310 nan 0.000 0.535 346 A N 1.633 124.443 122.820 -0.017 0.000 1.940 346 A HA -0.004 5.651 4.320 2.225 0.000 0.221 346 A C 1.852 179.421 177.584 -0.024 0.000 1.190 346 A CA 2.034 54.068 52.037 -0.006 0.000 0.647 346 A CB -1.269 17.734 19.000 0.005 0.000 0.821 346 A HN 0.915 nan 8.150 nan 0.000 0.457 347 T N -6.662 107.863 114.554 -0.047 0.000 2.551 347 T HA 0.544 6.229 4.350 2.225 0.000 0.249 347 T C 0.694 175.352 174.700 -0.070 0.000 0.851 347 T CA 0.098 62.169 62.100 -0.047 0.000 1.149 347 T CB 0.994 69.840 68.868 -0.037 0.000 1.456 347 T HN -0.023 nan 8.240 nan 0.000 0.514 348 E N 0.207 120.370 120.200 -0.061 0.000 2.207 348 E HA 0.128 5.813 4.350 2.225 0.000 0.197 348 E C 2.285 178.841 176.600 -0.073 0.000 0.914 348 E CA 1.074 57.432 56.400 -0.069 0.000 0.914 348 E CB -0.417 29.255 29.700 -0.047 0.000 0.893 348 E HN 0.776 nan 8.360 nan 0.000 0.479 349 T N 1.182 115.704 114.554 -0.052 0.000 2.849 349 T HA -0.090 5.595 4.350 2.225 0.000 0.270 349 T C 1.936 176.604 174.700 -0.053 0.000 1.066 349 T CA 1.032 63.106 62.100 -0.042 0.000 1.130 349 T CB 0.055 68.908 68.868 -0.025 0.000 0.864 349 T HN 0.023 nan 8.240 nan 0.000 0.481 350 R N -0.231 120.226 120.500 -0.073 0.000 2.090 350 R HA 0.188 5.863 4.340 2.225 0.000 0.219 350 R C 2.317 178.516 176.300 -0.169 0.000 1.100 350 R CA 0.336 56.386 56.100 -0.083 0.000 0.991 350 R CB -0.434 29.828 30.300 -0.065 0.000 0.893 350 R HN 0.189 nan 8.270 nan 0.000 0.443 351 L N 1.195 122.261 121.223 -0.261 0.000 2.043 351 L HA -0.223 5.452 4.340 2.225 0.000 0.212 351 L C 1.878 178.595 176.870 -0.256 0.000 1.075 351 L CA 1.771 56.351 54.840 -0.433 0.000 0.752 351 L CB -0.550 41.298 42.059 -0.352 0.000 0.891 351 L HN 0.200 nan 8.230 nan 0.000 0.432 352 L N -1.295 119.840 121.223 -0.146 0.000 2.027 352 L HA -0.170 5.505 4.340 2.225 0.000 0.206 352 L C 2.506 179.339 176.870 -0.062 0.000 1.074 352 L CA 1.603 56.391 54.840 -0.087 0.000 0.745 352 L CB -1.039 40.986 42.059 -0.058 0.000 0.898 352 L HN 0.392 nan 8.230 nan 0.000 0.433 353 L N -0.008 121.188 121.223 -0.045 0.000 2.201 353 L HA -0.145 5.530 4.340 2.225 0.000 0.212 353 L C 2.171 179.039 176.870 -0.002 0.000 1.105 353 L CA 1.495 56.327 54.840 -0.013 0.000 0.775 353 L CB -0.592 41.474 42.059 0.012 0.000 0.913 353 L HN 0.273 nan 8.230 nan 0.000 0.440 354 N N -0.260 118.453 118.700 0.022 0.000 2.173 354 N HA -0.120 5.955 4.740 2.225 0.000 0.184 354 N C 1.503 177.061 175.510 0.080 0.000 1.025 354 N CA 1.572 54.711 53.050 0.147 0.000 0.852 354 N CB -0.223 38.438 38.487 0.289 0.000 0.998 354 N HN 0.532 nan 8.380 nan 0.000 0.427 355 N N 1.226 119.950 118.700 0.039 0.000 2.069 355 N HA -0.148 5.927 4.740 2.225 0.000 0.191 355 N C 1.864 177.309 175.510 -0.109 0.000 1.031 355 N CA 0.629 53.686 53.050 0.012 0.000 0.852 355 N CB -0.144 38.355 38.487 0.020 0.000 1.018 355 N HN 0.052 nan 8.380 nan 0.000 0.423 356 L N 0.798 121.922 121.223 -0.165 0.000 2.013 356 L HA -0.151 5.524 4.340 2.225 0.000 0.212 356 L C 1.926 178.318 176.870 -0.798 0.000 1.073 356 L CA 1.414 56.051 54.840 -0.339 0.000 0.753 356 L CB -0.545 41.378 42.059 -0.227 0.000 0.890 356 L HN 0.163 nan 8.230 nan 0.000 0.432 357 L N -0.871 119.987 121.223 -0.609 0.000 2.079 357 L HA -0.209 5.466 4.340 2.225 0.000 0.210 357 L C 2.203 178.815 176.870 -0.431 0.000 1.081 357 L CA 1.671 56.144 54.840 -0.612 0.000 0.752 357 L CB -0.630 41.319 42.059 -0.183 0.000 0.896 357 L HN 0.262 nan 8.230 nan 0.000 0.433 358 L N -1.093 119.947 121.223 -0.306 0.000 2.622 358 L HA -0.080 5.595 4.340 2.225 0.000 0.233 358 L C 1.508 178.371 176.870 -0.010 0.000 1.156 358 L CA 1.080 55.830 54.840 -0.150 0.000 0.866 358 L CB -0.456 41.466 42.059 -0.227 0.000 0.980 358 L HN 0.494 nan 8.230 nan 0.000 0.448 359 T N -6.492 108.011 114.554 -0.084 0.000 3.040 359 T HA 0.110 5.795 4.350 2.225 0.000 0.266 359 T C 1.363 176.162 174.700 0.166 0.000 1.005 359 T CA -0.200 61.965 62.100 0.109 0.000 0.906 359 T CB -0.289 68.690 68.868 0.184 0.000 1.082 359 T HN 0.146 nan 8.240 nan 0.000 0.531 360 F N 2.029 121.958 119.950 -0.035 0.000 2.259 360 F HA 0.365 6.201 4.527 2.181 0.000 0.298 360 F C 1.840 177.506 175.800 -0.224 0.000 1.088 360 F CA 0.304 58.225 58.000 -0.131 0.000 1.358 360 F CB 0.262 39.212 39.000 -0.084 0.000 1.040 360 F HN 0.519 nan 8.300 nan 0.000 0.505 361 G N -1.209 107.502 108.800 -0.149 0.000 2.650 361 G HA2 0.268 5.562 3.960 2.225 0.000 0.310 361 G HA3 0.268 5.562 3.960 2.225 0.000 0.310 361 G C -1.810 172.819 174.900 -0.451 0.000 1.270 361 G CA -0.467 44.463 45.100 -0.283 0.000 0.810 361 G HN -0.256 nan 8.290 nan 0.000 0.493 362 Q N 0.408 119.960 119.800 -0.413 0.000 2.368 362 Q HA 0.494 6.169 4.340 2.225 0.000 0.263 362 Q C -1.332 174.439 176.000 -0.383 0.000 1.009 362 Q CA -0.435 55.147 55.803 -0.369 0.000 0.818 362 Q CB 1.106 29.691 28.738 -0.256 0.000 1.239 362 Q HN 0.341 nan 8.270 nan 0.000 0.464 363 F N 0.309 120.229 119.950 -0.049 0.000 2.384 363 F HA 0.177 6.049 4.527 2.242 0.000 0.338 363 F C 1.672 177.563 175.800 0.152 0.000 1.103 363 F CA -0.127 57.898 58.000 0.041 0.000 1.157 363 F CB 1.255 40.254 39.000 -0.001 0.000 1.167 363 F HN 0.413 nan 8.300 nan 0.000 0.529 364 S N 0.536 116.495 115.700 0.432 0.000 2.501 364 S HA 0.039 5.844 4.470 2.225 0.000 0.220 364 S C -0.120 174.666 174.600 0.310 0.000 0.997 364 S CA 0.087 58.539 58.200 0.421 0.000 0.919 364 S CB 0.061 63.448 63.200 0.311 0.000 0.778 364 S HN 0.687 nan 8.310 nan 0.000 0.523 365 C N 0.780 120.245 119.300 0.276 0.000 3.247 365 C HA 0.602 6.397 4.460 2.225 0.000 0.375 365 C C -1.973 173.111 174.990 0.157 0.000 1.102 365 C CA -1.165 57.976 59.018 0.205 0.000 1.227 365 C CB 0.068 27.907 27.740 0.166 0.000 1.586 365 C HN 0.351 nan 8.230 nan 0.000 0.544 366 I N 4.875 125.515 120.570 0.118 0.000 