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 1j37_1_A DATA FIRST_RESID 23 DATA SEQUENCE IQAKEYLENL NKELAKRTNV ETEAAWAYRS AITDENEKKK NEISAELAKF DATA SEQUENCE MKEVASDTTK FQWRSYQSED LKRQFKALTK LGYAALPEDD YAELLDTLSA DATA SEQUENCE MESNFAKVKV cDYKDSTKcD LALDPEIEEV ISKSRDHEEL AYYWREFYDK DATA SEQUENCE AGTAVRSQFE RYVELNTKAA KLNNFTSGAE AWLDEYEDDT FEQQLEDIFA DATA SEQUENCE DIRPLYQQIH GYVRFRLRKH YGDAVVSETG PIPMHLLGNM WAQQWSEIAD DATA SEQUENCE IVSPFPEKPL VDVSAEMEKQ AYTPLKMFQM GDDFFTSMNL TKLPQDFWDK DATA SEQUENCE SIIEKPTDGR DLVcHASAWD FYLIDDVRIK QcTRVTQDQL FTVHHELGHI DATA SEQUENCE QYFLQYQHQP FVYRTGANPG FHEAVGDVLS LSVSTPKHLE KIGLLKDYVR DATA SEQUENCE DDEARINQLF LTALDKIVFL PFAFTMDKYR WSLFRGEVDK ANWNcAFWKL DATA SEQUENCE RDEYSGIEPP VVRSEKDFDA PAKYHISADV EYLRYLVSFI IQFQFYKSAc DATA SEQUENCE IKAGQYDPDN VELPLDNcDI YGSARAGAAF HNMLSMGASK PWPDALEAFN DATA SEQUENCE GERIMSGKAI AEYFEPLRVW LEAENIKNNV HIGWITSNKc VSSHHHHH 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 23 I HA 0.000 nan 4.170 nan 0.000 0.288 23 I C 0.000 176.129 176.117 0.020 0.000 1.063 23 I CA 0.000 61.319 61.300 0.032 0.000 1.566 23 I CB 0.000 38.087 38.000 0.144 0.000 1.214 24 Q N 3.594 123.436 119.800 0.071 0.000 2.331 24 Q HA 0.552 4.858 4.340 -0.057 0.000 0.257 24 Q C 0.144 176.196 176.000 0.086 0.000 0.957 24 Q CA -0.050 55.791 55.803 0.063 0.000 0.923 24 Q CB 1.868 30.635 28.738 0.048 0.000 1.212 24 Q HN 0.659 nan 8.270 nan 0.000 0.443 25 A N 3.314 126.164 122.820 0.050 0.000 2.348 25 A HA -0.042 4.243 4.320 -0.057 0.000 0.224 25 A C 1.755 179.339 177.584 -0.001 0.000 1.227 25 A CA 0.035 51.981 52.037 -0.152 0.000 0.885 25 A CB -0.003 18.770 19.000 -0.378 0.000 0.933 25 A HN 0.791 nan 8.150 nan 0.000 0.506 26 K N 0.818 121.242 120.400 0.040 0.000 2.160 26 K HA -0.211 4.075 4.320 -0.057 0.000 0.206 26 K C 1.176 177.770 176.600 -0.010 0.000 1.047 26 K CA 1.935 58.227 56.287 0.007 0.000 0.930 26 K CB -0.242 32.273 32.500 0.025 0.000 0.720 26 K HN 0.540 nan 8.250 nan 0.000 0.450 27 E N -0.151 120.067 120.200 0.030 0.000 2.072 27 E HA -0.176 4.140 4.350 -0.057 0.000 0.190 27 E C 1.909 178.539 176.600 0.051 0.000 0.982 27 E CA 1.057 57.482 56.400 0.041 0.000 0.803 27 E CB -0.291 29.454 29.700 0.076 0.000 0.755 27 E HN 0.372 nan 8.360 nan 0.000 0.453 28 Y N 1.953 122.213 120.300 -0.066 0.000 2.049 28 Y HA -0.250 4.266 4.550 -0.057 0.000 0.277 28 Y C 1.951 177.777 175.900 -0.123 0.000 1.143 28 Y CA 1.604 59.667 58.100 -0.063 0.000 1.115 28 Y CB -0.511 37.861 38.460 -0.146 0.000 0.975 28 Y HN -0.081 nan 8.280 nan 0.000 0.487 29 L N 0.214 121.235 121.223 -0.338 0.000 2.043 29 L HA -0.268 4.038 4.340 -0.057 0.000 0.212 29 L C 2.558 179.205 176.870 -0.371 0.000 1.075 29 L CA 2.071 56.602 54.840 -0.514 0.000 0.752 29 L CB -0.797 40.985 42.059 -0.462 0.000 0.891 29 L HN 0.349 nan 8.230 nan 0.000 0.432 30 E N 0.730 120.795 120.200 -0.225 0.000 2.058 30 E HA -0.244 4.072 4.350 -0.057 0.000 0.194 30 E C 1.903 178.410 176.600 -0.156 0.000 0.997 30 E CA 1.807 58.115 56.400 -0.153 0.000 0.801 30 E CB -0.015 29.636 29.700 -0.081 0.000 0.746 30 E HN 0.481 nan 8.360 nan 0.000 0.450 31 N N -0.294 118.312 118.700 -0.158 0.000 2.084 31 N HA -0.179 4.527 4.740 -0.057 0.000 0.190 31 N C 1.812 177.206 175.510 -0.193 0.000 1.030 31 N CA 1.033 54.004 53.050 -0.132 0.000 0.849 31 N CB -0.122 38.320 38.487 -0.074 0.000 1.012 31 N HN 0.113 nan 8.380 nan 0.000 0.423 32 L N 1.336 122.348 121.223 -0.351 0.000 2.046 32 L HA -0.090 4.215 4.340 -0.057 0.000 0.208 32 L C 1.420 178.133 176.870 -0.262 0.000 1.077 32 L CA 1.717 56.340 54.840 -0.361 0.000 0.747 32 L CB -0.646 40.990 42.059 -0.706 0.000 0.896 32 L HN 0.144 nan 8.230 nan 0.000 0.432 33 N N -0.701 117.847 118.700 -0.254 0.000 2.120 33 N HA -0.236 4.470 4.740 -0.057 0.000 0.188 33 N C 1.801 177.200 175.510 -0.186 0.000 1.024 33 N CA 1.330 54.283 53.050 -0.163 0.000 0.852 33 N CB -0.165 38.261 38.487 -0.102 0.000 1.003 33 N HN 0.289 nan 8.380 nan 0.000 0.424 34 K N 0.828 121.139 120.400 -0.148 0.000 2.211 34 K HA -0.215 4.071 4.320 -0.057 0.000 0.204 34 K C 1.706 178.198 176.600 -0.181 0.000 1.047 34 K CA 1.256 57.468 56.287 -0.125 0.000 0.935 34 K CB 0.113 32.562 32.500 -0.084 0.000 0.728 34 K HN 0.110 nan 8.250 nan 0.000 0.452 35 E N 0.558 120.634 120.200 -0.206 0.000 2.060 35 E HA -0.053 4.263 4.350 -0.057 0.000 0.189 35 E C 1.883 178.263 176.600 -0.367 0.000 0.974 35 E CA 0.728 56.988 56.400 -0.235 0.000 0.808 35 E CB -0.079 29.528 29.700 -0.156 0.000 0.768 35 E HN 0.229 nan 8.360 nan 0.000 0.453 36 L N 0.252 121.213 121.223 -0.436 0.000 2.043 36 L HA -0.208 4.097 4.340 -0.057 0.000 0.212 36 L C 2.487 178.717 176.870 -1.066 0.000 1.075 36 L CA 1.340 55.761 54.840 -0.700 0.000 0.752 36 L CB -0.658 40.948 42.059 -0.756 0.000 0.891 36 L HN 0.247 nan 8.230 nan 0.000 0.432 37 A N -0.428 121.769 122.820 -1.039 0.000 2.015 37 A HA -0.214 4.071 4.320 -0.057 0.000 0.219 37 A C 2.287 179.677 177.584 -0.323 0.000 1.163 37 A CA 1.685 53.287 52.037 -0.724 0.000 0.646 37 A CB -0.258 18.624 19.000 -0.196 0.000 0.806 37 A HN 0.222 nan 8.150 nan 0.000 0.448 38 K N -0.218 120.006 120.400 -0.292 0.000 2.021 38 K HA 0.040 4.326 4.320 -0.057 0.000 0.205 38 K C 2.144 178.624 176.600 -0.200 0.000 1.047 38 K CA 1.169 57.346 56.287 -0.183 0.000 0.943 38 K CB -0.165 32.229 32.500 -0.177 0.000 0.725 38 K HN 0.382 nan 8.250 nan 0.000 0.439 39 R N -0.628 119.693 120.500 -0.298 0.000 2.189 39 R HA -0.025 4.280 4.340 -0.057 0.000 0.223 39 R C 1.627 177.804 176.300 -0.207 0.000 1.092 39 R CA 1.471 57.406 56.100 -0.276 0.000 0.989 39 R CB -0.054 30.010 30.300 -0.394 0.000 0.876 39 R HN 0.197 nan 8.270 nan 0.000 0.457 40 T N 0.231 114.626 114.554 -0.265 0.000 3.014 40 T HA -0.052 4.264 4.350 -0.057 0.000 0.263 40 T C 1.355 176.062 174.700 0.013 0.000 1.078 40 T CA 0.865 62.870 62.100 -0.158 0.000 1.135 40 T CB -0.153 68.528 68.868 -0.311 0.000 0.895 40 T HN 0.280 nan 8.240 nan 0.000 0.480 41 N N 1.422 120.137 118.700 0.026 0.000 2.043 41 N HA -0.130 4.576 4.740 -0.057 0.000 0.193 41 N C 1.710 177.304 175.510 0.141 0.000 1.037 41 N CA 1.438 54.579 53.050 0.151 0.000 0.851 41 N CB -0.544 38.002 38.487 0.099 0.000 1.027 41 N HN 0.116 nan 8.380 nan 0.000 0.422 42 V N 0.852 120.798 119.914 0.054 0.000 2.252 42 V HA -0.261 3.824 4.120 -0.057 0.000 0.249 42 V C 2.329 178.482 176.094 0.098 0.000 1.056 42 V CA 2.286 64.618 62.300 0.053 0.000 1.022 42 V CB -0.827 30.995 31.823 -0.002 0.000 0.641 42 V HN 0.485 nan 8.190 nan 0.000 0.445 43 E N -0.207 120.046 120.200 0.088 0.000 2.118 43 E HA -0.235 4.081 4.350 -0.057 0.000 0.195 43 E C 2.208 178.931 176.600 0.206 0.000 0.992 43 E CA 1.861 58.336 56.400 0.124 0.000 0.804 43 E CB -0.124 29.636 29.700 0.100 0.000 0.741 43 E HN 0.667 nan 8.360 nan 0.000 0.458 44 T N 1.133 115.832 114.554 0.242 0.000 2.867 44 T HA -0.104 4.212 4.350 -0.057 0.000 0.268 44 T C 1.441 176.397 174.700 0.427 0.000 1.057 44 T CA 0.998 63.304 62.100 0.344 0.000 1.136 44 T CB -0.077 68.940 68.868 0.250 0.000 0.874 44 T HN 0.200 nan 8.240 nan 0.000 0.466 45 E N 1.148 121.571 120.200 0.372 0.000 2.208 45 E HA 0.029 4.345 4.350 -0.057 0.000 0.193 45 E C 2.442 179.200 176.600 0.262 0.000 0.988 45 E CA 0.878 57.462 56.400 0.307 0.000 0.828 45 E CB -0.190 29.596 29.700 0.144 0.000 0.763 45 E HN 0.528 nan 8.360 nan 0.000 0.478 46 A N 1.298 124.252 122.820 0.223 0.000 1.935 46 A HA 0.148 4.434 4.320 -0.057 0.000 0.214 46 A C 2.377 180.104 177.584 0.240 0.000 1.178 46 A CA 1.204 53.357 52.037 0.193 0.000 0.640 46 A CB -0.242 18.845 19.000 0.145 0.000 0.825 46 A HN 0.232 nan 8.150 nan 0.000 0.447 47 A N -0.979 122.020 122.820 0.299 0.000 1.898 47 A HA -0.173 4.113 4.320 -0.057 0.000 0.216 47 A C 2.076 179.869 177.584 0.348 0.000 1.181 47 A CA 1.381 53.657 52.037 0.399 0.000 0.620 47 A CB -0.833 18.519 19.000 0.586 0.000 0.819 47 A HN 0.884 nan 8.150 nan 0.000 0.442 48 W N 0.732 121.943 121.300 -0.148 0.000 2.467 48 W HA 0.023 4.646 4.660 -0.061 0.000 0.275 48 W C 1.918 178.309 176.519 -0.213 0.000 1.239 48 W CA 1.382 58.376 57.345 -0.586 0.000 1.266 48 W CB -0.174 28.854 29.460 -0.719 0.000 1.112 48 W HN 0.403 nan 8.180 nan 0.000 0.576 49 A N -0.029 122.820 122.820 0.048 0.000 1.898 49 A HA -0.195 4.091 4.320 -0.057 0.000 0.214 49 A C 1.824 179.370 177.584 -0.062 0.000 1.183 49 A CA 1.345 53.367 52.037 -0.024 0.000 0.622 49 A CB -1.537 17.521 19.000 0.096 0.000 0.824 49 A HN 0.423 nan 8.150 nan 0.000 0.444 50 Y N 1.149 121.425 120.300 -0.040 0.000 2.070 50 Y HA -0.223 4.364 4.550 0.061 0.000 0.280 50 Y C 2.251 178.126 175.900 -0.040 0.000 1.148 50 Y CA 2.224 60.320 58.100 -0.007 0.000 1.125 50 Y CB -0.321 38.176 38.460 0.062 0.000 0.975 50 Y HN 0.247 nan 8.280 nan 0.000 0.492 51 R N -0.211 120.317 120.500 0.048 0.000 2.357 51 R HA -0.026 4.280 4.340 -0.057 0.000 0.202 51 R C 1.578 177.717 176.300 -0.268 0.000 1.047 51 R CA 0.974 57.054 56.100 -0.033 0.000 1.034 51 R CB -0.237 30.244 30.300 0.300 0.000 0.875 51 R HN 0.232 nan 8.270 nan 0.000 0.473 52 S N -0.465 114.986 115.700 -0.414 0.000 2.526 52 S HA 0.300 4.736 4.470 -0.057 0.000 0.220 52 S C 0.207 174.630 174.600 -0.296 0.000 1.017 52 S CA -0.019 57.908 58.200 -0.456 0.000 0.930 52 S CB 1.475 64.257 63.200 -0.697 0.000 0.856 52 S HN 0.341 nan 8.310 nan 0.000 0.497 53 A N 1.451 124.099 122.820 -0.285 0.000 2.626 53 A HA 0.482 4.768 4.320 -0.057 0.000 0.293 53 A C -0.753 176.656 177.584 -0.292 0.000 1.111 53 A CA -0.591 51.313 52.037 -0.221 0.000 0.874 53 A CB 0.119 19.031 19.000 -0.146 0.000 1.451 53 A HN 0.303 nan 8.150 nan 0.000 0.396 54 I N 3.627 123.985 120.570 -0.353 0.000 2.357 54 I HA 0.199 4.335 4.170 -0.057 0.000 0.300 54 I C 0.731 176.745 176.117 -0.172 0.000 1.159 54 I CA 0.541 61.566 61.300 -0.459 0.000 1.339 54 I CB 0.057 37.828 38.000 -0.382 0.000 1.458 54 I HN 0.653 nan 8.210 nan 0.000 0.577 55 T N -0.460 114.048 114.554 -0.076 0.000 2.908 55 T HA 0.308 4.624 4.350 -0.057 0.000 0.290 55 T C 0.632 175.391 174.700 0.099 0.000 1.034 55 T CA -0.890 61.219 62.100 0.016 0.000 1.010 55 T CB 2.364 71.239 68.868 0.013 0.000 1.068 55 T HN 0.280 nan 8.240 nan 0.000 0.481 56 D N 0.576 121.027 120.400 0.086 0.000 2.117 56 D HA -0.130 4.476 4.640 -0.057 0.000 0.197 56 D C 1.709 178.070 176.300 0.100 0.000 0.987 56 D CA 1.380 55.441 54.000 0.102 0.000 0.829 56 D CB -0.061 40.780 40.800 0.068 0.000 0.961 56 D HN 0.868 nan 8.370 nan 0.000 0.460 57 E N 0.558 120.804 120.200 0.077 0.000 2.049 57 E HA -0.228 4.088 4.350 -0.057 0.000 0.198 57 E C 1.651 178.308 176.600 0.095 0.000 1.007 57 E CA 1.202 57.644 56.400 0.069 0.000 0.809 57 E CB 0.053 29.783 29.700 0.050 0.000 0.749 57 E HN 0.078 nan 8.360 nan 0.000 0.450 58 N N 0.603 119.376 118.700 0.122 0.000 2.205 58 N HA -0.190 4.516 4.740 -0.057 0.000 0.186 58 N C 1.570 177.233 175.510 0.255 0.000 1.015 58 N CA 1.317 54.472 53.050 0.175 0.000 0.862 58 N CB -0.220 38.367 38.487 0.168 0.000 0.986 58 N HN 0.369 nan 8.380 nan 0.000 0.429 59 E N 0.719 121.093 120.200 0.289 0.000 2.107 59 E HA -0.151 4.165 4.350 -0.057 0.000 0.191 59 E C 1.787 178.407 176.600 0.033 0.000 0.982 59 E CA 0.884 57.375 56.400 0.152 0.000 0.809 59 E CB 0.083 29.907 29.700 0.206 0.000 0.756 59 E HN 0.238 nan 8.360 nan 0.000 0.459 60 K N 0.808 121.246 120.400 0.063 0.000 2.057 60 K HA -0.151 4.135 4.320 -0.057 0.000 0.206 60 K C 2.277 178.901 176.600 0.040 0.000 1.050 60 K CA 1.185 57.495 56.287 0.039 0.000 0.935 60 K CB 0.024 32.551 32.500 0.044 0.000 0.715 60 K HN -0.065 nan 8.250 nan 0.000 0.439 61 K N 1.230 121.665 120.400 0.057 0.000 2.025 61 K HA -0.203 4.083 4.320 -0.057 0.000 0.207 61 K C 2.143 178.778 176.600 0.058 0.000 1.049 61 K CA 1.592 57.914 56.287 0.058 0.000 0.933 61 K CB -0.078 32.465 32.500 0.070 0.000 0.714 61 K HN 0.047 nan 8.250 nan 0.000 0.438 62 K N 0.633 121.068 120.400 0.059 0.000 2.001 62 K HA -0.205 4.081 4.320 -0.057 0.000 0.214 62 K C 1.744 178.359 176.600 0.025 0.000 1.050 62 K CA 1.976 58.291 56.287 0.046 0.000 0.934 62 K CB -0.176 32.316 32.500 -0.014 0.000 0.718 62 K HN 0.127 nan 8.250 nan 0.000 0.443 63 N N 0.847 119.540 118.700 -0.013 0.000 2.223 63 N HA -0.160 4.546 4.740 -0.057 0.000 0.185 63 N C 1.679 177.211 175.510 0.036 0.000 1.016 63 N CA 1.174 54.216 53.050 -0.014 0.000 0.863 63 N CB -0.167 38.290 38.487 -0.050 0.000 0.983 63 N HN 0.331 nan 8.380 nan 0.000 0.429 64 E N 0.959 121.185 120.200 0.043 0.000 2.023 64 E HA -0.089 4.227 4.350 -0.057 0.000 0.196 64 E C 1.920 178.565 176.600 0.075 0.000 1.003 64 E CA 0.836 57.270 56.400 0.057 0.000 0.809 64 E CB -0.126 29.602 29.700 0.047 0.000 0.755 64 E HN 0.138 nan 8.360 nan 0.000 0.449 65 I N 0.652 121.265 120.570 0.070 0.000 2.151 65 I HA -0.279 3.857 4.170 -0.057 0.000 0.243 65 I C 2.280 178.457 176.117 0.101 0.000 1.080 65 I CA 1.413 62.755 61.300 0.071 0.000 1.339 65 I CB -1.520 36.522 38.000 0.070 0.000 1.039 65 I HN 0.057 nan 8.210 nan 0.000 0.409 66 S N 1.014 116.795 115.700 0.136 0.000 2.383 66 S HA -0.141 4.295 4.470 -0.057 0.000 0.229 66 S C 2.244 177.046 174.600 0.337 0.000 1.030 66 S CA 1.352 59.685 58.200 0.223 0.000 1.002 66 S CB -0.379 62.963 63.200 0.236 0.000 0.829 66 S HN 0.580 nan 8.310 nan 0.000 0.467 67 A N 1.615 124.629 122.820 0.324 0.000 1.877 67 A HA -0.149 4.137 4.320 -0.057 0.000 0.216 67 A C 2.146 179.824 177.584 0.157 0.000 1.186 67 A CA 1.431 53.672 52.037 0.339 0.000 0.620 67 A CB -0.543 18.594 19.000 0.228 0.000 0.822 67 A HN 0.386 nan 8.150 nan 0.000 0.443 68 E N -0.235 120.034 120.200 0.115 0.000 2.038 68 E HA -0.204 4.112 4.350 -0.057 0.000 0.195 68 E C 2.025 178.669 176.600 0.073 0.000 1.000 68 E CA 1.619 58.065 56.400 0.075 0.000 0.803 68 E CB -0.423 29.305 29.700 0.047 0.000 0.750 68 E HN 0.453 nan 8.360 nan 0.000 0.448 69 L N 1.060 122.320 121.223 0.061 0.000 2.043 69 L HA -0.165 4.141 4.340 -0.057 0.000 0.212 69 L C 2.311 179.212 176.870 0.052 0.000 1.075 69 L CA 2.488 57.359 54.840 0.052 0.000 0.752 69 L CB -0.922 41.158 42.059 0.034 0.000 0.891 69 L HN 0.105 nan 8.230 nan 0.000 0.432 70 A N -0.565 122.237 122.820 -0.030 0.000 1.948 70 A HA -0.265 4.021 4.320 -0.057 0.000 0.220 70 A C 2.322 179.838 177.584 -0.115 0.000 1.177 70 A CA 2.203 54.113 52.037 -0.211 0.000 0.636 70 A CB -0.546 18.053 19.000 -0.668 0.000 0.815 70 A HN 0.594 nan 8.150 nan 0.000 0.449 71 K N -1.903 118.482 120.400 -0.026 0.000 2.103 71 K HA -0.029 4.257 4.320 -0.057 0.000 0.204 71 K C 1.780 178.405 176.600 0.041 0.000 1.052 71 K CA 1.255 57.545 56.287 0.005 0.000 0.945 71 K CB -0.296 32.227 32.500 0.038 0.000 0.722 71 K HN 0.454 nan 8.250 nan 0.000 0.443 72 F N 1.871 121.793 119.950 -0.047 0.000 2.126 72 F HA -0.226 4.267 4.527 -0.057 0.000 0.299 72 F C 2.161 177.939 175.800 -0.037 0.000 1.096 72 F CA 1.377 59.354 58.000 -0.038 0.000 1.255 72 F CB -0.039 38.931 39.000 -0.050 0.000 0.997 72 F HN -0.074 nan 8.300 nan 0.000 0.479 73 M N 0.412 120.038 119.600 0.044 0.000 2.080 73 M HA -0.224 4.222 4.480 -0.057 0.000 0.260 73 M C 2.103 178.351 176.300 -0.086 0.000 1.068 73 M CA 1.677 56.958 55.300 -0.031 0.000 1.109 73 M CB -1.284 31.310 32.600 -0.010 0.000 1.342 73 M HN 0.094 nan 8.290 nan 0.000 0.405 74 K N -0.430 119.922 120.400 -0.080 0.000 2.044 74 K HA -0.223 4.063 4.320 -0.057 0.000 0.210 74 K C 2.049 178.596 176.600 -0.089 0.000 1.049 74 K CA 1.610 57.854 56.287 -0.072 0.000 0.927 74 K CB -0.174 32.288 32.500 -0.064 0.000 0.713 74 K HN 0.156 nan 8.250 nan 0.000 0.443 75 E N 0.417 120.531 120.200 -0.142 0.000 2.107 75 E HA -0.086 4.230 4.350 -0.057 0.000 0.191 75 E C 1.764 178.245 176.600 -0.198 0.000 0.982 75 E CA 0.582 56.880 56.400 -0.170 0.000 0.809 75 E CB 0.122 29.697 29.700 -0.209 0.000 0.756 75 E HN 0.001 nan 8.360 nan 0.000 0.459 76 V N 0.499 120.237 119.914 -0.293 0.000 2.515 76 V HA -0.213 3.873 4.120 -0.057 0.000 0.250 76 V C 2.216 178.308 176.094 -0.003 0.000 1.058 76 V CA 1.634 63.818 62.300 -0.194 0.000 1.064 76 V CB -0.705 30.964 31.823 -0.257 0.000 0.675 76 V HN 0.374 nan 8.190 nan 0.000 0.461 77 A N 0.741 123.551 122.820 -0.017 0.000 1.930 77 A HA -0.164 4.122 4.320 -0.057 0.000 0.217 77 A C 2.472 180.088 177.584 0.053 0.000 1.175 77 A CA 2.013 54.076 52.037 0.044 0.000 0.627 77 A CB -0.561 18.450 19.000 0.019 0.000 0.815 77 A HN 0.666 nan 8.150 nan 0.000 0.443 78 S N -0.118 115.584 115.700 0.003 0.000 2.461 78 S HA -0.078 4.358 4.470 -0.057 0.000 0.228 78 S C 1.105 175.695 174.600 -0.016 0.000 1.005 78 S CA 1.012 59.207 58.200 -0.009 0.000 0.942 78 S CB -0.289 62.891 63.200 -0.034 0.000 0.776 78 S HN 0.473 nan 8.310 nan 0.000 0.514 79 D N 2.620 123.017 120.400 -0.004 0.000 2.183 79 D HA -0.045 4.561 4.640 -0.057 0.000 0.203 79 D C 2.216 178.498 176.300 -0.030 0.000 0.969 79 D CA 1.768 55.748 54.000 -0.033 0.000 0.842 79 D CB -0.842 39.963 40.800 0.009 0.000 0.957 79 D HN 0.705 nan 8.370 nan 0.000 0.484 80 T N -2.235 112.399 114.554 0.133 0.000 3.051 80 T HA -0.078 4.238 4.350 -0.057 0.000 0.269 80 T C 1.758 176.525 174.700 0.112 0.000 1.127 80 T CA 1.030 63.301 62.100 0.285 0.000 1.107 80 T CB -0.517 68.657 68.868 0.509 0.000 0.898 80 T HN -0.069 nan 8.240 nan 0.000 0.517 81 T N 1.485 116.043 114.554 0.006 0.000 2.915 81 T HA -0.007 4.309 4.350 -0.057 0.000 0.269 81 T C 1.737 176.346 174.700 -0.151 0.000 1.071 81 T CA 1.242 63.304 62.100 -0.063 0.000 1.132 81 T CB -0.216 68.611 68.868 -0.070 0.000 0.878 81 T HN 0.576 nan 8.240 nan 0.000 0.479 82 K N 0.490 120.738 120.400 -0.254 0.000 2.009 82 K HA -0.084 4.201 4.320 -0.057 0.000 0.210 82 K C -0.198 176.140 176.600 -0.437 0.000 1.049 82 K CA 1.065 57.088 56.287 -0.440 0.000 0.929 82 K CB -0.197 31.847 32.500 -0.760 0.000 0.714 82 K HN 0.253 nan 8.250 nan 0.000 0.440 83 F N 2.010 121.880 119.950 -0.132 0.000 2.438 83 F HA 0.137 4.629 4.527 -0.058 0.000 0.360 83 F C 0.328 175.969 175.800 -0.266 0.000 1.118 83 F CA -0.534 57.384 58.000 -0.137 0.000 1.164 83 F CB 0.975 39.826 39.000 -0.248 0.000 1.131 83 F HN 0.073 nan 8.300 nan 0.000 0.527 84 Q N 5.680 125.484 119.800 0.007 0.000 2.844 84 Q HA 0.045 4.350 4.340 -0.057 0.000 0.235 84 Q C 0.684 176.484 176.000 -0.333 0.000 1.336 84 Q CA -0.292 55.395 55.803 -0.193 0.000 1.026 84 Q CB -0.083 28.610 28.738 -0.076 0.000 1.513 84 Q HN 0.717 nan 8.270 nan 0.000 0.577 85 W N 2.571 123.386 121.300 -0.810 0.000 2.595 85 W HA 0.007 4.633 4.660 -0.056 0.000 0.257 85 W C 0.366 176.677 176.519 -0.346 0.000 1.267 85 W CA -0.107 56.584 57.345 -1.089 0.000 1.300 85 W CB -0.220 28.552 29.460 -1.146 0.000 1.120 85 W HN 0.429 nan 8.180 nan 0.000 0.618 86 R N 0.941 120.998 120.500 -0.738 0.000 2.341 86 R HA -0.089 4.216 4.340 -0.057 0.000 0.213 86 R C 1.687 177.898 176.300 -0.149 0.000 1.082 86 R CA 1.166 56.960 56.100 -0.510 0.000 1.017 86 R CB -0.405 29.517 30.300 -0.629 0.000 0.860 86 R HN 0.186 nan 8.270 nan 0.000 0.473 87 S N -0.748 114.935 115.700 -0.028 0.000 2.666 87 S HA 0.136 4.572 4.470 -0.057 0.000 0.239 87 S C 0.006 174.752 174.600 0.244 0.000 1.031 87 S CA -0.542 57.710 58.200 0.086 0.000 1.015 87 S CB 0.114 63.344 63.200 0.049 0.000 0.981 87 S HN 0.049 nan 8.310 nan 0.000 0.547 88 Y N 2.959 123.292 120.300 0.055 0.000 2.341 88 Y HA -0.001 4.515 4.550 -0.056 0.000 0.357 88 Y C 1.944 177.890 175.900 0.078 0.000 1.261 88 Y CA 0.312 58.464 58.100 0.087 0.000 1.547 88 Y CB 0.229 38.779 38.460 0.150 0.000 1.363 88 Y HN 0.326 nan 8.280 nan 0.000 0.692 89 Q N 0.200 120.112 119.800 0.187 0.000 2.080 89 Q HA 0.126 4.432 4.340 -0.057 0.000 0.195 89 Q C 0.410 176.488 176.000 0.131 0.000 0.989 89 Q CA 0.794 56.662 55.803 0.108 0.000 0.838 89 Q CB -1.107 27.650 28.738 0.032 0.000 0.915 89 Q HN 0.489 nan 8.270 nan 0.000 0.482 90 S N 0.391 116.171 115.700 0.133 0.000 2.565 90 S HA 0.328 4.764 4.470 -0.057 0.000 0.274 90 S C -0.105 174.591 174.600 0.159 0.000 1.309 90 S CA -0.793 57.481 58.200 0.123 0.000 1.043 90 S CB 1.100 64.361 63.200 0.101 0.000 0.939 90 S HN 0.195 nan 8.310 nan 0.000 0.504 91 E N 1.030 121.308 120.200 0.130 0.000 4.471 91 E HA 0.209 4.525 4.350 -0.057 0.000 0.438 91 E C 0.923 177.605 176.600 0.137 0.000 1.497 91 E CA 0.825 57.308 56.400 0.138 0.000 2.657 91 E CB 0.007 29.768 29.700 0.103 0.000 1.488 91 E HN 0.932 nan 8.360 nan 0.000 0.743 92 D N -1.911 118.574 120.400 0.140 0.000 4.137 92 D HA -0.281 4.325 4.640 -0.057 0.000 0.214 92 D C 1.110 177.482 176.300 0.119 0.000 1.236 92 D CA 1.981 56.095 54.000 0.190 0.000 2.360 92 D CB -1.242 39.654 40.800 0.160 0.000 1.205 92 D HN 0.236 nan 8.370 nan 0.000 0.406 93 L N 1.075 122.364 121.223 0.109 0.000 2.005 93 L HA 0.079 4.385 4.340 -0.057 0.000 0.207 93 L C 2.439 179.395 176.870 0.143 0.000 1.072 93 L CA 2.553 57.453 54.840 0.100 0.000 0.744 93 L CB -0.659 41.531 42.059 0.219 0.000 0.895 93 L HN 0.327 nan 8.230 nan 0.000 0.433 94 K N -0.932 119.595 120.400 0.213 0.000 2.442 94 K HA -0.186 4.100 4.320 -0.057 0.000 0.198 94 K C 2.206 178.866 176.600 0.099 0.000 1.042 94 K CA 0.849 57.274 56.287 0.230 0.000 0.958 94 K CB 0.072 32.742 32.500 0.284 0.000 0.766 94 K HN 0.204 nan 8.250 nan 0.000 0.474 95 R N 0.027 120.565 120.500 0.064 0.000 2.128 95 R HA 0.006 4.312 4.340 -0.057 0.000 0.211 95 R C 1.827 178.078 176.300 -0.082 