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 2rgm_1_B DATA FIRST_RESID 6 DATA SEQUENCE WLGGLSRAAF PKRFVFGTVT SAYQVEGMAA SGGRGPSIWD AFAHTPGNVA DATA SEQUENCE GNQNGDVATD QYHRYKEDVN LMKSLNFDAY RFSISWSRIF PDGEGRVNQE DATA SEQUENCE GVAYYNNLIN YLLQKGITPY VNLYHYDLPL ALEKKYGGWL NAKMADLFTE DATA SEQUENCE YADFCFKTFG NRVKHWFTFN EPRIVALLGY DQGTNPPKRC TKCAAGGNSA DATA SEQUENCE TEPYIVAHNF LLSHAAAVAR YRTKYQAAQQ GKVGIVLDFN WYEALSNSTE DATA SEQUENCE DQAAAQRARD FHIGWYLDPL INGHYPQIMQ DLVKDRLPKF TPEQARLVKG DATA SEQUENCE SADYIGINQY TASYMKGQQL MQQTPTSYSA DWQVTYVFAK NGKPIGPQAN DATA SEQUENCE SNWLYIVPWG MYGCVNYIKQ KYGNPTVVIT ENGMDQPANL SRDQYLRDTT DATA SEQUENCE RVHFYRSYLT QLKKAIDEGA NVAGYFAWSL LDNFEWLSGY TSKFGIVYVD DATA SEQUENCE FNTLERHPKA SAYWFRDMLK H 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 6 W HA 0.000 nan 4.660 nan 0.000 0.303 6 W C 0.000 176.763 176.519 0.407 0.000 1.175 6 W CA 0.000 57.495 57.345 0.250 0.000 1.226 6 W CB 0.000 29.549 29.460 0.148 0.000 1.126 7 L N 2.237 123.557 121.223 0.162 0.000 2.341 7 L HA 0.210 4.623 4.340 0.122 0.000 0.214 7 L C 1.617 178.553 176.870 0.111 0.000 1.115 7 L CA 1.373 56.167 54.840 -0.078 0.000 0.820 7 L CB -0.925 40.955 42.059 -0.298 0.000 0.944 7 L HN 0.592 nan 8.230 nan 0.000 0.452 8 G N 0.483 109.365 108.800 0.137 0.000 2.305 8 G HA2 -0.215 3.818 3.960 0.122 0.000 0.287 8 G HA3 -0.215 3.818 3.960 0.122 0.000 0.287 8 G C 1.000 175.935 174.900 0.057 0.000 1.036 8 G CA 0.497 45.664 45.100 0.111 0.000 0.887 8 G HN 0.687 nan 8.290 nan 0.000 0.505 9 G N -2.050 106.764 108.800 0.023 0.000 2.184 9 G HA2 -0.248 3.786 3.960 0.122 0.000 0.264 9 G HA3 -0.248 3.786 3.960 0.122 0.000 0.264 9 G C 0.501 175.378 174.900 -0.038 0.000 0.975 9 G CA 0.646 45.739 45.100 -0.012 0.000 0.642 9 G HN 1.365 nan 8.290 nan 0.000 0.536 10 L N 1.121 122.323 121.223 -0.035 0.000 2.350 10 L HA 0.675 5.088 4.340 0.122 0.000 0.275 10 L C 0.854 177.648 176.870 -0.127 0.000 1.099 10 L CA 0.304 55.122 54.840 -0.036 0.000 0.808 10 L CB 1.582 43.675 42.059 0.057 0.000 1.149 10 L HN 0.658 nan 8.230 nan 0.000 0.442 11 S N 1.286 116.955 115.700 -0.053 0.000 2.656 11 S HA 0.341 4.884 4.470 0.122 0.000 0.265 11 S C 0.364 174.991 174.600 0.044 0.000 1.132 11 S CA -1.051 57.086 58.200 -0.106 0.000 0.819 11 S CB 1.273 64.414 63.200 -0.098 0.000 1.119 11 S HN 0.535 nan 8.310 nan 0.000 0.476 12 R N 0.472 120.964 120.500 -0.013 0.000 2.105 12 R HA -0.069 4.344 4.340 0.122 0.000 0.239 12 R C 2.379 178.781 176.300 0.169 0.000 1.135 12 R CA 1.645 57.815 56.100 0.117 0.000 0.967 12 R CB -1.206 29.112 30.300 0.030 0.000 0.861 12 R HN 0.833 nan 8.270 nan 0.000 0.442 13 A N 1.027 123.892 122.820 0.075 0.000 2.070 13 A HA -0.005 4.388 4.320 0.122 0.000 0.220 13 A C 2.164 179.757 177.584 0.014 0.000 1.159 13 A CA 1.440 53.506 52.037 0.048 0.000 0.656 13 A CB -0.243 18.765 19.000 0.012 0.000 0.800 13 A HN 0.353 nan 8.150 nan 0.000 0.453 14 A N -1.775 121.043 122.820 -0.003 0.000 2.208 14 A HA 0.478 4.871 4.320 0.122 0.000 0.209 14 A C 0.350 177.654 177.584 -0.466 0.000 1.161 14 A CA 0.168 52.080 52.037 -0.208 0.000 0.782 14 A CB -0.210 18.633 19.000 -0.262 0.000 0.816 14 A HN 0.343 nan 8.150 nan 0.000 0.477 15 F N -1.075 118.833 119.950 -0.070 0.000 2.598 15 F HA 0.528 5.130 4.527 0.125 0.000 0.327 15 F C -2.309 173.452 175.800 -0.064 0.000 1.057 15 F CA -2.673 55.216 58.000 -0.185 0.000 0.957 15 F CB 0.987 39.771 39.000 -0.360 0.000 1.278 15 F HN -0.198 nan 8.300 nan 0.000 0.484 16 P HA 0.047 nan 4.420 nan 0.000 0.269 16 P C -1.186 176.254 177.300 0.233 0.000 1.217 16 P CA -0.400 62.804 63.100 0.174 0.000 0.783 16 P CB 0.357 32.187 31.700 0.216 0.000 0.898 17 K N 2.923 123.426 120.400 0.173 0.000 2.489 17 K HA 0.081 4.475 4.320 0.122 0.000 0.278 17 K C 0.788 177.500 176.600 0.187 0.000 1.000 17 K CA 0.373 56.758 56.287 0.164 0.000 1.012 17 K CB -0.115 32.456 32.500 0.117 0.000 0.903 17 K HN 0.309 nan 8.250 nan 0.000 0.485 18 R N 0.071 120.683 120.500 0.186 0.000 3.840 18 R HA -0.199 4.214 4.340 0.122 0.000 0.464 18 R C -0.229 176.167 176.300 0.161 0.000 0.986 18 R CA 0.444 56.639 56.100 0.157 0.000 1.305 18 R CB -2.878 27.496 30.300 0.123 0.000 1.950 