2.433 366 I HA 0.510 6.015 4.170 2.225 0.000 0.292 366 I C -0.420 175.695 176.117 -0.003 0.000 1.001 366 I CA -0.292 61.030 61.300 0.037 0.000 1.119 366 I CB 1.662 39.691 38.000 0.047 0.000 1.289 366 I HN 0.611 nan 8.210 nan 0.000 0.438 367 K N 5.508 125.859 120.400 -0.082 0.000 2.413 367 K HA 0.795 6.450 4.320 2.225 0.000 0.257 367 K C -1.009 175.523 176.600 -0.112 0.000 0.946 367 K CA -0.341 55.907 56.287 -0.064 0.000 0.823 367 K CB 1.971 34.432 32.500 -0.064 0.000 1.109 367 K HN 0.860 nan 8.250 nan 0.000 0.427 368 G N 2.343 111.104 108.800 -0.066 0.000 2.690 368 G HA2 0.284 5.579 3.960 2.225 0.000 0.293 368 G HA3 0.284 5.579 3.960 2.225 0.000 0.293 368 G C -1.370 173.523 174.900 -0.012 0.000 1.399 368 G CA -0.938 44.118 45.100 -0.073 0.000 0.890 368 G HN 0.755 nan 8.290 nan 0.000 0.485 369 N N -1.160 117.536 118.700 -0.006 0.000 2.458 369 N HA 0.340 6.415 4.740 2.225 0.000 0.271 369 N C 1.696 177.229 175.510 0.038 0.000 1.210 369 N CA 0.198 53.266 53.050 0.031 0.000 0.978 369 N CB 1.083 39.587 38.487 0.029 0.000 1.206 369 N HN 0.612 nan 8.380 nan 0.000 0.536 370 S N 0.048 115.786 115.700 0.065 0.000 2.451 370 S HA -0.353 5.452 4.470 2.225 0.000 0.272 370 S C 1.779 176.402 174.600 0.038 0.000 1.136 370 S CA 2.080 60.317 58.200 0.061 0.000 1.209 370 S CB -1.423 61.818 63.200 0.069 0.000 1.130 370 S HN 0.584 nan 8.310 nan 0.000 0.440 371 S N 1.960 117.681 115.700 0.036 0.000 2.344 371 S HA -0.129 5.676 4.470 2.225 0.000 0.217 371 S C 2.006 176.625 174.600 0.031 0.000 1.033 371 S CA 1.536 59.760 58.200 0.040 0.000 1.017 371 S CB -0.659 62.569 63.200 0.046 0.000 0.941 371 S HN 0.742 nan 8.310 nan 0.000 0.430 372 E N 0.429 120.632 120.200 0.005 0.000 2.147 372 E HA -0.158 5.526 4.350 2.225 0.000 0.199 372 E C 1.816 178.329 176.600 -0.146 0.000 1.005 372 E CA 1.133 57.489 56.400 -0.073 0.000 0.810 372 E CB -0.136 29.507 29.700 -0.095 0.000 0.736 372 E HN 0.369 nan 8.360 nan 0.000 0.460 373 I N 0.312 120.842 120.570 -0.068 0.000 2.703 373 I HA -0.103 5.402 4.170 2.225 0.000 0.259 373 I C 2.117 178.214 176.117 -0.032 0.000 1.151 373 I CA 0.748 62.014 61.300 -0.056 0.000 1.470 373 I CB -0.600 37.398 38.000 -0.004 0.000 1.112 373 I HN 0.156 nan 8.210 nan 0.000 0.437 374 L N 0.581 121.799 121.223 -0.008 0.000 1.988 374 L HA -0.093 5.582 4.340 2.225 0.000 0.207 374 L C 2.728 179.614 176.870 0.026 0.000 1.071 374 L CA 1.712 56.558 54.840 0.009 0.000 0.744 374 L CB -1.324 40.746 42.059 0.019 0.000 0.893 374 L HN 0.240 nan 8.230 nan 0.000 0.433 375 G N 0.180 109.013 108.800 0.055 0.000 2.547 375 G HA2 -0.285 5.010 3.960 2.225 0.000 0.221 375 G HA3 -0.285 5.010 3.960 2.225 0.000 0.221 375 G C 1.617 176.600 174.900 0.138 0.000 1.140 375 G CA 1.021 46.211 45.100 0.150 0.000 0.760 375 G HN 0.258 nan 8.290 nan 0.000 0.583 376 L N 0.314 121.486 121.223 -0.085 0.000 2.217 376 L HA 0.096 5.771 4.340 2.225 0.000 0.211 376 L C 3.099 180.014 176.870 0.075 0.000 1.107 376 L CA 0.707 55.498 54.840 -0.082 0.000 0.783 376 L CB -0.109 41.807 42.059 -0.239 0.000 0.919 376 L HN 0.319 nan 8.230 nan 0.000 0.442 377 A N -0.872 121.973 122.820 0.043 0.000 2.238 377 A HA -0.024 5.631 4.320 2.225 0.000 0.208 377 A C 0.777 178.384 177.584 0.037 0.000 1.177 377 A CA 0.061 52.121 52.037 0.040 0.000 0.804 377 A CB -0.174 18.836 19.000 0.017 0.000 0.823 377 A HN 0.460 nan 8.150 nan 0.000 0.482 378 E N -3.023 117.211 120.200 0.058 0.000 2.340 378 E HA -0.169 5.516 4.350 2.225 0.000 0.240 378 E C -0.239 176.379 176.600 0.029 0.000 1.154 378 E CA 0.537 56.969 56.400 0.053 0.000 0.717 378 E CB -2.586 27.138 29.700 0.041 0.000 1.250 378 E HN 1.045 nan 8.360 nan 0.000 0.386 395 N N -0.723 117.964 118.700 -0.022 0.000 2.128 395 N HA 0.122 6.197 4.740 2.225 0.000 0.276 395 N C 1.132 176.563 175.510 -0.132 0.000 1.008 395 N CA 1.168 54.199 53.050 -0.032 0.000 0.762 395 N CB -0.277 38.191 38.487 -0.032 0.000 1.811 395 N HN 0.584 nan 8.380 nan 0.000 0.722 396 E N 1.138 121.269 120.200 -0.114 0.000 2.358 396 E HA 0.036 5.721 4.350 2.225 0.000 0.195 396 E C 1.777 178.280 176.600 -0.162 0.000 1.010 396 E CA 0.758 57.075 56.400 -0.139 0.000 0.856 396 E CB -0.328 29.321 29.700 -0.084 0.000 0.795 396 E HN 0.236 nan 8.360 nan 0.000 0.504 397 L N -0.390 120.753 121.223 -0.134 0.000 2.127 397 L HA 0.191 5.866 4.340 2.225 0.000 0.203 397 L C 2.336 179.111 176.870 -0.158 0.000 1.080 397 L CA 1.172 55.943 54.840 -0.115 0.000 0.768 397 L CB -0.197 41.822 42.059 -0.067 0.000 0.924 397 L HN 0.336 nan 8.230 nan 0.000 0.444 398 L N -0.658 120.446 121.223 -0.199 0.000 2.187 398 L HA -0.231 5.444 4.340 2.225 0.000 0.213 398 L C 2.414 178.988 176.870 -0.493 0.000 1.100 398 L CA 0.836 55.523 54.840 -0.255 0.000 0.765 398 L CB -0.466 41.493 42.059 -0.167 0.000 0.904 398 L HN 0.326 nan 8.230 nan 0.000 0.437 399 I N -0.686 119.507 120.570 -0.629 0.000 2.193 399 I HA -0.281 5.224 4.170 2.225 0.000 0.240 399 I C 2.560 178.522 176.117 -0.258 0.000 1.084 399 I CA 1.337 62.288 61.300 -0.580 0.000 1.365 399 I CB -0.665 37.069 38.000 -0.443 0.000 1.064 399 I HN 0.421 nan 8.210 nan 0.000 0.410 400 Q N 0.963 120.651 119.800 -0.187 0.000 2.096 400 Q HA -0.224 5.451 4.340 2.225 0.000 0.204 400 Q C 2.315 178.263 176.000 -0.086 0.000 0.982 400 Q CA 2.227 57.963 55.803 -0.111 0.000 0.850 400 Q CB 0.013 28.697 28.738 -0.091 0.000 0.901 400 Q HN 0.525 nan 8.270 nan 0.000 0.422 401 A N -0.154 122.608 122.820 -0.096 0.000 1.877 401 A HA -0.164 5.491 4.320 2.225 0.000 0.216 401 A C 2.229 179.796 177.584 -0.028 0.000 1.186 401 A CA 1.939 53.944 52.037 -0.053 0.000 0.620 401 A CB -1.008 17.962 19.000 -0.051 0.000 0.822 401 A HN 0.442 nan 8.150 nan 0.000 0.443 402 T N 0.034 114.560 114.554 -0.047 0.000 2.759 402 T HA -0.125 5.560 4.350 2.225 0.000 0.269 402 T C 1.994 