0.000 1.067 95 R CA 0.631 56.760 56.100 0.049 0.000 1.010 95 R CB 0.179 30.583 30.300 0.174 0.000 0.922 95 R HN 0.230 nan 8.270 nan 0.000 0.457 96 Q N -0.583 119.088 119.800 -0.216 0.000 2.167 96 Q HA -0.129 4.177 4.340 -0.057 0.000 0.202 96 Q C 1.530 177.193 176.000 -0.561 0.000 0.970 96 Q CA 1.264 56.790 55.803 -0.463 0.000 0.855 96 Q CB 0.028 28.402 28.738 -0.606 0.000 0.911 96 Q HN 0.279 nan 8.270 nan 0.000 0.438 97 F N 1.161 120.726 119.950 -0.643 0.000 2.128 97 F HA -0.079 4.414 4.527 -0.056 0.000 0.295 97 F C 2.383 177.537 175.800 -1.076 0.000 1.100 97 F CA 1.057 58.437 58.000 -1.032 0.000 1.260 97 F CB -0.117 37.687 39.000 -1.993 0.000 1.009 97 F HN -0.091 nan 8.300 nan 0.000 0.476 98 K N 0.243 120.094 120.400 -0.915 0.000 2.152 98 K HA -0.185 4.101 4.320 -0.057 0.000 0.206 98 K C 2.060 178.570 176.600 -0.151 0.000 1.048 98 K CA 1.319 57.356 56.287 -0.418 0.000 0.933 98 K CB -0.194 32.258 32.500 -0.079 0.000 0.721 98 K HN 0.246 nan 8.250 nan 0.000 0.447 99 A N 0.255 122.967 122.820 -0.179 0.000 1.935 99 A HA -0.010 4.276 4.320 -0.057 0.000 0.214 99 A C 1.808 179.322 177.584 -0.116 0.000 1.178 99 A CA 0.532 52.505 52.037 -0.106 0.000 0.640 99 A CB -0.201 18.737 19.000 -0.103 0.000 0.825 99 A HN 0.241 nan 8.150 nan 0.000 0.447 100 L N 0.541 121.651 121.223 -0.188 0.000 2.313 100 L HA -0.039 4.267 4.340 -0.057 0.000 0.214 100 L C 2.589 179.426 176.870 -0.054 0.000 1.119 100 L CA 2.314 57.069 54.840 -0.142 0.000 0.809 100 L CB -0.639 41.275 42.059 -0.240 0.000 0.933 100 L HN 0.623 nan 8.230 nan 0.000 0.449 101 T N -4.762 109.774 114.554 -0.030 0.000 3.065 101 T HA -0.002 4.314 4.350 -0.057 0.000 0.252 101 T C 1.031 175.768 174.700 0.061 0.000 1.099 101 T CA -0.109 62.030 62.100 0.066 0.000 1.063 101 T CB -0.204 68.775 68.868 0.185 0.000 0.948 101 T HN 0.055 nan 8.240 nan 0.000 0.506 102 K N 1.704 122.130 120.400 0.044 0.000 2.228 102 K HA 0.299 4.585 4.320 -0.057 0.000 0.284 102 K C -1.097 175.541 176.600 0.063 0.000 1.088 102 K CA -0.447 55.884 56.287 0.073 0.000 0.941 102 K CB 0.202 32.771 32.500 0.115 0.000 1.158 102 K HN 0.163 nan 8.250 nan 0.000 0.438 103 L N 2.796 124.054 121.223 0.058 0.000 2.276 103 L HA 0.228 4.534 4.340 -0.057 0.000 0.286 103 L C 1.056 177.967 176.870 0.069 0.000 1.061 103 L CA 0.480 55.344 54.840 0.041 0.000 0.807 103 L CB 1.263 43.334 42.059 0.020 0.000 1.177 103 L HN 0.676 nan 8.230 nan 0.000 0.429 104 G N 2.592 111.418 108.800 0.043 0.000 3.107 104 G HA2 -0.101 3.825 3.960 -0.057 0.000 0.155 104 G HA3 -0.101 3.825 3.960 -0.057 0.000 0.155 104 G C 0.685 175.679 174.900 0.157 0.000 1.875 104 G CA 0.224 45.344 45.100 0.034 0.000 1.004 104 G HN 0.556 nan 8.290 nan 0.000 0.480 105 Y N 1.201 121.563 120.300 0.104 0.000 2.384 105 Y HA -0.011 4.500 4.550 -0.065 0.000 0.289 105 Y C 3.073 179.025 175.900 0.088 0.000 1.152 105 Y CA 0.161 58.358 58.100 0.161 0.000 1.258 105 Y CB -1.139 37.509 38.460 0.313 0.000 0.979 105 Y HN 0.266 nan 8.280 nan 0.000 0.549 106 A N -0.134 122.725 122.820 0.066 0.000 2.178 106 A HA 0.023 4.309 4.320 -0.057 0.000 0.218 106 A C 2.437 179.948 177.584 -0.120 0.000 1.157 106 A CA 1.228 53.116 52.037 -0.248 0.000 0.689 106 A CB -0.813 18.063 19.000 -0.207 0.000 0.787 106 A HN 0.350 nan 8.150 nan 0.000 0.465 107 A N -0.817 122.004 122.820 0.001 0.000 2.016 107 A HA 0.301 4.587 4.320 -0.057 0.000 0.217 107 A C 0.830 178.419 177.584 0.008 0.000 1.162 107 A CA 0.193 52.233 52.037 0.005 0.000 0.662 107 A CB -0.336 18.685 19.000 0.035 0.000 0.812 107 A HN 0.364 nan 8.150 nan 0.000 0.450 108 L N 1.338 122.587 121.223 0.044 0.000 2.506 108 L HA 0.149 4.454 4.340 -0.057 0.000 0.281 108 L C -1.695 175.197 176.870 0.037 0.000 1.228 108 L CA -1.515 53.358 54.840 0.056 0.000 0.850 108 L CB -0.129 42.004 42.059 0.124 0.000 1.110 108 L HN 0.185 nan 8.230 nan 0.000 0.496 109 P HA -0.011 nan 4.420 nan 0.000 0.273 109 P C 0.435 177.771 177.300 0.059 0.000 1.250 109 P CA -0.354 62.761 63.100 0.025 0.000 0.793 109 P CB 0.600 32.309 31.700 0.014 0.000 1.011 110 E N 0.888 121.118 120.200 0.050 0.000 2.065 110 E HA -0.306 4.010 4.350 -0.057 0.000 0.201 110 E C 1.458 178.115 176.600 0.094 0.000 1.016 110 E CA 2.210 58.659 56.400 0.081 0.000 0.818 110 E CB -0.355 29.377 29.700 0.054 0.000 0.749 110 E HN 0.522 nan 8.360 nan 0.000 0.453 111 D N 0.576 121.009 120.400 0.055 0.000 2.106 111 D HA -0.253 4.353 4.640 -0.057 0.000 0.191 111 D C 1.449 177.771 176.300 0.036 0.000 0.997 111 D CA 1.808 55.830 54.000 0.037 0.000 0.834 111 D CB -0.773 40.038 40.800 0.018 0.000 0.956 111 D HN 0.262 nan 8.370 nan 0.000 0.448 112 D N -0.351 120.072 120.400 0.038 0.000 2.117 112 D HA -0.163 4.443 4.640 -0.057 0.000 0.198 112 D C 2.046 178.370 176.300 0.039 0.000 0.982 112 D CA 0.717 54.728 54.000 0.019 0.000 0.828 112 D CB -0.794 40.009 40.800 0.005 0.000 0.967 112 D HN 0.297 nan 8.370 nan 0.000 0.464 113 Y N 1.988 122.272 120.300 -0.026 0.000 2.165 113 Y HA -0.239 4.282 4.550 -0.048 0.000 0.286 113 Y C 2.321 178.216 175.900 -0.008 0.000 1.155 113 Y CA 1.661 59.754 58.100 -0.012 0.000 1.164 113 Y CB -0.462 38.012 38.460 0.024 0.000 0.978 113 Y HN -0.045 nan 8.280 nan 0.000 0.513 114 A N -0.079 122.746 122.820 0.008 0.000 1.898 114 A HA -0.221 4.065 4.320 -0.057 0.000 0.216 114 A C 2.261 179.781 177.584 -0.107 0.000 1.181 114 A CA 1.753 53.745 52.037 -0.075 0.000 0.620 114 A CB -0.906 18.103 19.000 0.016 0.000 0.819 114 A HN 0.632 nan 8.150 nan 0.000 0.442 115 E N -0.603 119.557 120.200 -0.068 0.000 2.153 115 E HA -0.189 4.127 4.350 -0.057 0.000 0.194 115 E C 1.856 178.395 176.600 -0.103 0.000 0.988 115 E CA 1.224 57.583 56.400 -0.068 0.000 0.811 115 E CB -0.154 29.518 29.700 -0.047 0.000 0.746 115 E HN 0.449 nan 8.360 nan 0.000 0.466 116 L N 0.889 122.020 121.223 -0.153 0.000 2.056 116 L HA -0.123 4.183 4.340 -0.057 0.000 0.207 116 L C 2.045 178.799 176.870 -0.193 0.000 1.078 116 L CA 1.477 56.202 54.840 -0.192 0.000 0.749 116 L CB -0.462 41.423 42.059 -0.289 0.000 0.901 116 L HN 0.210 nan 8.230 nan 0.000 0.433 117 L N -0.593 120.465 121.223 -0.274 0.000 2.046 117 L HA -0.215 4.091 4.340 -0.057 0.000 0.208 117 L C 2.317 179.108 176.870 -0.132 0.000 1.077 117 L CA 1.382 56.081 54.840 -0.235 0.000 0.747 117 L CB -0.874 41.002 42.059 -0.305 0.000 0.896 117 L HN 0.301 nan 8.230 nan 0.000 0.432 118 D N -0.682 119.655 120.400 -0.105 0.000 2.078 118 D HA -0.201 4.405 4.640 -0.057 0.000 0.193 118 D C 2.202 178.479 176.300 -0.039 0.000 0.990 118 D CA 2.115 56.080 54.000 -0.059 0.000 0.827 118 D CB -0.406 40.369 40.800 -0.041 0.000 0.975 118 D HN 0.269 nan 8.370 nan 0.000 0.451 119 T N 0.388 114.920 114.554 -0.038 0.000 2.720 119 T HA -0.177 4.139 4.350 -0.057 0.000 0.268 119 T C 1.996 176.691 174.700 -0.009 0.000 1.037 119 T CA 0.789 62.883 62.100 -0.010 0.000 1.144 119 T CB -0.291 68.576 68.868 -0.002 0.000 0.864 119 T HN -0.077 nan 8.240 nan 0.000 0.444 120 L N 1.281 122.486 121.223 -0.030 0.000 2.083 120 L HA 0.064 4.370 4.340 -0.057 0.000 0.209 120 L C 2.920 179.772 176.870 -0.030 0.000 1.083 120 L CA 1.665 56.486 54.840 -0.031 0.000 0.752 120 L CB -1.116 40.928 42.059 -0.025 0.000 0.899 120 L HN 0.311 nan 8.230 nan 0.000 0.433 121 S N -0.856 114.819 115.700 -0.041 0.000 2.371 121 S HA -0.093 4.343 4.470 -0.057 0.000 0.224 121 S C 2.132 176.754 174.600 0.037 0.000 1.029 121 S CA 0.875 59.055 58.200 -0.034 0.000 0.978 121 S CB -0.331 62.832 63.200 -0.063 0.000 0.833 121 S HN 0.550 nan 8.310 nan 0.000 0.466 122 A N 2.146 124.986 122.820 0.033 0.000 1.873 122 A HA -0.184 4.102 4.320 -0.057 0.000 0.218 122 A C 2.168 179.799 177.584 0.079 0.000 1.193 122 A CA 1.924 53.996 52.037 0.058 0.000 0.629 122 A CB -0.743 18.284 19.000 0.044 0.000 0.826 122 A HN 0.509 nan 8.150 nan 0.000 0.447 123 M N -1.340 118.298 119.600 0.064 0.000 2.132 123 M HA -0.134 4.312 4.480 -0.057 0.000 0.263 123 M C 2.220 178.585 176.300 0.108 0.000 1.065 123 M CA 1.906 57.252 55.300 0.077 0.000 1.122 123 M CB -0.550 32.075 32.600 0.042 0.000 1.365 123 M HN 0.643 nan 8.290 nan 0.000 0.411 124 E N 0.988 121.240 120.200 0.087 0.000 2.038 124 E HA -0.216 4.099 4.350 -0.057 0.000 0.195 124 E C 2.013 178.773 176.600 0.268 0.000 1.000 124 E CA 2.200 58.686 56.400 0.144 0.000 0.803 124 E CB 0.059 29.837 29.700 0.129 0.000 0.750 124 E HN 0.548 nan 8.360 nan 0.000 0.448 125 S N 0.498 116.352 115.700 0.256 0.000 2.406 125 S HA -0.147 4.289 4.470 -0.057 0.000 0.228 125 S C 1.876 176.592 174.600 0.193 0.000 1.020 125 S CA 1.016 59.367 58.200 0.251 0.000 0.965 125 S CB -0.471 62.880 63.200 0.251 0.000 0.798 125 S HN 0.325 nan 8.310 nan 0.000 0.488 126 N N 0.977 119.779 118.700 0.170 0.000 2.104 126 N HA -0.171 4.534 4.740 -0.057 0.000 0.190 126 N C 1.571 177.171 175.510 0.149 0.000 1.024 126 N CA 1.537 54.663 53.050 0.128 0.000 0.853 126 N CB -0.445 38.102 38.487 0.101 0.000 1.008 126 N HN 0.488 nan 8.380 nan 0.000 0.424 127 F N 1.780 121.776 119.950 0.076 0.000 2.046 127 F HA -0.108 4.381 4.527 -0.063 0.000 0.297 127 F C 2.496 178.394 175.800 0.164 0.000 1.123 127 F CA 2.065 60.134 58.000 0.115 0.000 1.199 127 F CB -0.735 38.358 39.000 0.155 0.000 0.972 127 F HN 0.108 nan 8.300 nan 0.000 0.474 128 A N -0.247 122.806 122.820 0.388 0.000 2.024 128 A HA -0.200 4.086 4.320 -0.057 0.000 0.220 128 A C 1.988 179.627 177.584 0.092 0.000 1.164 128 A CA 1.675 53.856 52.037 0.242 0.000 0.643 128 A CB -0.699 18.458 19.000 0.262 0.000 0.806 128 A HN 0.511 nan 8.150 nan 0.000 0.451 129 K N -0.155 120.292 120.400 0.078 0.000 2.437 129 K HA 0.240 4.526 4.320 -0.057 0.000 0.198 129 K C -0.396 176.215 176.600 0.018 0.000 1.024 129 K CA -0.293 56.018 56.287 0.041 0.000 1.148 129 K CB 0.301 32.830 32.500 0.047 0.000 0.860 129 K HN 0.269 nan 8.250 nan 0.000 0.515 130 V N 2.524 122.434 119.914 -0.008 0.000 2.740 130 V HA 0.017 4.103 4.120 -0.057 0.000 0.303 130 V C 0.285 176.396 176.094 0.029 0.000 1.054 130 V CA 0.337 62.630 62.300 -0.010 0.000 1.106 130 V CB 0.684 32.486 31.823 -0.035 0.000 0.957 130 V HN 0.135 nan 8.190 nan 0.000 0.486 131 K N 3.282 123.705 120.400 0.038 0.000 2.525 131 K HA 0.626 4.912 4.320 -0.057 0.000 0.254 131 K C -1.047 175.598 176.600 0.075 0.000 0.934 131 K CA -0.455 55.867 56.287 0.058 0.000 0.802 131 K CB 2.301 34.829 32.500 0.047 0.000 1.295 131 K HN 0.563 nan 8.250 nan 0.000 0.433 132 V N -1.734 118.248 119.914 0.114 0.000 3.046 132 V HA 0.648 4.734 4.120 -0.057 0.000 0.316 132 V C -0.121 176.090 176.094 0.194 0.000 1.104 132 V CA -0.923 61.461 62.300 0.140 0.000 1.006 132 V CB 1.868 33.787 31.823 0.160 0.000 1.058 132 V HN 0.782 nan 8.190 nan 0.000 0.440 133 c N 2.485 121.220 118.600 0.224 0.000 2.452 133 c HA 0.380 4.916 4.570 -0.057 0.000 0.379 133 c C 0.438 174.742 174.090 0.356 0.000 1.275 133 c CA -0.239 56.233 56.329 0.239 0.000 2.056 133 c CB -0.183 42.441 42.510 0.190 0.000 2.506 133 c HN 1.018 nan 8.230 nan 0.000 0.560 134 D N 0.997 121.574 120.400 0.296 0.000 2.487 134 D HA -0.116 4.489 4.640 -0.057 0.000 0.243 134 D C 0.746 177.187 176.300 0.235 0.000 1.154 134 D CA 0.262 54.480 54.000 0.363 0.000 0.876 134 D CB 0.338 41.280 40.800 0.238 0.000 1.161 134 D HN 0.710 nan 8.370 nan 0.000 0.478 135 Y N 4.632 124.961 120.300 0.048 0.000 2.228 135 Y HA -0.225 4.291 4.550 -0.057 0.000 0.285 135 Y C 1.251 176.985 175.900 -0.276 0.000 1.178 135 Y CA 1.759 59.578 58.100 -0.468 0.000 1.202 135 Y CB 0.192 38.390 38.460 -0.436 0.000 0.974 135 Y HN 0.390 nan 8.280 nan 0.000 0.527 136 K N -0.273 120.063 120.400 -0.107 0.000 2.455 136 K HA 0.122 4.408 4.320 -0.057 0.000 0.206 136 K C -0.508 176.039 176.600 -0.088 0.000 1.027 136 K CA 0.384 56.565 56.287 -0.177 0.000 1.113 136 K CB 0.628 33.084 32.500 -0.074 0.000 0.850 136 K HN 0.031 nan 8.250 nan 0.000 0.503 137 D N 0.470 120.840 120.400 -0.049 0.000 2.881 137 D HA -0.042 4.564 4.640 -0.057 0.000 0.238 137 D C 0.241 176.547 176.300 0.009 0.000 1.368 137 D CA 0.072 54.063 54.000 -0.015 0.000 0.871 137 D CB 0.359 41.170 40.800 0.018 0.000 1.516 137 D HN 0.062 nan 8.370 nan 0.000 0.544 138 S N -0.271 115.419 115.700 -0.017 0.000 2.559 138 S HA -0.132 4.303 4.470 -0.057 0.000 0.250 138 S C 1.467 176.085 174.600 0.029 0.000 0.977 138 S CA 1.090 59.298 58.200 0.013 0.000 0.958 138 S CB -0.164 63.029 63.200 -0.011 0.000 0.751 138 S HN 0.331 nan 8.310 nan 0.000 0.534 139 T N 1.853 116.421 114.554 0.024 0.000 2.976 139 T HA 0.085 4.401 4.350 -0.057 0.000 0.257 139 T C 1.715 176.438 174.700 0.039 0.000 1.051 139 T CA 0.720 62.836 62.100 0.026 0.000 1.141 139 T CB -0.047 68.831 68.868 0.016 0.000 0.881 139 T HN 0.475 nan 8.240 nan 0.000 0.461 140 K N 0.726 121.156 120.400 0.050 0.000 1.965 140 K HA -0.075 4.211 4.320 -0.057 0.000 0.218 140 K C 1.210 177.850 176.600 0.068 0.000 1.048 140 K CA 1.343 57.665 56.287 0.059 0.000 0.960 140 K CB -0.528 32.015 32.500 0.072 0.000 0.732 140 K HN 0.249 nan 8.250 nan 0.000 0.444 141 c N 1.793 120.449 118.600 0.093 0.000 4.331 141 c HA -0.088 4.448 4.570 -0.057 0.000 0.293 141 c C 0.529 174.667 174.090 0.080 0.000 1.436 141 c CA 0.755 57.142 56.329 0.096 0.000 1.993 141 c CB -2.255 40.300 42.510 0.076 0.000 1.266 141 c HN 0.748 nan 8.230 nan 0.000 0.795 142 D N -0.947 119.499 120.400 0.077 0.000 2.535 142 D HA 0.234 4.840 4.640 -0.057 0.000 0.229 142 D C 0.158 176.493 176.300 0.059 0.000 1.238 142 D CA -0.195 53.840 54.000 0.058 0.000 0.824 142 D CB -0.157 40.669 40.800 0.044 0.000 1.045 142 D HN 0.603 nan 8.370 nan 0.000 0.500 143 L N 1.249 122.521 121.223 0.082 0.000 2.410 143 L HA 0.496 4.802 4.340 -0.057 0.000 0.273 143 L C 0.647 177.545 176.870 0.048 0.000 1.152 143 L CA -0.369 54.511 54.840 0.067 0.000 0.855 143 L CB 1.073 43.196 42.059 0.108 0.000 1.129 143 L HN 0.053 nan 8.230 nan 0.000 0.463 144 A N 2.510 125.338 122.820 0.013 0.000 2.322 144 A HA 0.486 4.771 4.320 -0.057 0.000 0.327 144 A C 0.404 177.961 177.584 -0.045 0.000 1.134 144 A CA -0.668 51.370 52.037 0.001 0.000 0.831 144 A CB 1.192 20.195 19.000 0.005 0.000 1.288 144 A HN 0.687 nan 8.150 nan 0.000 0.472 145 L N 0.341 121.522 121.223 -0.071 0.000 1.970 145 L HA -0.148 4.158 4.340 -0.057 0.000 0.212 145 L C 1.911 178.727 176.870 -0.090 0.000 1.071 145 L CA 2.885 57.627 54.840 -0.164 0.000 0.751 145 L CB -0.608 41.305 42.059 -0.244 0.000 0.889 145 L HN 0.925 nan 8.230 nan 0.000 0.432 146 D N -0.424 119.966 120.400 -0.017 0.000 2.240 146 D HA -0.166 4.440 4.640 -0.057 0.000 0.204 146 D C -0.799 175.496 176.300 -0.008 0.000 1.018 146 D CA 2.393 56.403 54.000 0.017 0.000 0.887 146 D CB -1.197 39.625 40.800 0.037 0.000 1.087 146 D HN 0.284 nan 8.370 nan 0.000 0.464 147 P HA -0.119 nan 4.420 nan 0.000 0.198 147 P C 1.214 178.487 177.300 -0.046 0.000 1.043 147 P CA 1.427 64.518 63.100 -0.015 0.000 0.892 147 P CB -0.202 31.495 31.700 -0.004 0.000 0.701 148 E N 0.224 120.392 120.200 -0.052 0.000 2.072 148 E HA -0.215 4.101 4.350 -0.057 0.000 0.218 148 E C 2.208 178.699 176.600 -0.180 0.000 1.051 148 E CA 1.746 58.092 56.400 -0.090 0.000 0.880 148 E CB -1.580 28.082 29.700 -0.064 0.000 0.783 148 E HN 0.322 nan 8.360 nan 0.000 0.473 149 I N 0.729 121.167 120.570 -0.221 0.000 2.163 149 I HA -0.294 3.842 4.170 -0.057 0.000 0.243 149 I C 2.277 178.229 176.117 -0.275 0.000 1.085 149 I CA 1.517 62.613 61.300 -0.340 0.000 1.347 149 I CB -0.421 37.392 38.000 -0.311 0.000 1.044 149 I HN 0.155 nan 8.210 nan 0.000 0.408 150 E N 0.511 120.596 120.200 -0.191 0.000 2.204 150 E HA -0.219 4.096 4.350 -0.057 0.000 0.195 150 E C 2.029 178.573 176.600 -0.093 0.000 0.990 150 E CA 0.956 57.278 56.400 -0.130 0.000 0.821 150 E CB -0.022 29.652 29.700 -0.045 0.000 0.750 150 E HN 0.557 nan 8.360 nan 0.000 0.477 151 E N 0.111 120.252 120.200 -0.097 0.000 2.076 151 E HA -0.110 4.205 4.350 -0.057 0.000 0.190 151 E C 2.216 178.769 176.600 -0.078 0.000 0.979 151 E CA 0.722 57.082 56.400 -0.067 0.000 0.807 151 E CB 0.175 29.843 29.700 -0.055 0.000 0.761 151 E HN 0.075 nan 8.360 nan 0.000 0.454 152 V N 2.124 121.950 119.914 -0.147 0.000 2.237 152 V HA -0.252 3.834 4.120 -0.057 0.000 0.245 152 V C 2.310 178.359 176.094 -0.075 0.000 1.046 152 V CA 1.289 63.504 62.300 -0.143 0.000 1.007 152 V CB -0.379 31.222 31.823 -0.370 0.000 0.638 152 V HN 0.280 nan 8.190 nan 0.000 0.445 153 I N 0.315 120.824 120.570 -0.101 0.000 2.315 153 I HA -0.238 3.898 4.170 -0.057 0.000 0.251 153 I C 2.612 178.717 176.117 -0.020 0.000 1.125 153 I CA 2.154 63.429 61.300 -0.043 0.000 1.392 153 I CB -1.364 36.587 38.000 -0.083 0.000 1.065 153 I HN 0.400 nan 8.210 nan 0.000 0.424 154 S N -0.048 115.637 115.700 -0.024 0.000 2.446 154 S HA -0.043 4.393 4.470 -0.057 0.000 0.225 154 S C 1.828 176.436 174.600 0.013 0.000 1.016 154 S CA 0.863 59.065 58.200 0.004 0.000 0.943 154 S CB 0.172 63.375 63.200 0.006 0.000 0.786 154 S HN 0.482 nan 8.310 nan 0.000 0.508 155 K N 0.347 120.752 120.400 0.009 0.000 2.387 155 K HA 0.257 4.543 4.320 -0.057 0.000 0.197 155 K C 0.765 177.387 176.600 0.038 0.000 1.127 155 K CA 0.008 56.307 56.287 0.020 0.000 0.950 155 K CB 0.076 32.585 32.500 0.015 0.000 1.017 155 K HN 0.175 nan 8.250 nan 0.000 0.519 156 S N 1.233 116.962 115.700 0.048 0.000 2.563 156 S HA 0.036 4.472 4.470 -0.057 0.000 0.284 156 S C 0.502 175.171 174.600 0.116 0.000 1.331 156 S CA -0.057 58.192 58.200 0.083 0.000 1.047 156 S CB 0.385 63.642 63.200 0.095 0.000 0.859 156 S HN 0.164 nan 8.310 nan 0.000 0.514 157 R N 2.737 123.329 120.500 0.154 0.000 2.668 157 R HA 0.223 4.528 4.340 -0.057 0.000 0.435 157 R C -1.219 175.288 176.300 0.345 0.000 1.059 157 R CA -0.243 56.010 56.100 0.254 0.000 1.073 157 R CB -0.358 30.031 30.300 0.149 0.000 1.401 157 R HN 0.625 nan 8.270 nan 0.000 0.590 158 D N 0.169 120.715 120.400 0.244 0.000 2.464 158 D HA 0.075 4.681 4.640 -0.057 0.000 0.243 158 D C 1.447 177.789 176.300 0.070 0.000 1.104 158 D CA -0.429 53.679 54.000 0.181 0.000 0.883 158 D CB 0.610 41.471 40.800 0.102 0.000 1.050 158 D HN 0.319 nan 8.370 nan 0.000 0.524 159 H N 1.966 121.063 119.070 0.044 0.000 2.394 159 H HA -0.167 4.355 4.556 -0.057 0.000 0.297 159 H C 1.048 176.383 175.328 0.011 0.000 1.113 159 H CA 1.718 57.684 56.048 -0.136 0.000 1.277 159 H CB 0.028 29.600 29.762 -0.317 0.000 1.370 159 H HN 0.457 nan 8.280 nan 0.000 0.506 160 E N 0.354 120.124 120.200 -0.717 0.000 2.106 160 E HA -0.201 4.115 4.350 -0.057 0.000 0.192 160 E C 2.249 178.659 176.600 -0.318 0.000 0.984 160 E CA 1.097 57.239 56.400 -0.429 0.000 0.806 160 E CB -0.023 29.446 29.700 -0.386 0.000 0.750 160 E HN 0.813 nan 8.360 nan 0.000 0.458 161 E N 1.076 121.065 120.200 -0.351 0.000 2.107 161 E HA -0.157 4.159 4.350 -0.057 0.000 0.191 161 E C 2.011 178.507 176.600 -0.172 0.000 0.982 161 E CA 0.560 56.587 56.400 -0.621 0.000 0.809 161 E CB 0.027 29.546 29.700 -0.301 0.000 0.756 161 E HN 0.208 nan 8.360 nan 0.000 0.459 162 L N 0.509 121.749 121.223 0.027 0.000 2.201 162 L HA -0.054 4.252 4.340 -0.057 0.000 0.212 162 L C 2.605 179.610 176.870 0.225 0.000 1.105 162 L CA 0.803 55.755 54.840 0.185 0.000 0.775 162 L CB -0.334 41.809 42.059 0.140 0.000 0.913 162 L HN 0.223 nan 8.230 nan 0.000 0.440 163 A N -0.426 122.463 122.820 0.116 0.000 1.873 163 A HA -0.267 4.019 4.320 -0.057 0.000 0.215 163 A C 2.190 179.793 177.584 0.031 0.000 1.186 163 A CA 1.391 53.401 52.037 -0.047 0.000 0.616 163 A CB -0.836 18.085 19.000 -0.131 0.000 0.823 163 A HN 0.431 nan 8.150 nan 0.000 0.442 164 Y N -0.434 119.750 120.300 -0.193 0.000 2.053 164 Y HA -0.317 4.199 4.550 -0.056 0.000 0.277 164 Y C 2.168 177.975 175.900 -0.155 0.000 1.159 164 Y CA 2.108 60.055 58.100 -0.255 0.000 1.125 164 Y CB -0.913 37.170 38.460 -0.628 0.000 0.969 164 Y HN 0.367 nan 8.280 nan 0.000 0.492 165 Y N -1.556 118.635 120.300 -0.182 0.000 2.333 165 Y HA -0.223 4.292 4.550 -0.058 0.000 0.290 165 Y C 2.262 178.148 175.900 -0.022 0.000 1.144 165 Y CA 1.337 59.326 58.100 -0.185 0.000 1.228 165 Y CB -1.096 37.347 38.460 -0.027 0.000 0.985 165 Y HN 0.424 nan 8.280 nan 0.000 0.542 166 W N 0.849 122.170 121.300 0.034 0.000 2.418 166 W HA -0.140 4.488 4.660 -0.053 0.000 0.319 166 W C 2.816 179.386 176.519 0.085 0.000 1.183 166 W CA 2.141 59.526 57.345 0.066 0.000 1.327 166 W CB -0.533 28.863 29.460 -0.107 0.000 1.163 166 W HN -0.148 nan 8.180 nan 0.000 0.479 167 R N 0.452 121.117 120.500 0.275 0.000 2.113 167 R HA -0.233 4.073 4.340 -0.057 0.000 0.244 167 R C 2.068 178.331 176.300 -0.063 0.000 1.142 167 R CA 2.192 58.362 56.100 0.117 0.000 0.953 167 R CB -0.606 29.764 30.300 0.117 0.000 0.860 167 R HN 0.142 nan 8.270 nan 0.000 0.438 168 E N -0.311 119.788 120.200 -0.170 0.000 2.153 168 E HA -0.210 4.106 4.350 -0.057 0.000 0.194 168 E C 1.687 178.230 176.600 -0.094 0.000 0.988 168 E CA 1.063 57.343 56.400 -0.200 0.000 0.811 168 E CB -0.283 29.150 29.700 -0.445 0.000 0.746 168 E HN 0.375 nan 8.360 nan 0.000 0.466 169 F N -0.128 119.724 119.950 -0.164 0.000 2.270 169 F HA -0.098 4.393 4.527 -0.060 0.000 0.295 169 F C 1.872 177.538 175.800 -0.224 0.000 1.087 169 F CA 0.774 58.669 58.000 -0.176 0.000 1.365 169 F CB -0.201 38.688 39.000 -0.185 0.000 1.056 169 F HN -0.094 nan 8.300 nan 0.000 0.506 170 Y N 0.679 120.620 120.300 -0.597 0.000 2.373 170 Y HA -0.125 4.393 