18 R HN 0.646 nan 8.270 nan 0.000 0.526 19 F N 1.295 121.282 119.950 0.061 0.000 2.578 19 F HA 0.183 4.783 4.527 0.122 0.000 0.376 19 F C 0.785 176.507 175.800 -0.130 0.000 1.085 19 F CA 0.080 58.056 58.000 -0.040 0.000 1.260 19 F CB 0.688 39.669 39.000 -0.031 0.000 1.095 19 F HN -0.180 nan 8.300 nan 0.000 0.573 20 V N 7.552 127.014 119.914 -0.754 0.000 2.407 20 V HA 0.237 4.430 4.120 0.122 0.000 0.278 20 V C -0.462 175.139 176.094 -0.823 0.000 1.037 20 V CA -0.479 61.486 62.300 -0.558 0.000 0.900 20 V CB 0.826 32.348 31.823 -0.502 0.000 0.983 20 V HN 0.505 nan 8.190 nan 0.000 0.459 21 F N 2.986 122.752 119.950 -0.307 0.000 2.458 21 F HA 0.823 5.422 4.527 0.119 0.000 0.336 21 F C 0.729 176.352 175.800 -0.294 0.000 1.114 21 F CA -0.173 57.681 58.000 -0.243 0.000 0.987 21 F CB 2.164 41.154 39.000 -0.017 0.000 1.130 21 F HN 0.618 nan 8.300 nan 0.000 0.458 22 G N 0.532 109.050 108.800 -0.471 0.000 2.788 22 G HA2 0.648 4.682 3.960 0.122 0.000 0.293 22 G HA3 0.648 4.682 3.960 0.122 0.000 0.293 22 G C -1.231 173.353 174.900 -0.525 0.000 1.392 22 G CA -0.750 44.050 45.100 -0.500 0.000 0.810 22 G HN 0.610 nan 8.290 nan 0.000 0.508 23 T N -3.008 111.304 114.554 -0.403 0.000 2.930 23 T HA 0.757 5.181 4.350 0.122 0.000 0.290 23 T C -1.052 173.691 174.700 0.072 0.000 1.052 23 T CA -0.923 60.979 62.100 -0.330 0.000 1.017 23 T CB 1.829 70.336 68.868 -0.601 0.000 1.137 23 T HN 1.436 nan 8.240 nan 0.000 0.511 24 V N 1.472 121.350 119.914 -0.060 0.000 2.841 24 V HA 0.853 5.047 4.120 0.122 0.000 0.310 24 V C -0.459 175.414 176.094 -0.369 0.000 1.090 24 V CA 0.161 62.398 62.300 -0.105 0.000 0.930 24 V CB 1.953 33.809 31.823 0.056 0.000 1.014 24 V HN 1.552 nan 8.190 nan 0.000 0.425 25 T N 2.094 116.476 114.554 -0.287 0.000 2.804 25 T HA 0.844 5.268 4.350 0.122 0.000 0.290 25 T C -0.303 174.398 174.700 0.002 0.000 1.099 25 T CA -0.108 61.797 62.100 -0.324 0.000 1.011 25 T CB 1.729 70.528 68.868 -0.116 0.000 1.291 25 T HN 1.521 nan 8.240 nan 0.000 0.523 26 S N -0.765 114.950 115.700 0.026 0.000 2.595 26 S HA 0.746 5.290 4.470 0.122 0.000 0.281 26 S C 1.391 176.015 174.600 0.039 0.000 1.117 26 S CA -0.361 57.774 58.200 -0.108 0.000 0.873 26 S CB 1.283 64.014 63.200 -0.782 0.000 1.108 26 S HN 1.346 nan 8.310 nan 0.000 0.477 27 A N 1.125 124.031 122.820 0.143 0.000 1.851 27 A HA -0.042 4.351 4.320 0.122 0.000 0.216 27 A C 1.878 179.581 177.584 0.198 0.000 1.195 27 A CA 1.889 54.078 52.037 0.254 0.000 0.622 27 A CB -1.627 17.595 19.000 0.370 0.000 0.831 27 A HN 1.094 nan 8.150 nan 0.000 0.444 28 Y N 0.646 121.005 120.300 0.097 0.000 2.352 28 Y HA -0.170 4.532 4.550 0.254 0.000 0.292 28 Y C 2.461 178.300 175.900 -0.103 0.000 1.136 28 Y CA 2.056 60.178 58.100 0.036 0.000 1.227 28 Y CB -0.221 38.321 38.460 0.137 0.000 0.991 28 Y HN 0.471 nan 8.280 nan 0.000 0.545 29 Q N -1.171 118.554 119.800 -0.125 0.000 2.311 29 Q HA -0.047 4.367 4.340 0.122 0.000 0.203 29 Q C 1.872 177.826 176.000 -0.077 0.000 0.954 29 Q CA 1.628 57.312 55.803 -0.198 0.000 0.885 29 Q CB 0.209 28.828 28.738 -0.199 0.000 0.963 29 Q HN 0.539 nan 8.270 nan 0.000 0.471 30 V N -4.688 115.205 119.914 -0.036 0.000 3.480 30 V HA 0.137 4.330 4.120 0.122 0.000 0.263 30 V C 1.443 177.544 176.094 0.011 0.000 1.442 30 V CA 0.050 62.360 62.300 0.017 0.000 1.053 30 V CB 0.180 32.028 31.823 0.041 0.000 0.846 30 V HN 0.027 nan 8.190 nan 0.000 0.440 31 E N 1.905 122.106 120.200 0.003 0.000 2.072 31 E HA 0.279 4.703 4.350 0.122 0.000 0.191 31 E C 1.574 178.124 176.600 -0.084 0.000 0.985 31 E CA 1.116 57.518 56.400 0.003 0.000 0.801 31 E CB -0.312 29.408 29.700 0.034 0.000 0.750 31 E HN 0.881 nan 8.360 nan 0.000 0.452 32 G N 1.196 109.906 108.800 -0.150 0.000 2.601 32 G HA2 -0.335 3.699 3.960 0.122 0.000 0.252 32 G HA3 -0.335 3.699 3.960 0.122 0.000 0.252 32 G C 0.225 174.965 174.900 -0.266 0.000 1.294 32 G CA -0.088 44.896 45.100 -0.193 0.000 0.912 32 G HN 0.181 nan 8.290 nan 0.000 0.574 33 M N -1.800 117.611 119.600 -0.316 0.000 2.253 33 M HA -0.268 4.285 4.480 0.122 0.000 0.199 33 M C 1.853 177.980 176.300 -0.289 0.000 0.342 33 M CA 1.503 56.543 55.300 -0.433 0.000 0.417 33 M CB -2.547 29.472 32.600 -0.969 