176.716 174.700 0.037 0.000 1.042 402 T CA 1.498 63.608 62.100 0.017 0.000 1.140 402 T CB -0.159 68.738 68.868 0.048 0.000 0.864 402 T HN 0.345 nan 8.240 nan 0.000 0.455 403 K N 0.799 121.200 120.400 0.001 0.000 2.032 403 K HA -0.003 5.652 4.320 2.225 0.000 0.209 403 K C 2.260 178.886 176.600 0.043 0.000 1.048 403 K CA 1.122 57.418 56.287 0.014 0.000 0.927 403 K CB -0.667 31.816 32.500 -0.028 0.000 0.712 403 K HN 0.378 nan 8.250 nan 0.000 0.441 404 I N 0.746 121.330 120.570 0.024 0.000 2.118 404 I HA -0.305 5.200 4.170 2.225 0.000 0.241 404 I C 2.332 178.495 176.117 0.077 0.000 1.070 404 I CA 1.212 62.538 61.300 0.043 0.000 1.327 404 I CB -0.303 37.705 38.000 0.014 0.000 1.034 404 I HN -0.113 nan 8.210 nan 0.000 0.405 405 V N 0.769 120.731 119.914 0.080 0.000 2.515 405 V HA -0.257 5.198 4.120 2.225 0.000 0.250 405 V C 2.556 178.753 176.094 0.173 0.000 1.058 405 V CA 1.774 64.157 62.300 0.138 0.000 1.064 405 V CB -0.921 30.984 31.823 0.137 0.000 0.675 405 V HN 0.497 nan 8.190 nan 0.000 0.461 406 A N -0.482 122.421 122.820 0.138 0.000 1.873 406 A HA -0.200 5.455 4.320 2.225 0.000 0.215 406 A C 2.122 179.772 177.584 0.111 0.000 1.186 406 A CA 1.817 53.935 52.037 0.136 0.000 0.616 406 A CB -0.704 18.363 19.000 0.113 0.000 0.823 406 A HN 0.498 nan 8.150 nan 0.000 0.442 407 F N 0.588 120.519 119.950 -0.033 0.000 2.102 407 F HA -0.184 5.686 4.527 2.238 0.000 0.298 407 F C 2.307 178.020 175.800 -0.144 0.000 1.105 407 F CA 2.273 60.224 58.000 -0.082 0.000 1.239 407 F CB -0.066 38.884 39.000 -0.084 0.000 0.991 407 F HN 0.205 nan 8.300 nan 0.000 0.474 408 K N -0.443 119.858 120.400 -0.165 0.000 2.020 408 K HA -0.254 5.401 4.320 2.225 0.000 0.212 408 K C 1.220 177.434 176.600 -0.643 0.000 1.050 408 K CA 2.186 58.200 56.287 -0.455 0.000 0.929 408 K CB -0.488 31.686 32.500 -0.544 0.000 0.714 408 K HN 0.421 nan 8.250 nan 0.000 0.443 409 Y N 0.683 120.918 120.300 -0.107 0.000 2.571 409 Y HA 0.212 6.086 4.550 2.207 0.000 0.275 409 Y C -0.250 175.579 175.900 -0.119 0.000 1.179 409 Y CA -0.529 57.524 58.100 -0.078 0.000 1.242 409 Y CB 0.717 39.193 38.460 0.026 0.000 1.126 409 Y HN -0.079 nan 8.280 nan 0.000 0.524 410 K N 1.268 121.571 120.400 -0.162 0.000 3.156 410 K HA -0.222 5.433 4.320 2.225 0.000 0.266 410 K C -0.032 176.595 176.600 0.045 0.000 0.966 410 K CA 1.110 57.286 56.287 -0.184 0.000 0.719 410 K CB -1.534 30.689 32.500 -0.462 0.000 1.333 410 K HN 0.437 nan 8.250 nan 0.000 0.468 411 T N -1.849 112.774 114.554 0.114 0.000 2.901 411 T HA 0.502 6.187 4.350 2.225 0.000 0.293 411 T C -0.571 174.236 174.700 0.179 0.000 1.084 411 T CA -0.647 61.570 62.100 0.195 0.000 1.008 411 T CB 1.903 70.908 68.868 0.228 0.000 1.170 411 T HN -0.052 nan 8.240 nan 0.000 0.509 412 V N 2.896 122.932 119.914 0.205 0.000 2.488 412 V HA 0.623 6.078 4.120 2.225 0.000 0.277 412 V C 0.641 176.845 176.094 0.183 0.000 1.046 412 V CA -0.230 62.182 62.300 0.187 0.000 0.986 412 V CB 0.528 32.503 31.823 0.255 0.000 0.989 412 V HN 1.026 nan 8.190 nan 0.000 0.475 413 A N 5.419 128.340 122.820 0.168 0.000 2.330 413 A HA 0.835 6.490 4.320 2.225 0.000 0.327 413 A C -0.833 176.849 177.584 0.163 0.000 1.155 413 A CA -0.529 51.597 52.037 0.149 0.000 0.803 413 A CB 1.588 20.668 19.000 0.133 0.000 1.208 413 A HN 0.629 nan 8.150 nan 0.000 0.477 414 V N 1.442 121.434 119.914 0.129 0.000 2.444 414 V HA 0.376 5.830 4.120 2.225 0.000 0.294 414 V C -0.373 175.794 176.094 0.122 0.000 1.022 414 V CA -0.663 61.718 62.300 0.136 0.000 0.850 414 V CB 1.187 33.067 31.823 0.095 0.000 0.992 414 V HN 1.003 nan 8.190 nan 0.000 0.426 415 C N 5.882 125.295 119.300 0.189 0.000 2.281 415 C HA 0.754 6.549 4.460 2.225 0.000 0.325 415 C C 0.972 176.074 174.990 0.186 0.000 1.282 415 C CA -0.101 59.035 59.018 0.197 0.000 1.640 415 C CB 0.153 28.068 27.740 0.292 0.000 2.288 415 C HN 1.063 nan 8.230 nan 0.000 0.507 416 T N 3.308 117.933 114.554 0.118 0.000 2.902 416 T HA 0.885 6.570 4.350 2.225 0.000 0.280 416 T C 0.398 175.162 174.700 0.107 0.000 0.992 416 T CA 0.423 62.578 62.100 0.092 0.000 1.015 416 T CB 1.639 70.543 68.868 0.060 0.000 1.044 416 T HN 1.730 nan 8.240 nan 0.000 0.520 417 G N 0.390 109.239 108.800 0.082 0.000 2.398 417 G HA2 0.131 5.426 3.960 2.225 0.000 0.251 417 G HA3 0.131 5.426 3.960 2.225 0.000 0.251 417 G C 0.198 175.118 174.900 0.034 0.000 1.277 417 G CA 0.168 45.319 45.100 0.085 0.000 0.927 417 G HN 0.809 nan 8.290 nan 0.000 0.477 418 E N -0.834 119.389 120.200 0.038 0.000 2.047 418 E HA 0.134 5.819 4.350 2.225 0.000 0.191 418 E C 0.154 176.576 176.600 -0.296 0.000 0.987 418 E CA 0.622 56.957 56.400 -0.108 0.000 0.799 418 E CB -0.058 29.597 29.700 -0.076 0.000 0.752 418 E HN 0.282 nan 8.360 nan 0.000 0.449 419 F N 1.239 121.120 119.950 -0.115 0.000 2.399 419 F HA 0.307 6.169 4.527 2.224 0.000 0.334 419 F C -0.240 175.313 175.800 -0.412 0.000 1.097 419 F CA -1.095 56.720 58.000 -0.309 0.000 1.076 419 F CB 1.234 39.954 39.000 -0.467 0.000 1.162 419 F HN -0.169 nan 8.300 nan 0.000 0.495 420 D N 2.694 122.938 120.400 -0.259 0.000 2.308 420 D HA 0.344 6.319 4.640 2.225 0.000 0.242 420 D C -0.897 175.222 176.300 -0.302 0.000 1.059 420 D CA -0.201 53.687 54.000 -0.187 0.000 0.830 420 D CB 1.274 42.057 40.800 -0.028 0.000 1.161 420 D HN 0.119 nan 8.370 nan 0.000 0.494 421 F N 1.537 121.572 119.950 0.142 0.000 2.443 421 F HA 0.536 6.398 4.527 2.224 0.000 0.335 421 F C 0.496 176.384 175.800 0.146 0.000 1.104 421 F CA -0.925 57.157 58.000 0.137 0.000 1.013 421 F CB 1.290 40.357 39.000 0.111 0.000 1.136 421 F HN 0.050 nan 8.300 nan 0.000 0.470 422 I N 2.767 123.548 120.570 0.352 0.000 2.468 422 I HA 0.620 6.125 4.170 2.225 0.000 0.285 422 I C -0.591 175.775 176.117 0.415 0.000 1.039 422 I CA -0.842 60.671 61.300 0.355 0.000 1.074 422 I CB 