4.550 -0.053 0.000 0.293 170 Y C 2.133 177.795 175.900 -0.398 0.000 1.129 170 Y CA 1.314 59.044 58.100 -0.617 0.000 1.226 170 Y CB -0.607 37.348 38.460 -0.841 0.000 1.000 170 Y HN 0.057 nan 8.280 nan 0.000 0.549 171 D N -0.366 119.935 120.400 -0.165 0.000 2.183 171 D HA -0.091 4.514 4.640 -0.057 0.000 0.203 171 D C 1.787 178.010 176.300 -0.130 0.000 0.969 171 D CA 1.127 55.074 54.000 -0.088 0.000 0.842 171 D CB -0.003 40.774 40.800 -0.039 0.000 0.957 171 D HN 0.327 nan 8.370 nan 0.000 0.484 172 K N 0.555 120.817 120.400 -0.231 0.000 2.044 172 K HA 0.148 4.434 4.320 -0.057 0.000 0.204 172 K C 2.126 178.560 176.600 -0.276 0.000 1.045 172 K CA 0.823 56.982 56.287 -0.215 0.000 0.951 172 K CB 0.030 32.404 32.500 -0.209 0.000 0.738 172 K HN -0.040 nan 8.250 nan 0.000 0.443 173 A N 0.948 123.438 122.820 -0.550 0.000 1.969 173 A HA -0.009 4.277 4.320 -0.057 0.000 0.218 173 A C 2.060 179.492 177.584 -0.253 0.000 1.169 173 A CA 1.856 53.592 52.037 -0.500 0.000 0.635 173 A CB -0.609 17.742 19.000 -1.083 0.000 0.810 173 A HN 0.425 nan 8.150 nan 0.000 0.445 174 G N -1.714 106.924 108.800 -0.270 0.000 2.764 174 G HA2 0.143 4.069 3.960 -0.057 0.000 0.218 174 G HA3 0.143 4.069 3.960 -0.057 0.000 0.218 174 G C 1.439 176.376 174.900 0.061 0.000 1.304 174 G CA 1.092 46.109 45.100 -0.138 0.000 0.847 174 G HN 0.298 nan 8.290 nan 0.000 0.610 175 T N 2.541 117.140 114.554 0.075 0.000 2.564 175 T HA -0.267 4.048 4.350 -0.057 0.000 0.264 175 T C 2.672 177.439 174.700 0.113 0.000 1.100 175 T CA 2.485 64.676 62.100 0.151 0.000 1.171 175 T CB -0.842 68.087 68.868 0.102 0.000 0.863 175 T HN 0.453 nan 8.240 nan 0.000 0.430 176 A N -0.046 122.803 122.820 0.049 0.000 2.148 176 A HA -0.039 4.247 4.320 -0.057 0.000 0.222 176 A C 2.104 179.724 177.584 0.060 0.000 1.161 176 A CA 1.416 53.477 52.037 0.040 0.000 0.662 176 A CB -0.580 18.426 19.000 0.009 0.000 0.799 176 A HN 0.424 nan 8.150 nan 0.000 0.466 177 V N -0.892 119.078 119.914 0.094 0.000 3.006 177 V HA 0.173 4.258 4.120 -0.057 0.000 0.357 177 V C 1.608 177.798 176.094 0.159 0.000 1.377 177 V CA 0.196 62.566 62.300 0.117 0.000 1.198 177 V CB -0.508 31.387 31.823 0.121 0.000 1.216 177 V HN 0.664 nan 8.190 nan 0.000 0.520 178 R N 0.649 121.204 120.500 0.092 0.000 2.073 178 R HA -0.141 4.165 4.340 -0.057 0.000 0.234 178 R C 2.503 178.768 176.300 -0.059 0.000 1.134 178 R CA 2.221 58.241 56.100 -0.133 0.000 0.952 178 R CB -0.178 29.969 30.300 -0.256 0.000 0.850 178 R HN 0.706 nan 8.270 nan 0.000 0.433 179 S N 0.273 115.964 115.700 -0.016 0.000 2.353 179 S HA -0.244 4.192 4.470 -0.057 0.000 0.222 179 S C 1.948 176.577 174.600 0.048 0.000 1.035 179 S CA 1.415 59.611 58.200 -0.007 0.000 1.025 179 S CB -0.440 62.756 63.200 -0.007 0.000 0.902 179 S HN 0.399 nan 8.310 nan 0.000 0.440 180 Q N 0.428 120.276 119.800 0.079 0.000 2.061 180 Q HA 0.021 4.327 4.340 -0.057 0.000 0.204 180 Q C 1.874 177.971 176.000 0.160 0.000 0.984 180 Q CA 1.793 57.652 55.803 0.094 0.000 0.846 180 Q CB -0.740 28.052 28.738 0.090 0.000 0.902 180 Q HN 0.676 nan 8.270 nan 0.000 0.421 181 F N 1.219 121.228 119.950 0.098 0.000 2.202 181 F HA -0.224 4.267 4.527 -0.061 0.000 0.301 181 F C 2.066 178.066 175.800 0.335 0.000 1.082 181 F CA 1.663 59.791 58.000 0.213 0.000 1.313 181 F CB 0.007 39.172 39.000 0.275 0.000 1.024 181 F HN 0.140 nan 8.300 nan 0.000 0.495 182 E N -0.189 120.148 120.200 0.230 0.000 2.107 182 E HA -0.243 4.073 4.350 -0.057 0.000 0.191 182 E C 2.326 178.955 176.600 0.049 0.000 0.982 182 E CA 0.823 57.333 56.400 0.183 0.000 0.809 182 E CB -0.126 29.561 29.700 -0.022 0.000 0.756 182 E HN 0.322 nan 8.360 nan 0.000 0.459 183 R N -0.557 119.952 120.500 0.016 0.000 2.189 183 R HA -0.152 4.154 4.340 -0.057 0.000 0.218 183 R C 2.146 178.409 176.300 -0.062 0.000 1.074 183 R CA 1.077 57.159 56.100 -0.029 0.000 0.991 183 R CB -0.338 29.947 30.300 -0.024 0.000 0.883 183 R HN 0.291 nan 8.270 nan 0.000 0.457 184 Y N -0.482 119.701 120.300 -0.194 0.000 2.200 184 Y HA -0.122 4.393 4.550 -0.057 0.000 0.290 184 Y C 1.653 177.353 175.900 -0.333 0.000 1.137 184 Y CA 1.544 59.480 58.100 -0.274 0.000 1.163 184 Y CB -0.358 37.924 38.460 -0.296 0.000 0.988 184 Y HN -0.132 nan 8.280 nan 0.000 0.518 185 V N 1.341 120.938 119.914 -0.529 0.000 2.358 185 V HA -0.271 3.815 4.120 -0.057 0.000 0.246 185 V C 2.191 178.044 176.094 -0.401 0.000 1.047 185 V CA 2.275 64.231 62.300 -0.575 0.000 1.035 185 V CB -0.629 31.106 31.823 -0.147 0.000 0.658 185 V HN 0.473 nan 8.190 nan 0.000 0.452 186 E N 0.209 120.277 120.200 -0.220 0.000 2.038 186 E HA -0.217 4.099 4.350 -0.057 0.000 0.195 186 E C 2.203 178.665 176.600 -0.229 0.000 1.000 186 E CA 1.460 57.760 56.400 -0.167 0.000 0.803 186 E CB -0.251 29.388 29.700 -0.102 0.000 0.750 186 E HN 0.486 nan 8.360 nan 0.000 0.448 187 L N 1.373 122.432 121.223 -0.273 0.000 2.217 187 L HA -0.128 4.178 4.340 -0.057 0.000 0.211 187 L C 2.505 179.135 176.870 -0.399 0.000 1.107 187 L CA 0.577 55.245 54.840 -0.287 0.000 0.783 187 L CB -0.684 41.207 42.059 -0.279 0.000 0.919 187 L HN 0.256 nan 8.230 nan 0.000 0.442 188 N N 0.429 118.775 118.700 -0.590 0.000 2.058 188 N HA -0.171 4.535 4.740 -0.057 0.000 0.191 188 N C 1.637 176.857 175.510 -0.482 0.000 1.037 188 N CA 2.218 54.857 53.050 -0.684 0.000 0.848 188 N CB 0.027 37.812 38.487 -1.170 0.000 1.021 188 N HN 0.213 nan 8.380 nan 0.000 0.422 189 T N 1.298 115.585 114.554 -0.446 0.000 2.708 189 T HA -0.142 4.174 4.350 -0.057 0.000 0.266 189 T C 1.921 176.523 174.700 -0.164 0.000 1.037 189 T CA 1.353 63.287 62.100 -0.277 0.000 1.146 189 T CB -0.197 68.559 68.868 -0.188 0.000 0.865 189 T HN 0.361 nan 8.240 nan 0.000 0.435 190 K N 1.182 121.490 120.400 -0.155 0.000 2.032 190 K HA -0.106 4.180 4.320 -0.057 0.000 0.209 190 K C 2.522 179.087 176.600 -0.057 0.000 1.048 190 K CA 1.409 57.640 56.287 -0.093 0.000 0.927 190 K CB -0.404 32.041 32.500 -0.092 0.000 0.712 190 K HN 0.285 nan 8.250 nan 0.000 0.441 191 A N 0.737 123.520 122.820 -0.062 0.000 1.978 191 A HA -0.118 4.168 4.320 -0.057 0.000 0.220 191 A C 2.265 179.892 177.584 0.070 0.000 1.170 191 A CA 1.925 53.982 52.037 0.033 0.000 0.636 191 A CB -0.729 18.346 19.000 0.126 0.000 0.810 191 A HN 0.515 nan 8.150 nan 0.000 0.448 192 A N -0.299 122.541 122.820 0.032 0.000 1.968 192 A HA -0.075 4.211 4.320 -0.057 0.000 0.217 192 A C 2.055 179.715 177.584 0.127 0.000 1.169 192 A CA 1.540 53.651 52.037 0.123 0.000 0.638 192 A CB -0.301 18.707 19.000 0.014 0.000 0.812 192 A HN 0.540 nan 8.150 nan 0.000 0.446 193 K N -0.838 119.584 120.400 0.037 0.000 2.296 193 K HA 0.071 4.357 4.320 -0.057 0.000 0.200 193 K C 1.163 177.758 176.600 -0.007 0.000 1.048 193 K CA 0.415 56.710 56.287 0.013 0.000 0.966 193 K CB -0.129 32.366 32.500 -0.009 0.000 0.754 193 K HN 0.275 nan 8.250 nan 0.000 0.466 194 L N 1.525 122.750 121.223 0.004 0.000 2.622 194 L HA -0.037 4.269 4.340 -0.057 0.000 0.233 194 L C 0.549 177.408 176.870 -0.020 0.000 1.156 194 L CA 1.352 56.189 54.840 -0.005 0.000 0.866 194 L CB -0.336 41.729 42.059 0.010 0.000 0.980 194 L HN 0.179 nan 8.230 nan 0.000 0.448 195 N N -0.453 118.226 118.700 -0.036 0.000 2.197 195 N HA 0.090 4.796 4.740 -0.057 0.000 0.228 195 N C -0.181 175.102 175.510 -0.379 0.000 1.212 195 N CA 0.013 52.978 53.050 -0.142 0.000 0.883 195 N CB 0.500 38.965 38.487 -0.038 0.000 1.107 195 N HN 0.127 nan 8.380 nan 0.000 0.519 196 N N 0.137 118.690 118.700 -0.244 0.000 2.901 196 N HA -0.159 4.547 4.740 -0.057 0.000 0.248 196 N C -0.965 174.375 175.510 -0.283 0.000 1.044 196 N CA 0.699 53.598 53.050 -0.253 0.000 0.847 196 N CB -1.575 36.754 38.487 -0.263 0.000 1.127 196 N HN 0.153 nan 8.380 nan 0.000 0.562 197 F N 0.469 120.413 119.950 -0.010 0.000 2.399 197 F HA 0.333 4.825 4.527 -0.058 0.000 0.328 197 F C 2.278 178.061 175.800 -0.028 0.000 1.084 197 F CA -0.447 57.544 58.000 -0.015 0.000 1.053 197 F CB 0.723 39.711 39.000 -0.021 0.000 1.209 197 F HN -0.233 nan 8.300 nan 0.000 0.502 198 T N -0.120 114.547 114.554 0.188 0.000 2.788 198 T HA -0.019 4.296 4.350 -0.057 0.000 0.268 198 T C 0.487 175.216 174.700 0.048 0.000 1.044 198 T CA 1.605 63.753 62.100 0.080 0.000 1.139 198 T CB -0.219 68.680 68.868 0.051 0.000 0.867 198 T HN 0.659 nan 8.240 nan 0.000 0.454 199 S N -1.649 114.076 115.700 0.042 0.000 2.671 199 S HA 0.515 4.951 4.470 -0.057 0.000 0.270 199 S C 1.158 175.682 174.600 -0.128 0.000 1.166 199 S CA -0.271 57.906 58.200 -0.038 0.000 0.868 199 S CB 0.895 64.087 63.200 -0.014 0.000 1.190 199 S HN 0.097 nan 8.310 nan 0.000 0.494 200 G N 0.452 109.062 108.800 -0.317 0.000 2.443 200 G HA2 0.206 4.132 3.960 -0.057 0.000 0.219 200 G HA3 0.206 4.132 3.960 -0.057 0.000 0.219 200 G C 1.410 176.120 174.900 -0.317 0.000 1.131 200 G CA 1.137 45.883 45.100 -0.590 0.000 0.775 200 G HN 1.258 nan 8.290 nan 0.000 0.547 201 A N 1.380 124.257 122.820 0.095 0.000 1.845 201 A HA -0.045 4.241 4.320 -0.057 0.000 0.215 201 A C 2.189 179.709 177.584 -0.107 0.000 1.195 201 A CA 1.874 53.981 52.037 0.116 0.000 0.616 201 A CB -0.378 18.602 19.000 -0.034 0.000 0.832 201 A HN 0.274 nan 8.150 nan 0.000 0.443 202 E N 0.277 120.384 120.200 -0.154 0.000 2.333 202 E HA -0.083 4.233 4.350 -0.057 0.000 0.198 202 E C 2.009 178.444 176.600 -0.276 0.000 1.007 202 E CA 1.060 57.371 56.400 -0.149 0.000 0.845 202 E CB -0.632 29.047 29.700 -0.036 0.000 0.766 202 E HN 0.611 nan 8.360 nan 0.000 0.507 203 A N 0.443 122.983 122.820 -0.467 0.000 1.930 203 A HA -0.087 4.199 4.320 -0.057 0.000 0.215 203 A C 1.812 179.217 177.584 -0.300 0.000 1.176 203 A CA 0.519 51.982 52.037 -0.956 0.000 0.632 203 A CB -0.588 17.914 19.000 -0.830 0.000 0.819 203 A HN 0.187 nan 8.150 nan 0.000 0.445 204 W N 0.280 121.500 121.300 -0.133 0.000 2.378 204 W HA -0.008 4.614 4.660 -0.062 0.000 0.313 204 W C 2.054 178.612 176.519 0.065 0.000 1.197 204 W CA 0.658 58.026 57.345 0.039 0.000 1.304 204 W CB -1.276 28.366 29.460 0.303 0.000 1.148 204 W HN 0.249 nan 8.180 nan 0.000 0.494 205 L N 0.128 121.564 121.223 0.354 0.000 2.081 205 L HA -0.276 4.030 4.340 -0.057 0.000 0.212 205 L C 2.110 179.079 176.870 0.166 0.000 1.080 205 L CA 1.924 56.944 54.840 0.300 0.000 0.754 205 L CB -1.017 41.110 42.059 0.113 0.000 0.893 205 L HN -0.056 nan 8.230 nan 0.000 0.433 206 D N -0.025 120.390 120.400 0.025 0.000 2.228 206 D HA -0.230 4.376 4.640 -0.057 0.000 0.203 206 D C 1.989 178.277 176.300 -0.020 0.000 0.988 206 D CA 0.989 55.001 54.000 0.020 0.000 0.864 206 D CB 0.098 40.871 40.800 -0.045 0.000 0.928 206 D HN 0.190 nan 8.370 nan 0.000 0.469 207 E N -0.810 119.313 120.200 -0.129 0.000 2.333 207 E HA -0.170 4.146 4.350 -0.057 0.000 0.198 207 E C 1.010 177.322 176.600 -0.480 0.000 1.007 207 E CA 0.650 56.853 56.400 -0.327 0.000 0.845 207 E CB -0.234 29.174 29.700 -0.486 0.000 0.766 207 E HN 0.624 nan 8.360 nan 0.000 0.507 208 Y N 0.492 120.681 120.300 -0.186 0.000 2.457 208 Y HA 0.132 4.649 4.550 -0.056 0.000 0.263 208 Y C 0.165 176.080 175.900 0.024 0.000 1.164 208 Y CA -0.237 57.679 58.100 -0.307 0.000 1.274 208 Y CB 0.025 37.818 38.460 -1.111 0.000 1.097 208 Y HN -0.057 nan 8.280 nan 0.000 0.523 209 E N 1.688 121.968 120.200 0.133 0.000 2.149 209 E HA -0.269 4.046 4.350 -0.057 0.000 0.191 209 E C -0.839 175.876 176.600 0.191 0.000 1.384 209 E CA 0.840 57.327 56.400 0.144 0.000 0.698 209 E CB -0.997 28.764 29.700 0.102 0.000 1.086 209 E HN 0.295 nan 8.360 nan 0.000 0.338 210 D N 0.147 120.681 120.400 0.223 0.000 2.452 210 D HA 0.062 4.668 4.640 -0.057 0.000 0.226 210 D C 0.101 176.557 176.300 0.261 0.000 1.366 210 D CA -0.548 53.616 54.000 0.273 0.000 0.986 210 D CB 0.907 41.986 40.800 0.466 0.000 1.420 210 D HN -0.099 nan 8.370 nan 0.000 0.583 211 D N 1.459 121.970 120.400 0.186 0.000 2.354 211 D HA -0.101 4.505 4.640 -0.057 0.000 0.216 211 D C 1.416 177.812 176.300 0.161 0.000 0.970 211 D CA 1.215 55.306 54.000 0.153 0.000 0.905 211 D CB 0.350 41.217 40.800 0.111 0.000 0.903 211 D HN 0.512 nan 8.370 nan 0.000 0.508 212 T N -3.194 111.480 114.554 0.200 0.000 3.174 212 T HA 0.089 4.405 4.350 -0.057 0.000 0.269 212 T C 1.382 176.213 174.700 0.217 0.000 1.017 212 T CA -0.578 61.626 62.100 0.174 0.000 0.899 212 T CB -0.323 68.628 68.868 0.137 0.000 1.077 212 T HN -0.159 nan 8.240 nan 0.000 0.552 213 F N 2.916 122.940 119.950 0.123 0.000 2.025 213 F HA -0.067 4.426 4.527 -0.057 0.000 0.297 213 F C 2.360 178.214 175.800 0.090 0.000 1.132 213 F CA 2.155 60.222 58.000 0.112 0.000 1.191 213 F CB -0.288 38.777 39.000 0.108 0.000 0.963 213 F HN 0.318 nan 8.300 nan 0.000 0.481 214 E N -0.480 119.863 120.200 0.239 0.000 2.114 214 E HA -0.380 3.935 4.350 -0.057 0.000 0.199 214 E C 2.187 178.886 176.600 0.165 0.000 1.008 214 E CA 1.678 58.211 56.400 0.223 0.000 0.810 214 E CB -0.286 29.512 29.700 0.163 0.000 0.739 214 E HN 0.452 nan 8.360 nan 0.000 0.456 215 Q N 0.547 120.418 119.800 0.119 0.000 2.119 215 Q HA -0.170 4.136 4.340 -0.057 0.000 0.201 215 Q C 1.957 177.993 176.000 0.060 0.000 0.972 215 Q CA 1.844 57.713 55.803 0.110 0.000 0.847 215 Q CB -0.049 28.746 28.738 0.095 0.000 0.903 215 Q HN 0.410 nan 8.270 nan 0.000 0.433 216 Q N -0.405 119.383 119.800 -0.021 0.000 2.084 216 Q HA -0.132 4.173 4.340 -0.057 0.000 0.202 216 Q C 2.092 178.010 176.000 -0.135 0.000 0.978 216 Q CA 1.525 57.277 55.803 -0.085 0.000 0.844 216 Q CB -0.124 28.512 28.738 -0.169 0.000 0.898 216 Q HN 0.399 nan 8.270 nan 0.000 0.426 217 L N 0.201 121.290 121.223 -0.223 0.000 2.109 217 L HA -0.158 4.148 4.340 -0.057 0.000 0.207 217 L C 2.395 179.262 176.870 -0.005 0.000 1.086 217 L CA 0.854 55.530 54.840 -0.274 0.000 0.760 217 L CB -0.237 41.533 42.059 -0.482 0.000 0.910 217 L HN 0.166 nan 8.230 nan 0.000 0.437 218 E N 0.478 120.834 120.200 0.261 0.000 2.153 218 E HA -0.212 4.104 4.350 -0.057 0.000 0.194 218 E C 1.608 178.402 176.600 0.324 0.000 0.988 218 E CA 1.303 57.987 56.400 0.473 0.000 0.811 218 E CB -0.008 29.919 29.700 0.377 0.000 0.746 218 E HN 0.340 nan 8.360 nan 0.000 0.466 219 D N -0.306 120.195 120.400 0.168 0.000 2.077 219 D HA -0.107 4.498 4.640 -0.057 0.000 0.196 219 D C 2.001 178.350 176.300 0.081 0.000 0.986 219 D CA 1.263 55.327 54.000 0.106 0.000 0.829 219 D CB -0.308 40.526 40.800 0.058 0.000 0.983 219 D HN 0.255 nan 8.370 nan 0.000 0.453 220 I N 0.370 120.967 120.570 0.045 0.000 2.264 220 I HA -0.265 3.871 4.170 -0.057 0.000 0.248 220 I C 2.203 178.352 176.117 0.052 0.000 1.111 220 I CA 0.724 62.034 61.300 0.017 0.000 1.382 220 I CB -0.249 37.731 38.000 -0.034 0.000 1.060 220 I HN -0.058 nan 8.210 nan 0.000 0.418 221 F N 1.876 121.833 119.950 0.013 0.000 2.171 221 F HA -0.190 4.303 4.527 -0.056 0.000 0.300 221 F C 2.399 178.259 175.800 0.100 0.000 1.090 221 F CA 1.165 59.212 58.000 0.078 0.000 1.293 221 F CB -0.408 38.737 39.000 0.242 0.000 1.013 221 F HN 0.006 nan 8.300 nan 0.000 0.486 222 A N 0.079 122.841 122.820 -0.097 0.000 1.933 222 A HA -0.174 4.112 4.320 -0.057 0.000 0.218 222 A C 1.942 179.415 177.584 -0.186 0.000 1.175 222 A CA 1.924 53.852 52.037 -0.182 0.000 0.628 222 A CB -0.898 18.101 19.000 -0.001 0.000 0.814 222 A HN 0.455 nan 8.150 nan 0.000 0.444 223 D N -0.411 119.922 120.400 -0.111 0.000 2.149 223 D HA -0.058 4.548 4.640 -0.057 0.000 0.201 223 D C 1.449 177.692 176.300 -0.095 0.000 0.972 223 D CA 0.959 54.912 54.000 -0.077 0.000 0.835 223 D CB -0.194 40.584 40.800 -0.035 0.000 0.966 223 D HN 0.390 nan 8.370 nan 0.000 0.476 224 I N 0.470 120.962 120.570 -0.131 0.000 3.226 224 I HA 0.012 4.148 4.170 -0.057 0.000 0.277 224 I C 2.239 178.274 176.117 -0.137 0.000 1.243 224 I CA 0.150 61.390 61.300 -0.100 0.000 1.459 224 I CB -0.237 37.731 38.000 -0.054 0.000 1.093 224 I HN -0.144 nan 8.210 nan 0.000 0.453 225 R N 1.514 121.810 120.500 -0.339 0.000 2.094 225 R HA -0.198 4.108 4.340 -0.057 0.000 0.239 225 R C -0.505 175.759 176.300 -0.059 0.000 1.137 225 R CA 2.136 58.042 56.100 -0.323 0.000 0.943 225 R CB -1.434 28.519 30.300 -0.578 0.000 0.850 225 R HN 0.170 nan 8.270 nan 0.000 0.433 226 P HA -0.221 nan 4.420 nan 0.000 0.216 226 P C 1.409 178.712 177.300 0.004 0.000 1.154 226 P CA 1.336 64.414 63.100 -0.037 0.000 0.865 226 P CB -0.149 31.524 31.700 -0.045 0.000 0.789 227 L N -2.072 119.159 121.223 0.013 0.000 2.017 227 L HA -0.223 4.083 4.340 -0.057 0.000 0.208 227 L C 2.422 179.336 176.870 0.074 0.000 1.073 227 L CA 1.723 56.586 54.840 0.037 0.000 0.745 227 L CB -0.800 41.272 42.059 0.021 0.000 0.894 227 L HN -0.024 nan 8.230 nan 0.000 0.432 228 Y N 1.147 121.445 120.300 -0.002 0.000 2.315 228 Y HA -0.223 4.293 4.550 -0.056 0.000 0.288 228 Y C 1.565 177.574 175.900 0.183 0.000 1.154 228 Y CA 1.288 59.431 58.100 0.072 0.000 1.229 228 Y CB -0.178 38.347 38.460 0.109 0.000 0.980 228 Y HN 0.327 nan 8.280 nan 0.000 0.540 229 Q N 0.458 120.253 119.800 -0.008 0.000 3.041 229 Q HA 0.095 4.401 4.340 -0.057 0.000 0.372 229 Q C 0.158 176.182 176.000 0.040 0.000 1.241 229 Q CA -0.069 55.732 55.803 -0.004 0.000 1.010 229 Q CB 0.394 29.138 28.738 0.011 0.000 1.467 229 Q HN 0.487 nan 8.270 nan 0.000 0.462 230 Q N -1.055 118.787 119.800 0.069 0.000 2.038 230 Q HA 0.142 4.448 4.340 -0.057 0.000 0.202 230 Q C 1.460 177.582 176.000 0.203 0.000 0.690 230 Q CA 0.275 56.147 55.803 0.114 0.000 0.834 230 Q CB 0.506 29.292 28.738 0.080 0.000 1.250 230 Q HN 0.418 nan 8.270 nan 0.000 0.430 231 I N 0.952 121.620 120.570 0.164 0.000 2.400 231 I HA -0.169 3.967 4.170 -0.057 0.000 0.248 231 I C 2.459 178.777 176.117 0.336 0.000 1.109 231 I CA 0.891 62.339 61.300 0.248 0.000 1.425 231 I CB -0.307 37.736 38.000 0.072 0.000 1.094 231 I HN 0.284 nan 8.210 nan 0.000 0.425 232 H N 1.570 120.693 119.070 0.088 0.000 2.267 232 H HA -0.168 4.353 4.556 -0.057 0.000 0.297 232 H C 2.165 177.631 175.328 0.229 0.000 1.080 232 H CA 2.302 58.444 56.048 0.156 0.000 1.278 232 H CB -0.333 29.395 29.762 -0.057 0.000 1.365 232 H HN 0.307 nan 8.280 nan 0.000 0.489 233 G N -0.907 108.128 108.800 0.391 0.000 2.432 233 G HA2 -0.310 3.616 3.960 -0.057 0.000 0.219 233 G HA3 -0.310 3.616 3.960 -0.057 0.000 0.219 233 G C 1.766 176.832 174.900 0.277 0.000 1.135 233 G CA 0.811 46.111 45.100 0.333 0.000 0.767 233 G HN 0.541 nan 8.290 nan 0.000 0.550 234 Y N 0.867 121.296 120.300 0.216 0.000 2.153 234 Y HA -0.079 4.437 4.550 -0.057 0.000 0.289 234 Y C 2.884 178.970 175.900 0.310 0.000 1.127 234 Y CA 1.532 59.793 58.100 0.269 0.000 1.131 234 Y CB -0.180 38.467 38.460 0.312 0.000 0.995 234 Y HN 0.031 nan 8.280 nan 0.000 0.505 235 V N 1.130 121.276 119.914 0.387 0.000 2.332 235 V HA -0.346 3.740 4.120 -0.057 0.000 0.248 235 V C 2.464 178.562 176.094 0.007 0.000 1.055 235 V CA 2.365 64.806 62.300 0.235 0.000 1.038 235 V CB -0.774 31.202 31.823 0.256 0.000 0.651 235 V HN 0.387 nan 8.190 nan 0.000 0.450 236 R N -0.734 119.747 120.500 -0.032 0.000 2.120 236 R HA -0.204 4.102 4.340 -0.057 0.000 0.234 236 R C 2.224 178.533 176.300 0.015 0.000 1.123 236 R CA 1.817 57.878 56.100 -0.064 0.000 0.975 236 R CB -0.376 29.897 30.300 -0.045 0.000 0.866 236 R HN 0.476 nan 8.270 nan 0.000 0.446 237 F N 1.515 121.395 119.950 -0.117 0.000 2.102 237 F HA -0.129 4.364 4.527 -0.057 0.000 0.298 237 F C 2.075 177.769 175.800 -0.176 0.000 1.105 237 F CA 1.444 59.353 58.000 -0.152 0.000 1.239 237 F CB -0.121 38.738 39.000 -0.234 0.000 0.991 237 F HN -0.084 nan 8.300 nan 0.000 0.474 238 R N 0.634 120.919 120.500 -0.359 0.000 2.066 238 R HA -0.073 4.233 4.340 -0.057 0.000 0.232 238 R C 2.453 178.622 176.300 -0.219 0.000 1.131 238 R CA 1.467 57.337 56.100 -0.384 0.000 0.955 238 R CB -1.391 28.766 30.300 -0.238 0.000 0.851 238 R HN 0.383 nan 8.270 nan 0.000 0.432 239 L N 0.479 121.632 121.223 -0.117 0.000 2.013 239 L HA -0.185 4.121 4.340 -0.057 0.000 0.212 239 L C 2.893 179.775 176.870 0.021 0.000 1.073 239 L CA 1.645 56.484 54.840 -0.002 0.000 0.753 239 L CB -0.441 41.604 42.059 -0.022 0.000 0.890 239 L HN 0.187 nan 8.230 nan 0.000 0.432 240 R N 0.409 120.864 120.500 -0.075 0.000 2.115 240 R HA -0.194 4.111 4.340 -0.057 0.000 0.230 240 R C 2.300 178.514 176.300 -0.142 0.000 1.111 240 R CA 1.439 57.488 56.100 -0.085 0.000 0.976 240 R CB -0.003 30.247 30.300 -0.083 0.000 0.870 240 R HN 0.202 nan 8.270 nan 0.000 0.445 241 K N -1.101 119.143 120.400 -0.260 0.000 2.103 241 K HA -0.187 4.099 4.320 -0.057 0.000 0.204 241 K C 1.926 178.411 176.600 -0.191 0.000 1.052 241 K CA 1.653 57.761 56.287 -0.298 0.000 0.945 241 K CB -0.089 32.104 32.500 -0.512 0.000 0.722 241 K HN 0.272 nan 8.250 nan 0.000 0.443 242 H N -1.489 117.428 119.070 -0.254 0.000 2.317 242 H HA -0.042 4.480 4.556 -0.057 0.000 0.304 242 H C 1.279 176.426 175.328 -0.301 0.000 1.067 242 H CA 1.814 57.687 56.048 -0.292 0.000 1.352 242 H CB 0.094 29.631 29.762 -0.375 0.000 1.398 242 H HN 0.155 nan 8.280 nan 0.000 0.510 243 Y N -0.008 120.248 120.300 -0.073 0.000 2.475 243 Y HA 0.240 4.756 4.550 -0.057 0.000 0.289 243 Y C 1.295 177.085 175.900 -0.184 0.000 1.121 243 Y CA 0.859 58.878 58.100 -0.135 0.000 1.257 243 Y CB 0.329 38.724 38.460 -0.107 0.000 1.026 243 Y HN 0.509 nan 8.280 nan 0.000 0.555 244 G N -0.036 108.743 108.800 -0.035 0.000 2.619 244 G HA2 -0.206 3.720 3.960 -0.057 0.000 0.686 244 G HA3 -0.206 3.720 3.960 -0.057 0.000 