0.000 1.338 33 M HN 2.036 nan 8.290 nan 0.000 0.920 34 A N -0.335 122.403 122.820 -0.137 0.000 1.930 34 A HA 0.249 4.642 4.320 0.122 0.000 0.217 34 A C 1.721 179.307 177.584 0.004 0.000 1.175 34 A CA 1.886 53.922 52.037 -0.002 0.000 0.627 34 A CB -0.019 19.048 19.000 0.111 0.000 0.815 34 A HN 0.989 nan 8.150 nan 0.000 0.443 35 A N -0.850 121.950 122.820 -0.035 0.000 2.701 35 A HA 0.637 5.030 4.320 0.122 0.000 0.297 35 A C 0.266 177.811 177.584 -0.065 0.000 1.197 35 A CA 0.113 52.131 52.037 -0.032 0.000 0.963 35 A CB 0.089 19.074 19.000 -0.025 0.000 1.175 35 A HN 0.231 nan 8.150 nan 0.000 0.531 36 S N -2.064 113.562 115.700 -0.123 0.000 2.697 36 S HA 0.661 5.204 4.470 0.122 0.000 0.289 36 S C 0.915 175.392 174.600 -0.205 0.000 1.149 36 S CA 0.030 58.140 58.200 -0.150 0.000 0.850 36 S CB 1.455 64.547 63.200 -0.181 0.000 1.151 36 S HN 1.579 nan 8.310 nan 0.000 0.491 37 G N -0.027 108.681 108.800 -0.154 0.000 2.187 37 G HA2 0.013 4.046 3.960 0.122 0.000 0.261 37 G HA3 0.013 4.046 3.960 0.122 0.000 0.261 37 G C 1.107 175.995 174.900 -0.019 0.000 1.000 37 G CA 0.875 45.915 45.100 -0.100 0.000 0.718 37 G HN 2.104 nan 8.290 nan 0.000 0.519 38 G N -1.178 107.611 108.800 -0.018 0.000 2.176 38 G HA2 -0.267 3.766 3.960 0.122 0.000 0.253 38 G HA3 -0.267 3.766 3.960 0.122 0.000 0.253 38 G C 0.448 175.363 174.900 0.024 0.000 0.979 38 G CA 1.153 46.261 45.100 0.014 0.000 0.641 38 G HN 1.406 nan 8.290 nan 0.000 0.530 39 R N 1.040 121.546 120.500 0.009 0.000 2.489 39 R HA 0.461 4.874 4.340 0.122 0.000 0.287 39 R C 1.102 177.429 176.300 0.045 0.000 1.053 39 R CA 0.582 56.711 56.100 0.048 0.000 1.036 39 R CB 0.019 30.341 30.300 0.036 0.000 0.966 39 R HN 0.357 nan 8.270 nan 0.000 0.432 40 G N 4.440 113.279 108.800 0.066 0.000 2.504 40 G HA2 0.349 4.382 3.960 0.122 0.000 0.288 40 G HA3 0.349 4.382 3.960 0.122 0.000 0.288 40 G C -2.395 172.540 174.900 0.058 0.000 1.182 40 G CA -1.337 43.791 45.100 0.047 0.000 0.894 40 G HN 0.551 nan 8.290 nan 0.000 0.521 41 P HA 0.158 nan 4.420 nan 0.000 0.275 41 P C 0.118 177.449 177.300 0.050 0.000 1.228 41 P CA -0.147 62.983 63.100 0.051 0.000 0.786 41 P CB 1.445 33.157 31.700 0.021 0.000 0.927 42 S N 2.002 117.750 115.700 0.079 0.000 2.730 42 S HA 0.303 4.846 4.470 0.122 0.000 0.284 42 S C 1.653 176.292 174.600 0.065 0.000 1.153 42 S CA -0.760 57.485 58.200 0.074 0.000 0.995 42 S CB 0.264 63.534 63.200 0.116 0.000 1.058 42 S HN 0.497 nan 8.310 nan 0.000 0.552 43 I N -2.803 117.807 120.570 0.068 0.000 2.454 43 I HA -0.008 4.235 4.170 0.122 0.000 0.254 43 I C 1.762 177.872 176.117 -0.012 0.000 1.156 43 I CA 1.072 62.384 61.300 0.020 0.000 1.433 43 I CB -0.405 37.598 38.000 0.006 0.000 1.082 43 I HN 0.639 nan 8.210 nan 0.000 0.432 44 W N 2.247 123.512 121.300 -0.058 0.000 2.476 44 W HA -0.052 4.715 4.660 0.177 0.000 0.281 44 W C 1.980 178.466 176.519 -0.055 0.000 1.230 44 W CA 1.387 58.675 57.345 -0.095 0.000 1.287 44 W CB -0.116 29.197 29.460 -0.245 0.000 1.108 44 W HN 0.183 nan 8.180 nan 0.000 0.567 45 D N -0.149 120.327 120.400 0.127 0.000 2.097 45 D HA -0.215 4.498 4.640 0.122 0.000 0.195 45 D C 2.272 178.760 176.300 0.314 0.000 0.989 45 D CA 2.074 56.246 54.000 0.287 0.000 0.827 45 D CB -0.636 40.291 40.800 0.212 0.000 0.966 45 D HN 0.071 nan 8.370 nan 0.000 0.456 46 A N 0.096 123.017 122.820 0.169 0.000 1.902 46 A HA -0.154 4.239 4.320 0.122 0.000 0.217 46 A C 2.034 179.702 177.584 0.139 0.000 1.181 46 A CA 1.012 53.121 52.037 0.121 0.000 0.623 46 A CB -1.042 17.989 19.000 0.051 0.000 0.818 46 A HN 0.307 nan 8.150 nan 0.000 0.443 47 F N 0.882 120.790 119.950 -0.070 0.000 2.102 47 F HA -0.083 4.512 4.527 0.113 0.000 0.298 47 F C 2.496 178.285 175.800 -0.018 0.000 1.105 47 F CA 1.579 59.473 58.000 -0.177 0.000 1.239 47 F CB -0.250 38.413 39.000 -0.562 0.000 0.991 47 F HN 0.235 nan 8.300 nan 0.000 0.474 48 A N -1.195 121.869 122.820 0.406 0.000 2.067 48 A HA -0.170 4.223 4.320 0.122 0.000 0.219 48 A C 1.848 179.497 177.584 0.108 0.000 1.158 48 A CA 1.370 53.649 52.037 0.402 0.000 0.661 48 A CB -1.121 18.263 19.000 0.641 0.000 0.801 48 A HN 0.620 nan 8.150 nan 0.000 0.452 49 H N -0.302 118.840 119.070 0.121 0.000 