1.612 39.823 38.000 0.351 0.000 1.228 422 I HN 0.673 nan 8.210 nan 0.000 0.436 423 A N 4.117 127.103 122.820 0.276 0.000 2.324 423 A HA 0.515 6.170 4.320 2.225 0.000 0.330 423 A C -0.728 176.826 177.584 -0.049 0.000 1.165 423 A CA -0.466 51.642 52.037 0.120 0.000 0.813 423 A CB 1.139 20.198 19.000 0.099 0.000 1.197 423 A HN 0.714 nan 8.150 nan 0.000 0.484 424 D N 2.565 122.759 120.400 -0.343 0.000 2.485 424 D HA 0.307 6.282 4.640 2.225 0.000 0.229 424 D C 0.879 177.105 176.300 -0.123 0.000 1.101 424 D CA 0.060 53.810 54.000 -0.418 0.000 0.906 424 D CB 0.690 40.907 40.800 -0.972 0.000 1.019 424 D HN 0.571 nan 8.370 nan 0.000 0.516 425 G N 2.040 110.847 108.800 0.013 0.000 3.262 425 G HA2 -0.104 5.191 3.960 2.225 0.000 0.228 425 G HA3 -0.104 5.191 3.960 2.225 0.000 0.228 425 G C 1.367 176.314 174.900 0.080 0.000 1.197 425 G CA 0.656 45.815 45.100 0.098 0.000 0.819 425 G HN 0.514 nan 8.290 nan 0.000 0.531 426 T N -1.249 113.367 114.554 0.103 0.000 2.978 426 T HA 0.083 5.768 4.350 2.225 0.000 0.262 426 T C 1.417 176.260 174.700 0.240 0.000 1.063 426 T CA 0.430 62.658 62.100 0.214 0.000 1.140 426 T CB -0.223 68.832 68.868 0.312 0.000 0.886 426 T HN 0.605 nan 8.240 nan 0.000 0.470 427 I N 2.269 122.938 120.570 0.165 0.000 6.480 427 I HA -0.234 5.271 4.170 2.225 0.000 0.126 427 I C 0.263 176.506 176.117 0.211 0.000 1.824 427 I CA 0.756 62.159 61.300 0.173 0.000 2.046 427 I CB -2.098 36.011 38.000 0.181 0.000 3.493 427 I HN 0.523 nan 8.210 nan 0.000 0.172 428 E N -0.800 119.503 120.200 0.171 0.000 3.426 428 E HA -0.324 5.361 4.350 2.225 0.000 0.291 428 E C 1.148 177.857 176.600 0.182 0.000 0.898 428 E CA 1.236 57.720 56.400 0.141 0.000 0.970 428 E CB -1.595 28.168 29.700 0.105 0.000 1.489 428 E HN 1.515 nan 8.360 nan 0.000 0.461 429 G N 0.875 109.866 108.800 0.319 0.000 2.225 429 G HA2 -0.330 4.965 3.960 2.225 0.000 0.264 429 G HA3 -0.330 4.965 3.960 2.225 0.000 0.264 429 G C -0.071 175.061 174.900 0.388 0.000 1.060 429 G CA 0.825 46.122 45.100 0.328 0.000 0.833 429 G HN 0.220 nan 8.290 nan 0.000 0.498 430 K N -0.258 120.441 120.400 0.498 0.000 2.159 430 K HA 0.648 6.303 4.320 2.225 0.000 0.266 430 K C -0.089 176.823 176.600 0.520 0.000 0.975 430 K CA -0.823 55.675 56.287 0.352 0.000 0.865 430 K CB 1.199 33.811 32.500 0.187 0.000 1.087 430 K HN 0.472 nan 8.250 nan 0.000 0.446 431 Y N -1.445 119.013 120.300 0.264 0.000 2.576 431 Y HA 0.677 6.582 4.550 2.257 0.000 0.346 431 Y C -0.353 175.616 175.900 0.114 0.000 1.018 431 Y CA -1.133 57.087 58.100 0.200 0.000 1.050 431 Y CB 1.378 39.977 38.460 0.231 0.000 1.280 431 Y HN 0.607 nan 8.280 nan 0.000 0.474 432 S N 0.527 116.339 115.700 0.186 0.000 2.840 432 S HA 0.682 6.487 4.470 2.225 0.000 0.307 432 S C -1.129 173.540 174.600 0.114 0.000 1.180 432 S CA -1.158 57.092 58.200 0.084 0.000 0.846 432 S CB 1.278 64.512 63.200 0.057 0.000 1.233 432 S HN 0.691 nan 8.310 nan 0.000 0.548 433 L N 1.442 122.710 121.223 0.075 0.000 3.030 433 L HA 0.599 6.274 4.340 2.225 0.000 0.252 433 L C -0.432 176.470 176.870 0.053 0.000 1.316 433 L CA -0.085 54.797 54.840 0.070 0.000 0.975 433 L CB -0.494 41.606 42.059 0.069 0.000 1.357 433 L HN 0.851 nan 8.230 nan 0.000 0.534 438 N N 1.612 120.355 118.700 0.072 0.000 2.242 438 N HA -0.024 6.051 4.740 2.225 0.000 0.191 438 N C 1.590 177.155 175.510 0.090 0.000 1.005 438 N CA 1.533 54.640 53.050 0.095 0.000 0.877 438 N CB -0.984 37.552 38.487 0.082 0.000 0.983 438 N HN 0.687 nan 8.380 nan 0.000 0.439 439 G N -0.159 108.672 108.800 0.052 0.000 3.284 439 G HA2 0.387 5.682 3.960 2.225 0.000 0.251 439 G HA3 0.387 5.682 3.960 2.225 0.000 0.251 439 G C -0.227 174.671 174.900 -0.003 0.000 0.913 439 G CA 0.299 45.411 45.100 0.020 0.000 1.947 439 G HN 0.417 nan 8.290 nan 0.000 0.635 440 T N 1.137 115.686 114.554 -0.008 0.000 2.977 440 T HA 0.398 6.083 4.350 2.225 0.000 0.346 440 T C 0.796 175.356 174.700 -0.233 0.000 1.140 440 T CA -0.490 61.572 62.100 -0.063 0.000 1.040 440 T CB 0.925 69.794 68.868 0.002 0.000 1.046 440 T HN 0.498 nan 8.240 nan 0.000 0.494 441 S N 1.984 117.528 115.700 -0.259 0.000 2.611 441 S HA 0.114 5.919 4.470 2.225 0.000 0.252 441 S C 1.777 175.955 174.600 -0.703 0.000 1.369 441 S CA -0.678 57.271 58.200 -0.417 0.000 0.975 441 S CB 0.204 63.258 63.200 -0.244 0.000 0.937 441 S HN 0.270 nan 8.310 nan 0.000 0.584 442 V N 2.037 121.507 119.914 -0.740 0.000 2.324 442 V HA -0.195 5.260 4.120 2.225 0.000 0.250 442 V C 2.689 178.599 176.094 -0.306 0.000 1.060 442 V CA 2.437 64.376 62.300 -0.602 0.000 1.042 442 V CB -1.193 30.455 31.823 -0.292 0.000 0.650 442 V HN 1.039 nan 8.190 nan 0.000 0.450 443 E N -1.050 119.015 120.200 -0.224 0.000 2.511 443 E HA -0.140 5.545 4.350 2.225 0.000 0.196 443 E C 0.758 177.291 176.600 -0.111 0.000 1.066 443 E CA 0.806 57.125 56.400 -0.134 0.000 0.871 443 E CB -0.113 29.524 29.700 -0.105 0.000 0.863 443 E HN 0.600 nan 8.360 nan 0.000 0.520 444 D N 1.496 121.812 120.400 -0.140 0.000 2.389 444 D HA 0.117 6.092 4.640 2.225 0.000 0.206 444 D C 1.117 177.380 176.300 -0.060 0.000 1.055 444 D CA -0.099 53.846 54.000 -0.092 0.000 0.856 444 D CB 0.436 41.178 40.800 -0.097 0.000 0.957 444 D HN 0.385 nan 8.370 nan 0.000 0.509 445 I N 0.471 121.000 120.570 -0.068 0.000 2.648 445 I HA 0.198 5.703 4.170 2.225 0.000 0.284 445 I C -2.202 173.904 176.117 -0.018 0.000 1.153 445 I CA -1.655 59.627 61.300 -0.031 0.000 1.426 445 I CB -0.144 37.854 38.000 -0.004 0.000 1.381 445 I HN -0.331 nan 8.210 nan 0.000 0.571 446 P HA -0.080 nan 4.420 nan 0.000 0.263 446 P C -0.685 176.651 177.300 0.059 0.000 1.168 446 P CA -0.103 63.014 63.100 0.028 0.000 0.759 446 P CB 0.426 32.098 31.700 -0.047 0.000 0.782 447 C N 4.119 123.535 119.300 0.193 0.000 2.752 447 C HA 0.545 6.340 4.460 2.225 0.000 0.360 447 C C -0.285 174.904 174.990 0.332 0.000 1.081 447 C CA -0.334 58.838 59.018 0.258 0.000 1.272 447 C CB 0.679 28.527 27.740 0.180 0.000 1.754 447 C HN 0.564 nan 8.230 nan 0.000 0.483 448 V N 3.133 123.260 119.914 0.355 0.000 3.103 448 V HA 1.061 6.516 4.120 2.225 0.000 0.318 448 V C 0.028 176.258 176.094 0.227 0.000 1.114 448 V CA -0.157 62.282 62.300 0.231 0.000 1.020 448 V CB 1.514 33.406 31.823 0.116 0.000 1.085 448 V HN 1.557 nan 8.190 nan 0.000 0.446 449 A N 0.876 123.775 122.820 0.132 0.000 2.454 449 A HA 0.894 6.549 4.320 2.225 0.000 0.302 449 A C -1.121 176.472 177.584 0.015 0.000 1.079 449 A CA -0.694 51.374 52.037 0.052 0.000 0.731 449 A CB 2.195 21.243 19.000 0.079 0.000 1.299 449 A HN 1.453 nan 8.150 nan 0.000 0.413 450 V N 1.986 121.878 119.914 -0.036 0.000 2.445 450 V HA 0.329 5.783 4.120 2.225 0.000 0.283 450 V C -0.328 175.722 176.094 -0.072 0.000 1.014 450 V CA -0.319 61.966 62.300 -0.024 0.000 0.852 450 V CB 1.229 33.048 31.823 -0.008 0.000 1.021 450 V HN 0.950 nan 8.190 nan 0.000 0.435 451 E N 3.558 123.716 120.200 -0.071 0.000 2.191 451 E HA 0.736 6.421 4.350 2.225 0.000 0.278 451 E C 0.137 176.635 176.600 -0.170 0.000 0.972 451 E CA -0.165 56.099 56.400 -0.227 0.000 0.804 451 E CB 2.014 31.593 29.700 -0.203 0.000 1.110 451 E HN 0.680 nan 8.360 nan 0.000 0.394 452 A N 3.466 126.152 122.820 -0.222 0.000 2.630 452 A HA 0.490 6.144 4.320 2.225 0.000 0.287 452 A C 0.586 178.079 177.584 -0.151 0.000 1.040 452 A CA 0.404 52.358 52.037 -0.139 0.000 0.971 452 A CB 0.111 19.047 19.000 -0.106 0.000 1.241 452 A HN 0.962 nan 8.150 nan 0.000 0.558 453 G N 0.763 109.430 108.800 -0.222 0.000 2.750 453 G HA2 -0.115 5.179 3.960 2.225 0.000 0.228 453 G HA3 -0.115 5.179 3.960 2.225 0.000 0.228 453 G C -2.722 172.070 174.900 -0.180 0.000 1.367 453 G CA -0.293 44.695 45.100 -0.187 0.000 0.871 453 G HN 0.513 nan 8.290 nan 0.000 0.560 454 P HA 0.617 nan 4.420 nan 0.000 0.281 454 P C 0.342 177.585 177.300 -0.096 0.000 1.252 454 P CA 0.816 63.852 63.100 -0.106 0.000 0.778 454 P CB 0.692 32.347 31.700 -0.074 0.000 0.895 466 C N 3.168 122.413 119.300 -0.093 0.000 2.460 466 C HA 0.213 6.008 4.460 2.225 0.000 0.291 466 C C 2.942 177.918 174.990 -0.022 0.000 1.493 466 C CA 1.749 60.720 59.018 -0.079 0.000 1.748 466 C CB -1.706 25.957 27.740 -0.130 0.000 1.656 466 C HN 0.431 nan 8.230 nan 0.000 0.576 467 S N 1.046 116.772 115.700 0.043 0.000 2.399 467 S HA -0.176 5.629 4.470 2.225 0.000 0.231 467 S C 1.607 175.957 174.600 -0.418 0.000 1.022 467 S CA 1.355 59.533 58.200 -0.035 0.000 0.983 467 S CB -0.538 62.904 63.200 0.403 0.000 0.803 467 S HN 0.623 nan 8.310 nan 0.000 0.480 468 L N 2.853 123.604 121.223 -0.788 0.000 2.056 468 L HA 0.174 5.849 4.340 2.225 0.000 0.207 468 L C 2.346 179.022 176.870 -0.323 0.000 1.078 468 L CA 1.888 56.227 54.840 -0.836 0.000 0.749 468 L CB -1.644 39.969 42.059 -0.742 0.000 0.901 468 L HN 0.315 nan 8.230 nan 0.000 0.433 469 G N -1.435 107.243 108.800 -0.203 0.000 2.446 469 G HA2 -0.272 5.023 3.960 2.225 0.000 0.217 469 G HA3 -0.272 5.023 3.960 2.225 0.000 0.217 469 G C 1.598 176.453 174.900 -0.074 0.000 1.168 469 G CA 0.987 46.024 45.100 -0.105 0.000 0.771 469 G HN 0.482 nan 8.290 nan 0.000 0.551 470 S N 0.143 115.818 115.700 -0.042 0.000 2.368 470 S HA -0.103 5.702 4.470 2.225 0.000 0.224 470 S C 2.583 177.179 174.600 -0.006 0.000 1.029 470 S CA 1.691 59.910 58.200 0.032 0.000 0.988 470 S CB -0.487 62.793 63.200 0.134 0.000 0.838 470 S HN 0.469 nan 8.310 nan 0.000 0.462 471 T N 3.006 117.530 114.554 -0.050 0.000 2.622 471 T HA -0.059 5.626 4.350 2.225 0.000 0.266 471 T C 1.753 176.452 174.700 -0.003 0.000 1.047 471 T CA 1.442 63.532 62.100 -0.017 0.000 1.159 471 T CB -0.549 68.311 68.868 -0.014 0.000 0.863 471 T HN 0.329 nan 8.240 nan 0.000 0.422 472 I N 1.414 121.970 120.570 -0.024 0.000 2.264 472 I HA -0.213 5.292 4.170 2.225 0.000 0.248 472 I C 2.922 179.051 176.117 0.021 0.000 1.111 472 I CA 1.054 62.358 61.300 0.008 0.000 1.382 472 I CB -0.633 37.368 38.000 0.002 0.000 1.060 472 I HN 0.212 nan 8.210 nan 0.000 0.418 473 A N 0.270 123.089 122.820 -0.000 0.000 1.851 473 A HA -0.267 5.388 4.320 2.225 0.000 0.216 473 A C 2.476 180.076 177.584 0.026 0.000 1.195 473 A CA 2.004 54.041 52.037 0.001 0.000 0.622 473 A CB -1.390 17.575 19.000 -0.057 0.000 0.831 473 A HN 0.531 nan 8.150 nan 0.000 0.444 474 C N -0.760 118.555 119.300 0.026 0.000 2.403 474 C HA -0.156 5.639 4.460 2.225 0.000 0.279 474 C C 2.923 177.936 174.990 0.038 0.000 1.269 474 C CA 1.480 60.521 59.018 0.037 0.000 1.774 474 C CB -1.165 26.597 27.740 0.035 0.000 1.993 474 C HN 0.561 nan 8.230 nan 0.000 0.496 475 M N 0.009 119.635 119.600 0.042 0.000 2.115 475 M HA 0.032 5.847 4.480 2.225 0.000 0.261 475 M C 2.090 178.423 176.300 0.056 0.000 1.079 475 M CA 1.636 56.965 55.300 0.049 0.000 1.143 475 M CB -1.277 31.357 32.600 0.058 0.000 1.332 475 M HN 0.306 nan 8.290 nan 0.000 0.421 476 I N 0.247 120.855 120.570 0.064 0.000 2.194 476 I HA -0.231 5.274 4.170 2.225 0.000 0.246 476 I C 2.583 178.749 176.117 0.083 0.000 1.093 476 I CA 1.443 62.787 61.300 0.074 0.000 1.355 476 I CB -1.316 36.733 38.000 0.081 0.000 1.046 476 I HN 0.347 nan 8.210 nan 0.000 0.413 477 G N 1.006 109.856 108.800 0.084 0.000 2.514 477 G HA2 -0.239 5.056 3.960 2.225 0.000 0.217 477 G HA3 -0.239 5.056 3.960 2.225 0.000 0.217 477 G C 1.726 176.709 174.900 0.139 0.000 1.198 477 G CA 0.963 46.132 45.100 0.115 0.000 0.780 477 G HN 0.502 nan 8.290 nan 0.000 0.565 478 G N -0.259 108.568 108.800 0.045 0.000 2.448 478 G HA2 -0.066 5.229 3.960 2.225 0.000 0.219 478 G HA3 -0.066 5.229 3.960 2.225 0.000 0.219 478 G C 0.964 175.854 174.900 -0.017 0.000 1.127 478 G CA 0.200 45.257 45.100 -0.073 0.000 0.766 478 G HN 0.371 nan 8.290 nan 0.000 0.552 