0.686 244 G C -0.357 174.497 174.900 -0.076 0.000 1.256 244 G CA -0.344 44.711 45.100 -0.075 0.000 0.826 244 G HN 0.103 nan 8.290 nan 0.000 0.619 245 D N 0.396 120.750 120.400 -0.076 0.000 2.092 245 D HA 0.031 4.637 4.640 -0.057 0.000 0.193 245 D C 2.838 179.088 176.300 -0.082 0.000 0.994 245 D CA 2.715 56.673 54.000 -0.071 0.000 0.828 245 D CB -0.452 40.313 40.800 -0.058 0.000 0.963 245 D HN 1.060 nan 8.370 nan 0.000 0.450 246 A N 0.278 123.046 122.820 -0.085 0.000 1.978 246 A HA -0.153 4.133 4.320 -0.057 0.000 0.220 246 A C 2.359 179.859 177.584 -0.140 0.000 1.170 246 A CA 1.427 53.407 52.037 -0.095 0.000 0.636 246 A CB -0.543 18.408 19.000 -0.081 0.000 0.810 246 A HN 0.192 nan 8.150 nan 0.000 0.448 247 V N -1.255 118.547 119.914 -0.187 0.000 2.575 247 V HA 0.033 4.118 4.120 -0.057 0.000 0.242 247 V C 0.462 176.429 176.094 -0.212 0.000 1.045 247 V CA 1.027 63.156 62.300 -0.285 0.000 1.065 247 V CB 0.279 31.821 31.823 -0.470 0.000 0.717 247 V HN 0.225 nan 8.190 nan 0.000 0.467 248 V N 1.184 121.009 119.914 -0.148 0.000 2.444 248 V HA 0.556 4.642 4.120 -0.057 0.000 0.294 248 V C -0.169 175.871 176.094 -0.090 0.000 1.022 248 V CA -0.475 61.751 62.300 -0.124 0.000 0.850 248 V CB 1.579 33.341 31.823 -0.101 0.000 0.992 248 V HN 0.406 nan 8.190 nan 0.000 0.426 249 S N 2.591 118.242 115.700 -0.082 0.000 2.608 249 S HA 0.697 5.133 4.470 -0.057 0.000 0.291 249 S C -0.406 174.166 174.600 -0.047 0.000 1.146 249 S CA -0.598 57.564 58.200 -0.064 0.000 1.043 249 S CB 2.063 65.224 63.200 -0.065 0.000 1.037 249 S HN 0.720 nan 8.310 nan 0.000 0.520 250 E N 0.764 120.933 120.200 -0.052 0.000 2.392 250 E HA 0.322 4.637 4.350 -0.057 0.000 0.259 250 E C 1.198 177.703 176.600 -0.158 0.000 1.108 250 E CA 1.196 57.557 56.400 -0.064 0.000 0.916 250 E CB 0.368 30.027 29.700 -0.068 0.000 0.989 250 E HN 1.316 nan 8.360 nan 0.000 0.432 251 T N -1.000 113.381 114.554 -0.287 0.000 9.270 251 T HA -0.231 4.085 4.350 -0.057 0.000 0.360 251 T C 0.684 175.417 174.700 0.055 0.000 1.823 251 T CA 1.426 63.312 62.100 -0.356 0.000 2.748 251 T CB -2.157 66.373 68.868 -0.564 0.000 2.671 251 T HN 0.769 nan 8.240 nan 0.000 1.169 252 G N 1.840 110.670 108.800 0.051 0.000 2.477 252 G HA2 0.641 4.567 3.960 -0.057 0.000 0.304 252 G HA3 0.641 4.567 3.960 -0.057 0.000 0.304 252 G C -2.767 172.206 174.900 0.122 0.000 1.175 252 G CA -1.562 43.587 45.100 0.081 0.000 0.907 252 G HN 0.428 nan 8.290 nan 0.000 0.509 253 P HA 0.181 nan 4.420 nan 0.000 0.272 253 P C -0.032 177.209 177.300 -0.097 0.000 1.223 253 P CA -0.297 62.777 63.100 -0.042 0.000 0.784 253 P CB 0.836 32.479 31.700 -0.095 0.000 0.923 254 I N 3.773 124.254 120.570 -0.148 0.000 2.517 254 I HA 0.083 4.219 4.170 -0.057 0.000 0.285 254 I C -1.955 174.020 176.117 -0.236 0.000 1.106 254 I CA -1.851 59.313 61.300 -0.228 0.000 1.402 254 I CB 0.370 38.138 38.000 -0.387 0.000 1.399 254 I HN 0.145 nan 8.210 nan 0.000 0.535 255 P HA 0.094 nan 4.420 nan 0.000 0.267 255 P C 0.030 177.207 177.300 -0.205 0.000 1.209 255 P CA 0.179 63.156 63.100 -0.205 0.000 0.763 255 P CB 0.549 32.175 31.700 -0.123 0.000 0.816 256 M N 3.223 122.701 119.600 -0.203 0.000 1.712 256 M HA -0.082 4.364 4.480 -0.057 0.000 0.092 256 M C 1.874 178.151 176.300 -0.038 0.000 0.945 256 M CA 0.879 56.080 55.300 -0.165 0.000 0.612 256 M CB -0.781 31.693 32.600 -0.210 0.000 0.611 256 M HN 0.676 nan 8.290 nan 0.000 0.323 257 H N -0.873 118.030 119.070 -0.278 0.000 4.542 257 H HA -0.238 4.284 4.556 -0.057 0.000 0.185 257 H C 0.690 175.925 175.328 -0.155 0.000 0.835 257 H CA 2.415 58.365 56.048 -0.164 0.000 1.206 257 H CB -1.920 27.706 29.762 -0.227 0.000 1.067 257 H HN 0.619 nan 8.280 nan 0.000 0.359 258 L N 0.414 121.287 121.223 -0.583 0.000 2.638 258 L HA 0.254 4.560 4.340 -0.057 0.000 0.232 258 L C 2.273 178.970 176.870 -0.289 0.000 1.099 258 L CA 0.206 54.731 54.840 -0.526 0.000 0.883 258 L CB 0.241 41.874 42.059 -0.710 0.000 1.136 258 L HN 0.069 nan 8.230 nan 0.000 0.492 259 L N 0.305 121.343 121.223 -0.308 0.000 2.599 259 L HA 0.207 4.513 4.340 -0.057 0.000 0.230 259 L C 1.418 178.226 176.870 -0.104 0.000 1.141 259 L CA 0.557 55.183 54.840 -0.355 0.000 0.877 259 L CB -0.411 41.234 42.059 -0.688 0.000 1.009 259 L HN 0.449 nan 8.230 nan 0.000 0.447 260 G N 0.673 109.441 108.800 -0.053 0.000 2.148 260 G HA2 -0.304 3.622 3.960 -0.057 0.000 0.254 260 G HA3 -0.304 3.622 3.960 -0.057 0.000 0.254 260 G C 0.019 174.947 174.900 0.047 0.000 0.981 260 G CA 0.198 45.309 45.100 0.018 0.000 0.670 260 G HN 0.467 nan 8.290 nan 0.000 0.528 261 N N -0.757 117.969 118.700 0.043 0.000 2.369 261 N HA 0.349 5.055 4.740 -0.057 0.000 0.287 261 N C 1.177 176.639 175.510 -0.079 0.000 1.067 261 N CA -0.331 52.745 53.050 0.042 0.000 0.888 261 N CB 1.281 39.889 38.487 0.202 0.000 1.616 261 N HN -0.056 nan 8.380 nan 0.000 0.482 262 M N 2.765 122.091 119.600 -0.457 0.000 2.192 262 M HA -0.045 4.401 4.480 -0.057 0.000 0.256 262 M C 0.565 176.496 176.300 -0.615 0.000 1.076 262 M CA 1.870 56.672 55.300 -0.830 0.000 1.075 262 M CB -0.266 31.214 32.600 -1.867 0.000 1.368 262 M HN 0.663 nan 8.290 nan 0.000 0.406 263 W N -1.684 119.815 121.300 0.333 0.000 2.870 263 W HA 0.583 5.209 4.660 -0.056 0.000 0.358 263 W C 1.166 177.844 176.519 0.266 0.000 1.043 263 W CA 0.278 57.861 57.345 0.396 0.000 1.692 263 W CB -0.980 28.641 29.460 0.269 0.000 1.100 263 W HN 0.385 nan 8.180 nan 0.000 0.557 264 A N 1.897 124.916 122.820 0.332 0.000 2.847 264 A HA -0.372 3.914 4.320 -0.057 0.000 0.263 264 A C 1.757 179.572 177.584 0.385 0.000 1.391 264 A CA 2.069 54.315 52.037 0.348 0.000 0.866 264 A CB -2.059 17.127 19.000 0.310 0.000 1.057 264 A HN 0.574 nan 8.150 nan 0.000 0.673 265 Q N -1.294 118.502 119.800 -0.007 0.000 2.291 265 Q HA -0.002 4.304 4.340 -0.057 0.000 0.205 265 Q C 0.766 176.813 176.000 0.077 0.000 0.970 265 Q CA 1.512 57.096 55.803 -0.364 0.000 0.876 265 Q CB 0.008 28.154 28.738 -0.987 0.000 0.935 265 Q HN 0.852 nan 8.270 nan 0.000 0.455 266 Q N -1.284 118.652 119.800 0.227 0.000 2.345 266 Q HA 0.198 4.504 4.340 -0.057 0.000 0.275 266 Q C -1.167 175.112 176.000 0.464 0.000 1.063 266 Q CA -0.706 55.204 55.803 0.179 0.000 0.819 266 Q CB 1.457 30.284 28.738 0.148 0.000 1.356 266 Q HN 0.295 nan 8.270 nan 0.000 0.418 267 W N 0.129 121.479 121.300 0.084 0.000 3.008 267 W HA 0.090 4.715 4.660 -0.058 0.000 0.355 267 W C 1.695 178.253 176.519 0.065 0.000 1.095 267 W CA 0.059 57.445 57.345 0.067 0.000 1.738 267 W CB -0.629 28.868 29.460 0.061 0.000 1.091 267 W HN 0.708 nan 8.180 nan 0.000 0.574 268 S N 0.729 116.571 115.700 0.237 0.000 2.407 268 S HA -0.264 4.172 4.470 -0.057 0.000 0.235 268 S C 1.396 176.100 174.600 0.173 0.000 1.036 268 S CA 1.645 59.956 58.200 0.184 0.000 1.013 268 S CB -0.319 62.974 63.200 0.154 0.000 0.820 268 S HN 0.145 nan 8.310 nan 0.000 0.476 269 E N 1.679 121.975 120.200 0.160 0.000 2.331 269 E HA -0.066 4.250 4.350 -0.057 0.000 0.199 269 E C 1.502 178.161 176.600 0.098 0.000 1.008 269 E CA 1.092 57.560 56.400 0.114 0.000 0.843 269 E CB -0.532 29.226 29.700 0.095 0.000 0.761 269 E HN 1.002 nan 8.360 nan 0.000 0.507 270 I N -3.441 117.202 120.570 0.123 0.000 3.637 270 I HA 0.451 4.587 4.170 -0.057 0.000 0.342 270 I C 1.270 177.459 176.117 0.121 0.000 1.545 270 I CA -0.288 61.062 61.300 0.083 0.000 1.126 270 I CB 0.671 38.703 38.000 0.053 0.000 1.375 270 I HN -0.242 nan 8.210 nan 0.000 0.467 271 A N 1.761 124.670 122.820 0.149 0.000 2.067 271 A HA -0.129 4.157 4.320 -0.057 0.000 0.217 271 A C 2.012 179.670 177.584 0.123 0.000 1.156 271 A CA 1.310 53.465 52.037 0.198 0.000 0.683 271 A CB -0.423 18.705 19.000 0.213 0.000 0.808 271 A HN 0.729 nan 8.150 nan 0.000 0.455 272 D N 0.603 121.041 120.400 0.062 0.000 2.310 272 D HA -0.125 4.481 4.640 -0.057 0.000 0.212 272 D C 1.419 177.698 176.300 -0.036 0.000 0.965 272 D CA 1.424 55.435 54.000 0.019 0.000 0.879 272 D CB -0.286 40.516 40.800 0.002 0.000 0.921 272 D HN 0.711 nan 8.370 nan 0.000 0.510 273 I N -3.209 117.318 120.570 -0.071 0.000 4.327 273 I HA 0.228 4.364 4.170 -0.057 0.000 0.331 273 I C 1.105 177.162 176.117 -0.100 0.000 1.348 273 I CA -0.310 60.878 61.300 -0.186 0.000 1.152 273 I CB 1.179 38.893 38.000 -0.475 0.000 1.151 273 I HN -0.117 nan 8.210 nan 0.000 0.410 274 V N 1.360 121.296 119.914 0.037 0.000 3.398 274 V HA 0.288 4.374 4.120 -0.057 0.000 0.298 274 V C 0.793 177.030 176.094 0.239 0.000 1.496 274 V CA 0.516 62.900 62.300 0.141 0.000 1.044 274 V CB 0.459 32.424 31.823 0.237 0.000 0.880 274 V HN 0.553 nan 8.190 nan 0.000 0.443 275 S N 2.254 118.055 115.700 0.168 0.000 2.549 275 S HA 0.288 4.724 4.470 -0.057 0.000 0.279 275 S C -1.013 173.520 174.600 -0.111 0.000 1.321 275 S CA -0.499 57.722 58.200 0.035 0.000 1.054 275 S CB 0.892 64.172 63.200 0.134 0.000 0.899 275 S HN 0.404 nan 8.310 nan 0.000 0.497 276 P HA -0.030 nan 4.420 nan 0.000 0.222 276 P C -0.307 176.597 177.300 -0.660 0.000 1.147 276 P CA 1.087 63.976 63.100 -0.353 0.000 0.790 276 P CB -0.116 31.309 31.700 -0.458 0.000 0.780 277 F N 0.643 120.553 119.950 -0.066 0.000 2.710 277 F HA 0.333 4.826 4.527 -0.057 0.000 0.345 277 F C -1.639 174.158 175.800 -0.004 0.000 1.362 277 F CA -2.157 55.828 58.000 -0.026 0.000 1.175 277 F CB 1.337 40.299 39.000 -0.062 0.000 1.561 277 F HN -0.148 nan 8.300 nan 0.000 0.593 278 P HA -0.076 nan 4.420 nan 0.000 0.227 278 P C 0.994 178.353 177.300 0.098 0.000 1.161 278 P CA 1.189 64.343 63.100 0.090 0.000 0.788 278 P CB 0.567 32.295 31.700 0.047 0.000 0.822 279 E N 0.194 120.466 120.200 0.119 0.000 2.028 279 E HA -0.053 4.263 4.350 -0.057 0.000 0.191 279 E C 0.633 177.296 176.600 0.105 0.000 0.988 279 E CA 0.757 57.221 56.400 0.108 0.000 0.799 279 E CB -0.047 29.730 29.700 0.129 0.000 0.755 279 E HN 0.204 nan 8.360 nan 0.000 0.447 280 K N 1.902 122.394 120.400 0.153 0.000 2.319 280 K HA 0.103 4.389 4.320 -0.057 0.000 0.265 280 K C -2.292 174.338 176.600 0.051 0.000 1.000 280 K CA -1.676 54.639 56.287 0.047 0.000 0.943 280 K CB -0.279 32.196 32.500 -0.043 0.000 0.950 280 K HN 0.046 nan 8.250 nan 0.000 0.485 281 P HA -0.098 nan 4.420 nan 0.000 0.261 281 P C -0.327 177.067 177.300 0.158 0.000 1.165 281 P CA 0.511 63.658 63.100 0.077 0.000 0.759 281 P CB 0.462 32.183 31.700 0.034 0.000 0.772 282 L N 4.160 125.475 121.223 0.152 0.000 2.295 282 L HA 0.209 4.514 4.340 -0.057 0.000 0.285 282 L C 0.407 177.365 176.870 0.145 0.000 1.035 282 L CA -1.123 53.807 54.840 0.150 0.000 0.806 282 L CB 1.856 43.984 42.059 0.116 0.000 1.214 282 L HN 0.096 nan 8.230 nan 0.000 0.426 283 V N 3.228 123.225 119.914 0.139 0.000 2.157 283 V HA 0.024 4.110 4.120 -0.057 0.000 0.241 283 V C -0.648 175.486 176.094 0.067 0.000 1.349 283 V CA 0.174 62.518 62.300 0.073 0.000 1.319 283 V CB -0.411 31.440 31.823 0.048 0.000 1.421 283 V HN 0.669 nan 8.190 nan 0.000 0.501 284 D N 1.958 122.387 120.400 0.049 0.000 2.795 284 D HA 0.228 4.834 4.640 -0.057 0.000 0.335 284 D C 1.115 177.407 176.300 -0.014 0.000 1.262 284 D CA -0.251 53.767 54.000 0.029 0.000 0.885 284 D CB 1.388 42.213 40.800 0.041 0.000 1.047 284 D HN 0.196 nan 8.370 nan 0.000 0.500 285 V N 0.061 119.951 119.914 -0.041 0.000 2.794 285 V HA -0.268 3.818 4.120 -0.057 0.000 0.260 285 V C 2.482 178.502 176.094 -0.124 0.000 1.103 285 V CA 1.626 63.871 62.300 -0.092 0.000 1.125 285 V CB -0.384 31.372 31.823 -0.113 0.000 0.702 285 V HN 0.486 nan 8.190 nan 0.000 0.494 286 S N 0.441 116.082 115.700 -0.099 0.000 2.389 286 S HA -0.330 4.106 4.470 -0.057 0.000 0.231 286 S C 2.029 176.577 174.600 -0.087 0.000 1.052 286 S CA 2.119 60.260 58.200 -0.098 0.000 1.053 286 S CB -0.266 62.897 63.200 -0.062 0.000 0.886 286 S HN 0.722 nan 8.310 nan 0.000 0.456 287 A N 0.215 122.997 122.820 -0.063 0.000 2.072 287 A HA 0.165 4.451 4.320 -0.057 0.000 0.216 287 A C 2.025 179.567 177.584 -0.069 0.000 1.156 287 A CA 0.747 52.754 52.037 -0.050 0.000 0.701 287 A CB -0.335 18.651 19.000 -0.024 0.000 0.816 287 A HN 0.472 nan 8.150 nan 0.000 0.458 288 E N -0.472 119.669 120.200 -0.099 0.000 2.358 288 E HA -0.022 4.294 4.350 -0.057 0.000 0.195 288 E C 1.790 178.264 176.600 -0.209 0.000 1.010 288 E CA 0.505 56.834 56.400 -0.118 0.000 0.856 288 E CB -0.149 29.483 29.700 -0.113 0.000 0.795 288 E HN 0.690 nan 8.360 nan 0.000 0.504 289 M N -0.075 119.354 119.600 -0.284 0.000 2.098 289 M HA -0.123 4.322 4.480 -0.057 0.000 0.262 289 M C 2.287 178.488 176.300 -0.166 0.000 1.072 289 M CA 1.286 56.301 55.300 -0.476 0.000 1.133 289 M CB -0.172 32.186 32.600 -0.403 0.000 1.344 289 M HN -0.020 nan 8.290 nan 0.000 0.414 290 E N 0.591 120.746 120.200 -0.074 0.000 2.118 290 E HA -0.229 4.087 4.350 -0.057 0.000 0.195 290 E C 1.824 178.432 176.600 0.014 0.000 0.992 290 E CA 1.313 57.713 56.400 -0.000 0.000 0.804 290 E CB 0.122 29.821 29.700 -0.003 0.000 0.741 290 E HN 0.371 nan 8.360 nan 0.000 0.458 291 K N -0.058 120.336 120.400 -0.010 0.000 2.148 291 K HA -0.108 4.178 4.320 -0.057 0.000 0.204 291 K C 1.945 178.563 176.600 0.030 0.000 1.050 291 K CA 0.950 57.240 56.287 0.006 0.000 0.942 291 K CB 0.056 32.551 32.500 -0.008 0.000 0.724 291 K HN 0.198 nan 8.250 nan 0.000 0.446 292 Q N -0.549 119.275 119.800 0.040 0.000 2.365 292 Q HA 0.116 4.421 4.340 -0.057 0.000 0.203 292 Q C 0.079 176.188 176.000 0.182 0.000 0.929 292 Q CA 0.303 56.174 55.803 0.113 0.000 0.948 292 Q CB 0.548 29.374 28.738 0.147 0.000 1.043 292 Q HN 0.337 nan 8.270 nan 0.000 0.505 293 A N -0.332 122.577 122.820 0.148 0.000 2.925 293 A HA -0.250 4.036 4.320 -0.057 0.000 0.265 293 A C -0.465 177.235 177.584 0.193 0.000 1.419 293 A CA 0.313 52.431 52.037 0.135 0.000 0.807 293 A CB -2.520 16.532 19.000 0.086 0.000 1.043 293 A HN 0.554 nan 8.150 nan 0.000 0.600 294 Y N 0.555 120.868 120.300 0.022 0.000 2.597 294 Y HA 0.305 4.820 4.550 -0.057 0.000 0.336 294 Y C 1.556 177.482 175.900 0.042 0.000 1.216 294 Y CA 1.485 59.604 58.100 0.031 0.000 1.463 294 Y CB 0.653 39.126 38.460 0.023 0.000 1.303 294 Y HN 0.738 nan 8.280 nan 0.000 0.576 295 T N 0.758 115.364 114.554 0.087 0.000 2.916 295 T HA 0.325 4.641 4.350 -0.057 0.000 0.292 295 T C -2.325 172.452 174.700 0.129 0.000 1.055 295 T CA -2.307 59.852 62.100 0.098 0.000 1.009 295 T CB 2.050 70.957 68.868 0.064 0.000 1.118 295 T HN 0.198 nan 8.240 nan 0.000 0.497 296 P HA -0.123 nan 4.420 nan 0.000 0.215 296 P C 1.762 179.314 177.300 0.419 0.000 1.163 296 P CA 0.546 63.816 63.100 0.282 0.000 0.894 296 P CB -0.039 31.829 31.700 0.281 0.000 0.791 297 L N 0.316 121.732 121.223 0.322 0.000 1.990 297 L HA -0.212 4.094 4.340 -0.057 0.000 0.213 297 L C 2.254 179.287 176.870 0.271 0.000 1.072 297 L CA 2.169 57.209 54.840 0.332 0.000 0.755 297 L CB -1.402 40.747 42.059 0.149 0.000 0.889 297 L HN -0.192 nan 8.230 nan 0.000 0.432 298 K N -0.450 120.012 120.400 0.104 0.000 2.103 298 K HA -0.182 4.104 4.320 -0.057 0.000 0.207 298 K C 1.893 178.505 176.600 0.019 0.000 1.048 298 K CA 2.153 58.429 56.287 -0.018 0.000 0.930 298 K CB -0.399 31.980 32.500 -0.202 0.000 0.716 298 K HN 0.460 nan 8.250 nan 0.000 0.444 299 M N -0.910 118.734 119.600 0.073 0.000 2.132 299 M HA -0.036 4.410 4.480 -0.057 0.000 0.263 299 M C 1.776 178.087 176.300 0.018 0.000 1.065 299 M CA 1.501 56.827 55.300 0.043 0.000 1.122 299 M CB -0.320 32.288 32.600 0.014 0.000 1.365 299 M HN 0.033 nan 8.290 nan 0.000 0.411 300 F N 0.751 120.816 119.950 0.191 0.000 2.146 300 F HA -0.203 4.289 4.527 -0.057 0.000 0.298 300 F C 2.622 178.620 175.800 0.330 0.000 1.096 300 F CA 1.534 59.689 58.000 0.258 0.000 1.275 300 F CB -0.522 38.743 39.000 0.441 0.000 1.008 300 F HN 0.158 nan 8.300 nan 0.000 0.480 301 Q N -0.526 119.592 119.800 0.530 0.000 2.124 301 Q HA -0.238 4.068 4.340 -0.057 0.000 0.202 301 Q C 2.233 178.381 176.000 0.245 0.000 0.977 301 Q CA 1.658 57.674 55.803 0.355 0.000 0.850 301 Q CB -0.287 28.527 28.738 0.127 0.000 0.901 301 Q HN 0.458 nan 8.270 nan 0.000 0.429 302 M N -0.571 119.140 119.600 0.185 0.000 2.175 302 M HA -0.096 4.350 4.480 -0.057 0.000 0.264 302 M C 2.087 178.547 176.300 0.267 0.000 1.063 302 M CA 1.477 56.902 55.300 0.209 0.000 1.119 302 M CB -0.190 32.526 32.600 0.194 0.000 1.377 302 M HN 0.333 nan 8.290 nan 0.000 0.415 303 G N -0.570 108.293 108.800 0.104 0.000 2.421 303 G HA2 -0.224 3.702 3.960 -0.057 0.000 0.217 303 G HA3 -0.224 3.702 3.960 -0.057 0.000 0.217 303 G C 1.127 176.195 174.900 0.280 0.000 1.143 303 G CA 0.950 46.030 45.100 -0.033 0.000 0.784 303 G HN 0.382 nan 8.290 nan 0.000 0.541 304 D N 0.972 121.536 120.400 0.273 0.000 2.117 304 D HA -0.089 4.517 4.640 -0.057 0.000 0.198 304 D C 1.873 178.365 176.300 0.320 0.000 0.982 304 D CA 1.031 55.197 54.000 0.277 0.000 0.828 304 D CB -0.307 40.688 40.800 0.325 0.000 0.967 304 D HN 0.160 nan 8.370 nan 0.000 0.464 305 D N -0.883 119.700 120.400 0.306 0.000 2.116 305 D HA -0.171 4.435 4.640 -0.057 0.000 0.193 305 D C 1.833 178.298 176.300 0.276 0.000 0.998 305 D CA 0.779 54.945 54.000 0.277 0.000 0.836 305 D CB -0.471 40.512 40.800 0.305 0.000 0.951 305 D HN 0.230 nan 8.370 nan 0.000 0.449 306 F N -0.444 119.667 119.950 0.268 0.000 2.091 306 F HA -0.225 4.268 4.527 -0.056 0.000 0.299 306 F C 1.972 177.691 175.800 -0.134 0.000 1.103 306 F CA 1.284 59.352 58.000 0.112 0.000 1.228 306 F CB -0.208 38.837 39.000 0.075 0.000 0.984 306 F HN -0.049 nan 8.300 nan 0.000 0.477 307 F N 0.063 120.143 119.950 0.216 0.000 2.102 307 F HA -0.248 4.246 4.527 -0.056 0.000 0.298 307 F C 2.836 178.631 175.800 -0.008 0.000 1.105 307 F CA 1.869 59.899 58.000 0.050 0.000 1.239 307 F CB -1.425 37.558 39.000 -0.029 0.000 0.991 307 F HN 0.004 nan 8.300 nan 0.000 0.474 308 T N -3.287 111.373 114.554 0.177 0.000 2.833 308 T HA -0.159 4.156 4.350 -0.057 0.000 0.269 308 T C 2.058 176.732 174.700 -0.043 0.000 1.054 308 T CA 1.442 63.581 62.100 0.065 0.000 1.135 308 T CB -0.839 68.069 68.868 0.068 0.000 0.869 308 T HN 0.148 nan 8.240 nan 0.000 0.466 309 S N 1.783 117.391 115.700 -0.153 0.000 2.400 309 S HA 0.046 4.481 4.470 -0.057 0.000 0.232 309 S C 1.693 176.121 174.600 -0.286 0.000 1.025 309 S CA 1.393 59.366 58.200 -0.379 0.000 0.993 309 S CB -0.493 62.108 63.200 -0.997 0.000 0.808 309 S HN 0.551 nan 8.310 nan 0.000 0.478 310 M N 0.766 120.264 119.600 -0.170 0.000 2.453 310 M HA 0.250 4.696 4.480 -0.057 0.000 0.239 310 M C 0.513 176.799 176.300 -0.024 0.000 1.151 310 M CA -0.004 55.247 55.300 -0.081 0.000 0.989 310 M CB -0.362 32.227 32.600 -0.018 0.000 1.548 310 M HN 0.274 nan 8.290 nan 0.000 0.479 311 N N 0.572 119.253 118.700 -0.031 0.000 2.800 311 N HA -0.167 4.539 4.740 -0.057 0.000 0.250 311 N C -0.574 174.950 175.510 0.023 0.000 1.078 311 N CA -0.135 52.906 53.050 -0.015 0.000 0.804 311 N CB -0.553 37.914 38.487 -0.033 0.000 1.135 311 N HN 0.328 nan 8.380 nan 0.000 0.565 312 L N 0.468 121.731 121.223 0.066 0.000 2.468 312 L HA 0.277 4.583 4.340 -0.057 0.000 0.254 312 L C 1.066 177.986 176.870 0.084 0.000 1.171 312 L CA -0.197 54.711 54.840 0.113 0.000 0.809 312 L CB 0.689 42.876 42.059 0.213 0.000 1.155 312 L HN -0.042 nan 8.230 nan 0.000 0.473 313 T N 0.634 115.220 114.554 0.052 0.000 2.919 313 T HA 0.186 4.502 4.350 -0.057 0.000 0.302 313 T C -0.170 174.516 174.700 -0.024 0.000 1.031 313 T CA -0.545 61.560 62.100 0.008 0.000 1.127 313 T CB 0.696 69.556 68.868 -0.012 0.000 0.952 313 T HN 0.386 nan 8.240 nan 0.000 0.540 314 K N 2.114 122.513 120.400 -0.003 0.000 2.118 314 K HA 0.480 4.766 4.320 -0.057 0.000 0.264 314 K C -0.654 175.917 176.600 -0.048 0.000 1.000 314 K CA -0.870 55.420 56.287 0.005 0.000 0.929 314 K CB 0.209 32.743 32.500 0.057 0.000 1.021 314 K HN 0.149 nan 8.250 nan 0.000 0.463 315 L N 3.901 125.073 121.223 -0.084 0.000 2.513 315 L HA 0.169 4.475 4.340 -0.057 0.000 0.272 315 L C -1.820 175.039 176.870 -0.018 0.000 1.187 315 L CA -1.314 53.397 54.840 -0.215 0.000 0.895 315 L CB -0.577 41.176 42.059 -0.509 0.000 1.147 315 L HN 0.794 nan 8.230 nan 0.000 0.483 316 P HA 0.016 nan 4.420 nan 0.000 0.274 316 P C -0.071 177.316 177.300 0.145 0.000 1.256 316 P CA -0.479 62.661 63.100 0.065 0.000 0.795 316 P CB 0.741 32.463 31.700 0.037 0.000 1.038 317 Q N 0.531 120.421 119.800 0.150 0.000 2.170 317 Q HA -0.168 4.138 4.340 -0.057 0.000 0.203 317 Q C 1.279 177.358 176.000 0.131 0.000 0.976 317 Q CA 1.982 57.895 55.803 0.184 0.000 0.858 317 Q CB -0.949 27.857 28.738 0.114 0.000 0.907 317 Q HN 0.329 nan 8.270 nan 0.000 0.433 318 D N -0.964 119.469 120.400 0.056 0.000 2.219 318 D HA -0.110 4.495 4.640 -0.057 0.000 0.205 318 D C 1.291 177.554 176.300 -0.062 0.000 0.970 318 D CA 0.522 54.507 54.000 -0.026 0.000 0.851 318 D CB -0.244 40.513 40.800 -0.072 0.000 0.943 318 D HN 0.296 nan 8.370 nan 0.000 0.488 319 F N -0.261 119.587 119.950 -0.170 0.000 2.075 319 F HA -0.177 4.317 4.527 -0.055 0.000 0.297 319 F C 1.796 177.406 175.800 -0.316 0.000 1.113 319 F CA 1.577 59.392 58.000 -0.309 0.000 1.218 319 F CB -0.470 38.235 39.000 -0.492 0.000 0.984 319 F HN -0.014 nan 8.300 nan 0.000 0.472 320 W N 0.676 122.036 121.300 0.099 0.000 2.425 320 W HA -0.139 4.488 4.660 -0.055 0.000 0.277 320 W C 2.117 178.571 176.519 -0.108 0.000 1.231 320 W CA 0.696 58.035 57.345 -0.010 0.000 1.248 320 W CB -0.360 29.146 29.460 0.077 0.000 