2.547 49 H HA 0.038 4.668 4.556 0.123 0.000 0.266 49 H C -0.119 175.207 175.328 -0.003 0.000 0.988 49 H CA 0.823 56.909 56.048 0.064 0.000 1.147 49 H CB 0.072 29.873 29.762 0.065 0.000 1.365 49 H HN 0.287 nan 8.280 nan 0.000 0.589 50 T N 3.995 118.550 114.554 0.001 0.000 2.761 50 T HA 0.155 4.579 4.350 0.122 0.000 0.296 50 T C -2.300 172.340 174.700 -0.099 0.000 0.934 50 T CA -1.311 60.740 62.100 -0.082 0.000 1.091 50 T CB 1.411 70.159 68.868 -0.200 0.000 0.896 50 T HN 0.095 nan 8.240 nan 0.000 0.515 51 P HA 0.199 nan 4.420 nan 0.000 0.264 51 P C 1.111 178.368 177.300 -0.071 0.000 1.183 51 P CA 0.824 63.898 63.100 -0.043 0.000 0.763 51 P CB 0.326 32.013 31.700 -0.022 0.000 0.807 52 G N 2.992 111.762 108.800 -0.051 0.000 2.241 52 G HA2 -0.292 3.741 3.960 0.122 0.000 0.244 52 G HA3 -0.292 3.741 3.960 0.122 0.000 0.244 52 G C 1.285 176.139 174.900 -0.077 0.000 0.998 52 G CA 0.152 45.222 45.100 -0.051 0.000 0.621 52 G HN 0.465 nan 8.290 nan 0.000 0.519 53 N N -0.070 118.533 118.700 -0.161 0.000 2.270 53 N HA 0.167 4.980 4.740 0.122 0.000 0.181 53 N C 0.814 176.329 175.510 0.009 0.000 1.016 53 N CA 1.476 54.356 53.050 -0.283 0.000 0.870 53 N CB 0.182 38.133 38.487 -0.894 0.000 0.979 53 N HN 0.460 nan 8.380 nan 0.000 0.431 54 V N 0.402 120.375 119.914 0.098 0.000 2.769 54 V HA 0.596 4.790 4.120 0.122 0.000 0.312 54 V C -0.193 175.980 176.094 0.133 0.000 1.061 54 V CA -1.673 60.761 62.300 0.223 0.000 0.931 54 V CB 1.622 33.680 31.823 0.391 0.000 1.010 54 V HN 0.152 nan 8.190 nan 0.000 0.433 55 A N 2.600 125.483 122.820 0.105 0.000 2.580 55 A HA 0.428 4.822 4.320 0.122 0.000 0.244 55 A C 1.554 179.188 177.584 0.085 0.000 1.045 55 A CA 0.916 52.994 52.037 0.070 0.000 0.761 55 A CB -0.846 18.177 19.000 0.038 0.000 0.962 55 A HN 2.399 nan 8.150 nan 0.000 0.512 56 G N 2.412 111.254 108.800 0.071 0.000 2.166 56 G HA2 -0.297 3.737 3.960 0.122 0.000 0.260 56 G HA3 -0.297 3.737 3.960 0.122 0.000 0.260 56 G C 0.434 175.382 174.900 0.079 0.000 0.986 56 G CA 0.688 45.832 45.100 0.074 0.000 0.683 56 G HN 1.670 nan 8.290 nan 0.000 0.527 57 N N -1.210 117.536 118.700 0.077 0.000 2.725 57 N HA -0.148 4.666 4.740 0.122 0.000 0.249 57 N C 0.629 176.193 175.510 0.090 0.000 1.103 57 N CA 1.837 54.927 53.050 0.066 0.000 0.707 57 N CB -0.567 37.941 38.487 0.035 0.000 1.043 57 N HN 0.765 nan 8.380 nan 0.000 0.553 58 Q N 0.709 120.610 119.800 0.168 0.000 2.317 58 Q HA 0.422 4.835 4.340 0.122 0.000 0.229 58 Q C 1.062 177.229 176.000 0.279 0.000 0.984 58 Q CA -0.037 55.913 55.803 0.243 0.000 0.911 58 Q CB 1.215 30.179 28.738 0.376 0.000 1.217 58 Q HN 0.660 nan 8.270 nan 0.000 0.501 59 N N -2.766 116.016 118.700 0.137 0.000 3.039 59 N HA 0.338 5.152 4.740 0.122 0.000 0.257 59 N C -0.190 174.960 175.510 -0.600 0.000 1.497 59 N CA -0.689 52.233 53.050 -0.214 0.000 0.861 59 N CB 0.717 39.058 38.487 -0.244 0.000 1.479 59 N HN 0.487 nan 8.380 nan 0.000 0.547 60 G N -0.646 107.619 108.800 -0.893 0.000 3.383 60 G HA2 0.034 4.068 3.960 0.122 0.000 0.251 60 G HA3 0.034 4.068 3.960 0.122 0.000 0.251 60 G C 0.198 174.783 174.900 -0.525 0.000 1.203 60 G CA -0.064 44.371 45.100 -1.109 0.000 0.852 60 G HN 0.540 nan 8.290 nan 0.000 0.531 61 D N 0.378 120.660 120.400 -0.198 0.000 2.133 61 D HA -0.123 4.591 4.640 0.122 0.000 0.195 61 D C 2.408 178.642 176.300 -0.110 0.000 0.997 61 D CA 1.065 55.030 54.000 -0.058 0.000 0.840 61 D CB 0.256 41.085 40.800 0.048 0.000 0.947 61 D HN 0.278 nan 8.370 nan 0.000 0.452 62 V N -0.430 119.420 119.914 -0.106 0.000 3.151 62 V HA 0.308 4.501 4.120 0.122 0.000 0.241 62 V C 1.368 177.421 176.094 -0.070 0.000 1.173 62 V CA 0.660 62.909 62.300 -0.084 0.000 1.154 62 V CB -0.000 31.791 31.823 -0.052 0.000 0.898 62 V HN 0.330 nan 8.190 nan 0.000 0.473 63 A N 1.494 124.291 122.820 -0.038 0.000 5.395 63 A HA -0.440 3.953 4.320 0.122 0.000 0.324 63 A C 1.758 179.465 177.584 0.205 0.000 1.813 63 A CA 2.893 54.995 52.037 0.110 0.000 0.714 63 A CB -2.130 16.845 19.000 -0.041 0.000 1.374 63 A HN 1.100 nan 8.150 nan 0.000 0.390 64 T N -2.799 111.851 114.554 0.161 0.000 3.107 64 T HA 0.388 4.811 4.350 0.122 0.000 0.249 64 T C 0.508 175.200 174.700 -0.012 