479 Q N 1.348 121.187 119.800 0.064 0.000 2.262 479 Q HA 0.117 5.792 4.340 2.225 0.000 0.298 479 Q C -2.128 173.956 176.000 0.139 0.000 1.083 479 Q CA -0.551 55.300 55.803 0.081 0.000 0.962 479 Q CB 1.054 29.835 28.738 0.072 0.000 1.104 479 Q HN 0.270 nan 8.270 nan 0.000 0.376 480 P HA 0.137 nan 4.420 nan 0.000 0.283 480 P C 0.584 177.923 177.300 0.066 0.000 1.278 480 P CA -0.482 62.705 63.100 0.145 0.000 0.834 480 P CB 0.754 32.527 31.700 0.121 0.000 1.150 481 S N 0.195 115.918 115.700 0.038 0.000 2.409 481 S HA -0.250 5.555 4.470 2.225 0.000 0.237 481 S C 0.919 175.520 174.600 0.003 0.000 1.060 481 S CA 2.112 60.313 58.200 0.002 0.000 1.052 481 S CB -0.730 62.466 63.200 -0.007 0.000 0.871 481 S HN 0.536 nan 8.310 nan 0.000 0.465 482 E N 0.263 120.474 120.200 0.018 0.000 2.476 482 E HA 0.337 6.022 4.350 2.225 0.000 0.196 482 E C 1.032 177.651 176.600 0.031 0.000 1.029 482 E CA 0.288 56.700 56.400 0.019 0.000 0.896 482 E CB 0.083 29.796 29.700 0.021 0.000 1.012 482 E HN 0.477 nan 8.360 nan 0.000 0.475 483 G N 0.997 109.818 108.800 0.036 0.000 2.679 483 G HA2 0.171 5.466 3.960 2.225 0.000 0.202 483 G HA3 0.171 5.466 3.960 2.225 0.000 0.202 483 G C -0.476 174.459 174.900 0.058 0.000 1.566 483 G CA -0.441 44.691 45.100 0.054 0.000 1.074 483 G HN 0.238 nan 8.290 nan 0.000 0.564 484 N N -2.046 116.697 118.700 0.073 0.000 2.537 484 N HA 0.207 6.282 4.740 2.225 0.000 0.281 484 N C 0.508 176.051 175.510 0.054 0.000 1.097 484 N CA -0.600 52.480 53.050 0.050 0.000 0.964 484 N CB 1.698 40.207 38.487 0.037 0.000 1.588 484 N HN 0.270 nan 8.380 nan 0.000 0.511 485 L N 3.787 125.040 121.223 0.050 0.000 2.042 485 L HA 0.064 5.739 4.340 2.225 0.000 0.210 485 L C 1.473 178.442 176.870 0.165 0.000 1.076 485 L CA 1.824 56.718 54.840 0.091 0.000 0.749 485 L CB -0.585 41.520 42.059 0.078 0.000 0.893 485 L HN 0.742 nan 8.230 nan 0.000 0.432 486 F N -0.358 119.561 119.950 -0.052 0.000 2.098 486 F HA -0.169 5.693 4.527 2.226 0.000 0.294 486 F C 2.609 178.416 175.800 0.011 0.000 1.107 486 F CA 1.767 59.742 58.000 -0.043 0.000 1.234 486 F CB -0.784 38.151 39.000 -0.107 0.000 1.002 486 F HN 0.235 nan 8.300 nan 0.000 0.472 487 H N 0.379 119.400 119.070 -0.081 0.000 2.265 487 H HA -0.135 5.757 4.556 2.226 0.000 0.295 487 H C 2.441 177.710 175.328 -0.099 0.000 1.084 487 H CA 1.504 57.445 56.048 -0.179 0.000 1.261 487 H CB -1.362 28.358 29.762 -0.069 0.000 1.360 487 H HN 0.320 nan 8.280 nan 0.000 0.487 488 A N 0.762 123.652 122.820 0.116 0.000 1.971 488 A HA -0.199 5.456 4.320 2.225 0.000 0.222 488 A C 2.892 180.517 177.584 0.070 0.000 1.182 488 A CA 2.384 54.473 52.037 0.087 0.000 0.649 488 A CB -0.981 18.072 19.000 0.088 0.000 0.818 488 A HN 0.256 nan 8.150 nan 0.000 0.458 489 V N -0.779 119.176 119.914 0.069 0.000 2.302 489 V HA -0.190 5.265 4.120 2.225 0.000 0.243 489 V C 2.528 178.640 176.094 0.030 0.000 1.036 489 V CA 1.647 63.992 62.300 0.075 0.000 1.020 489 V CB -0.966 30.946 31.823 0.149 0.000 0.657 489 V HN 0.365 nan 8.190 nan 0.000 0.453 490 V N 0.822 120.696 119.914 -0.067 0.000 2.250 490 V HA -0.365 5.090 4.120 2.225 0.000 0.250 490 V C 2.801 178.902 176.094 0.013 0.000 1.060 490 V CA 2.382 64.631 62.300 -0.085 0.000 1.030 490 V CB -1.463 30.218 31.823 -0.237 0.000 0.643 490 V HN 0.562 nan 8.190 nan 0.000 0.445 491 A N 0.655 123.494 122.820 0.031 0.000 1.859 491 A HA -0.255 5.400 4.320 2.225 0.000 0.218 491 A C 2.495 180.160 177.584 0.136 0.000 1.209 491 A CA 2.643 54.740 52.037 0.100 0.000 0.639 491 A CB -1.624 17.426 19.000 0.083 0.000 0.835 491 A HN 0.605 nan 8.150 nan 0.000 0.450 492 G N -1.079 107.777 108.800 0.095 0.000 2.503 492 G HA2 -0.169 5.126 3.960 2.225 0.000 0.221 492 G HA3 -0.169 5.126 3.960 2.225 0.000 0.221 492 G C 1.453 176.412 174.900 0.098 0.000 1.131 492 G CA 1.563 46.715 45.100 0.086 0.000 0.756 492 G HN 0.459 nan 8.290 nan 0.000 0.572 493 V N 0.843 120.811 119.914 0.091 0.000 2.591 493 V HA -0.065 5.390 4.120 2.225 0.000 0.249 493 V C 2.829 178.993 176.094 0.117 0.000 1.053 493 V CA 1.283 63.645 62.300 0.103 0.000 1.068 493 V CB -0.285 31.584 31.823 0.076 0.000 0.689 493 V HN 0.235 nan 8.190 nan 0.000 0.462 494 M N -0.369 119.309 119.600 0.129 0.000 2.315 494 M HA -0.157 5.658 4.480 2.225 0.000 0.264 494 M C 2.261 178.601 176.300 0.066 0.000 1.075 494 M CA 1.759 57.170 55.300 0.185 0.000 1.093 494 M CB -1.305 31.501 32.600 0.344 0.000 1.251 494 M HN 0.242 nan 8.290 nan 0.000 0.449 495 L N -0.861 120.393 121.223 0.053 0.000 2.107 495 L HA -0.394 5.281 4.340 2.225 0.000 0.240 495 L C 2.634 179.348 176.870 -0.260 0.000 1.115 495 L CA 2.440 57.069 54.840 -0.351 0.000 0.840 495 L CB -0.859 41.166 42.059 -0.057 0.000 0.935 495 L HN 0.304 nan 8.230 nan 0.000 0.449 496 Y N 0.328 120.534 120.300 -0.156 0.000 2.114 496 Y HA -0.360 5.526 4.550 2.227 0.000 0.282 496 Y C 2.638 178.466 175.900 -0.120 0.000 1.165 496 Y CA 2.466 60.495 58.100 -0.118 0.000 1.148 496 Y CB -0.214 38.217 38.460 -0.049 0.000 0.972 496 Y HN 0.124 nan 8.280 nan 0.000 0.504 497 K N 0.160 120.519 120.400 -0.069 0.000 2.097 497 K HA -0.038 5.617 4.320 2.225 0.000 0.205 497 K C 2.169 178.654 176.600 -0.192 0.000 1.050 497 K CA 1.207 57.426 56.287 -0.114 0.000 0.938 497 K CB -0.646 31.845 32.500 -0.016 0.000 0.718 497 K HN 0.367 nan 8.250 nan 0.000 0.442 498 A N 0.402 123.071 122.820 -0.253 0.000 1.898 498 A HA -0.021 5.634 4.320 2.225 0.000 0.216 498 A C 2.234 179.593 177.584 -0.375 0.000 1.181 498 A CA 1.758 53.594 52.037 -0.336 0.000 0.620 498 A CB -0.915 17.714 19.000 -0.619 0.000 0.819 498 A HN 0.336 nan 8.150 nan 0.000 0.442 499 A N -0.532 122.025 122.820 -0.439 0.000 2.225 499 A HA 0.231 5.886 4.320 2.225 0.000 0.215 499 A C 2.046 179.432 177.584 -0.331 0.000 1.164 499 A CA 1.536 53.348 52.037 -0.375 0.000 