1.117 320 W HN 0.006 nan 8.180 nan 0.000 0.568 321 D N -0.043 120.405 120.400 0.080 0.000 2.137 321 D HA -0.078 4.528 4.640 -0.057 0.000 0.202 321 D C 1.744 177.993 176.300 -0.085 0.000 0.970 321 D CA 1.257 55.259 54.000 0.004 0.000 0.837 321 D CB -0.246 40.547 40.800 -0.011 0.000 0.981 321 D HN 0.222 nan 8.370 nan 0.000 0.475 322 K N 0.226 120.515 120.400 -0.185 0.000 2.334 322 K HA 0.174 4.460 4.320 -0.057 0.000 0.195 322 K C 0.714 177.183 176.600 -0.219 0.000 1.045 322 K CA -0.022 56.126 56.287 -0.231 0.000 1.004 322 K CB 0.526 32.794 32.500 -0.387 0.000 0.837 322 K HN -0.140 nan 8.250 nan 0.000 0.510 323 S N 1.510 116.963 115.700 -0.411 0.000 2.560 323 S HA 0.143 4.579 4.470 -0.057 0.000 0.284 323 S C 0.250 174.748 174.600 -0.171 0.000 1.327 323 S CA -0.046 57.903 58.200 -0.418 0.000 1.055 323 S CB 0.435 62.972 63.200 -1.104 0.000 0.868 323 S HN 0.127 nan 8.310 nan 0.000 0.506 324 I N 4.080 124.647 120.570 -0.005 0.000 2.328 324 I HA 0.276 4.412 4.170 -0.057 0.000 0.287 324 I C 0.715 176.799 176.117 -0.056 0.000 1.012 324 I CA -0.139 61.150 61.300 -0.018 0.000 1.195 324 I CB 0.824 38.812 38.000 -0.020 0.000 1.350 324 I HN 0.675 nan 8.210 nan 0.000 0.464 325 I N 2.220 122.742 120.570 -0.081 0.000 3.936 325 I HA 0.491 4.627 4.170 -0.057 0.000 0.330 325 I C 0.022 176.204 176.117 0.108 0.000 1.509 325 I CA -0.040 61.242 61.300 -0.029 0.000 1.126 325 I CB 0.391 38.225 38.000 -0.276 0.000 1.115 325 I HN 0.576 nan 8.210 nan 0.000 0.424 326 E N 2.059 122.298 120.200 0.065 0.000 2.347 326 E HA 0.242 4.558 4.350 -0.057 0.000 0.285 326 E C -1.028 175.594 176.600 0.037 0.000 0.925 326 E CA -0.783 55.660 56.400 0.072 0.000 0.779 326 E CB 1.755 31.497 29.700 0.070 0.000 1.233 326 E HN 0.223 nan 8.360 nan 0.000 0.414 327 K N 4.763 125.185 120.400 0.036 0.000 2.437 327 K HA 0.071 4.357 4.320 -0.057 0.000 0.277 327 K C -2.156 174.446 176.600 0.002 0.000 1.073 327 K CA -0.834 55.462 56.287 0.014 0.000 1.105 327 K CB 0.161 32.672 32.500 0.018 0.000 0.881 327 K HN 0.268 nan 8.250 nan 0.000 0.475 328 P HA -0.095 nan 4.420 nan 0.000 0.266 328 P C 0.060 177.354 177.300 -0.011 0.000 1.186 328 P CA 0.264 63.352 63.100 -0.020 0.000 0.767 328 P CB 0.584 32.260 31.700 -0.042 0.000 0.820 329 T N -2.610 111.940 114.554 -0.007 0.000 3.086 329 T HA 0.071 4.387 4.350 -0.057 0.000 0.250 329 T C 0.357 175.054 174.700 -0.004 0.000 1.074 329 T CA -0.235 61.864 62.100 -0.002 0.000 0.988 329 T CB -0.587 68.283 68.868 0.003 0.000 0.988 329 T HN 0.423 nan 8.240 nan 0.000 0.530 330 D N 1.255 121.648 120.400 -0.011 0.000 2.411 330 D HA 0.413 5.019 4.640 -0.057 0.000 0.251 330 D C 1.204 177.498 176.300 -0.011 0.000 1.201 330 D CA -0.720 53.274 54.000 -0.011 0.000 0.996 330 D CB 0.085 40.876 40.800 -0.016 0.000 1.101 330 D HN 0.054 nan 8.370 nan 0.000 0.504 331 G N -1.002 107.793 108.800 -0.009 0.000 3.379 331 G HA2 0.018 3.944 3.960 -0.057 0.000 0.253 331 G HA3 0.018 3.944 3.960 -0.057 0.000 0.253 331 G C 0.441 175.332 174.900 -0.014 0.000 1.262 331 G CA -0.528 44.568 45.100 -0.007 0.000 0.959 331 G HN 0.541 nan 8.290 nan 0.000 0.524 332 R N -0.212 120.274 120.500 -0.024 0.000 2.528 332 R HA 0.377 4.683 4.340 -0.057 0.000 0.271 332 R C -1.489 174.785 176.300 -0.043 0.000 1.056 332 R CA -0.621 55.458 56.100 -0.036 0.000 1.117 332 R CB 0.941 31.211 30.300 -0.050 0.000 1.085 332 R HN -0.153 nan 8.270 nan 0.000 0.530 333 D N 2.355 122.723 120.400 -0.055 0.000 2.225 333 D HA 0.422 5.027 4.640 -0.057 0.000 0.249 333 D C -0.194 176.043 176.300 -0.104 0.000 1.052 333 D CA -0.219 53.745 54.000 -0.059 0.000 0.909 333 D CB 1.440 42.209 40.800 -0.050 0.000 1.186 333 D HN 0.440 nan 8.370 nan 0.000 0.431 334 L N -1.486 119.682 121.223 -0.090 0.000 2.838 334 L HA 0.551 4.857 4.340 -0.057 0.000 0.266 334 L C -1.289 175.552 176.870 -0.048 0.000 1.040 334 L CA -1.066 53.698 54.840 -0.126 0.000 0.906 334 L CB 0.313 42.295 42.059 -0.128 0.000 1.501 334 L HN 0.103 nan 8.230 nan 0.000 0.407 335 V N 0.650 120.549 119.914 -0.026 0.000 2.407 335 V HA 0.333 4.419 4.120 -0.057 0.000 0.278 335 V C 0.514 176.643 176.094 0.059 0.000 1.037 335 V CA -0.042 62.311 62.300 0.088 0.000 0.900 335 V CB 1.215 33.148 31.823 0.183 0.000 0.983 335 V HN 0.939 nan 8.190 nan 0.000 0.459 336 c N 4.493 123.137 118.600 0.073 0.000 2.863 336 c HA 0.287 4.823 4.570 -0.057 0.000 0.284 336 c C 0.749 174.852 174.090 0.022 0.000 1.426 336 c CA -0.402 55.953 56.329 0.044 0.000 1.782 336 c CB -1.510 41.021 42.510 0.035 0.000 2.554 336 c HN 0.952 nan 8.230 nan 0.000 0.566 337 H N 1.516 120.500 119.070 -0.144 0.000 3.004 337 H HA 0.502 5.022 4.556 -0.059 0.000 0.267 337 H C 0.783 176.032 175.328 -0.132 0.000 1.165 337 H CA 0.480 56.353 56.048 -0.292 0.000 1.450 337 H CB 0.405 29.573 29.762 -0.990 0.000 1.488 337 H HN 0.531 nan 8.280 nan 0.000 0.478 338 A N 4.450 127.116 122.820 -0.256 0.000 2.632 338 A HA 0.259 4.545 4.320 -0.057 0.000 0.231 338 A C 0.124 177.742 177.584 0.055 0.000 1.027 338 A CA 1.157 53.169 52.037 -0.042 0.000 0.759 338 A CB -0.335 18.650 19.000 -0.025 0.000 0.939 338 A HN 0.977 nan 8.150 nan 0.000 0.505 339 S N 0.064 115.892 115.700 0.213 0.000 2.567 339 S HA 0.782 5.218 4.470 -0.057 0.000 0.270 339 S C -0.701 174.099 174.600 0.334 0.000 1.152 339 S CA -0.254 58.072 58.200 0.211 0.000 0.835 339 S CB 1.301 64.576 63.200 0.125 0.000 1.115 339 S HN 2.329 nan 8.310 nan 0.000 0.459 340 A N 0.617 123.552 122.820 0.191 0.000 2.355 340 A HA 0.787 5.073 4.320 -0.057 0.000 0.317 340 A C -1.758 175.981 177.584 0.259 0.000 1.094 340 A CA -0.730 51.526 52.037 0.366 0.000 0.764 340 A CB 0.550 19.741 19.000 0.318 0.000 1.230 340 A HN 0.725 nan 8.150 nan 0.000 0.448 341 W N 0.922 122.363 121.300 0.235 0.000 2.587 341 W HA 0.513 5.126 4.660 -0.079 0.000 0.324 341 W C -0.588 175.609 176.519 -0.537 0.000 1.040 341 W CA -0.312 56.933 57.345 -0.166 0.000 1.222 341 W CB 1.624 30.862 29.460 -0.370 0.000 1.381 341 W HN 0.623 nan 8.180 nan 0.000 0.483 342 D N 2.278 122.142 120.400 -0.894 0.000 2.427 342 D HA 0.215 4.821 4.640 -0.057 0.000 0.226 342 D C -0.161 175.572 176.300 -0.945 0.000 1.076 342 D CA -0.538 52.666 54.000 -1.327 0.000 0.849 342 D CB 0.490 39.952 40.800 -2.231 0.000 1.052 342 D HN 0.194 nan 8.370 nan 0.000 0.515 343 F N 2.559 122.302 119.950 -0.344 0.000 2.769 343 F HA 0.114 4.600 4.527 -0.067 0.000 0.304 343 F C 0.400 176.216 175.800 0.026 0.000 1.158 343 F CA -0.272 57.670 58.000 -0.097 0.000 1.398 343 F CB -0.685 38.243 39.000 -0.120 0.000 1.094 343 F HN 0.381 nan 8.300 nan 0.000 0.553 344 Y N -0.324 119.996 120.300 0.034 0.000 3.037 344 Y HA -0.257 4.256 4.550 -0.062 0.000 0.204 344 Y C 0.415 176.364 175.900 0.081 0.000 1.275 344 Y CA -0.189 57.960 58.100 0.081 0.000 1.066 344 Y CB -1.880 36.671 38.460 0.153 0.000 1.305 344 Y HN 0.116 nan 8.280 nan 0.000 0.499 345 L N -1.047 120.258 121.223 0.136 0.000 3.060 345 L HA 0.619 4.924 4.340 -0.057 0.000 0.235 345 L C -0.055 176.860 176.870 0.075 0.000 1.868 345 L CA -1.326 53.574 54.840 0.100 0.000 1.901 345 L CB 1.097 43.197 42.059 0.069 0.000 2.022 345 L HN -0.066 nan 8.230 nan 0.000 0.554 346 I N 1.042 121.644 120.570 0.052 0.000 2.448 346 I HA 0.263 4.399 4.170 -0.057 0.000 0.281 346 I C -1.039 175.097 176.117 0.032 0.000 1.027 346 I CA -0.100 61.229 61.300 0.049 0.000 1.111 346 I CB 1.425 39.455 38.000 0.051 0.000 1.236 346 I HN 0.550 nan 8.210 nan 0.000 0.452 347 D N 2.643 123.062 120.400 0.033 0.000 3.099 347 D HA -0.180 4.426 4.640 -0.057 0.000 0.213 347 D C -0.072 176.242 176.300 0.023 0.000 1.121 347 D CA 1.055 55.072 54.000 0.028 0.000 0.951 347 D CB -0.882 39.933 40.800 0.026 0.000 1.102 347 D HN 0.586 nan 8.370 nan 0.000 0.423 348 D N 0.703 121.118 120.400 0.024 0.000 2.493 348 D HA 0.387 4.992 4.640 -0.057 0.000 0.235 348 D C -0.446 175.935 176.300 0.135 0.000 1.117 348 D CA -0.566 53.440 54.000 0.009 0.000 0.930 348 D CB 0.367 41.136 40.800 -0.052 0.000 1.010 348 D HN 0.076 nan 8.370 nan 0.000 0.514 349 V N 1.088 121.087 119.914 0.141 0.000 2.735 349 V HA 0.814 4.899 4.120 -0.057 0.000 0.310 349 V C -0.484 175.758 176.094 0.246 0.000 1.061 349 V CA -0.975 61.472 62.300 0.244 0.000 0.913 349 V CB 1.899 33.882 31.823 0.266 0.000 1.005 349 V HN 0.319 nan 8.190 nan 0.000 0.428 350 R N 3.659 124.308 120.500 0.248 0.000 2.707 350 R HA 0.770 5.076 4.340 -0.057 0.000 0.272 350 R C -1.497 174.945 176.300 0.238 0.000 1.011 350 R CA -0.774 55.299 56.100 -0.045 0.000 0.893 350 R CB 2.725 32.764 30.300 -0.436 0.000 1.233 350 R HN 0.718 nan 8.270 nan 0.000 0.464 351 I N 1.071 121.695 120.570 0.090 0.000 2.693 351 I HA 0.406 4.542 4.170 -0.057 0.000 0.303 351 I C -0.696 175.637 176.117 0.360 0.000 1.025 351 I CA -0.935 60.593 61.300 0.379 0.000 1.086 351 I CB 2.341 40.599 38.000 0.430 0.000 1.268 351 I HN 0.453 nan 8.210 nan 0.000 0.440 352 K N 5.499 126.169 120.400 0.450 0.000 2.579 352 K HA 0.470 4.755 4.320 -0.057 0.000 0.250 352 K C -1.370 175.359 176.600 0.215 0.000 0.952 352 K CA -0.478 55.966 56.287 0.262 0.000 0.857 352 K CB 1.497 34.075 32.500 0.130 0.000 1.123 352 K HN 0.606 nan 8.250 nan 0.000 0.433 353 Q N 3.471 123.374 119.800 0.172 0.000 2.315 353 Q HA 0.308 4.614 4.340 -0.057 0.000 0.273 353 Q C -1.206 174.873 176.000 0.131 0.000 1.053 353 Q CA -0.792 55.119 55.803 0.179 0.000 0.817 353 Q CB 1.989 30.914 28.738 0.311 0.000 1.326 353 Q HN 0.803 nan 8.270 nan 0.000 0.423 354 c N 3.366 122.019 118.600 0.090 0.000 2.554 354 c HA 0.152 4.687 4.570 -0.057 0.000 0.434 354 c C 0.850 174.992 174.090 0.087 0.000 1.316 354 c CA 0.037 56.407 56.329 0.069 0.000 1.671 354 c CB -1.921 40.615 42.510 0.043 0.000 2.172 354 c HN 0.753 nan 8.230 nan 0.000 0.601 355 T N 0.442 115.078 114.554 0.137 0.000 2.923 355 T HA 0.054 4.369 4.350 -0.057 0.000 0.320 355 T C -0.099 174.662 174.700 0.102 0.000 1.074 355 T CA 0.677 62.862 62.100 0.142 0.000 1.131 355 T CB 0.673 69.690 68.868 0.249 0.000 1.058 355 T HN 0.699 nan 8.240 nan 0.000 0.535 356 R N 0.959 121.504 120.500 0.075 0.000 2.740 356 R HA 0.535 4.841 4.340 -0.057 0.000 0.273 356 R C -0.852 175.478 176.300 0.050 0.000 0.998 356 R CA -1.125 55.010 56.100 0.058 0.000 0.900 356 R CB 2.370 32.691 30.300 0.036 0.000 1.223 356 R HN 0.710 nan 8.270 nan 0.000 0.466 357 V N -0.111 119.836 119.914 0.055 0.000 2.370 357 V HA 0.495 4.580 4.120 -0.057 0.000 0.257 357 V C -0.152 175.944 176.094 0.004 0.000 1.064 357 V CA -0.228 62.105 62.300 0.055 0.000 0.975 357 V CB -0.083 31.793 31.823 0.089 0.000 1.067 357 V HN 0.932 nan 8.190 nan 0.000 0.485 358 T N 0.287 114.821 114.554 -0.034 0.000 2.830 358 T HA 0.310 4.626 4.350 -0.057 0.000 0.322 358 T C 0.352 174.958 174.700 -0.156 0.000 1.501 358 T CA -0.275 61.780 62.100 -0.075 0.000 1.036 358 T CB 1.941 70.779 68.868 -0.050 0.000 1.379 358 T HN 0.414 nan 8.240 nan 0.000 0.493 359 Q N -0.000 119.674 119.800 -0.210 0.000 2.170 359 Q HA -0.163 4.143 4.340 -0.057 0.000 0.203 359 Q C 1.330 176.898 176.000 -0.720 0.000 0.976 359 Q CA 2.157 57.708 55.803 -0.420 0.000 0.858 359 Q CB -0.172 28.379 28.738 -0.311 0.000 0.907 359 Q HN 0.799 nan 8.270 nan 0.000 0.433 360 D N -0.666 119.521 120.400 -0.355 0.000 2.149 360 D HA -0.145 4.460 4.640 -0.057 0.000 0.201 360 D C 1.858 178.055 176.300 -0.172 0.000 0.972 360 D CA 0.851 54.725 54.000 -0.210 0.000 0.835 360 D CB 0.211 41.012 40.800 0.001 0.000 0.966 360 D HN 0.166 nan 8.370 nan 0.000 0.476 361 Q N 0.011 119.726 119.800 -0.143 0.000 2.167 361 Q HA -0.095 4.211 4.340 -0.057 0.000 0.202 361 Q C 2.323 178.260 176.000 -0.105 0.000 0.970 361 Q CA 0.367 56.124 55.803 -0.078 0.000 0.855 361 Q CB -0.256 28.458 28.738 -0.040 0.000 0.911 361 Q HN 0.430 nan 8.270 nan 0.000 0.438 362 L N -0.076 121.022 121.223 -0.209 0.000 2.046 362 L HA -0.195 4.111 4.340 -0.057 0.000 0.208 362 L C 2.044 178.950 176.870 0.060 0.000 1.077 362 L CA 1.340 56.102 54.840 -0.130 0.000 0.747 362 L CB -0.258 41.666 42.059 -0.224 0.000 0.896 362 L HN 0.116 nan 8.230 nan 0.000 0.432 363 F N 0.013 119.990 119.950 0.045 0.000 2.134 363 F HA -0.175 4.317 4.527 -0.058 0.000 0.299 363 F C 2.673 178.503 175.800 0.050 0.000 1.097 363 F CA 1.466 59.465 58.000 -0.002 0.000 1.264 363 F CB -1.744 37.203 39.000 -0.089 0.000 1.001 363 F HN 0.049 nan 8.300 nan 0.000 0.479 364 T N 0.357 115.023 114.554 0.186 0.000 2.665 364 T HA -0.183 4.133 4.350 -0.057 0.000 0.268 364 T C 2.345 177.110 174.700 0.110 0.000 1.035 364 T CA 1.687 63.862 62.100 0.125 0.000 1.151 364 T CB -0.832 68.063 68.868 0.045 0.000 0.862 364 T HN 0.055 nan 8.240 nan 0.000 0.438 365 V N 1.556 121.453 119.914 -0.028 0.000 2.250 365 V HA -0.282 3.804 4.120 -0.057 0.000 0.250 365 V C 2.462 178.475 176.094 -0.135 0.000 1.060 365 V CA 1.870 64.015 62.300 -0.259 0.000 1.030 365 V CB -0.748 30.707 31.823 -0.613 0.000 0.643 365 V HN 0.639 nan 8.190 nan 0.000 0.445 366 H N -1.150 117.897 119.070 -0.038 0.000 2.352 366 H HA -0.227 4.295 4.556 -0.057 0.000 0.299 366 H C 2.359 177.678 175.328 -0.015 0.000 1.097 366 H CA 2.283 58.328 56.048 -0.004 0.000 1.311 366 H CB -0.317 29.398 29.762 -0.078 0.000 1.377 366 H HN 0.639 nan 8.280 nan 0.000 0.504 367 H N 1.046 120.145 119.070 0.048 0.000 2.290 367 H HA -0.115 4.406 4.556 -0.058 0.000 0.298 367 H C 2.139 177.410 175.328 -0.096 0.000 1.087 367 H CA 1.856 57.872 56.048 -0.054 0.000 1.291 367 H CB 0.299 30.049 29.762 -0.020 0.000 1.369 367 H HN 0.189 nan 8.280 nan 0.000 0.492 368 E N 0.252 120.523 120.200 0.119 0.000 2.077 368 E HA -0.129 4.187 4.350 -0.057 0.000 0.193 368 E C 2.354 178.967 176.600 0.022 0.000 0.989 368 E CA 0.501 57.005 56.400 0.174 0.000 0.800 368 E CB -0.268 29.614 29.700 0.304 0.000 0.746 368 E HN 0.420 nan 8.360 nan 0.000 0.452 369 L N 0.505 121.705 121.223 -0.038 0.000 2.265 369 L HA -0.068 4.238 4.340 -0.057 0.000 0.215 369 L C 2.288 178.931 176.870 -0.378 0.000 1.117 369 L CA 1.529 56.235 54.840 -0.225 0.000 0.782 369 L CB -1.695 40.242 42.059 -0.204 0.000 0.914 369 L HN 0.149 nan 8.230 nan 0.000 0.441 370 G N -1.582 107.081 108.800 -0.230 0.000 2.422 370 G HA2 -0.247 3.679 3.960 -0.057 0.000 0.218 370 G HA3 -0.247 3.679 3.960 -0.057 0.000 0.218 370 G C 1.471 176.152 174.900 -0.365 0.000 1.146 370 G CA 0.336 45.272 45.100 -0.273 0.000 0.769 370 G HN 0.396 nan 8.290 nan 0.000 0.547 371 H N 0.545 119.434 119.070 -0.302 0.000 2.299 371 H HA 0.011 4.535 4.556 -0.054 0.000 0.302 371 H C 2.820 177.666 175.328 -0.804 0.000 1.078 371 H CA 0.920 56.726 56.048 -0.404 0.000 1.323 371 H CB -0.315 29.235 29.762 -0.352 0.000 1.381 371 H HN 0.148 nan 8.280 nan 0.000 0.498 372 I N 1.183 121.501 120.570 -0.420 0.000 2.185 372 I HA -0.295 3.841 4.170 -0.057 0.000 0.246 372 I C 2.593 178.487 176.117 -0.372 0.000 1.088 372 I CA 1.319 62.430 61.300 -0.315 0.000 1.347 372 I CB -0.983 36.870 38.000 -0.246 0.000 1.041 372 I HN 0.238 nan 8.210 nan 0.000 0.415 373 Q N 0.590 120.082 119.800 -0.513 0.000 2.002 373 Q HA -0.250 4.056 4.340 -0.057 0.000 0.204 373 Q C 2.369 178.190 176.000 -0.298 0.000 0.988 373 Q CA 1.925 57.438 55.803 -0.482 0.000 0.843 373 Q CB -0.885 27.491 28.738 -0.604 0.000 0.908 373 Q HN 0.546 nan 8.270 nan 0.000 0.420 374 Y N -0.764 119.247 120.300 -0.482 0.000 2.096 374 Y HA -0.360 4.157 4.550 -0.055 0.000 0.278 374 Y C 1.803 177.224 175.900 -0.798 0.000 1.192 374 Y CA 1.040 58.816 58.100 -0.541 0.000 1.143 374 Y CB -0.141 37.931 38.460 -0.646 0.000 0.963 374 Y HN 0.191 nan 8.280 nan 0.000 0.505 375 F N -0.085 119.588 119.950 -0.462 0.000 2.043 375 F HA -0.323 4.170 4.527 -0.056 0.000 0.297 375 F C 2.252 177.752 175.800 -0.500 0.000 1.121 375 F CA 1.383 59.018 58.000 -0.608 0.000 1.199 375 F CB -1.395 37.452 39.000 -0.255 0.000 0.968 375 F HN 0.031 nan 8.300 nan 0.000 0.478 376 L N -0.680 120.498 121.223 -0.076 0.000 2.042 376 L HA -0.231 4.075 4.340 -0.057 0.000 0.210 376 L C 2.551 179.407 176.870 -0.023 0.000 1.076 376 L CA 1.138 55.951 54.840 -0.045 0.000 0.749 376 L CB -0.885 41.136 42.059 -0.063 0.000 0.893 376 L HN 0.154 nan 8.230 nan 0.000 0.432 377 Q N 0.094 119.849 119.800 -0.075 0.000 2.234 377 Q HA -0.192 4.113 4.340 -0.057 0.000 0.206 377 Q C 1.265 177.385 176.000 0.200 0.000 0.980 377 Q CA 1.528 57.355 55.803 0.040 0.000 0.869 377 Q CB -0.146 28.599 28.738 0.012 0.000 0.912 377 Q HN 0.788 nan 8.270 nan 0.000 0.436 378 Y N -2.275 118.138 120.300 0.189 0.000 2.696 378 Y HA 0.429 4.943 4.550 -0.059 0.000 0.260 378 Y C 1.370 177.258 175.900 -0.020 0.000 1.165 378 Y CA -0.777 57.347 58.100 0.040 0.000 1.189 378 Y CB -0.627 37.831 38.460 -0.002 0.000 1.180 378 Y HN -0.109 nan 8.280 nan 0.000 0.538 379 Q N 0.782 120.752 119.800 0.282 0.000 2.077 379 Q HA -0.269 4.037 4.340 -0.057 0.000 0.206 379 Q C 1.659 177.784 176.000 0.208 0.000 0.989 379 Q CA 2.606 58.549 55.803 0.234 0.000 0.853 379 Q CB -0.515 28.331 28.738 0.181 0.000 0.907 379 Q HN 0.998 nan 8.270 nan 0.000 0.418 380 H N -0.305 118.857 119.070 0.152 0.000 2.457 380 H HA -0.016 4.506 4.556 -0.057 0.000 0.297 380 H C 0.465 175.869 175.328 0.127 0.000 1.092 380 H CA 0.236 56.358 56.048 0.123 0.000 1.309 380 H CB -0.082 29.744 29.762 0.106 0.000 1.382 380 H HN 0.052 nan 8.280 nan 0.000 0.535 381 Q N 2.012 121.635 119.800 -0.294 0.000 2.395 381 Q HA 0.118 4.424 4.340 -0.057 0.000 0.271 381 Q C -2.233 173.759 176.000 -0.014 0.000 1.026 381 Q CA -1.624 54.087 55.803 -0.153 0.000 0.900 381 Q CB 0.320 28.954 28.738 -0.173 0.000 1.266 381 Q HN 0.334 nan 8.270 nan 0.000 0.430 382 P HA -0.046 nan 4.420 nan 0.000 0.271 382 P C 0.439 177.694 177.300 -0.076 0.000 1.233 382 P CA -0.094 62.968 63.100 -0.064 0.000 0.764 382 P CB 0.113 31.699 31.700 -0.189 0.000 0.825 383 F N 5.199 125.079 119.950 -0.117 0.000 2.065 383 F HA -0.382 4.109 4.527 -0.060 0.000 0.286 383 F C 2.068 177.764 175.800 -0.173 0.000 1.072 383 F CA 2.469 60.397 58.000 -0.120 0.000 1.288 383 F CB -1.127 37.760 39.000 -0.189 0.000 0.963 383 F HN 0.157 nan 8.300 nan 0.000 0.496 384 V N -0.389 119.289 119.914 -0.392 0.000 2.380 384 V HA -0.330 3.756 4.120 -0.057 0.000 0.251 384 V C 1.980 177.854 176.094 -0.367 0.000 1.063 384 V CA 2.292 64.300 62.300 -0.487 0.000 1.055 384 V CB -0.722 30.831 31.823 -0.450 0.000 0.657 384 V HN 0.539 nan 8.190 nan 0.000 0.455 385 Y N 0.342 120.425 120.300 -0.362 0.000 2.490 385 Y HA 0.299 4.814 4.550 -0.058 0.000 0.281 385 Y C 1.655 177.232 175.900 -0.538 0.000 1.174 385 Y CA -0.394 57.483 58.100 -0.373 0.000 1.295 385 Y CB -0.455 37.841 38.460 -0.274 0.000 1.062 385 Y HN 0.239 nan 8.280 nan 0.000 0.522 386 R N 0.672 120.934 120.500 -0.397 0.000 3.268 386 R HA 0.227 4.533 4.340 -0.057 0.000 0.217 386 R C 0.308 176.234 176.300 -0.624 0.000 1.568 386 R CA 0.190 55.945 56.100 -0.575 0.000 1.322 386 R CB -0.041 30.257 30.300 -0.003 0.000 1.280 386 R HN 0.057 nan 8.270 nan 0.000 0.667 387 T N -1.228 112.741 114.554 -0.976 0.000 2.648 387 T HA 0.494 4.810 4.350 -0.057 0.000 0.304 387 T C -0.687 173.664 174.700 -0.583 0.000 1.312 387 T CA -0.455 61.371 62.100 -0.457 0.000 1.023 387 T CB 1.237 69.938 68.868 -0.279 0.000 1.612 387 T HN 0.418 nan 8.240 nan 0.000 0.487 388 G N 0.461 109.119 108.800 -0.236 0.000 2.389 388 G HA2 0.615 4.540 3.960 -0.057 0.000 0.317 388 G HA3 0.615 4.540 3.960 -0.057 0.000 0.317 388 G C -0.045 174.754 174.900 -0.168 0.000 1.137 388 G CA -0.142 44.761 45.100 -0.328 0.000 0.870 388 G HN 1.009 nan 8.290 nan 0.000 0.496 389 A N 2.677 125.442 122.820 -0.092 0.000 2.444 389 A HA 0.460 4.745 4.320 -0.057 0.000 0.287 389 A C 0.864 178.232 177.584 -0.359 0.000 1.195 389 A CA 0.081 51.963 52.037 -0.257 0.000 0.858 389 A CB -0.610 18.176 19.000 -0.357 0.000 1.117 389 A HN 1.767 nan 8.150 nan 0.000 0.521 390 N N 2.777 121.333 118.700 -0.239 0.000 4.065 390 N HA -0.112 4.594 4.740 -0.057 0.000 0.309 390 N C -2.329 173.119 175.510 -0.103 0.000 2.189 390 N CA 0.500 53.391 53.050 -0.265 0.000 2.863 390 N CB -0.297 37.996 38.487 -0.322 0.000 0.362 390 N HN 0.242 nan 8.380 nan 0.000 0.685 391 P HA -0.068 nan 4.420 nan 0.000 0.218 391 P C 1.350 178.731 177.300 0.136 0.000 1.146 391 P CA 2.115 65.168 63.100 -0.079 0.000 0.813 391 P CB -0.200 31.346 31.700 -0.256 0.000 0.778 392 G N -1.346 107.618 108.800 0.274 0.000 2.418 392 G HA2 -0.248 3.678 3.960 -0.057 0.000 0.217 392 G HA3 -0.248 3.678 3.960 -0.057 0.000 0.217 392 G C 1.298 176.408 174.900 0.350 0.000 1.158 392 G CA 0.293 45.571 45.100 0.297 0.000 0.771 392 G HN 0.234 nan 8.290 nan 0.000 0.545 393 F N -0.208 119.850 119.950 0.180 0.000 2.216 393 F HA -0.073 4.419 4.527 -0.058 0.000 0.300 393 F C 2.670 178.644 175.800 0.290 0.000 1.085 393 F CA 1.001 59.161 58.000 0.267 0.000 1.326 393 F CB -0.074 39.116 39.000 0.317 0.000 1.027 393 F HN 0.135 nan 8.300 nan 0.000 0.497 394 H N 0.598 119.949 119.070 0.468 0.000 2.357 394 H HA -0.086 4.438 4.556 -0.054 0.000 0.301 394 H C 1.829 177.262 175.328 0.175 0.000 1.082 394 H CA 1.388 57.674 56.048 0.397 0.000 1.342 394 H CB 0.035 29.937 29.762 0.232 0.000 1.389 394 H HN 0.184 nan 8.280 nan 0.000 0.511 395 E N -0.059 120.313 120.200 0.287 0.000 2.511 395 E HA 0.028 4.344 4.350 -0.057 0.000 0.196 395 E C 1.748 178.368 176.600 0.034 0.000 1.066 395 E CA 0.510 57.004 56.400 0.157 0.000 0.871 395 E CB 