0.000 1.096 64 T CA 1.538 63.677 62.100 0.066 0.000 1.012 64 T CB 0.048 68.929 68.868 0.021 0.000 0.977 64 T HN 1.857 nan 8.240 nan 0.000 0.527 65 D N 0.950 121.346 120.400 -0.007 0.000 2.837 65 D HA -0.221 4.493 4.640 0.122 0.000 0.230 65 D C 0.744 177.055 176.300 0.019 0.000 1.152 65 D CA 1.010 55.002 54.000 -0.014 0.000 0.736 65 D CB -1.596 39.210 40.800 0.011 0.000 1.084 65 D HN 0.727 nan 8.370 nan 0.000 0.429 66 Q N -1.276 118.544 119.800 0.033 0.000 2.226 66 Q HA -0.222 4.191 4.340 0.122 0.000 0.204 66 Q C 1.838 177.929 176.000 0.151 0.000 0.975 66 Q CA 1.337 57.193 55.803 0.088 0.000 0.866 66 Q CB -0.170 28.633 28.738 0.108 0.000 0.915 66 Q HN 0.727 nan 8.270 nan 0.000 0.440 67 Y N 0.101 120.309 120.300 -0.153 0.000 2.151 67 Y HA -0.323 4.294 4.550 0.110 0.000 0.284 67 Y C 1.571 177.433 175.900 -0.064 0.000 1.166 67 Y CA 2.540 60.395 58.100 -0.408 0.000 1.163 67 Y CB -0.091 37.942 38.460 -0.713 0.000 0.974 67 Y HN 0.350 nan 8.280 nan 0.000 0.511 68 H N -1.743 117.447 119.070 0.198 0.000 2.497 68 H HA 0.172 4.806 4.556 0.130 0.000 0.282 68 H C 1.374 176.717 175.328 0.025 0.000 1.003 68 H CA 0.508 56.631 56.048 0.125 0.000 1.307 68 H CB 0.231 30.043 29.762 0.084 0.000 1.437 68 H HN 0.156 nan 8.280 nan 0.000 0.544 69 R N 0.920 121.494 120.500 0.123 0.000 2.468 69 R HA 0.023 4.437 4.340 0.122 0.000 0.280 69 R C 0.793 177.025 176.300 -0.113 0.000 0.963 69 R CA -0.111 55.965 56.100 -0.041 0.000 1.083 69 R CB 0.107 30.384 30.300 -0.038 0.000 1.200 69 R HN 0.483 nan 8.270 nan 0.000 0.541 70 Y N 0.567 120.825 120.300 -0.071 0.000 2.256 70 Y HA -0.107 4.512 4.550 0.115 0.000 0.288 70 Y C 1.448 177.251 175.900 -0.162 0.000 1.155 70 Y CA 0.818 58.855 58.100 -0.105 0.000 1.203 70 Y CB -0.311 38.094 38.460 -0.091 0.000 0.980 70 Y HN -0.194 nan 8.280 nan 0.000 0.530 71 K N 0.560 120.411 120.400 -0.915 0.000 2.097 71 K HA -0.202 4.192 4.320 0.122 0.000 0.206 71 K C 2.123 178.560 176.600 -0.272 0.000 1.049 71 K CA 1.510 57.346 56.287 -0.751 0.000 0.933 71 K CB -0.237 31.571 32.500 -1.154 0.000 0.717 71 K HN 0.577 nan 8.250 nan 0.000 0.442 72 E N 1.330 121.379 120.200 -0.251 0.000 2.058 72 E HA -0.228 4.195 4.350 0.122 0.000 0.194 72 E C 1.237 177.771 176.600 -0.109 0.000 0.997 72 E CA 1.551 57.864 56.400 -0.145 0.000 0.801 72 E CB 0.130 29.743 29.700 -0.144 0.000 0.746 72 E HN 0.197 nan 8.360 nan 0.000 0.450 73 D N -0.017 120.309 120.400 -0.124 0.000 2.144 73 D HA -0.119 4.594 4.640 0.122 0.000 0.200 73 D C 2.086 178.290 176.300 -0.160 0.000 0.978 73 D CA 0.816 54.731 54.000 -0.142 0.000 0.833 73 D CB -0.155 40.555 40.800 -0.150 0.000 0.961 73 D HN 0.110 nan 8.370 nan 0.000 0.470 74 V N 1.663 121.519 119.914 -0.096 0.000 2.343 74 V HA -0.220 3.974 4.120 0.122 0.000 0.247 74 V C 2.010 178.102 176.094 -0.005 0.000 1.051 74 V CA 1.389 63.658 62.300 -0.051 0.000 1.036 74 V CB -0.476 31.444 31.823 0.162 0.000 0.654 74 V HN 0.127 nan 8.190 nan 0.000 0.451 75 N N 0.119 118.854 118.700 0.058 0.000 2.104 75 N HA -0.156 4.657 4.740 0.122 0.000 0.190 75 N C 1.616 177.128 175.510 0.003 0.000 1.024 75 N CA 1.241 54.314 53.050 0.037 0.000 0.853 75 N CB -0.555 37.958 38.487 0.044 0.000 1.008 75 N HN 0.336 nan 8.380 nan 0.000 0.424 76 L N 1.671 122.879 121.223 -0.024 0.000 1.994 76 L HA -0.060 4.353 4.340 0.122 0.000 0.208 76 L C 2.255 179.129 176.870 0.008 0.000 1.071 76 L CA 1.525 56.352 54.840 -0.022 0.000 0.745 76 L CB -0.864 41.160 42.059 -0.059 0.000 0.892 76 L HN 0.276 nan 8.230 nan 0.000 0.431 77 M N -1.772 117.810 119.600 -0.031 0.000 2.213 77 M HA -0.206 4.347 4.480 0.122 0.000 0.263 77 M C 2.247 178.632 176.300 0.143 0.000 1.062 77 M CA 2.093 57.420 55.300 0.046 0.000 1.105 77 M CB -0.812 31.707 32.600 -0.134 0.000 1.385 77 M HN 0.178 nan 8.290 nan 0.000 0.417 78 K N 1.390 121.823 120.400 0.055 0.000 2.057 78 K HA -0.130 4.263 4.320 0.122 0.000 0.206 78 K C 2.203 178.837 176.600 0.057 0.000 1.050 78 K CA 1.917 58.236 56.287 0.054 0.000 0.935 78 K CB -0.147 32.356 32.500 0.005 0.000 0.715 78 K HN 0.579 nan 8.250 nan 0.000 0.439 79 S N 0.550 116.281 115.700 0.051 0.000 2.442 79 S HA -0.096 4.447 4.470 0.122 0.000 0.236 79 S C 1.647 176.282 174.600 