0.710 499 A CB -0.981 17.791 19.000 -0.380 0.000 0.780 499 A HN 0.620 nan 8.150 nan 0.000 0.473 500 G N -0.394 108.229 108.800 -0.296 0.000 2.499 500 G HA2 0.070 5.365 3.960 2.225 0.000 0.213 500 G HA3 0.070 5.365 3.960 2.225 0.000 0.213 500 G C 1.796 176.672 174.900 -0.041 0.000 1.230 500 G CA 1.649 46.647 45.100 -0.171 0.000 0.813 500 G HN 0.698 nan 8.290 nan 0.000 0.542 501 K N 0.909 121.268 120.400 -0.068 0.000 2.052 501 K HA -0.106 5.549 4.320 2.225 0.000 0.215 501 K C 2.403 178.985 176.600 -0.030 0.000 1.053 501 K CA 1.867 58.130 56.287 -0.039 0.000 0.934 501 K CB -1.058 31.410 32.500 -0.054 0.000 0.717 501 K HN 0.431 nan 8.250 nan 0.000 0.450 502 I N 0.453 120.976 120.570 -0.077 0.000 2.127 502 I HA -0.256 5.249 4.170 2.225 0.000 0.241 502 I C 3.028 179.113 176.117 -0.054 0.000 1.075 502 I CA 1.409 62.666 61.300 -0.072 0.000 1.334 502 I CB -0.501 37.433 38.000 -0.110 0.000 1.040 502 I HN 0.455 nan 8.210 nan 0.000 0.405 503 A N 0.562 123.326 122.820 -0.094 0.000 1.972 503 A HA -0.225 5.430 4.320 2.225 0.000 0.219 503 A C 2.488 180.137 177.584 0.109 0.000 1.169 503 A CA 2.022 53.993 52.037 -0.109 0.000 0.635 503 A CB -0.753 17.997 19.000 -0.418 0.000 0.810 503 A HN 0.541 nan 8.150 nan 0.000 0.446 504 S N -0.117 115.718 115.700 0.225 0.000 2.399 504 S HA -0.208 5.597 4.470 2.225 0.000 0.231 504 S C 1.637 176.299 174.600 0.102 0.000 1.022 504 S CA 1.615 59.961 58.200 0.243 0.000 0.983 504 S CB -0.382 62.889 63.200 0.119 0.000 0.803 504 S HN 0.682 nan 8.310 nan 0.000 0.480 505 E N 0.917 121.150 120.200 0.055 0.000 2.076 505 E HA 0.035 5.720 4.350 2.225 0.000 0.190 505 E C 1.849 178.463 176.600 0.024 0.000 0.979 505 E CA 0.891 57.305 56.400 0.023 0.000 0.807 505 E CB -0.003 29.700 29.700 0.005 0.000 0.761 505 E HN 0.591 nan 8.360 nan 0.000 0.454 506 K N 0.528 120.942 120.400 0.024 0.000 2.404 506 K HA 0.092 5.747 4.320 2.225 0.000 0.194 506 K C 0.701 177.316 176.600 0.025 0.000 1.023 506 K CA -0.109 56.185 56.287 0.012 0.000 1.094 506 K CB 0.133 32.628 32.500 -0.009 0.000 0.841 506 K HN 0.194 nan 8.250 nan 0.000 0.523 507 C N -0.623 118.714 119.300 0.062 0.000 2.396 507 C HA 0.371 6.166 4.460 2.225 0.000 0.359 507 C C 0.833 175.853 174.990 0.050 0.000 1.307 507 C CA -0.834 58.232 59.018 0.080 0.000 2.392 507 C CB 0.596 28.454 27.740 0.196 0.000 2.245 507 C HN 0.320 nan 8.230 nan 0.000 0.615 508 N N -0.085 118.640 118.700 0.042 0.000 2.194 508 N HA 0.381 6.456 4.740 2.225 0.000 0.231 508 N C 0.311 175.831 175.510 0.016 0.000 1.247 508 N CA 0.764 53.827 53.050 0.021 0.000 0.884 508 N CB 1.262 39.756 38.487 0.011 0.000 1.146 508 N HN 1.089 nan 8.380 nan 0.000 0.516 509 G N -0.383 108.436 108.800 0.031 0.000 2.344 509 G HA2 0.021 5.316 3.960 2.225 0.000 0.282 509 G HA3 0.021 5.316 3.960 2.225 0.000 0.282 509 G C -0.016 174.912 174.900 0.046 0.000 1.281 509 G CA -0.194 44.915 45.100 0.015 0.000 0.877 509 G HN -0.011 nan 8.290 nan 0.000 0.494 510 S N -0.115 115.597 115.700 0.021 0.000 2.335 510 S HA 0.071 5.876 4.470 2.225 0.000 0.217 510 S C 2.528 177.173 174.600 0.075 0.000 1.032 510 S CA 2.114 60.337 58.200 0.039 0.000 0.985 510 S CB -0.925 62.270 63.200 -0.008 0.000 0.896 510 S HN 1.380 nan 8.310 nan 0.000 0.445 511 G N 2.421 111.240 108.800 0.032 0.000 2.628 511 G HA2 -0.316 4.979 3.960 2.225 0.000 0.217 511 G HA3 -0.316 4.979 3.960 2.225 0.000 0.217 511 G C 1.730 176.650 174.900 0.032 0.000 1.240 511 G CA 1.984 47.095 45.100 0.019 0.000 0.792 511 G HN 0.663 nan 8.290 nan 0.000 0.593 512 S N 0.276 116.000 115.700 0.040 0.000 2.400 512 S HA -0.142 5.663 4.470 2.225 0.000 0.232 512 S C 2.130 176.758 174.600 0.047 0.000 1.025 512 S CA 1.575 59.795 58.200 0.033 0.000 0.993 512 S CB -0.530 62.688 63.200 0.030 0.000 0.808 512 S HN 0.403 nan 8.310 nan 0.000 0.478 513 F N 2.275 122.203 119.950 -0.037 0.000 2.171 513 F HA -0.063 5.799 4.527 2.224 0.000 0.300 513 F C 2.615 178.398 175.800 -0.030 0.000 1.090 513 F CA 1.753 59.728 58.000 -0.042 0.000 1.293 513 F CB -0.594 38.373 39.000 -0.056 0.000 1.013 513 F HN 0.268 nan 8.300 nan 0.000 0.486 514 Q N -0.108 119.657 119.800 -0.059 0.000 1.993 514 Q HA -0.204 5.471 4.340 2.225 0.000 0.202 514 Q C 2.464 178.433 176.000 -0.052 0.000 0.984 514 Q CA 2.439 58.172 55.803 -0.116 0.000 0.837 514 Q CB -0.569 28.114 28.738 -0.092 0.000 0.902 514 Q HN 0.434 nan 8.270 nan 0.000 0.423 515 V N 0.442 120.341 119.914 -0.026 0.000 2.407 515 V HA -0.207 5.248 4.120 2.225 0.000 0.248 515 V C 1.785 177.835 176.094 -0.074 0.000 1.055 515 V CA 2.031 64.323 62.300 -0.014 0.000 1.049 515 V CB -0.372 31.445 31.823 -0.009 0.000 0.662 515 V HN 0.384 nan 8.190 nan 0.000 0.455 516 E N 0.109 120.232 120.200 -0.127 0.000 2.150 516 E HA -0.172 5.513 4.350 2.225 0.000 0.193 516 E C 2.111 178.575 176.600 -0.228 0.000 0.985 516 E CA 1.611 57.919 56.400 -0.152 0.000 0.814 516 E CB -0.364 29.255 29.700 -0.134 0.000 0.752 516 E HN 0.697 nan 8.360 nan 0.000 0.466 517 L N 0.649 121.649 121.223 -0.372 0.000 2.017 517 L HA -0.170 5.505 4.340 2.225 0.000 0.208 517 L C 2.352 179.107 176.870 -0.191 0.000 1.073 517 L CA 1.091 55.692 54.840 -0.397 0.000 0.745 517 L CB -0.135 41.610 42.059 -0.524 0.000 0.894 517 L HN 0.066 nan 8.230 nan 0.000 0.432 518 I N -0.463 120.051 120.570 -0.093 0.000 2.252 518 I HA -0.287 5.218 4.170 2.225 0.000 0.245 518 I C 2.032 178.124 176.117 -0.042 0.000 1.102 518 I CA 1.155 62.415 61.300 -0.065 0.000 1.385 518 I CB -0.413 37.561 38.000 -0.042 0.000 1.064 518 I HN 0.296 nan 8.210 nan 0.000 0.414 519 D N 1.029 121.398 120.400 -0.051 0.000 2.104 519 D HA -0.162 5.813 4.640 2.225 0.000 0.194 519 D C 2.250 178.560 176.300 0.017 0.000 0.994 519 D CA 1.676 55.667 54.000 -0.015 0.000 0.830 519 D CB -0.154 40.620 40.800 -0.043 0.000 0.959 519 D HN 0.322 nan 