0.175 29.992 29.700 0.196 0.000 0.863 395 E HN 0.447 nan 8.360 nan 0.000 0.520 396 A N 0.404 123.228 122.820 0.008 0.000 1.993 396 A HA 0.062 4.348 4.320 -0.057 0.000 0.207 396 A C 2.375 179.877 177.584 -0.137 0.000 1.224 396 A CA 0.192 52.203 52.037 -0.043 0.000 0.749 396 A CB -0.232 18.806 19.000 0.064 0.000 0.884 396 A HN 0.072 nan 8.150 nan 0.000 0.467 397 V N 0.674 120.474 119.914 -0.191 0.000 2.225 397 V HA -0.342 3.744 4.120 -0.057 0.000 0.252 397 V C 2.776 178.684 176.094 -0.310 0.000 1.055 397 V CA 2.450 64.580 62.300 -0.282 0.000 1.032 397 V CB -1.623 29.970 31.823 -0.384 0.000 0.655 397 V HN 0.555 nan 8.190 nan 0.000 0.458 398 G N -1.016 107.588 108.800 -0.327 0.000 2.501 398 G HA2 -0.230 3.696 3.960 -0.057 0.000 0.220 398 G HA3 -0.230 3.696 3.960 -0.057 0.000 0.220 398 G C 1.130 175.878 174.900 -0.253 0.000 1.114 398 G CA 0.997 45.949 45.100 -0.246 0.000 0.757 398 G HN 0.569 nan 8.290 nan 0.000 0.559 399 D N -0.166 120.072 120.400 -0.271 0.000 2.234 399 D HA -0.009 4.597 4.640 -0.057 0.000 0.205 399 D C 2.680 178.712 176.300 -0.448 0.000 0.962 399 D CA 0.164 53.966 54.000 -0.329 0.000 0.855 399 D CB 0.062 40.648 40.800 -0.357 0.000 0.951 399 D HN 0.197 nan 8.370 nan 0.000 0.500 400 V N 1.142 120.856 119.914 -0.332 0.000 2.358 400 V HA -0.181 3.904 4.120 -0.057 0.000 0.246 400 V C 2.514 178.432 176.094 -0.294 0.000 1.047 400 V CA 1.048 63.202 62.300 -0.244 0.000 1.035 400 V CB -0.331 31.539 31.823 0.077 0.000 0.658 400 V HN 0.247 nan 8.190 nan 0.000 0.452 401 L N -0.505 120.452 121.223 -0.444 0.000 2.056 401 L HA -0.108 4.198 4.340 -0.057 0.000 0.207 401 L C 2.611 178.993 176.870 -0.814 0.000 1.078 401 L CA 1.542 55.925 54.840 -0.763 0.000 0.749 401 L CB -0.973 40.460 42.059 -1.043 0.000 0.901 401 L HN 0.310 nan 8.230 nan 0.000 0.433 402 S N 0.502 115.810 115.700 -0.653 0.000 2.383 402 S HA -0.145 4.291 4.470 -0.057 0.000 0.229 402 S C 2.047 176.244 174.600 -0.670 0.000 1.030 402 S CA 1.208 59.029 58.200 -0.632 0.000 1.002 402 S CB -0.296 62.616 63.200 -0.480 0.000 0.829 402 S HN 0.295 nan 8.310 nan 0.000 0.467 403 L N 0.552 121.365 121.223 -0.683 0.000 2.046 403 L HA -0.111 4.195 4.340 -0.057 0.000 0.208 403 L C 2.658 179.270 176.870 -0.431 0.000 1.077 403 L CA 1.021 55.425 54.840 -0.728 0.000 0.747 403 L CB -0.655 40.700 42.059 -1.174 0.000 0.896 403 L HN 0.253 nan 8.230 nan 0.000 0.432 404 S N -0.513 115.039 115.700 -0.247 0.000 2.359 404 S HA -0.158 4.278 4.470 -0.057 0.000 0.224 404 S C 1.973 176.510 174.600 -0.105 0.000 1.035 404 S CA 1.196 59.398 58.200 0.004 0.000 1.018 404 S CB -0.147 63.140 63.200 0.145 0.000 0.876 404 S HN 0.159 nan 8.310 nan 0.000 0.448 405 V N 2.093 121.805 119.914 -0.337 0.000 2.594 405 V HA -0.123 3.963 4.120 -0.057 0.000 0.253 405 V C 2.433 178.558 176.094 0.051 0.000 1.069 405 V CA 1.839 63.993 62.300 -0.244 0.000 1.082 405 V CB -0.711 30.894 31.823 -0.363 0.000 0.680 405 V HN 0.709 nan 8.190 nan 0.000 0.469 406 S N -0.213 115.459 115.700 -0.046 0.000 2.522 406 S HA -0.041 4.395 4.470 -0.057 0.000 0.227 406 S C 1.109 175.723 174.600 0.023 0.000 0.986 406 S CA 0.532 58.746 58.200 0.022 0.000 0.929 406 S CB -0.696 62.363 63.200 -0.235 0.000 0.769 406 S HN 0.696 nan 8.310 nan 0.000 0.529 407 T N -0.236 114.335 114.554 0.029 0.000 2.869 407 T HA 0.419 4.735 4.350 -0.057 0.000 0.295 407 T C -1.938 172.766 174.700 0.007 0.000 0.987 407 T CA -1.722 60.401 62.100 0.038 0.000 1.109 407 T CB 1.054 69.975 68.868 0.089 0.000 0.932 407 T HN -0.118 nan 8.240 nan 0.000 0.518 408 P HA -0.257 nan 4.420 nan 0.000 0.220 408 P C 1.559 178.795 177.300 -0.107 0.000 1.155 408 P CA 1.472 64.422 63.100 -0.250 0.000 0.880 408 P CB 0.097 31.653 31.700 -0.241 0.000 0.790 409 K N -1.057 119.342 120.400 -0.000 0.000 1.987 409 K HA -0.278 4.008 4.320 -0.057 0.000 0.216 409 K C 2.301 178.916 176.600 0.025 0.000 1.051 409 K CA 1.792 58.100 56.287 0.034 0.000 0.942 409 K CB -0.881 31.667 32.500 0.080 0.000 0.722 409 K HN 0.173 nan 8.250 nan 0.000 0.444 410 H N 0.550 119.615 119.070 -0.009 0.000 2.457 410 H HA -0.048 4.474 4.556 -0.057 0.000 0.294 410 H C 1.968 177.267 175.328 -0.047 0.000 1.064 410 H CA 1.451 57.483 56.048 -0.027 0.000 1.330 410 H CB 0.141 29.929 29.762 0.043 0.000 1.395 410 H HN 0.264 nan 8.280 nan 0.000 0.541 411 L N 0.126 121.342 121.223 -0.012 0.000 2.240 411 L HA -0.064 4.242 4.340 -0.057 0.000 0.211 411 L C 2.590 179.385 176.870 -0.125 0.000 1.106 411 L CA 0.829 55.632 54.840 -0.062 0.000 0.793 411 L CB -0.204 41.824 42.059 -0.052 0.000 0.927 411 L HN 0.287 nan 8.230 nan 0.000 0.446 412 E N 0.631 120.757 120.200 -0.123 0.000 2.051 412 E HA -0.201 4.114 4.350 -0.057 0.000 0.189 412 E C 2.066 178.598 176.600 -0.112 0.000 0.979 412 E CA 0.727 57.070 56.400 -0.094 0.000 0.803 412 E CB 0.238 29.907 29.700 -0.052 0.000 0.761 412 E HN 0.234 nan 8.360 nan 0.000 0.451 413 K N 0.446 120.751 120.400 -0.157 0.000 2.218 413 K HA -0.159 4.127 4.320 -0.057 0.000 0.205 413 K C 1.887 178.351 176.600 -0.227 0.000 1.046 413 K CA 1.624 57.796 56.287 -0.193 0.000 0.933 413 K CB -0.187 32.161 32.500 -0.254 0.000 0.728 413 K HN 0.380 nan 8.250 nan 0.000 0.454 414 I N -4.244 116.164 120.570 -0.270 0.000 3.928 414 I HA 0.321 4.456 4.170 -0.057 0.000 0.335 414 I C 0.705 176.781 176.117 -0.067 0.000 1.325 414 I CA 0.120 61.310 61.300 -0.184 0.000 1.107 414 I CB 0.398 38.277 38.000 -0.202 0.000 1.014 414 I HN 0.105 nan 8.210 nan 0.000 0.400 415 G N 2.381 111.138 108.800 -0.072 0.000 2.176 415 G HA2 -0.264 3.662 3.960 -0.057 0.000 0.252 415 G HA3 -0.264 3.662 3.960 -0.057 0.000 0.252 415 G C 0.409 175.288 174.900 -0.035 0.000 1.024 415 G CA 0.450 45.529 45.100 -0.035 0.000 0.755 415 G HN 0.498 nan 8.290 nan 0.000 0.507 416 L N -1.095 120.092 121.223 -0.060 0.000 2.653 416 L HA 0.514 4.820 4.340 -0.057 0.000 0.231 416 L C 0.454 177.274 176.870 -0.084 0.000 1.153 416 L CA -0.046 54.737 54.840 -0.095 0.000 0.933 416 L CB 0.541 42.526 42.059 -0.123 0.000 1.175 416 L HN 0.209 nan 8.230 nan 0.000 0.473 417 L N 0.340 121.525 121.223 -0.064 0.000 2.595 417 L HA 0.156 4.461 4.340 -0.057 0.000 0.259 417 L C 0.921 177.788 176.870 -0.005 0.000 1.033 417 L CA -0.182 54.629 54.840 -0.049 0.000 0.901 417 L CB 0.548 42.529 42.059 -0.129 0.000 1.151 417 L HN -0.049 nan 8.230 nan 0.000 0.453 418 K N 1.544 121.953 120.400 0.015 0.000 1.975 418 K HA -0.052 4.234 4.320 -0.057 0.000 0.224 418 K C -0.120 176.512 176.600 0.053 0.000 1.038 418 K CA 1.159 57.461 56.287 0.025 0.000 1.009 418 K CB -0.441 32.071 32.500 0.020 0.000 0.750 418 K HN 0.638 nan 8.250 nan 0.000 0.445 419 D N -0.268 120.172 120.400 0.068 0.000 2.280 419 D HA 0.167 4.773 4.640 -0.057 0.000 0.236 419 D C -1.278 175.107 176.300 0.141 0.000 1.082 419 D CA -0.551 53.495 54.000 0.077 0.000 0.834 419 D CB 0.938 41.761 40.800 0.038 0.000 1.100 419 D HN 0.274 nan 8.370 nan 0.000 0.486 420 Y N 1.932 122.226 120.300 -0.010 0.000 2.421 420 Y HA 0.360 4.876 4.550 -0.057 0.000 0.339 420 Y C -1.253 174.637 175.900 -0.016 0.000 0.996 420 Y CA -0.927 57.166 58.100 -0.011 0.000 1.046 420 Y CB 1.923 40.379 38.460 -0.008 0.000 1.226 420 Y HN 0.429 nan 8.280 nan 0.000 0.445 421 V N 3.831 123.430 119.914 -0.525 0.000 2.448 421 V HA 0.541 4.627 4.120 -0.057 0.000 0.295 421 V C -0.232 175.565 176.094 -0.495 0.000 1.025 421 V CA -1.148 60.941 62.300 -0.351 0.000 0.859 421 V CB 1.409 33.089 31.823 -0.238 0.000 0.988 421 V HN 0.805 nan 8.190 nan 0.000 0.431 422 R N 1.873 122.242 120.500 -0.218 0.000 4.054 422 R HA 0.202 4.508 4.340 -0.057 0.000 0.227 422 R C 0.529 176.738 176.300 -0.153 0.000 1.902 422 R CA 0.094 56.117 56.100 -0.129 0.000 1.590 422 R CB -1.529 28.776 30.300 0.009 0.000 1.245 422 R HN 0.736 nan 8.270 nan 0.000 0.647 423 D N 0.941 121.205 120.400 -0.227 0.000 3.146 423 D HA -0.296 4.310 4.640 -0.057 0.000 0.362 423 D C 0.296 176.498 176.300 -0.164 0.000 1.082 423 D CA 2.417 56.295 54.000 -0.203 0.000 1.135 423 D CB 0.080 40.717 40.800 -0.272 0.000 1.068 423 D HN 0.552 nan 8.370 nan 0.000 0.500 424 D N -3.437 116.845 120.400 -0.197 0.000 2.946 424 D HA -0.078 4.528 4.640 -0.057 0.000 0.680 424 D C 0.641 176.789 176.300 -0.253 0.000 0.332 424 D CA 0.174 54.077 54.000 -0.162 0.000 1.142 424 D CB -0.654 40.073 40.800 -0.121 0.000 1.287 424 D HN -0.028 nan 8.370 nan 0.000 0.305 425 E N 0.596 120.546 120.200 -0.417 0.000 2.502 425 E HA 0.294 4.609 4.350 -0.057 0.000 0.194 425 E C 1.397 177.587 176.600 -0.683 0.000 1.062 425 E CA 0.763 56.698 56.400 -0.775 0.000 0.867 425 E CB 0.482 29.307 29.700 -1.459 0.000 0.888 425 E HN 0.385 nan 8.360 nan 0.000 0.510 426 A N 0.690 123.273 122.820 -0.395 0.000 2.044 426 A HA 0.012 4.298 4.320 -0.057 0.000 0.213 426 A C 2.135 179.665 177.584 -0.089 0.000 1.169 426 A CA 0.344 52.246 52.037 -0.225 0.000 0.724 426 A CB -0.057 18.777 19.000 -0.277 0.000 0.840 426 A HN 0.030 nan 8.150 nan 0.000 0.463 427 R N 0.048 120.474 120.500 -0.124 0.000 2.090 427 R HA -0.053 4.253 4.340 -0.057 0.000 0.228 427 R C 1.621 177.863 176.300 -0.097 0.000 1.110 427 R CA 1.257 57.316 56.100 -0.067 0.000 0.973 427 R CB -0.235 30.018 30.300 -0.079 0.000 0.869 427 R HN 0.402 nan 8.270 nan 0.000 0.440 428 I N 1.577 122.023 120.570 -0.205 0.000 2.264 428 I HA -0.286 3.850 4.170 -0.057 0.000 0.248 428 I C 1.684 177.716 176.117 -0.142 0.000 1.111 428 I CA 1.508 62.626 61.300 -0.302 0.000 1.382 428 I CB -1.420 36.165 38.000 -0.691 0.000 1.060 428 I HN 0.322 nan 8.210 nan 0.000 0.418 429 N N 0.127 118.793 118.700 -0.057 0.000 2.142 429 N HA -0.209 4.497 4.740 -0.057 0.000 0.186 429 N C 1.879 177.484 175.510 0.158 0.000 1.023 429 N CA 0.557 53.663 53.050 0.094 0.000 0.852 429 N CB -0.087 38.469 38.487 0.115 0.000 0.998 429 N HN 0.401 nan 8.380 nan 0.000 0.424 430 Q N 0.896 120.760 119.800 0.106 0.000 2.291 430 Q HA -0.116 4.190 4.340 -0.057 0.000 0.206 430 Q C 1.679 177.748 176.000 0.116 0.000 0.976 430 Q CA 0.996 56.862 55.803 0.105 0.000 0.875 430 Q CB 0.167 28.949 28.738 0.074 0.000 0.927 430 Q HN 0.460 nan 8.270 nan 0.000 0.450 431 L N -1.536 119.760 121.223 0.121 0.000 2.357 431 L HA 0.026 4.331 4.340 -0.057 0.000 0.211 431 L C 2.042 179.111 176.870 0.332 0.000 1.075 431 L CA 0.040 54.999 54.840 0.199 0.000 0.830 431 L CB -0.301 41.819 42.059 0.101 0.000 0.996 431 L HN 0.109 nan 8.230 nan 0.000 0.467 432 F N 0.712 120.722 119.950 0.100 0.000 2.146 432 F HA -0.181 4.313 4.527 -0.056 0.000 0.298 432 F C 2.190 178.064 175.800 0.123 0.000 1.096 432 F CA 1.348 59.398 58.000 0.083 0.000 1.275 432 F CB 0.106 39.098 39.000 -0.013 0.000 1.008 432 F HN -0.110 nan 8.300 nan 0.000 0.480 433 L N -0.540 120.830 121.223 0.245 0.000 2.201 433 L HA -0.167 4.138 4.340 -0.057 0.000 0.212 433 L C 1.897 178.823 176.870 0.092 0.000 1.105 433 L CA 1.632 56.573 54.840 0.168 0.000 0.775 433 L CB -0.457 41.725 42.059 0.206 0.000 0.913 433 L HN 0.157 nan 8.230 nan 0.000 0.440 434 T N -0.720 113.924 114.554 0.150 0.000 2.978 434 T HA 0.061 4.377 4.350 -0.057 0.000 0.262 434 T C 1.844 176.634 174.700 0.149 0.000 1.063 434 T CA 0.794 63.015 62.100 0.201 0.000 1.140 434 T CB 0.012 69.125 68.868 0.407 0.000 0.886 434 T HN 0.471 nan 8.240 nan 0.000 0.470 435 A N 1.526 124.349 122.820 0.006 0.000 1.969 435 A HA 0.087 4.372 4.320 -0.057 0.000 0.218 435 A C 2.128 179.516 177.584 -0.327 0.000 1.169 435 A CA 0.966 52.797 52.037 -0.344 0.000 0.635 435 A CB -0.757 17.998 19.000 -0.408 0.000 0.810 435 A HN 0.489 nan 8.150 nan 0.000 0.445 436 L N -0.701 120.346 121.223 -0.294 0.000 2.362 436 L HA -0.108 4.198 4.340 -0.057 0.000 0.219 436 L C 1.286 178.041 176.870 -0.192 0.000 1.134 436 L CA 0.975 55.647 54.840 -0.279 0.000 0.807 436 L CB -0.335 41.664 42.059 -0.100 0.000 0.927 436 L HN 0.294 nan 8.230 nan 0.000 0.447 437 D N -1.045 119.316 120.400 -0.065 0.000 2.463 437 D HA -0.016 4.589 4.640 -0.057 0.000 0.237 437 D C 2.063 178.475 176.300 0.187 0.000 1.013 437 D CA 0.459 54.480 54.000 0.036 0.000 0.910 437 D CB 0.227 41.043 40.800 0.026 0.000 1.080 437 D HN 0.072 nan 8.370 nan 0.000 0.498 438 K N 0.609 121.100 120.400 0.152 0.000 2.141 438 K HA 0.229 4.514 4.320 -0.057 0.000 0.202 438 K C 2.297 179.048 176.600 0.253 0.000 1.045 438 K CA 0.200 56.693 56.287 0.344 0.000 0.971 438 K CB 0.050 32.750 32.500 0.333 0.000 0.795 438 K HN 0.172 nan 8.250 nan 0.000 0.459 439 I N 0.790 121.308 120.570 -0.087 0.000 2.206 439 I HA -0.186 3.950 4.170 -0.057 0.000 0.239 439 I C 2.210 178.296 176.117 -0.051 0.000 1.078 439 I CA 0.597 61.818 61.300 -0.132 0.000 1.367 439 I CB -0.321 37.483 38.000 -0.326 0.000 1.078 439 I HN -0.224 nan 8.210 nan 0.000 0.413 440 V N 0.895 120.717 119.914 -0.152 0.000 2.439 440 V HA -0.340 3.746 4.120 -0.057 0.000 0.253 440 V C 2.292 178.274 176.094 -0.187 0.000 1.074 440 V CA 2.147 64.269 62.300 -0.296 0.000 1.076 440 V CB -0.743 30.590 31.823 -0.816 0.000 0.664 440 V HN 0.383 nan 8.190 nan 0.000 0.461 441 F N -0.061 119.766 119.950 -0.205 0.000 2.206 441 F HA -0.073 4.419 4.527 -0.059 0.000 0.298 441 F C 2.009 177.720 175.800 -0.149 0.000 1.090 441 F CA 1.217 59.103 58.000 -0.190 0.000 1.323 441 F CB -0.180 38.604 39.000 -0.360 0.000 1.028 441 F HN 0.041 nan 8.300 nan 0.000 0.492 442 L N 1.104 122.305 121.223 -0.036 0.000 2.010 442 L HA -0.248 4.058 4.340 -0.057 0.000 0.219 442 L C -0.334 176.446 176.870 -0.150 0.000 1.077 442 L CA 1.978 56.786 54.840 -0.053 0.000 0.773 442 L CB -2.506 39.610 42.059 0.096 0.000 0.892 442 L HN 0.150 nan 8.230 nan 0.000 0.436 443 P HA -0.187 nan 4.420 nan 0.000 0.225 443 P C 1.618 178.759 177.300 -0.265 0.000 1.156 443 P CA 1.195 64.164 63.100 -0.219 0.000 0.787 443 P CB -0.067 31.526 31.700 -0.178 0.000 0.802 444 F N 2.022 121.729 119.950 -0.404 0.000 2.113 444 F HA -0.012 4.479 4.527 -0.059 0.000 0.297 444 F C 2.294 177.771 175.800 -0.538 0.000 1.103 444 F CA 1.771 59.516 58.000 -0.426 0.000 1.248 444 F CB -0.817 37.936 39.000 -0.412 0.000 0.999 444 F HN -0.098 nan 8.300 nan 0.000 0.475 445 A N 0.026 122.460 122.820 -0.643 0.000 2.015 445 A HA -0.135 4.151 4.320 -0.057 0.000 0.219 445 A C 2.125 179.518 177.584 -0.319 0.000 1.163 445 A CA 1.174 52.935 52.037 -0.460 0.000 0.646 445 A CB -1.395 17.392 19.000 -0.354 0.000 0.806 445 A HN 0.529 nan 8.150 nan 0.000 0.448 446 F N 1.995 121.616 119.950 -0.547 0.000 2.113 446 F HA -0.125 4.367 4.527 -0.058 0.000 0.297 446 F C 2.813 178.185 175.800 -0.713 0.000 1.103 446 F CA 1.937 59.590 58.000 -0.579 0.000 1.248 446 F CB -1.105 37.516 39.000 -0.631 0.000 0.999 446 F HN 0.407 nan 8.300 nan 0.000 0.475 447 T N -1.809 112.357 114.554 -0.646 0.000 2.867 447 T HA -0.204 4.112 4.350 -0.057 0.000 0.268 447 T C 2.079 176.407 174.700 -0.620 0.000 1.057 447 T CA 1.242 62.902 62.100 -0.734 0.000 1.136 447 T CB -0.435 68.015 68.868 -0.697 0.000 0.874 447 T HN 0.091 nan 8.240 nan 0.000 0.466 448 M N 1.825 120.996 119.600 -0.715 0.000 2.082 448 M HA -0.092 4.354 4.480 -0.057 0.000 0.258 448 M C 1.692 177.760 176.300 -0.387 0.000 1.069 448 M CA 1.731 56.664 55.300 -0.611 0.000 1.102 448 M CB -1.139 30.893 32.600 -0.946 0.000 1.336 448 M HN 0.276 nan 8.290 nan 0.000 0.404 449 D N -0.454 119.653 120.400 -0.487 0.000 2.271 449 D HA 0.001 4.607 4.640 -0.057 0.000 0.206 449 D C 1.985 177.681 176.300 -1.006 0.000 0.967 449 D CA 0.607 54.188 54.000 -0.698 0.000 0.867 449 D CB 0.030 40.325 40.800 -0.840 0.000 0.960 449 D HN 0.314 nan 8.370 nan 0.000 0.509 450 K N -0.145 119.776 120.400 -0.798 0.000 2.097 450 K HA -0.180 4.105 4.320 -0.057 0.000 0.206 450 K C 1.977 178.430 176.600 -0.246 0.000 1.049 450 K CA 0.826 56.818 56.287 -0.492 0.000 0.933 450 K CB -0.180 31.956 32.500 -0.606 0.000 0.717 450 K HN 0.182 nan 8.250 nan 0.000 0.442 451 Y N 1.908 121.977 120.300 -0.386 0.000 2.200 451 Y HA -0.148 4.367 4.550 -0.058 0.000 0.290 451 Y C 1.839 177.570 175.900 -0.282 0.000 1.137 451 Y CA 1.450 59.390 58.100 -0.267 0.000 1.163 451 Y CB 0.025 38.371 38.460 -0.190 0.000 0.988 451 Y HN -0.111 nan 8.280 nan 0.000 0.518 452 R N -1.504 118.697 120.500 -0.499 0.000 2.236 452 R HA -0.132 4.173 4.340 -0.057 0.000 0.208 452 R C 1.808 177.491 176.300 -1.028 0.000 1.036 452 R CA 0.845 56.468 56.100 -0.795 0.000 1.001 452 R CB -0.330 29.674 30.300 -0.494 0.000 0.896 452 R HN 0.383 nan 8.270 nan 0.000 0.464 453 W N 0.868 121.796 121.300 -0.621 0.000 2.441 453 W HA -0.023 4.603 4.660 -0.058 0.000 0.302 453 W C 2.522 178.850 176.519 -0.318 0.000 1.191 453 W CA 1.116 58.208 57.345 -0.422 0.000 1.327 453 W CB -1.089 28.276 29.460 -0.159 0.000 1.128 453 W HN 0.103 nan 8.180 nan 0.000 0.522 454 S N -0.058 115.609 115.700 -0.055 0.000 2.442 454 S HA -0.143 4.293 4.470 -0.057 0.000 0.236 454 S C 1.899 176.413 174.600 -0.145 0.000 1.007 454 S CA 1.090 59.246 58.200 -0.073 0.000 0.965 454 S CB -0.793 62.366 63.200 -0.067 0.000 0.773 454 S HN 0.201 nan 8.310 nan 0.000 0.504 455 L N -0.466 120.556 121.223 -0.336 0.000 2.084 455 L HA 0.150 4.456 4.340 -0.057 0.000 0.202 455 L C 2.561 179.453 176.870 0.036 0.000 1.074 455 L CA 1.160 55.821 54.840 -0.299 0.000 0.757 455 L CB -0.693 40.993 42.059 -0.622 0.000 0.918 455 L HN 0.299 nan 8.230 nan 0.000 0.444 456 F N 0.572 120.417 119.950 -0.176 0.000 2.154 456 F HA -0.181 4.312 4.527 -0.058 0.000 0.301 456 F C 1.410 177.151 175.800 -0.099 0.000 1.087 456 F CA 0.286 58.184 58.000 -0.169 0.000 1.274 456 F CB -0.227 38.649 39.000 -0.206 0.000 1.009 456 F HN 0.081 nan 8.300 nan 0.000 0.485 457 R N 0.106 120.683 120.500 0.128 0.000 2.459 457 R HA 0.199 4.505 4.340 -0.057 0.000 0.281 457 R C 0.968 177.312 176.300 0.073 0.000 1.050 457 R CA 0.029 56.169 56.100 0.067 0.000 1.055 457 R CB 0.624 30.947 30.300 0.038 0.000 1.045 457 R HN 0.022 nan 8.270 nan 0.000 0.495 458 G N 1.302 110.145 108.800 0.071 0.000 3.295 458 G HA2 -0.097 3.829 3.960 -0.057 0.000 0.231 458 G HA3 -0.097 3.829 3.960 -0.057 0.000 0.231 458 G C 0.423 175.384 174.900 0.102 0.000 1.277 458 G CA -0.148 45.010 45.100 0.097 0.000 1.013 458 G HN 0.709 nan 8.290 nan 0.000 0.509 459 E N -0.741 119.509 120.200 0.084 0.000 2.265 459 E HA -0.026 4.290 4.350 -0.057 0.000 0.196 459 E C 0.524 177.195 176.600 0.118 0.000 0.996 459 E CA 0.309 56.759 56.400 0.083 0.000 0.832 459 E CB 0.254 29.989 29.700 0.059 0.000 0.756 459 E HN 0.315 nan 8.360 nan 0.000 0.491 460 V N 1.136 121.150 119.914 0.166 0.000 2.815 460 V HA 0.184 4.270 4.120 -0.057 0.000 0.314 460 V C -0.590 175.726 176.094 0.370 0.000 1.064 460 V CA -0.957 61.495 62.300 0.252 0.000 0.952 460 V CB 2.017 33.984 31.823 0.240 0.000 1.020 460 V HN -0.094 nan 8.190 nan 0.000 0.439 461 D N 2.431 123.017 120.400 0.310 0.000 2.264 461 D HA 0.259 4.864 4.640 -0.057 0.000 0.250 461 D C 1.273 177.669 176.300 0.159 0.000 1.113 461 D CA -0.507 53.615 54.000 0.202 0.000 0.871 461 D CB 1.233 42.108 40.800 0.125 0.000 1.167 461 D HN 0.513 nan 8.370 nan 0.000 0.447 462 K N 2.112 122.379 120.400 -0.221 0.000 2.228 462 K HA -0.239 4.047 4.320 -0.057 0.000 0.205 462 K C 1.374 177.797 176.600 -0.296 0.000 1.045 462 K CA 1.093 56.880 56.287 -0.833 0.000 0.931 462 K CB -0.575 31.437 32.500 -0.813 0.000 0.727 462 K HN 0.341 nan 8.250 nan 0.000 0.458 463 A N 1.164 123.941 122.820 -0.072 0.000 2.209 463 A HA -0.047 4.239 4.320 -0.057 0.000 0.212 463 A C 1.031 178.702 177.584 0.146 0.000 1.158 463 A CA 0.935 52.990 52.037 0.029 0.000 0.742 463 A CB -0.514 18.504 19.000 0.030 0.000 0.790 463 A HN 0.619 nan 8.150 nan 0.000 0.472 464 N N -2.538 116.310 118.700 0.247 0.000 2.194 464 N HA 0.054 4.760 4.740 -0.057 0.000 0.231 464 N C 0.443 176.250 175.510 0.494 0.000 1.247 464 N CA -0.416 52.827 53.050 0.321 0.000 0.884 464 N CB 0.189 38.835 38.487 0.264 0.000 1.146 464 N HN 0.466 nan 8.380 nan 0.000 0.516 465 W N 1.806 123.269 121.300 0.271 0.000 2.325 465 W HA -0.077 4.547 4.660 -0.060 0.000 0.299 465 W C 2.009 178.815 176.519 0.479 0.000 1.215 465 W CA 0.881 58.468 57.345 0.403 0.000 1.244 465 W CB -0.658 29.059 29.460 0.429 0.000 1.140 465 W HN 0.248 nan 8.180 nan 0.000 0.523 466 N N -1.472 117.601 118.700 0.621 0.000 2.416 466 N HA -0.094 4.612 4.740 -0.057 0.000 0.177 466 N C 1.310 177.055 175.510 0.392 0.000 1.036 466 N CA 1.047 54.363 53.050 0.442 0.000 0.901 466 N CB -0.107 38.664 38.487 0.474 0.000 0.976 466 N HN 0.038 nan 8.380 nan 0.000 0.444 467 c N 0.072 118.899 118.600 0.379 0.000 2.507 467 c HA 0.269 4.805 4.570 -0.057 0.000 0.280 467 c C 2.850 177.095 174.090 0.258 0.000 1.345 467 c CA 0.305 56.839 56.329 0.342 0.000 1.736 467 c CB -0.770 41.905 42.510 0.276 0.000 2.060 467 c HN 0.517 nan 8.230 nan 0.000 0.498 468 A N 0.398 123.378 122.820 0.267 0.000 1.908 468 A HA -0.241 4.045 4.320 -0.057 0.000 0.218 468 A C 1.880 179.522 177.584 0.096 0.000 1.181 468 A CA 1.861 54.034 52.037 0.225 0.000 0.627 468 A CB -0.849 18.337 19.000 0.311 0.000 0.818 468 A HN 0.552 nan 8.150 nan 0.000 0.445 469 F N -0.906 118.886 119.950 -0.264 0.000 2.075 469 F HA -0.180 4.314 4.527 -0.054 0.000 0.297 469 F C 2.002 177.439 175.800 -0.604 0.000 1.113 469 F CA 1.765 59.222 58.000 -0.905 0.000 1.218 469 F CB -0.603 37.463 39.000 -1.558 0.000 0.984 469 F HN 0.398 nan 8.300 nan 0.000 0.472 470 W N 0.395 121.575 121.300 -0.199 0.000 2.436 470 W HA -0.097 4.529 4.660 -0.056 0.000 0.284 470 W C 2.438 178.872 176.519 -0.141 0.000 1.225 470 W CA 0.851 58.074 57.345 -0.204 0.000 1.271 470 W CB -0.327 29.127 29.460 -0.009 0.000 1.114 470 W HN -0.083 nan 8.180 nan 0.000 0.559 471 K N 0.486 120.965 120.400 0.131 0.000 2.148 471 K HA -0.142 4.144 4.320 -0.057 0.000 0.204 471 K C 1.735 178.376 176.600 0.068 0.000 1.050 471 K CA 1.103 57.463 56.287 0.121 0.000 0.942 471 K CB -0.587 31.988 32.500 0.126 0.000 0.724 471 K HN 0.025 nan 8.250 nan 0.000 0.446 472 L N 0.612 121.802 121.223 -0.056 0.000 2.217 472 L HA 0.022 4.328 4.340 -0.057 0.000 0.211 472 L C 1.816 178.593 176.870 -0.154 0.000 1.107 472 L CA 1.389 56.163 54.840 -0.109 0.000 0.783 472 L CB -0.287 41.619 42.059 -0.255 0.000 0.919 472 L HN 0.087 nan 8.230 nan 0.000 0.442 473 R N -0.655 119.686 120.500 -0.265 0.000 2.153 473 R HA -0.049 4.257 4.340 -0.057 0.000 0.218 473 R C 1.743 178.051 176.300 0.014 0.000 1.072 473 R CA 0.871 56.856 56.100 -0.191 0.000 0.990 473 R CB -0.766 29.416 30.300 -0.197 0.000 0.889 473 R HN 0.411 nan 8.270 nan 0.000 0.452 474 D N 1.275 121.719 120.400 0.074 0.000 2.084 474 D HA -0.128 4.478 4.640 -0.057 0.000 0.199 474 D C 1.393 177.884 176.300 0.317 0.000 0.981 474 D CA 1.274 55.347 54.000 0.122 0.000 0.841 474 D CB 0.075 40.978 40.800 0.173 0.000 0.997 474 D HN 0.201 nan 8.370 nan 0.000 0.454 475 E N -1.074 119.328 120.200 0.336 0.000 2.086 475 E HA -0.236 4.080 4.350 -0.057 0.000 0.200 475 E C 2.288 179.123 176.600 0.393 0.000 1.012 475 E CA 1.389 58.000 56.400 0.351 0.000 0.812 475 E CB -0.321 29.501 29.700 0.203 0.000 0.743 475 E HN 0.500 nan 8.360 nan 0.000 0.453 476 Y N -0.532 119.903 120.300 0.225 0.000 2.436 476 Y HA 0.062 4.579 4.550 -0.056 0.000 0.288 476 Y C 2.449 178.528 175.900 0.298 0.000 1.112 476 Y CA 0.599 58.817 58.100 0.196 0.000 1.220 476 Y CB 0.617 38.972 38.460 -0.175 0.000 1.073 476 Y HN -0.087 nan 8.280 nan 0.000 0.552 477 S N -1.804 114.080 115.700 0.307 0.000 2.506 477 S HA 0.213 4.649 4.470 -0.057 0.000 0.219 477 S C 1.522 176.144 174.600 0.036 0.000 1.031 477 S CA 0.621 58.995 58.200 0.290 0.000 0.911 477 S CB 0.404 63.738 63.200 0.224 0.000 0.812 477 S HN 0.586 nan 8.310 nan 0.000 0.497 478 G N 1.342 109.660 108.800 -0.804 0.000 2.147 478 G HA2 -0.228 3.697 3.960 -0.057 0.000 0.244 478 G HA3 -0.228 3.697 3.960 -0.057 0.000 0.244 478 G C -0.185 174.349 174.900 -0.609 0.000 1.005 478 G CA 0.140 44.051 45.100 -1.981 0.000 0.713 478 G HN 0.382 nan 8.290 nan 0.000 0.515 479 I N 0.657 121.083 120.570 -0.241 0.000 2.750 479 I HA 0.726 4.862 4.170 -0.057 0.000 0.308 479 I C 0.145 176.216 176.117 -0.078 0.000 1.016 479 I CA -1.149 60.098 61.300 -0.090 0.000 1.098 479 I CB 1.810 39.853 38.000 0.071 0.000 1.279 479 I HN 0.439 nan 8.210 nan 0.000 0.454 480 E N 4.590 124.699 120.200 -0.153 0.000 2.413 480 E HA 0.605 4.921 4.350 -0.057 0.000 0.277 480 E C -2.954 173.335 176.600 -0.518 0.000 0.958 480 E CA -2.200 54.038 56.400 -0.270 0.000 0.779 480 E CB 1.801 31.351 29.700 -0.250 0.000 1.278 480 E HN 0.082 nan 8.360 nan 0.000 0.456 481 P HA 0.093 nan 4.420 nan 0.000 0.270 481 P C -2.138 174.508 177.300 -1.089 0.000 1.223 481 P CA -1.021 61.299 63.100 -1.301 0.000 0.785 481 P CB 0.165 31.019 31.700 -1.410 0.000 0.923 482 P HA -0.099 nan 4.420 nan 0.000 0.217 482 P C 0.052 176.940 177.300 -0.687 0.000 1.150 482 P CA 1.240 63.659 63.100 -1.134 0.000 0.832 482 P CB 0.036 30.860 31.700 -1.460 0.000 0.787 483 V N -5.732 113.811 119.914 -0.618 0.000 3.074 483 V HA 0.454 4.540 4.120 -0.057 0.000 0.314 483 V C -0.102 175.809 176.094 -0.306 0.000 1.117 483 V CA -1.496 60.599 62.300 -0.342 0.000 1.014 483 V CB 1.723 33.432 31.823 -0.190 0.000 1.057 483 V HN -0.373 nan 8.190 nan 0.000 0.438 484 V N 3.111 122.902 119.914 -0.204 0.000 2.673 484 V HA 0.363 4.449 4.120 -0.057 0.000 0.303 484 V C 0.546 176.574 176.094 -0.109 0.000 1.046 484 V CA 0.048 62.247 62.300 -0.168 0.000 1.126 484 V CB -0.045 31.707 31.823 -0.120 0.000 0.934 484 V HN 0.914 nan 8.190 nan 0.000 0.487 485 R N 2.721 123.158 120.500 -0.104 0.000 2.923 485 R HA 0.821 5.126 4.340 -0.057 0.000 0.252 485 R C -0.138 176.200 176.300 0.063 0.000 1.130 485 R CA -0.510 55.596 56.100 0.010 0.000 1.043 485 R CB 2.052 32.371 30.300 0.031 0.000 1.205 485 R HN 0.894 nan 8.270 nan 0.000 0.495 486 S N -1.224 114.557 115.700 0.136 0.000 2.705 486 S HA 0.301 4.737 4.470 -0.057 0.000 0.280 486 S C 0.218 174.944 174.600 0.209 0.000 1.174 486 S CA -0.804 57.486 58.200 0.150 0.000 0.823 486 S CB 1.554 64.823 63.200 0.115 0.000 1.162 486 S HN 0.418 nan 8.310 nan 0.000 0.487 487 E N 0.691 121.010 120.200 0.198 0.000 2.472 487 E HA -0.025 4.291 4.350 -0.057 0.000 0.200 487 E C 1.093 177.814 176.600 0.203 0.000 1.046 487 E CA 0.565 57.102 56.400 0.227 0.000 0.871 487 E CB -0.266 29.547 29.700 0.188 0.000 0.806 487 E HN 0.578 nan 8.360 nan 0.000 0.533 488 K N 0.670 121.174 120.400 0.173 0.000 2.167 488 K HA -0.037 4.249 4.320 -0.057 0.000 0.203 488 K C 0.395 177.105 176.600 0.182 0.000 1.052 488 K CA 0.710 57.087 56.287 0.150 0.000 0.956 488 K CB 0.123 32.703 32.500 0.133 0.000 0.735 488 K HN 0.122 nan 8.250 nan 0.000 0.451 489 D N -0.778 119.756 120.400 0.224 0.000 2.387 489 D HA 0.275 4.881 4.640 -0.057 0.000 0.255 489 D C -1.104 175.421 176.300 0.375 0.000 1.081 489 D CA -0.417 53.738 54.000 0.257 0.000 0.994 489 D CB 0.874 41.821 40.800 0.245 0.000 1.127 489 D HN -0.132 nan 8.370 nan 0.000 0.513 490 F N 0.904 120.940 119.950 0.143 0.000 3.034 490 F HA 0.247 4.738 4.527 -0.060 0.000 0.371 490 F C -0.362 175.448 175.800 0.017 0.000 1.233 490 F CA -0.693 57.364 58.000 0.094 0.000 1.134 490 F CB 1.223 40.269 39.000 0.077 0.000 1.495 490 F HN 0.232 nan 8.300 nan 0.000 0.563 491 D N 3.128 123.386 120.400 -0.236 0.000 2.271 491 D HA 0.038 4.644 4.640 -0.057 0.000 0.206 491 D C 2.179 178.045 176.300 -0.724 0.000 0.967 491 D CA 0.977 54.881 54.000 -0.160 0.000 0.867 491 D CB 0.279 41.442 40.800 0.604 0.000 0.960 491 D HN 0.581 nan 8.370 nan 0.000 0.509 492 A N 2.047 123.942 122.820 -1.542 0.000 1.971 492 A HA -0.179 4.107 4.320 -0.057 0.000 0.222 492 A C -0.372 176.669 177.584 -0.906 0.000 1.182 492 A CA 1.470 52.492 52.037 -1.692 0.000 0.649 492 A CB -1.526 16.433 19.000 -1.736 0.000 0.818 492 A HN 0.193 nan 8.150 nan 0.000 0.458 493 P HA 0.088 nan 4.420 nan 0.000 0.242 493 P C 1.101 178.304 177.300 -0.162 0.000 1.197 493 P CA 1.023 63.898 63.100 -0.374 0.000 0.765 493 P CB 0.039 31.611 31.700 -0.213 0.000 0.936 494 A N -0.711 121.967 122.820 -0.237 0.000 2.209 494 A HA -0.059 4.227 4.320 -0.057 0.000 0.212 494 A C 1.273 179.163 177.584 0.510 0.000 1.158 494 A CA 0.744 52.735 52.037 -0.078 0.000 0.742 494 A CB -0.725 17.772 19.000 -0.839 0.000 0.790 494 A HN 0.033 nan 8.150 nan 0.000 0.472 495 K N -0.498 119.975 120.400 0.122 0.000 2.264 495 K HA 0.321 4.607 4.320 -0.057 0.000 0.277 495 K C 0.447 176.886 176.600 -0.268 0.000 1.067 495 K CA -0.787 55.434 56.287 -0.110 0.000 0.900 495 K CB -0.031 32.345 32.500 -0.207 0.000 1.124 495 K HN 0.231 nan 8.250 nan 0.000 0.469 496 Y N 4.358 124.275 120.300 -0.639 0.000 2.064 496 Y HA -0.425 4.086 4.550 -0.065 0.000 0.262 496 Y C 0.990 176.469 175.900 -0.701 0.000 1.243 496 Y CA 2.705 60.047 58.100 -1.263 0.000 1.096 496 Y CB -0.469 37.251 38.460 -1.232 0.000 0.915 496 Y HN 0.910 nan 8.280 nan 0.000 0.505 497 H N -0.623 118.045 119.070 -0.671 0.000 2.457 497 H HA -0.151 4.374 4.556 -0.052 0.000 0.297 497 H C 2.169 177.311 175.328 -0.310 0.000 1.092 497 H CA 1.602 57.380 56.048 -0.450 0.000 1.309 497 H CB -0.346 29.433 29.762 0.029 0.000 1.382 497 H HN 0.359 nan 8.280 nan 0.000 0.535 498 I N -0.441 120.018 120.570 -0.186 0.000 2.406 498 I HA -0.130 4.006 4.170 -0.057 0.000 0.249 498 I C 2.172 178.195 176.117 -0.155 0.000 1.122 498 I CA 0.853 62.085 61.300 -0.113 0.000 1.431 498 I CB -0.924 36.927 38.000 -0.247 0.000 1.087 498 I HN 0.144 nan 8.210 nan 0.000 0.424 499 S N 0.966 116.481 115.700 -0.308 0.000 2.368 499 S HA 0.013 4.449 4.470 -0.057 0.000 0.224 499 S C 1.906 176.319 174.600 -0.312 0.000 1.029 499 S CA 1.240 59.280 58.200 -0.267 0.000 0.988 499 S CB -0.090 62.941 63.200 -0.281 0.000 0.838 499 S HN 0.518 nan 8.310 nan 0.000 0.462 500 A N 0.618 123.119 122.820 -0.531 0.000 2.307 500 A HA 0.267 4.553 4.320 -0.057 0.000 0.218 500 A C 0.416 177.862 177.584 -0.229 0.000 1.228 500 A CA 0.233 51.998 52.037 -0.452 0.000 0.857 500 A CB -0.268 18.206 19.000 -0.877 0.000 0.897 500 A HN 0.374 nan 8.150 nan 0.000 0.495 501 D N -0.756 119.563 120.400 -0.136 0.000 2.812 501 D HA -0.138 4.468 4.640 -0.057 0.000 0.237 501 D C -0.891 175.510 176.300 0.169 0.000 1.162 501 D CA 0.878 54.959 54.000 0.135 0.000 0.740 501 D CB -1.520 39.433 40.800 0.255 0.000 1.000 501 D HN 0.209 nan 8.370 nan 0.000 0.416 502 V N 2.821 122.788 119.914 0.087 0.000 2.409 502 V HA 0.235 4.320 4.120 -0.057 0.000 0.290 502 V C 0.605 176.691 176.094 -0.014 0.000 1.017 502 V CA -1.005 61.315 62.300 0.034 0.000 0.841 502 V CB 1.669 33.495 31.823 0.005 0.000 1.003 502 V HN 0.336 nan 8.190 nan 0.000 0.426 503 E N 2.731 122.687 120.200 -0.407 0.000 2.568 503 E HA -0.137 4.178 4.350 -0.057 0.000 0.262 503 E C -0.510 175.906 176.600 -0.306 0.000 0.961 503 E CA 0.609 56.455 56.400 -0.923 0.000 0.945 503 E CB 0.566 29.438 29.700 -1.380 0.000 0.924 503 E HN 0.702 nan 8.360 nan 0.000 0.467 504 Y N 3.970 124.100 120.300 -0.283 0.000 2.462 504 Y HA 0.027 4.541 4.550 -0.059 0.000 0.253 504 Y C 1.769 177.653 175.900 -0.025 0.000 1.095 504 Y CA 0.004 58.093 58.100 -0.018 0.000 1.283 504 Y CB 0.397 38.793 38.460 -0.107 0.000 1.138 504 Y HN 0.590 nan 8.280 nan 0.000 0.522 505 L N 1.388 122.580 121.223 -0.052 0.000 2.265 505 L HA -0.195 4.111 4.340 -0.057 0.000 0.215 505 L C 2.516 179.368 176.870 -0.029 0.000 1.117 505 L CA 1.600 56.429 54.840 -0.018 0.000 0.782 505 L CB -0.481 41.639 42.059 0.100 0.000 0.914 505 L HN 0.253 nan 8.230 nan 0.000 0.441 506 R N -2.277 118.148 120.500 -0.125 0.000 2.159 506 R HA -0.223 4.083 4.340 -0.057 0.000 0.237 506 R C 1.806 177.947 176.300 -0.265 0.000 1.131 506 R CA 1.900 57.897 56.100 -0.172 0.000 0.982 506 R CB -0.994 29.078 30.300 -0.380 0.000 0.868 506 R HN 0.320 nan 8.270 nan 0.000 0.453 507 Y N 0.876 121.130 120.300 -0.077 0.000 2.243 507 Y HA -0.045 4.470 4.550 -0.060 0.000 0.293 507 Y C 2.251 178.246 175.900 0.158 0.000 1.124 507 Y CA 0.578 58.708 58.100 0.050 0.000 1.159 507 Y CB -0.481 37.925 38.460 -0.090 0.000 1.008 507 Y HN 0.013 nan 8.280 nan 0.000 0.527 508 L N 0.628 121.933 121.223 0.137 0.000 1.989 508 L HA -0.175 4.131 4.340 -0.057 0.000 0.211 508 L C 2.399 179.301 176.870 0.054 0.000 1.071 508 L CA 2.050 56.902 54.840 0.020 0.000 0.749 508 L CB -1.207 40.738 42.059 -0.190 0.000 0.890 508 L HN 0.186 nan 8.230 nan 0.000 0.431 509 V N -2.804 117.110 119.914 0.001 0.000 2.392 509 V HA -0.256 3.830 4.120 -0.057 0.000 0.249 509 V C 2.583 178.703 176.094 0.043 0.000 1.059 509 V CA 2.022 64.315 62.300 -0.011 0.000 1.051 509 V CB -1.814 30.026 31.823 0.028 0.000 0.658 509 V HN 0.637 nan 8.190 nan 0.000 0.455 510 S N 0.517 116.301 115.700 0.140 0.000 2.348 510 S HA -0.156 4.280 4.470 -0.057 0.000 0.221 510 S C 1.809 176.514 174.600 0.174 0.000 1.033 510 S CA 1.801 60.092 58.200 0.152 0.000 1.010 510 S CB -0.763 62.588 63.200 0.251 0.000 0.891 510 S HN 0.643 nan 8.310 nan 0.000 0.442 511 F N 1.058 121.036 119.950 0.047 0.000 2.373 511 F HA -0.031 4.461 4.527 -0.058 0.000 0.300 511 F C 1.980 177.870 175.800 0.150 0.000 1.080 511 F CA 0.727 58.775 58.000 0.079 0.000 1.417 511 F CB -0.160 38.959 39.000 0.198 0.000 1.070 511 F HN 0.276 nan 8.300 nan 0.000 0.546 512 I N -0.556 120.141 120.570 0.212 0.000 2.368 512 I HA -0.186 3.950 4.170 -0.057 0.000 0.238 512 I C 2.262 178.374 176.117 -0.008 0.000 1.076 512 I CA 0.879 62.247 61.300 0.112 0.000 1.397 512 I CB -0.275 37.724 38.000 -0.003 0.000 1.141 512 I HN -0.003 nan 8.210 nan 0.000 0.430 513 I N 1.391 121.846 120.570 -0.191 0.000 2.830 513 I HA -0.275 3.860 4.170 -0.057 0.000 0.263 513 I C 2.574 178.277 176.117 -0.689 0.000 1.230 513 I CA 0.922 61.925 61.300 -0.495 0.000 1.480 513 I CB -0.123 37.449 38.000 -0.714 0.000 1.095 513 I HN 0.382 nan 8.210 nan 0.000 0.455 514 Q N -0.273 119.293 119.800 -0.391 0.000 2.291 514 Q HA -0.213 4.093 4.340 -0.057 0.000 0.206 514 Q C 1.688 177.466 176.000 -0.370 0.000 0.976 514 Q CA 1.559 57.165 55.803 -0.329 0.000 0.875 514 Q CB -0.532 27.970 28.738 -0.393 0.000 0.927 514 Q HN 0.415 nan 8.270 nan 0.000 0.450 515 F N 1.549 121.329 119.950 -0.283 0.000 2.335 515 F HA 0.024 4.517 4.527 -0.057 0.000 0.296 515 F C 2.398 178.100 175.800 -0.165 0.000 1.091 515 F CA 0.994 58.861 58.000 -0.221 0.000 1.399 515 F CB -0.020 38.844 39.000 -0.228 0.000 1.067 515 F HN 0.059 nan 8.300 nan 0.000 0.520 516 Q N -0.522 119.200 119.800 -0.130 0.000 2.124 516 Q HA -0.187 4.119 4.340 -0.057 0.000 0.202 516 Q C 2.168 178.069 176.000 -0.165 0.000 0.977 516 Q CA 1.800 57.487 55.803 -0.195 0.000 0.850 516 Q CB -0.454 28.056 28.738 -0.380 0.000 0.901 516 Q HN 0.422 nan 8.270 nan 0.000 0.429 517 F N -0.885 118.912 119.950 -0.256 0.000 2.084 517 F HA -0.248 4.245 4.527 -0.058 0.000 0.296 517 F C 2.330 178.063 175.800 -0.111 0.000 1.111 517 F CA 0.754 58.464 58.000 -0.483 0.000 1.224 517 F CB -0.416 38.130 39.000 -0.757 0.000 0.991 517 F HN 0.070 nan 8.300 nan 0.000 0.471 518 Y N 1.580 121.872 120.300 -0.012 0.000 2.114 518 Y HA -0.324 4.192 4.550 -0.057 0.000 0.282 518 Y C 2.526 178.430 175.900 0.007 0.000 1.165 518 Y CA 2.005 60.085 58.100 -0.034 0.000 1.148 518 Y CB -0.500 37.848 38.460 -0.186 0.000 0.972 518 Y HN -0.073 nan 8.280 nan 0.000 0.504 519 K N -0.731 119.704 120.400 0.058 0.000 2.147 519 K HA -0.144 4.142 4.320 -0.057 0.000 0.205 519 K C 2.099 178.712 176.600 0.022 0.000 1.049 519 K CA 1.632 57.892 56.287 -0.046 0.000 0.936 519 K CB -0.167 32.345 32.500 0.020 0.000 0.722 519 K HN 0.314 nan 8.250 nan 0.000 0.446 520 S N 0.370 116.140 115.700 0.117 0.000 2.395 520 S HA -0.011 4.425 4.470 -0.057 0.000 0.225 520 S C 1.970 176.608 174.600 0.064 0.000 1.027 520 S CA 0.791 59.080 58.200 0.149 0.000 0.965 520 S CB -0.024 63.362 63.200 0.311 0.000 0.812 520 S HN 0.488 nan 8.310 nan 0.000 0.482 521 A N 0.977 123.847 122.820 0.083 0.000 1.865 521 A HA -0.186 4.100 4.320 -0.057 0.000 0.217 521 A C 2.389 179.934 177.584 -0.065 0.000 1.191 521 A CA 1.717 53.752 52.037 -0.003 0.000 0.623 521 A CB -1.423 17.617 19.000 0.067 0.000 0.826 521 A HN 0.598 nan 8.150 nan 0.000 0.444 522 c N -0.717 117.785 118.600 -0.163 0.000 2.411 522 c HA -0.103 4.433 4.570 -0.057 0.000 0.279 522 c C 2.576 176.675 174.090 0.014 0.000 1.288 522 c CA 1.023 57.269 56.329 -0.139 0.000 1.764 522 c CB -1.421 40.900 42.510 -0.314 0.000 1.974 522 c HN 0.609 nan 8.230 nan 0.000 0.498 523 I N 0.492 121.096 120.570 0.057 0.000 2.286 523 I HA -0.168 3.968 4.170 -0.057 0.000 0.245 523 I C 2.442 178.565 176.117 0.010 0.000 1.104 523 I CA 1.452 62.798 61.300 0.077 0.000 1.397 523 I CB -0.417 37.646 38.000 0.105 0.000 1.072 523 I HN 0.339 nan 8.210 nan 0.000 0.417 524 K N 1.080 121.467 120.400 -0.023 0.000 2.211 524 K HA 0.012 4.298 4.320 -0.057 0.000 0.203 524 K C 0.913 177.490 176.600 -0.038 0.000 1.050 524 K CA 0.715 56.971 56.287 -0.052 0.000 0.945 524 K CB -0.126 32.310 32.500 -0.107 0.000 0.732 524 K HN 0.256 nan 8.250 nan 0.000 0.451 525 A N 0.530 123.334 122.820 -0.026 0.000 2.286 525 A HA 0.444 4.730 4.320 -0.057 0.000 0.286 525 A C 0.836 178.418 177.584 -0.003 0.000 1.097 525 A CA -0.222 51.806 52.037 -0.015 0.000 0.821 525 A CB 0.733 19.728 19.000 -0.008 0.000 1.076 525 A HN 0.279 nan 8.150 nan 0.000 0.490 526 G N -0.301 108.499 108.800 -0.000 0.000 3.414 526 G HA2 0.271 4.197 3.960 -0.057 0.000 0.258 526 G HA3 0.271 4.197 3.960 -0.057 0.000 0.258 526 G C 0.513 175.424 174.900 0.018 0.000 1.348 526 G CA -0.080 45.022 45.100 0.003 0.000 1.319 526 G HN 0.629 nan 8.290 nan 0.000 0.555 527 Q N -0.806 119.015 119.800 0.035 0.000 2.392 527 Q HA 0.097 4.403 4.340 -0.057 0.000 0.219 527 Q C -0.452 175.623 176.000 0.126 0.000 0.895 527 Q CA 0.104 55.945 55.803 0.063 0.000 0.929 527 Q CB 0.956 29.726 28.738 0.052 0.000 1.077 527 Q HN 0.545 nan 8.270 nan 0.000 0.532 528 Y N 1.469 121.749 120.300 -0.034 0.000 2.361 528 Y HA 0.383 4.899 4.550 -0.056 0.000 0.337 528 Y C -1.635 174.255 175.900 -0.015 0.000 0.965 528 Y CA -1.771 56.314 58.100 -0.024 0.000 1.091 528 Y CB 1.374 39.811 38.460 -0.038 0.000 1.182 528 Y HN -0.163 nan 8.280 nan 0.000 0.450 529 D N 8.522 128.541 120.400 -0.635 0.000 2.505 529 D HA 0.384 4.990 4.640 -0.057 0.000 0.250 529 D C -2.149 173.713 176.300 -0.731 0.000 1.164 529 D CA -2.425 51.234 54.000 -0.568 0.000 0.870 529 D CB 2.366 43.018 40.800 -0.247 0.000 1.160 529 D HN 0.330 nan 8.370 nan 0.000 0.549 530 P HA -0.127 nan 4.420 nan 0.000 0.216 530 P C 0.944 178.134 177.300 -0.184 0.000 1.153 530 P CA 0.613 63.475 63.100 -0.396 0.000 0.848 530 P CB 0.490 32.072 31.700 -0.197 0.000 0.787 531 D N 0.656 120.962 120.400 -0.157 0.000 2.173 531 D HA -0.121 4.485 4.640 -0.057 0.000 0.205 531 D C 0.356 176.611 176.300 -0.075 0.000 1.002 531 D CA 1.293 55.239 54.000 -0.090 0.000 0.881 531 D CB -0.626 40.127 40.800 -0.078 0.000 1.062 531 D HN 0.120 nan 8.370 nan 0.000 0.459 532 N N -0.637 118.016 118.700 -0.078 0.000 2.408 532 N HA 0.251 4.957 4.740 -0.057 0.000 0.260 532 N C 0.090 175.570 175.510 -0.050 0.000 1.242 532 N CA -0.535 52.483 53.050 -0.054 0.000 0.959 532 N CB 1.614 40.074 38.487 -0.045 0.000 1.201 532 N HN 0.037 nan 8.380 nan 0.000 0.511 533 V N -0.014 119.885 119.914 -0.026 0.000 3.871 533 V HA 0.183 4.269 4.120 -0.057 0.000 0.274 533 V C 0.966 177.058 176.094 -0.005 0.000 1.104 533 V CA -0.073 62.222 62.300 -0.009 0.000 0.852 533 V CB 0.645 32.467 31.823 -0.001 0.000 1.222 533 V HN 0.874 nan 8.190 nan 0.000 0.420 534 E N -1.095 119.110 120.200 0.008 0.000 3.799 534 E HA -0.220 4.096 4.350 -0.057 0.000 0.320 534 E C -0.241 176.375 176.600 0.025 0.000 0.760 534 E CA 1.435 57.843 56.400 0.013 0.000 1.153 534 E CB -1.105 28.597 29.700 0.005 0.000 1.589 534 E HN 0.560 nan 8.360 nan 0.000 0.448 535 L N 1.010 122.252 121.223 0.031 0.000 2.511 535 L HA 0.302 4.608 4.340 -0.057 0.000 0.252 535 L C -2.409 174.539 176.870 0.131 0.000 1.542 535 L CA -1.205 53.672 54.840 0.061 0.000 0.822 535 L CB 1.453 43.523 42.059 0.018 0.000 1.050 535 L HN -0.137 nan 8.230 nan 0.000 0.516 536 P HA 0.128 nan 4.420 nan 0.000 0.284 536 P C 1.057 178.477 177.300 0.200 0.000 1.253 536 P CA -0.476 62.729 63.100 0.174 0.000 0.800 536 P CB 2.261 33.998 31.700 0.062 0.000 0.961 537 L N 1.964 123.293 121.223 0.175 0.000 2.051 537 L HA -0.202 4.104 4.340 -0.057 0.000 0.214 537 L C 1.497 178.425 176.870 0.097 0.000 1.076 537 L CA 2.144 56.923 54.840 -0.102 0.000 0.758 537 L CB -0.547 41.309 42.059 -0.340 0.000 0.890 537 L HN 0.508 nan 8.230 nan 0.000 0.433 538 D N -1.952 118.393 120.400 -0.093 0.000 2.348 538 D HA -0.154 4.452 4.640 -0.057 0.000 0.248 538 D C 0.759 177.096 176.300 0.062 0.000 1.142 538 D CA 0.390 54.328 54.000 -0.102 0.000 0.904 538 D CB -0.535 39.972 40.800 -0.488 0.000 0.901 538 D HN 0.478 nan 8.370 nan 0.000 0.523 539 N N -0.268 118.504 118.700 0.120 0.000 2.301 539 N HA 0.075 4.781 4.740 -0.057 0.000 0.247 539 N C -0.339 175.257 175.510 0.144 0.000 1.347 539 N CA -0.432 52.690 53.050 0.120 0.000 0.844 539 N CB 0.668 39.204 38.487 0.082 0.000 1.332 539 N HN 0.198 nan 8.380 nan 0.000 0.494 540 c N -0.997 117.710 118.600 0.179 0.000 2.362 540 c HA 0.528 5.063 4.570 -0.057 0.000 0.363 540 c C 1.163 175.363 174.090 0.183 0.000 1.220 540 c CA -0.398 56.008 56.329 0.127 0.000 2.379 540 c CB 1.692 44.209 42.510 0.013 0.000 2.351 540 c HN 0.281 nan 8.230 nan 0.000 0.582 541 D N -0.681 119.820 120.400 0.167 0.000 2.498 541 D HA 0.033 4.639 4.640 -0.057 0.000 0.223 541 D C 1.586 178.063 176.300 0.295 0.000 1.125 541 D CA 0.444 54.596 54.000 0.253 0.000 0.835 541 D CB -0.153 40.805 40.800 0.263 0.000 1.086 541 D HN 0.906 nan 8.370 nan 0.000 0.510 542 I N -1.351 119.321 120.570 0.169 0.000 3.165 542 I HA -0.395 3.741 4.170 -0.057 0.000 0.262 542 I C -0.314 175.896 176.117 0.156 0.000 0.643 542 I CA 0.807 62.195 61.300 0.147 0.000 1.476 542 I CB -2.005 36.085 38.000 0.150 0.000 1.099 542 I HN 0.044 nan 8.210 nan 0.000 0.412 543 Y N 3.344 123.626 120.300 -0.030 0.000 2.610 543 Y HA 0.391 4.906 4.550 -0.057 0.000 0.332 543 Y C 1.528 177.270 175.900 -0.264 0.000 1.201 543 Y CA 1.107 58.894 58.100 -0.521 0.000 1.465 543 Y CB 0.627 38.704 38.460 -0.638 0.000 1.283 543 Y HN 0.410 nan 8.280 nan 0.000 0.563 544 G N 3.365 111.607 108.800 -0.929 0.000 2.166 544 G HA2 -0.315 3.610 3.960 -0.057 0.000 0.260 544 G HA3 -0.315 3.610 3.960 -0.057 0.000 0.260 544 G C 0.170 174.929 174.900 -0.235 0.000 0.986 544 G CA 0.452 45.219 45.100 -0.554 0.000 0.683 544 G HN 0.902 nan 8.290 nan 0.000 0.527 545 S N 0.055 115.661 115.700 -0.156 0.000 2.439 545 S HA 0.694 5.130 4.470 -0.057 0.000 0.282 545 S C 1.533 176.101 174.600 -0.053 0.000 1.170 545 S CA 0.642 58.803 58.200 -0.066 0.000 1.054 545 S CB 1.054 64.245 