0.058 0.000 1.007 79 S CA 0.828 59.061 58.200 0.054 0.000 0.965 79 S CB -0.309 62.925 63.200 0.057 0.000 0.773 79 S HN 0.354 nan 8.310 nan 0.000 0.504 80 L N 0.916 122.182 121.223 0.071 0.000 2.611 80 L HA 0.295 4.709 4.340 0.122 0.000 0.229 80 L C 0.273 177.024 176.870 -0.199 0.000 1.137 80 L CA -0.162 54.688 54.840 0.017 0.000 0.901 80 L CB -0.630 41.527 42.059 0.163 0.000 1.098 80 L HN 0.206 nan 8.230 nan 0.000 0.456 81 N N -1.154 117.486 118.700 -0.100 0.000 2.850 81 N HA -0.191 4.622 4.740 0.122 0.000 0.249 81 N C -0.139 175.240 175.510 -0.219 0.000 1.060 81 N CA 0.781 53.742 53.050 -0.148 0.000 0.825 81 N CB -1.624 36.720 38.487 -0.237 0.000 1.132 81 N HN 0.190 nan 8.380 nan 0.000 0.564 82 F N 1.252 121.188 119.950 -0.025 0.000 2.444 82 F HA 0.118 4.724 4.527 0.132 0.000 0.331 82 F C 1.970 177.783 175.800 0.022 0.000 1.167 82 F CA 0.065 58.047 58.000 -0.031 0.000 1.262 82 F CB 0.552 39.503 39.000 -0.081 0.000 1.196 82 F HN -0.095 nan 8.300 nan 0.000 0.583 83 D N 0.723 121.261 120.400 0.231 0.000 2.392 83 D HA 0.269 4.982 4.640 0.122 0.000 0.206 83 D C 0.149 176.526 176.300 0.129 0.000 1.046 83 D CA 0.494 54.585 54.000 0.152 0.000 0.865 83 D CB 0.597 41.466 40.800 0.115 0.000 0.969 83 D HN 0.396 nan 8.370 nan 0.000 0.509 84 A N 0.198 123.093 122.820 0.124 0.000 2.606 84 A HA 0.516 4.909 4.320 0.122 0.000 0.293 84 A C -2.147 175.617 177.584 0.301 0.000 1.082 84 A CA -0.636 51.509 52.037 0.181 0.000 0.685 84 A CB 1.966 20.975 19.000 0.015 0.000 1.284 84 A HN 0.026 nan 8.150 nan 0.000 0.408 85 Y N 0.973 121.431 120.300 0.262 0.000 2.346 85 Y HA 0.627 5.242 4.550 0.107 0.000 0.332 85 Y C -0.177 175.913 175.900 0.317 0.000 0.985 85 Y CA -0.892 57.357 58.100 0.247 0.000 1.112 85 Y CB 1.504 40.078 38.460 0.192 0.000 1.170 85 Y HN 0.798 nan 8.280 nan 0.000 0.447 86 R N 7.316 127.772 120.500 -0.073 0.000 2.229 86 R HA 0.559 4.972 4.340 0.122 0.000 0.328 86 R C -1.631 174.378 176.300 -0.485 0.000 1.009 86 R CA -0.289 55.602 56.100 -0.350 0.000 0.864 86 R CB 0.289 30.186 30.300 -0.670 0.000 1.085 86 R HN 0.596 nan 8.270 nan 0.000 0.453 87 F N 0.801 120.453 119.950 -0.497 0.000 2.650 87 F HA 0.659 5.255 4.527 0.114 0.000 0.320 87 F C -1.049 174.678 175.800 -0.122 0.000 1.091 87 F CA -1.121 56.633 58.000 -0.410 0.000 0.962 87 F CB 1.409 40.111 39.000 -0.495 0.000 1.363 87 F HN 0.407 nan 8.300 nan 0.000 0.482 88 S N 0.935 116.717 115.700 0.136 0.000 2.607 88 S HA 0.750 5.294 4.470 0.122 0.000 0.303 88 S C -0.942 173.790 174.600 0.220 0.000 1.086 88 S CA -0.782 57.471 58.200 0.088 0.000 0.995 88 S CB 1.527 64.828 63.200 0.169 0.000 1.084 88 S HN 0.724 nan 8.310 nan 0.000 0.507 89 I N 2.383 122.972 120.570 0.031 0.000 2.342 89 I HA 0.258 4.501 4.170 0.122 0.000 0.291 89 I C 0.544 176.792 176.117 0.220 0.000 1.010 89 I CA -0.384 60.816 61.300 -0.166 0.000 1.308 89 I CB 1.718 39.521 38.000 -0.328 0.000 1.400 89 I HN 0.768 nan 8.210 nan 0.000 0.488 90 S N 6.671 122.594 115.700 0.373 0.000 2.455 90 S HA 0.002 4.546 4.470 0.122 0.000 0.278 90 S C 0.854 175.740 174.600 0.478 0.000 1.216 90 S CA -0.430 58.039 58.200 0.448 0.000 1.055 90 S CB 0.268 63.749 63.200 0.468 0.000 0.939 90 S HN 0.702 nan 8.310 nan 0.000 0.494 91 W N 4.836 126.249 121.300 0.188 0.000 2.321 91 W HA -0.173 4.556 4.660 0.115 0.000 0.306 91 W C 2.214 178.766 176.519 0.055 0.000 1.217 91 W CA 2.071 59.344 57.345 -0.119 0.000 1.257 91 W CB -1.214 28.047 29.460 -0.331 0.000 1.145 91 W HN 0.866 nan 8.180 nan 0.000 0.509 92 S N -0.362 115.540 115.700 0.338 0.000 2.561 92 S HA -0.050 4.494 4.470 0.122 0.000 0.225 92 S C 1.894 176.634 174.600 0.232 0.000 0.977 92 S CA 0.749 59.074 58.200 0.207 0.000 0.926 92 S CB -0.327 62.936 63.200 0.105 0.000 0.769 92 S HN 0.378 nan 8.310 nan 0.000 0.533 93 R N 0.461 121.148 120.500 0.312 0.000 2.119 93 R HA 0.122 4.536 4.340 0.122 0.000 0.222 93 R C 1.591 178.071 176.300 0.300 0.000 1.088 93 R CA 1.047 57.334 56.100 0.311 0.000 0.984 93 R CB -0.098 30.459 30.300 0.429 0.000 0.884 93 R HN 0.383 nan 8.270 nan 0.000 0.447 94 I N -0.360 120.408 120.570 0.330 0.000 2.385 94 I HA -0.037 4.207 4.170 0.122 0.000 0.244 94 I C 0.286 176.254 176.117 -0.248 