8.370 nan 0.000 0.452 520 A N 0.344 123.126 122.820 -0.064 0.000 1.933 520 A HA -0.120 5.535 4.320 2.225 0.000 0.218 520 A C 2.416 179.935 177.584 -0.109 0.000 1.175 520 A CA 0.870 52.849 52.037 -0.096 0.000 0.628 520 A CB -0.757 18.143 19.000 -0.166 0.000 0.814 520 A HN 0.232 nan 8.150 nan 0.000 0.444 521 L N -2.139 119.022 121.223 -0.103 0.000 2.042 521 L HA -0.226 5.449 4.340 2.225 0.000 0.210 521 L C 2.572 179.420 176.870 -0.035 0.000 1.076 521 L CA 2.000 56.784 54.840 -0.093 0.000 0.749 521 L CB -0.592 41.432 42.059 -0.059 0.000 0.893 521 L HN 0.627 nan 8.230 nan 0.000 0.432 522 Y N 0.674 120.924 120.300 -0.083 0.000 2.145 522 Y HA -0.246 5.638 4.550 2.225 0.000 0.286 522 Y C 2.724 178.601 175.900 -0.038 0.000 1.145 522 Y CA 1.594 59.662 58.100 -0.054 0.000 1.148 522 Y CB -0.060 38.369 38.460 -0.051 0.000 0.981 522 Y HN -0.035 nan 8.280 nan 0.000 0.507 523 R N -0.785 119.735 120.500 0.035 0.000 2.148 523 R HA -0.083 5.592 4.340 2.225 0.000 0.223 523 R C 1.967 178.222 176.300 -0.074 0.000 1.088 523 R CA 0.950 57.036 56.100 -0.022 0.000 0.985 523 R CB -0.348 29.991 30.300 0.065 0.000 0.880 523 R HN 0.304 nan 8.270 nan 0.000 0.451 524 L N 0.947 122.123 121.223 -0.079 0.000 2.156 524 L HA -0.094 5.581 4.340 2.225 0.000 0.208 524 L C 2.239 179.141 176.870 0.053 0.000 1.095 524 L CA 2.017 56.830 54.840 -0.046 0.000 0.770 524 L CB -0.688 41.228 42.059 -0.237 0.000 0.914 524 L HN 0.250 nan 8.230 nan 0.000 0.439 525 T N -4.461 110.068 114.554 -0.042 0.000 2.978 525 T HA -0.080 5.605 4.350 2.225 0.000 0.262 525 T C 2.083 176.742 174.700 -0.068 0.000 1.063 525 T CA 0.392 62.486 62.100 -0.011 0.000 1.140 525 T CB -0.091 68.741 68.868 -0.061 0.000 0.886 525 T HN 0.052 nan 8.240 nan 0.000 0.470 526 R N 2.632 123.025 120.500 -0.179 0.000 2.062 526 R HA 0.049 5.724 4.340 2.225 0.000 0.231 526 R C 1.384 177.645 176.300 -0.065 0.000 1.136 526 R CA 1.344 57.345 56.100 -0.165 0.000 0.948 526 R CB -0.629 29.509 30.300 -0.270 0.000 0.845 526 R HN 0.828 nan 8.270 nan 0.000 0.430 527 E N 1.566 121.749 120.200 -0.029 0.000 1.775 527 E HA -0.009 5.676 4.350 2.225 0.000 0.266 527 E C -0.560 176.069 176.600 0.048 0.000 1.191 527 E CA -0.197 56.211 56.400 0.013 0.000 1.048 527 E CB -0.262 29.458 29.700 0.033 0.000 1.081 527 E HN -0.031 nan 8.360 nan 0.000 0.434 528 N N 3.572 122.281 118.700 0.014 0.000 2.971 528 N HA -0.026 6.049 4.740 2.225 0.000 0.294 528 N C -1.068 174.415 175.510 -0.045 0.000 1.210 528 N CA 0.093 53.151 53.050 0.013 0.000 1.157 528 N CB 0.120 38.597 38.487 -0.017 0.000 1.450 528 N HN 0.540 nan 8.380 nan 0.000 0.527 529 T N -0.052 114.475 114.554 -0.046 0.000 3.209 529 T HA 0.342 6.027 4.350 2.225 0.000 0.366 529 T C -2.203 172.244 174.700 -0.423 0.000 1.293 529 T CA -1.493 60.511 62.100 -0.161 0.000 1.417 529 T CB 1.689 70.516 68.868 -0.069 0.000 1.013 529 T HN -0.006 nan 8.240 nan 0.000 0.572 530 P HA 0.075 nan 4.420 nan 0.000 0.222 530 P C 1.992 178.774 177.300 -0.863 0.000 1.147 530 P CA 0.556 62.732 63.100 -1.539 0.000 0.790 530 P CB -0.181 30.831 31.700 -1.146 0.000 0.780 531 V N -0.052 119.591 119.914 -0.452 0.000 2.982 531 V HA -0.181 5.274 4.120 2.225 0.000 0.265 531 V C 1.853 177.857 176.094 -0.149 0.000 1.122 531 V CA 2.633 64.788 62.300 -0.242 0.000 1.143 531 V CB -1.532 30.195 31.823 -0.160 0.000 0.726 531 V HN 0.332 nan 8.190 nan 0.000 0.507 532 T N -4.890 109.582 114.554 -0.136 0.000 3.252 532 T HA 0.278 5.963 4.350 2.225 0.000 0.286 532 T C -0.335 174.507 174.700 0.237 0.000 1.013 532 T CA -0.578 61.548 62.100 0.042 0.000 0.914 532 T CB -0.385 68.524 68.868 0.069 0.000 1.131 532 T HN 0.402 nan 8.240 nan 0.000 0.529 533 W N 0.869 122.150 121.300 -0.032 0.000 2.381 533 W HA 0.751 6.745 4.660 2.224 0.000 0.329 533 W C 1.409 177.908 176.519 -0.034 0.000 1.157 533 W CA -1.649 55.675 57.345 -0.034 0.000 1.240 533 W CB 1.062 30.499 29.460 -0.037 0.000 1.199 533 W HN 0.230 nan 8.180 nan 0.000 0.579 534 A N 3.265 126.174 122.820 0.148 0.000 2.076 534 A HA -0.060 5.595 4.320 2.225 0.000 0.220 534 A C -1.398 176.212 177.584 0.044 0.000 1.160 534 A CA 1.203 53.273 52.037 0.055 0.000 0.653 534 A CB -1.774 17.220 19.000 -0.010 0.000 0.801 534 A HN 0.373 nan 8.150 nan 0.000 0.455 535 P HA 0.607 nan 4.420 nan 0.000 0.298 535 P C -1.128 176.202 177.300 0.050 0.000 1.341 535 P CA -0.451 62.669 63.100 0.033 0.000 0.988 535 P CB 1.626 33.337 31.700 0.018 0.000 1.265 536 K N 1.793 122.204 120.400 0.019 0.000 2.293 536 K HA 0.456 6.111 4.320 2.225 0.000 0.267 536 K C -0.717 175.895 176.600 0.020 0.000 1.010 536 K CA -0.770 55.530 56.287 0.023 0.000 0.875 536 K CB 0.427 32.941 32.500 0.022 0.000 1.106 536 K HN 0.561 nan 8.250 nan 0.000 0.450 537 L N 3.182 124.412 121.223 0.011 0.000 2.290 537 L HA 0.597 6.272 4.340 2.225 0.000 0.284 537 L C 0.659 177.516 176.870 -0.021 0.000 1.078 537 L CA 0.553 55.388 54.840 -0.008 0.000 0.815 537 L CB 1.123 43.163 42.059 -0.030 0.000 1.162 537 L HN 0.980 nan 8.230 nan 0.000 0.435 538 T N 0.922 115.467 114.554 -0.015 0.000 2.573 538 T HA 0.516 6.201 4.350 2.225 0.000 0.259 538 T C -0.466 174.192 174.700 -0.070 0.000 0.886 538 T CA -0.710 61.387 62.100 -0.005 0.000 1.110 538 T CB 0.856 69.772 68.868 0.080 0.000 1.421 538 T HN 0.494 nan 8.240 nan 0.000 0.523 539 H N 0.431 119.563 119.070 0.103 0.000 2.469 539 H HA 0.674 6.565 4.556 2.224 0.000 0.342 539 H C 0.607 176.012 175.328 0.128 0.000 1.115 539 H CA 0.023 56.141 56.048 0.116 0.000 1.204 539 H CB 1.407 31.225 29.762 0.094 0.000 1.492 539 H HN 1.140 nan 8.280 nan 0.000 0.499 540 T N 0.000 114.738 114.554 0.307 0.000 3.816 540 T HA 0.000 5.685 4.350 2.225 0.000 0.228 540 T CA 0.000 62.248 62.100 0.247 0.000 1.349 540 T CB 0.000 69.055 68.868 0.312 0.000 0.612 540 T HN 0.000 nan 8.240 nan 0.000 0.658