63.200 -0.015 0.000 0.956 545 S HN 1.372 nan 8.310 nan 0.000 0.490 546 A N 5.509 128.298 122.820 -0.053 0.000 1.930 546 A HA 0.083 4.369 4.320 -0.057 0.000 0.215 546 A C 2.083 179.647 177.584 -0.034 0.000 1.176 546 A CA 0.830 52.841 52.037 -0.043 0.000 0.632 546 A CB -0.435 18.536 19.000 -0.049 0.000 0.819 546 A HN 0.754 nan 8.150 nan 0.000 0.445 547 R N 0.120 120.594 120.500 -0.043 0.000 2.148 547 R HA 0.032 4.338 4.340 -0.057 0.000 0.227 547 R C 2.045 178.298 176.300 -0.078 0.000 1.103 547 R CA 1.496 57.559 56.100 -0.062 0.000 0.983 547 R CB -0.585 29.676 30.300 -0.064 0.000 0.874 547 R HN 0.450 nan 8.270 nan 0.000 0.451 548 A N -0.754 122.045 122.820 -0.035 0.000 1.840 548 A HA 0.039 4.325 4.320 -0.057 0.000 0.214 548 A C 2.332 179.980 177.584 0.106 0.000 1.198 548 A CA 1.400 53.439 52.037 0.002 0.000 0.608 548 A CB -1.383 17.668 19.000 0.084 0.000 0.839 548 A HN 0.450 nan 8.150 nan 0.000 0.443 549 G N -0.513 108.374 108.800 0.145 0.000 2.462 549 G HA2 -0.003 3.923 3.960 -0.057 0.000 0.220 549 G HA3 -0.003 3.923 3.960 -0.057 0.000 0.220 549 G C 1.648 176.651 174.900 0.172 0.000 1.121 549 G CA 1.549 46.774 45.100 0.207 0.000 0.758 549 G HN 0.790 nan 8.290 nan 0.000 0.559 550 A N 1.290 124.142 122.820 0.054 0.000 1.858 550 A HA 0.249 4.535 4.320 -0.057 0.000 0.216 550 A C 2.859 180.449 177.584 0.010 0.000 1.190 550 A CA 2.323 54.373 52.037 0.021 0.000 0.617 550 A CB -0.927 18.049 19.000 -0.040 0.000 0.827 550 A HN 0.797 nan 8.150 nan 0.000 0.443 551 A N -1.365 121.360 122.820 -0.159 0.000 1.908 551 A HA -0.061 4.224 4.320 -0.057 0.000 0.218 551 A C 1.919 179.386 177.584 -0.196 0.000 1.181 551 A CA 1.623 53.402 52.037 -0.430 0.000 0.627 551 A CB -0.789 17.564 19.000 -1.080 0.000 0.818 551 A HN 0.449 nan 8.150 nan 0.000 0.445 552 F N -0.520 119.426 119.950 -0.007 0.000 2.333 552 F HA -0.132 4.362 4.527 -0.057 0.000 0.300 552 F C 2.286 178.126 175.800 0.067 0.000 1.083 552 F CA 1.419 59.497 58.000 0.129 0.000 1.395 552 F CB -0.294 38.757 39.000 0.085 0.000 1.056 552 F HN 0.533 nan 8.300 nan 0.000 0.529 553 H N -0.233 118.942 119.070 0.175 0.000 2.431 553 H HA -0.016 4.506 4.556 -0.057 0.000 0.295 553 H C 1.679 177.071 175.328 0.107 0.000 1.038 553 H CA 1.051 57.168 56.048 0.116 0.000 1.360 553 H CB 0.005 29.811 29.762 0.073 0.000 1.433 553 H HN 0.121 nan 8.280 nan 0.000 0.536 554 N N 0.842 119.628 118.700 0.143 0.000 2.166 554 N HA -0.153 4.553 4.740 -0.057 0.000 0.186 554 N C 2.215 177.763 175.510 0.064 0.000 1.019 554 N CA 1.251 54.355 53.050 0.090 0.000 0.856 554 N CB -0.259 38.282 38.487 0.089 0.000 0.993 554 N HN 0.469 nan 8.380 nan 0.000 0.426 555 M N 0.514 120.183 119.600 0.115 0.000 2.160 555 M HA 0.015 4.461 4.480 -0.057 0.000 0.264 555 M C 1.816 178.178 176.300 0.103 0.000 1.073 555 M CA 1.018 56.411 55.300 0.155 0.000 1.142 555 M CB 0.077 32.818 32.600 0.236 0.000 1.358 555 M HN -0.028 nan 8.290 nan 0.000 0.422 556 L N 0.193 121.427 121.223 0.018 0.000 2.046 556 L HA -0.166 4.140 4.340 -0.057 0.000 0.208 556 L C 2.726 179.722 176.870 0.209 0.000 1.077 556 L CA 1.638 56.465 54.840 -0.021 0.000 0.747 556 L CB -1.108 40.850 42.059 -0.168 0.000 0.896 556 L HN 0.499 nan 8.230 nan 0.000 0.432 557 S N -0.403 115.315 115.700 0.031 0.000 2.440 557 S HA -0.210 4.226 4.470 -0.057 0.000 0.238 557 S C 1.886 176.589 174.600 0.171 0.000 1.010 557 S CA 1.187 59.452 58.200 0.108 0.000 0.972 557 S CB -0.426 62.676 63.200 -0.164 0.000 0.774 557 S HN 0.367 nan 8.310 nan 0.000 0.501 558 M N 1.394 121.065 119.600 0.120 0.000 2.254 558 M HA 0.140 4.586 4.480 -0.057 0.000 0.265 558 M C 1.416 177.695 176.300 -0.035 0.000 1.066 558 M CA 0.668 55.992 55.300 0.041 0.000 1.123 558 M CB -1.042 31.570 32.600 0.021 0.000 1.388 558 M HN 0.508 nan 8.290 nan 0.000 0.425 559 G N 1.366 110.210 108.800 0.073 0.000 2.186 559 G HA2 -0.077 3.849 3.960 -0.057 0.000 0.229 559 G HA3 -0.077 3.849 3.960 -0.057 0.000 0.229 559 G C 0.840 175.524 174.900 -0.360 0.000 0.553 559 G CA 0.394 45.384 45.100 -0.183 0.000 1.032 559 G HN 0.949 nan 8.290 nan 0.000 0.354 560 A N 0.475 123.105 122.820 -0.315 0.000 3.790 560 A HA -0.242 4.044 4.320 -0.057 0.000 0.269 560 A C 2.571 179.736 177.584 -0.698 0.000 1.009 560 A CA 2.673 54.485 52.037 -0.375 0.000 1.029 560 A CB -2.043 16.783 19.000 -0.290 0.000 1.060 560 A HN 2.541 nan 8.150 nan 0.000 0.818 561 S N -1.509 113.693 115.700 -0.831 0.000 2.500 561 S HA 0.171 4.607 4.470 -0.057 0.000 0.239 561 S C 0.728 174.915 174.600 -0.689 0.000 0.989 561 S CA 1.311 58.749 58.200 -1.269 0.000 0.951 561 S CB 0.078 62.898 63.200 -0.633 0.000 0.759 561 S HN 0.648 nan 8.310 nan 0.000 0.523 562 K N 1.056 121.207 120.400 -0.415 0.000 2.551 562 K HA 0.463 4.748 4.320 -0.057 0.000 0.269 562 K C -3.282 173.210 176.600 -0.180 0.000 0.949 562 K CA -2.102 54.045 56.287 -0.232 0.000 0.849 562 K CB 1.482 33.892 32.500 -0.150 0.000 1.411 562 K HN -0.058 nan 8.250 nan 0.000 0.432 563 P HA -0.052 nan 4.420 nan 0.000 0.267 563 P C 1.214 178.426 177.300 -0.147 0.000 1.201 563 P CA -0.067 62.955 63.100 -0.129 0.000 0.775 563 P CB 0.268 31.878 31.700 -0.151 0.000 0.854 564 W N 2.130 123.325 121.300 -0.176 0.000 2.350 564 W HA -0.071 4.555 4.660 -0.056 0.000 0.289 564 W C -1.730 174.771 176.519 -0.030 0.000 1.215 564 W CA 1.097 58.284 57.345 -0.263 0.000 1.236 564 W CB -3.032 26.185 29.460 -0.405 0.000 1.130 564 W HN 0.294 nan 8.180 nan 0.000 0.541 565 P HA -0.141 nan 4.420 nan 0.000 0.219 565 P C 0.986 178.215 177.300 -0.119 0.000 1.146 565 P CA 2.351 65.118 63.100 -0.554 0.000 0.808 565 P CB -0.119 31.187 31.700 -0.656 0.000 0.779 566 D N -1.115 119.225 120.400 -0.100 0.000 2.194 566 D HA -0.023 4.583 4.640 -0.057 0.000 0.204 566 D C 2.017 178.360 176.300 0.072 0.000 0.964 566 D CA 1.123 55.113 54.000 -0.016 0.000 0.846 566 D CB -0.763 40.007 40.800 -0.051 0.000 0.962 566 D HN 0.035 nan 8.370 nan 0.000 0.490 567 A N 0.620 123.502 122.820 0.102 0.000 1.898 567 A HA -0.094 4.192 4.320 -0.057 0.000 0.216 567 A C 2.092 179.908 177.584 0.388 0.000 1.181 567 A CA 0.896 53.049 52.037 0.194 0.000 0.620 567 A CB -0.693 18.370 19.000 0.106 0.000 0.819 567 A HN 0.248 nan 8.150 nan 0.000 0.442 568 L N 0.229 121.778 121.223 0.544 0.000 2.017 568 L HA -0.129 4.177 4.340 -0.057 0.000 0.208 568 L C 2.246 179.361 176.870 0.407 0.000 1.073 568 L CA 2.702 57.910 54.840 0.614 0.000 0.745 568 L CB -0.628 41.837 42.059 0.677 0.000 0.894 568 L HN 0.594 nan 8.230 nan 0.000 0.432 569 E N -0.651 119.709 120.200 0.265 0.000 2.267 569 E HA -0.222 4.094 4.350 -0.057 0.000 0.197 569 E C 1.894 178.587 176.600 0.156 0.000 0.998 569 E CA 0.937 57.442 56.400 0.174 0.000 0.830 569 E CB -0.091 29.668 29.700 0.098 0.000 0.751 569 E HN 0.646 nan 8.360 nan 0.000 0.491 570 A N -0.204 122.724 122.820 0.180 0.000 2.072 570 A HA -0.022 4.264 4.320 -0.057 0.000 0.216 570 A C 1.706 179.370 177.584 0.134 0.000 1.156 570 A CA 0.335 52.453 52.037 0.134 0.000 0.701 570 A CB -0.404 18.674 19.000 0.131 0.000 0.816 570 A HN 0.449 nan 8.150 nan 0.000 0.458 571 F N 1.705 121.701 119.950 0.076 0.000 2.123 571 F HA -0.015 4.478 4.527 -0.057 0.000 0.289 571 F C 1.451 177.263 175.800 0.020 0.000 1.099 571 F CA 1.749 59.759 58.000 0.018 0.000 1.234 571 F CB 0.151 39.177 39.000 0.043 0.000 1.034 571 F HN 0.434 nan 8.300 nan 0.000 0.479 572 N N -1.212 117.635 118.700 0.245 0.000 2.232 572 N HA 0.241 4.947 4.740 -0.057 0.000 0.240 572 N C 0.749 176.322 175.510 0.106 0.000 1.307 572 N CA 0.473 53.598 53.050 0.124 0.000 0.859 572 N CB 0.670 39.298 38.487 0.234 0.000 1.260 572 N HN 0.376 nan 8.380 nan 0.000 0.501 573 G N -0.438 108.426 108.800 0.107 0.000 2.205 573 G HA2 -0.309 3.617 3.960 -0.057 0.000 0.261 573 G HA3 -0.309 3.617 3.960 -0.057 0.000 0.261 573 G C -0.321 174.634 174.900 0.090 0.000 0.980 573 G CA 0.448 45.596 45.100 0.080 0.000 0.632 573 G HN 0.510 nan 8.290 nan 0.000 0.533 574 E N -0.747 119.528 120.200 0.126 0.000 2.250 574 E HA 0.714 5.029 4.350 -0.057 0.000 0.265 574 E C 0.795 177.473 176.600 0.129 0.000 1.033 574 E CA -0.825 55.646 56.400 0.118 0.000 0.888 574 E CB 0.806 30.583 29.700 0.128 0.000 1.151 574 E HN 0.312 nan 8.360 nan 0.000 0.412 575 R N 0.810 121.369 120.500 0.098 0.000 2.569 575 R HA 0.375 4.680 4.340 -0.057 0.000 0.422 575 R C -0.352 175.980 176.300 0.053 0.000 0.980 575 R CA -0.083 56.050 56.100 0.055 0.000 1.164 575 R CB 0.441 30.731 30.300 -0.016 0.000 1.520 575 R HN 0.371 nan 8.270 nan 0.000 0.567 576 I N 0.993 121.656 120.570 0.155 0.000 2.730 576 I HA 0.360 4.496 4.170 -0.057 0.000 0.298 576 I C -0.510 175.783 176.117 0.294 0.000 1.089 576 I CA -1.172 60.259 61.300 0.219 0.000 1.041 576 I CB 2.497 40.578 38.000 0.135 0.000 1.235 576 I HN -0.021 nan 8.210 nan 0.000 0.423 577 M N 5.635 125.464 119.600 0.382 0.000 2.188 577 M HA 0.488 4.934 4.480 -0.057 0.000 0.357 577 M C -0.595 175.755 176.300 0.084 0.000 1.204 577 M CA 0.289 55.714 55.300 0.208 0.000 1.095 577 M CB 0.767 33.472 32.600 0.175 0.000 1.604 577 M HN 0.754 nan 8.290 nan 0.000 0.464 578 S N 2.592 118.304 115.700 0.020 0.000 2.625 578 S HA 0.644 5.080 4.470 -0.057 0.000 0.271 578 S C 0.245 174.836 174.600 -0.015 0.000 1.161 578 S CA -0.454 57.751 58.200 0.007 0.000 0.820 578 S CB 1.275 64.492 63.200 0.029 0.000 1.137 578 S HN 0.816 nan 8.310 nan 0.000 0.470 579 G N -0.327 108.468 108.800 -0.009 0.000 2.985 579 G HA2 0.092 4.018 3.960 -0.057 0.000 0.209 579 G HA3 0.092 4.018 3.960 -0.057 0.000 0.209 579 G C 0.419 175.313 174.900 -0.010 0.000 1.165 579 G CA -0.243 44.849 45.100 -0.014 0.000 0.776 579 G HN 0.720 nan 8.290 nan 0.000 0.541 580 K N 0.656 121.058 120.400 0.002 0.000 2.243 580 K HA 0.465 4.750 4.320 -0.057 0.000 0.232 580 K C 0.734 177.340 176.600 0.009 0.000 1.237 580 K CA 0.351 56.645 56.287 0.013 0.000 1.161 580 K CB -0.222 32.295 32.500 0.028 0.000 1.505 580 K HN 0.132 nan 8.250 nan 0.000 0.271 581 A N 2.425 125.234 122.820 -0.018 0.000 1.544 581 A HA 0.020 4.306 4.320 -0.057 0.000 0.206 581 A C 0.999 178.465 177.584 -0.197 0.000 1.895 581 A CA -0.085 51.936 52.037 -0.026 0.000 1.585 581 A CB -0.413 18.608 19.000 0.034 0.000 1.485 581 A HN 0.371 nan 8.150 nan 0.000 0.342 582 I N 1.370 121.748 120.570 -0.319 0.000 2.193 582 I HA 0.149 4.285 4.170 -0.057 0.000 0.240 582 I C 2.683 178.774 176.117 -0.043 0.000 1.084 582 I CA 1.792 62.768 61.300 -0.541 0.000 1.365 582 I CB -0.949 36.865 38.000 -0.310 0.000 1.064 582 I HN 0.272 nan 8.210 nan 0.000 0.410 583 A N 0.664 123.489 122.820 0.007 0.000 1.883 583 A HA -0.304 3.981 4.320 -0.057 0.000 0.217 583 A C 2.451 180.071 177.584 0.059 0.000 1.186 583 A CA 2.276 54.355 52.037 0.069 0.000 0.624 583 A CB -0.984 18.035 19.000 0.032 0.000 0.822 583 A HN 0.599 nan 8.150 nan 0.000 0.444 584 E N -1.996 118.217 120.200 0.020 0.000 2.153 584 E HA -0.234 4.082 4.350 -0.057 0.000 0.194 584 E C 1.770 178.359 176.600 -0.018 0.000 0.988 584 E CA 1.332 57.746 56.400 0.023 0.000 0.811 584 E CB -0.304 29.419 29.700 0.039 0.000 0.746 584 E HN 0.746 nan 8.360 nan 0.000 0.466 585 Y N -0.629 119.528 120.300 -0.238 0.000 2.286 585 Y HA -0.065 4.451 4.550 -0.056 0.000 0.293 585 Y C 0.928 176.527 175.900 -0.503 0.000 1.124 585 Y CA 1.304 59.147 58.100 -0.429 0.000 1.178 585 Y CB 0.134 38.162 38.460 -0.721 0.000 1.010 585 Y HN 0.017 nan 8.280 nan 0.000 0.536 586 F N -0.043 119.895 119.950 -0.020 0.000 2.641 586 F HA 0.199 4.692 4.527 -0.057 0.000 0.302 586 F C 1.806 177.595 175.800 -0.019 0.000 1.098 586 F CA -0.037 57.944 58.000 -0.031 0.000 1.318 586 F CB -0.124 38.891 39.000 0.025 0.000 1.035 586 F HN 0.005 nan 8.300 nan 0.000 0.551 587 E N 2.513 122.762 120.200 0.083 0.000 2.038 587 E HA -0.169 4.147 4.350 -0.057 0.000 0.195 587 E C -0.503 176.146 176.600 0.082 0.000 1.000 587 E CA 1.766 58.212 56.400 0.076 0.000 0.803 587 E CB -1.334 28.391 29.700 0.041 0.000 0.750 587 E HN 0.143 nan 8.360 nan 0.000 0.448 588 P HA -0.146 nan 4.420 nan 0.000 0.222 588 P C 1.730 179.114 177.300 0.140 0.000 1.147 588 P CA 0.995 64.136 63.100 0.068 0.000 0.790 588 P CB 0.031 31.735 31.700 0.006 0.000 0.780 589 L N -0.609 120.712 121.223 0.163 0.000 2.049 589 L HA -0.034 4.271 4.340 -0.057 0.000 0.203 589 L C 2.945 179.984 176.870 0.283 0.000 1.074 589 L CA 1.099 56.087 54.840 0.247 0.000 0.749 589 L CB -0.464 41.768 42.059 0.288 0.000 0.907 589 L HN -0.179 nan 8.230 nan 0.000 0.439 590 R N 0.055 120.681 120.500 0.210 0.000 2.119 590 R HA -0.206 4.100 4.340 -0.057 0.000 0.246 590 R C 2.058 178.440 176.300 0.137 0.000 1.146 590 R CA 2.407 58.601 56.100 0.157 0.000 0.962 590 R CB -0.645 29.724 30.300 0.115 0.000 0.863 590 R HN 0.539 nan 8.270 nan 0.000 0.442 591 V N -2.664 117.335 119.914 0.141 0.000 2.453 591 V HA -0.142 3.944 4.120 -0.057 0.000 0.247 591 V C 2.063 178.233 176.094 0.128 0.000 1.048 591 V CA 1.592 63.956 62.300 0.107 0.000 1.049 591 V CB -1.235 30.644 31.823 0.094 0.000 0.672 591 V HN 0.487 nan 8.190 nan 0.000 0.457 592 W N 0.813 122.128 121.300 0.024 0.000 2.374 592 W HA -0.063 4.563 4.660 -0.057 0.000 0.288 592 W C 1.971 178.486 176.519 -0.006 0.000 1.218 592 W CA 2.053 59.409 57.345 0.018 0.000 1.245 592 W CB -0.160 29.320 29.460 0.033 0.000 1.126 592 W HN 0.214 nan 8.180 nan 0.000 0.545 593 L N 0.223 121.490 121.223 0.073 0.000 2.007 593 L HA -0.171 4.135 4.340 -0.057 0.000 0.205 593 L C 2.467 179.225 176.870 -0.186 0.000 1.073 593 L CA 1.841 56.602 54.840 -0.131 0.000 0.744 593 L CB -1.087 41.032 42.059 0.100 0.000 0.898 593 L HN -0.110 nan 8.230 nan 0.000 0.435 594 E N 0.187 120.339 120.200 -0.081 0.000 2.108 594 E HA -0.322 3.993 4.350 -0.057 0.000 0.203 594 E C 2.164 178.683 176.600 -0.135 0.000 1.022 594 E CA 1.814 58.166 56.400 -0.081 0.000 0.823 594 E CB -0.260 29.414 29.700 -0.043 0.000 0.744 594 E HN 0.523 nan 8.360 nan 0.000 0.456 595 A N 0.823 123.537 122.820 -0.177 0.000 1.845 595 A HA -0.269 4.017 4.320 -0.057 0.000 0.215 595 A C 2.145 179.563 177.584 -0.277 0.000 1.195 595 A CA 1.825 53.742 52.037 -0.201 0.000 0.616 595 A CB -0.686 18.192 19.000 -0.203 0.000 0.832 595 A HN 0.229 nan 8.150 nan 0.000 0.443 596 E N 0.481 120.397 120.200 -0.473 0.000 2.130 596 E HA -0.217 4.099 4.350 -0.057 0.000 0.196 596 E C 1.701 178.126 176.600 -0.291 0.000 0.998 596 E CA 1.827 57.921 56.400 -0.510 0.000 0.806 596 E CB -0.241 28.855 29.700 -1.006 0.000 0.738 596 E HN 0.566 nan 8.360 nan 0.000 0.459 597 N N -0.279 118.288 118.700 -0.222 0.000 2.381 597 N HA -0.072 4.634 4.740 -0.057 0.000 0.182 597 N C 1.652 177.058 175.510 -0.172 0.000 1.025 597 N CA 0.914 53.871 53.050 -0.155 0.000 0.888 597 N CB -0.021 38.424 38.487 -0.071 0.000 0.965 597 N HN 0.333 nan 8.380 nan 0.000 0.438 598 I N 0.620 121.097 120.570 -0.154 0.000 2.584 598 I HA -0.125 4.011 4.170 -0.057 0.000 0.255 598 I C 2.335 178.375 176.117 -0.129 0.000 1.145 598 I CA 0.549 61.774 61.300 -0.124 0.000 1.462 598 I CB -0.013 37.927 38.000 -0.101 0.000 1.102 598 I HN 0.057 nan 8.210 nan 0.000 0.433 599 K N 1.051 121.362 120.400 -0.149 0.000 2.097 599 K HA -0.149 4.137 4.320 -0.057 0.000 0.205 599 K C 1.409 177.929 176.600 -0.134 0.000 1.050 599 K CA 1.402 57.614 56.287 -0.126 0.000 0.938 599 K CB 0.072 32.491 32.500 -0.134 0.000 0.718 599 K HN 0.274 nan 8.250 nan 0.000 0.442 600 N N 1.031 119.599 118.700 -0.220 0.000 2.236 600 N HA -0.040 4.666 4.740 -0.057 0.000 0.196 600 N C -0.708 174.600 175.510 -0.336 0.000 1.114 600 N CA 0.167 53.027 53.050 -0.317 0.000 0.859 600 N CB 0.087 38.170 38.487 -0.673 0.000 0.982 600 N HN 0.297 nan 8.380 nan 0.000 0.493 601 N N 0.462 119.023 118.700 -0.232 0.000 2.699 601 N HA -0.163 4.543 4.740 -0.057 0.000 0.257 601 N C -1.311 174.082 175.510 -0.195 0.000 1.077 601 N CA -0.230 52.728 53.050 -0.152 0.000 0.702 601 N CB -0.573 37.867 38.487 -0.079 0.000 0.886 601 N HN -0.156 nan 8.380 nan 0.000 0.549 602 V N 2.437 122.207 119.914 -0.240 0.000 2.407 602 V HA 0.140 4.226 4.120 -0.057 0.000 0.278 602 V C 0.758 176.848 176.094 -0.008 0.000 1.037 602 V CA -0.584 61.598 62.300 -0.195 0.000 0.900 602 V CB 1.342 33.009 31.823 -0.259 0.000 0.983 602 V HN 0.335 nan 8.190 nan 0.000 0.459 603 H N 5.897 124.969 119.070 0.003 0.000 2.848 603 H HA 0.242 4.764 4.556 -0.057 0.000 0.317 603 H C -0.890 174.493 175.328 0.093 0.000 1.046 603 H CA -0.164 55.911 56.048 0.046 0.000 1.470 603 H CB 0.820 30.626 29.762 0.074 0.000 1.483 603 H HN 0.343 nan 8.280 nan 0.000 0.548 604 I N 3.794 124.147 120.570 -0.362 0.000 2.441 604 I HA 0.311 4.447 4.170 -0.057 0.000 0.295 604 I C 1.070 177.005 176.117 -0.304 0.000 0.994 604 I CA 0.193 61.391 61.300 -0.171 0.000 1.144 604 I CB 0.902 38.820 38.000 -0.137 0.000 1.314 604 I HN 0.918 nan 8.210 nan 0.000 0.445 605 G N 5.711 114.445 108.800 -0.110 0.000 2.746 605 G HA2 -0.081 3.845 3.960 -0.057 0.000 0.685 605 G HA3 -0.081 3.845 3.960 -0.057 0.000 0.685 605 G C -1.448 173.383 174.900 -0.115 0.000 1.350 605 G CA -0.679 44.175 45.100 -0.411 0.000 0.837 605 G HN 0.753 nan 8.290 nan 0.000 0.564 606 W N -0.896 120.446 121.300 0.071 0.000 3.137 606 W HA 0.642 5.268 4.660 -0.056 0.000 0.324 606 W C -0.846 175.719 176.519 0.077 0.000 1.253 606 W CA -1.652 55.768 57.345 0.126 0.000 1.183 606 W CB 0.980 30.494 29.460 0.089 0.000 1.424 606 W HN 0.823 nan 8.180 nan 0.000 0.566 607 I N 2.400 123.139 120.570 0.282 0.000 2.532 607 I HA 0.338 4.474 4.170 -0.057 0.000 0.292 607 I C 1.059 177.306 176.117 0.217 0.000 1.014 607 I CA 0.016 61.415 61.300 0.166 0.000 1.340 607 I CB 1.370 39.432 38.000 0.104 0.000 1.422 607 I HN 0.471 nan 8.210 nan 0.000 0.528 608 T N 3.194 117.842 114.554 0.157 0.000 2.854 608 T HA 0.089 4.405 4.350 -0.057 0.000 0.336 608 T C 0.400 175.174 174.700 0.124 0.000 1.095 608 T CA -0.154 62.044 62.100 0.163 0.000 1.118 608 T CB 0.109 69.044 68.868 0.111 0.000 1.025 608 T HN 0.752 nan 8.240 nan 0.000 0.549 609 S N 0.880 116.646 115.700 0.109 0.000 2.601 609 S HA 0.262 4.698 4.470 -0.057 0.000 0.271 609 S C 0.517 175.129 174.600 0.020 0.000 1.305 609 S CA -0.782 57.445 58.200 0.045 0.000 1.022 609 S CB -0.019 63.193 63.200 0.020 0.000 0.940 609 S HN 0.799 nan 8.310 nan 0.000 0.525 610 N N 1.544 120.231 118.700 -0.020 0.000 2.338 610 N HA 0.209 4.915 4.740 -0.057 0.000 0.251 610 N C 0.234 175.704 175.510 -0.067 0.000 1.199 610 N CA -0.360 52.673 53.050 -0.029 0.000 0.879 610 N CB 0.398 38.866 38.487 -0.033 0.000 1.159 610 N HN 0.373 nan 8.380 nan 0.000 0.514 611 K N 0.320 120.660 120.400 -0.100 0.000 2.374 611 K HA 0.143 4.429 4.320 -0.057 0.000 0.196 611 K C 0.276 176.792 176.600 -0.141 0.000 1.023 611 K CA 0.059 56.242 56.287 -0.174 0.000 1.103 611 K CB 0.083 32.398 32.500 -0.309 0.000 0.848 611 K HN 0.211 nan 8.250 nan 0.000 0.528 612 c N 1.337 119.914 118.600 -0.039 0.000 2.271 612 c HA 0.668 5.204 4.570 -0.057 0.000 0.323 612 c C 0.856 174.983 174.090 0.062 0.000 1.245 612 c CA -0.635 55.723 56.329 0.048 0.000 1.548 612 c CB -0.772 41.830 42.510 0.154 0.000 2.214 612 c HN 0.219 nan 8.230 nan 0.000 0.477 613 V N 3.102 123.053 119.914 0.062 0.000 6.802 613 V HA 0.871 4.957 4.120 -0.057 0.000 0.292 613 V C -0.298 175.846 176.094 0.084 0.000 1.681 613 V CA -0.301 62.037 62.300 0.063 0.000 0.630 613 V CB 0.935 32.777 31.823 0.032 0.000 1.595 613 V HN 0.804 nan 8.190 nan 0.000 0.370 614 S N -0.455 115.289 115.700 0.073 0.000 2.590 614 S HA 0.659 5.095 4.470 -0.057 0.000 0.286 614 S C -0.522 174.123 174.600 0.075 0.000 1.147 614 S CA 0.438 58.687 58.200 0.081 0.000 0.963 614 S CB 0.895 64.145 63.200 0.083 0.000 1.124 614 S HN 1.571 nan 8.310 nan 0.000 0.458 615 S N 1.618 117.366 115.700 0.080 0.000 3.583 615 S HA -0.181 4.255 4.470 -0.057 0.000 0.629 615 S C -0.565 174.054 174.600 0.030 0.000 2.549 615 S CA 1.279 59.531 58.200 0.087 0.000 3.665 615 S CB -0.833 62.425 63.200 0.098 0.000 0.265 615 S HN 1.654 nan 8.310 nan 0.000 1.206 616 H N 1.900 120.923 119.070 -0.078 0.000 4.019 616 H HA -0.058 4.464 4.556 -0.057 0.000 0.361 616 H C -0.957 174.059 175.328 -0.520 0.000 0.961 616 H CA 1.082 57.001 56.048 -0.214 0.000 1.100 616 H CB -1.528 28.112 29.762 -0.204 0.000 1.332 616 H HN 0.596 nan 8.280 nan 0.000 0.364 617 H N 3.903 122.767 119.070 -0.343 0.000 2.865 617 H HA 0.265 4.786 4.556 -0.057 0.000 0.372 617 H C 0.417 175.442 175.328 -0.504 0.000 1.173 617 H CA -0.684 55.088 56.048 -0.461 0.000 1.147 617 H CB 1.501 30.797 29.762 -0.777 0.000 1.805 617 H HN 0.526 nan 8.280 nan 0.000 0.553 618 H N 0.864 119.936 119.070 0.002 0.000 2.472 618 H HA 0.116 4.638 4.556 -0.057 0.000 0.287 618 H C -0.358 175.072 175.328 0.171 0.000 1.112 618 H CA -0.146 55.959 56.048 0.094 0.000 1.021 618 H CB -0.250 29.596 29.762 0.139 0.000 1.635 618 H HN 0.545 nan 8.280 nan 0.000 0.559 619 H N -0.313 118.886 119.070 0.214 0.000 2.661 619 H HA 0.297 4.819 4.556 -0.057 0.000 0.290 619 H C 0.197 175.613 175.328 0.147 0.000 1.082 619 H CA -0.518 55.623 56.048 0.155 0.000 1.234 619 H CB 1.241 31.059 29.762 0.093 0.000 1.387 619 H HN 0.239 nan 8.280 nan 0.000 0.476 620 H N 0.000 119.153 119.070 0.139 0.000 2.539 620 H HA 0.000 4.522 4.556 -0.057 0.000 0.296 620 H CA 0.000 56.094 56.048 0.076 0.000 1.023 620 H CB 0.000 29.799 29.762 0.062 0.000 1.292 620 H HN 0.000 nan 8.280 nan 0.000 0.496