0.000 1.089 94 I CA 1.065 62.432 61.300 0.112 0.000 1.410 94 I CB -0.358 37.787 38.000 0.241 0.000 1.117 94 I HN -0.057 nan 8.210 nan 0.000 0.429 95 F N 1.673 121.730 119.950 0.179 0.000 2.443 95 F HA 0.355 4.954 4.527 0.120 0.000 0.369 95 F C -1.679 174.162 175.800 0.067 0.000 1.090 95 F CA -1.767 56.295 58.000 0.103 0.000 1.129 95 F CB 0.778 39.880 39.000 0.171 0.000 1.367 95 F HN -0.158 nan 8.300 nan 0.000 0.465 96 P HA -0.165 nan 4.420 nan 0.000 0.217 96 P C 0.617 177.953 177.300 0.059 0.000 1.148 96 P CA 1.494 64.653 63.100 0.098 0.000 0.828 96 P CB 0.288 32.027 31.700 0.065 0.000 0.783 97 D N -2.560 117.886 120.400 0.077 0.000 2.340 97 D HA 0.153 4.867 4.640 0.122 0.000 0.217 97 D C 1.589 177.867 176.300 -0.038 0.000 1.081 97 D CA 0.739 54.749 54.000 0.018 0.000 0.842 97 D CB 0.091 40.913 40.800 0.036 0.000 0.934 97 D HN 0.141 nan 8.370 nan 0.000 0.511 98 G N 1.847 110.622 108.800 -0.041 0.000 2.234 98 G HA2 -0.278 3.756 3.960 0.122 0.000 0.260 98 G HA3 -0.278 3.756 3.960 0.122 0.000 0.260 98 G C 0.216 175.087 174.900 -0.047 0.000 0.987 98 G CA 0.704 45.646 45.100 -0.262 0.000 0.625 98 G HN 0.516 nan 8.290 nan 0.000 0.532 99 E N -1.902 118.293 120.200 -0.008 0.000 2.423 99 E HA 0.566 4.989 4.350 0.122 0.000 0.280 99 E C 0.697 177.346 176.600 0.082 0.000 1.030 99 E CA -0.453 55.891 56.400 -0.095 0.000 0.812 99 E CB 1.332 31.020 29.700 -0.020 0.000 1.313 99 E HN 1.777 nan 8.360 nan 0.000 0.456 100 G N 1.794 110.647 108.800 0.089 0.000 2.552 100 G HA2 -0.338 3.696 3.960 0.122 0.000 0.267 100 G HA3 -0.338 3.696 3.960 0.122 0.000 0.267 100 G C -0.260 174.807 174.900 0.279 0.000 1.174 100 G CA 0.138 45.336 45.100 0.163 0.000 0.955 100 G HN 0.794 nan 8.290 nan 0.000 0.546 101 R N 0.361 120.978 120.500 0.194 0.000 2.489 101 R HA 0.432 4.846 4.340 0.122 0.000 0.287 101 R C 0.068 176.388 176.300 0.034 0.000 1.053 101 R CA -0.149 56.019 56.100 0.113 0.000 1.036 101 R CB 0.362 30.703 30.300 0.069 0.000 0.966 101 R HN 0.442 nan 8.270 nan 0.000 0.432 102 V N 4.555 124.391 119.914 -0.130 0.000 2.498 102 V HA 0.038 4.232 4.120 0.122 0.000 0.279 102 V C 0.234 176.217 176.094 -0.184 0.000 1.048 102 V CA -0.560 61.490 62.300 -0.415 0.000 0.967 102 V CB 1.228 32.752 31.823 -0.499 0.000 0.988 102 V HN 0.746 nan 8.190 nan 0.000 0.473 103 N N 4.323 122.920 118.700 -0.172 0.000 2.521 103 N HA 0.126 4.939 4.740 0.122 0.000 0.236 103 N C 1.020 176.549 175.510 0.032 0.000 1.067 103 N CA -0.146 52.888 53.050 -0.026 0.000 0.939 103 N CB 0.982 39.481 38.487 0.021 0.000 1.201 103 N HN 0.531 nan 8.380 nan 0.000 0.511 104 Q N 1.782 121.612 119.800 0.049 0.000 2.170 104 Q HA -0.199 4.214 4.340 0.122 0.000 0.203 104 Q C 1.100 177.179 176.000 0.132 0.000 0.976 104 Q CA 1.150 57.010 55.803 0.094 0.000 0.858 104 Q CB -0.031 28.755 28.738 0.079 0.000 0.907 104 Q HN 0.805 nan 8.270 nan 0.000 0.433 105 E N -0.076 120.197 120.200 0.121 0.000 2.110 105 E HA -0.141 4.282 4.350 0.122 0.000 0.193 105 E C 1.943 178.666 176.600 0.206 0.000 0.988 105 E CA 1.087 57.577 56.400 0.149 0.000 0.804 105 E CB -0.170 29.608 29.700 0.130 0.000 0.745 105 E HN 0.400 nan 8.360 nan 0.000 0.458 106 G N 0.401 109.330 108.800 0.216 0.000 2.402 106 G HA2 -0.223 3.810 3.960 0.122 0.000 0.216 106 G HA3 -0.223 3.810 3.960 0.122 0.000 0.216 106 G C 1.651 176.791 174.900 0.401 0.000 1.162 106 G CA 0.877 46.156 45.100 0.298 0.000 0.777 106 G HN 0.227 nan 8.290 nan 0.000 0.539 107 V N 1.704 121.859 119.914 0.402 0.000 2.332 107 V HA -0.191 4.003 4.120 0.122 0.000 0.248 107 V C 3.336 179.677 176.094 0.411 0.000 1.055 107 V CA 2.092 64.709 62.300 0.528 0.000 1.038 107 V CB -0.926 31.131 31.823 0.391 0.000 0.651 107 V HN 0.478 nan 8.190 nan 0.000 0.450 108 A N -0.941 122.029 122.820 0.250 0.000 1.933 108 A HA -0.266 4.128 4.320 0.122 0.000 0.218 108 A C 2.155 179.772 177.584 0.055 0.000 1.175 108 A CA 2.044 54.174 52.037 0.155 0.000 0.628 108 A CB -0.745 18.329 19.000 0.124 0.000 0.814 108 A HN 0.654 nan 8.150 nan 0.000 0.444 109 Y N -0.496 119.727 120.300 -0.128 0.000 2.097 109 Y HA -0.277 4.347 4.550 0.122 0.000 0.282 109 Y C 2.110 177.711 175.900 -0.499 0.000 1.152 109 Y CA 1.945 59.761 58.100 -0.472 0.000 1.136 109 Y CB -0.700 37.352 38.460 -0.681 0.000 0.975 109 Y HN 0.378 nan 8.280 nan 0.000 0.498 110 Y N 0.310 120.449 120.300 -0.268 0.000 2.293 110 Y HA -0.194 4.423 4.550 0.113 0.000 0.291 110 Y C 2.463 178.176 175.900 -0.311 0.000 1.137 110 Y CA 1.412 59.251 58.100 -0.435 0.000 1.202 110 Y CB -0.871 37.373 38.460 -0.361 0.000 0.990 110 Y HN 0.191 nan 8.280 nan 0.000 0.537 111 N N 0.303 119.082 118.700 0.133 0.000 2.069 111 N HA -0.177 4.636 4.740 0.122 0.000 0.191 111 N C 1.443 176.938 175.510 -0.025 0.000 1.031 111 N CA 1.290 54.437 53.050 0.162 0.000 0.852 111 N CB -0.499 38.126 38.487 0.230 0.000 1.018 111 N HN 0.371 nan 8.380 nan 0.000 0.423 112 N N 1.033 119.637 118.700 -0.160 0.000 2.120 112 N HA -0.127 4.686 4.740 0.122 0.000 0.188 112 N C 1.806 177.159 175.510 -0.262 0.000 1.024 112 N CA 0.466 53.408 53.050 -0.179 0.000 0.852 112 N CB -0.556 37.806 38.487 -0.208 0.000 1.003 112 N HN 0.195 nan 8.380 nan 0.000 0.424 113 L N 1.283 122.090 121.223 -0.692 0.000 1.994 113 L HA 0.005 4.418 4.340 0.122 0.000 0.208 113 L C 2.007 178.757 176.870 -0.200 0.000 1.071 113 L CA 1.293 55.763 54.840 -0.615 0.000 0.745 113 L CB -0.668 40.761 42.059 -1.050 0.000 0.892 113 L HN 0.076 nan 8.230 nan 0.000 0.431 114 I N 0.021 120.499 120.570 -0.153 0.000 2.163 114 I HA -0.317 3.926 4.170 0.122 0.000 0.243 114 I C 2.109 178.256 176.117 0.052 0.000 1.085 114 I CA 1.318 62.625 61.300 0.012 0.000 1.347 114 I CB -0.559 37.471 38.000 0.049 0.000 1.044 114 I HN 0.385 nan 8.210 nan 0.000 0.408 115 N N 0.045 118.780 118.700 0.060 0.000 2.166 115 N HA -0.235 4.578 4.740 0.122 0.000 0.186 115 N C 1.814 177.395 175.510 0.118 0.000 1.019 115 N CA 1.365 54.468 53.050 0.088 0.000 0.856 115 N CB -0.520 38.024 38.487 0.095 0.000 0.993 115 N HN 0.364 nan 8.380 nan 0.000 0.426 116 Y N 1.571 121.889 120.300 0.031 0.000 2.200 116 Y HA 0.007 4.630 4.550 0.121 0.000 0.290 116 Y C 2.199 178.114 175.900 0.025 0.000 1.137 116 Y CA 0.957 59.085 58.100 0.046 0.000 1.163 116 Y CB -0.411 38.118 38.460 0.115 0.000 0.988 116 Y HN -0.046 nan 8.280 nan 0.000 0.518 117 L N -0.677 120.579 121.223 0.056 0.000 1.990 117 L HA -0.314 4.099 4.340 0.122 0.000 0.213 117 L C 2.423 179.268 176.870 -0.041 0.000 1.072 117 L CA 1.672 56.513 54.840 0.001 0.000 0.755 117 L CB -0.780 41.339 42.059 0.099 0.000 0.889 117 L HN 0.257 nan 8.230 nan 0.000 0.432 118 L N -0.925 120.294 121.223 -0.008 0.000 2.093 118 L HA -0.236 4.177 4.340 0.122 0.000 0.208 118 L C 2.712 179.547 176.870 -0.059 0.000 1.085 118 L CA 1.157 55.990 54.840 -0.010 0.000 0.755 118 L CB -0.537 41.533 42.059 0.018 0.000 0.904 118 L HN 0.403 nan 8.230 nan 0.000 0.435 119 Q N 0.401 120.138 119.800 -0.105 0.000 2.135 119 Q HA -0.206 4.207 4.340 0.122 0.000 0.204 119 Q C 1.517 177.393 176.000 -0.207 0.000 0.981 119 Q CA 1.312 57.028 55.803 -0.146 0.000 0.856 119 Q CB 0.234 28.871 28.738 -0.168 0.000 0.902 119 Q HN 0.294 nan 8.270 nan 0.000 0.425 120 K N -0.818 119.404 120.400 -0.298 0.000 2.417 120 K HA 0.095 4.488 4.320 0.122 0.000 0.196 120 K C 0.688 177.215 176.600 -0.121 0.000 1.023 120 K CA 0.719 56.848 56.287 -0.262 0.000 1.122 120 K CB 0.673 32.937 32.500 -0.393 0.000 0.850 120 K HN 0.422 nan 8.250 nan 0.000 0.521 121 G N 1.950 110.703 108.800 -0.079 0.000 2.160 121 G HA2 -0.201 3.833 3.960 0.122 0.000 0.244 121 G HA3 -0.201 3.833 3.960 0.122 0.000 0.244 121 G C -0.021 174.886 174.900 0.012 0.000 1.022 121 G CA -0.220 44.864 45.100 -0.027 0.000 0.741 121 G HN 0.188 nan 8.290 nan 0.000 0.508 122 I N 1.489 122.071 120.570 0.020 0.000 2.362 122 I HA 0.308 4.551 4.170 0.122 0.000 0.289 122 I C 0.687 176.879 176.117 0.125 0.000 0.994 122 I CA -0.382 60.967 61.300 0.081 0.000 1.158 122 I CB 1.206 39.249 38.000 0.072 0.000 1.315 122 I HN -0.011 nan 8.210 nan 0.000 0.451 123 T N 8.490 123.143 114.554 0.165 0.000 2.779 123 T HA 0.220 4.643 4.350 0.122 0.000 0.296 123 T C -2.300 172.573 174.700 0.288 0.000 0.938 123 T CA -0.957 61.254 62.100 0.185 0.000 1.119 123 T CB 0.520 69.501 68.868 0.188 0.000 0.891 123 T HN 0.380 nan 8.240 nan 0.000 0.526 124 P HA 0.225 nan 4.420 nan 0.000 0.282 124 P C -1.312 176.010 177.300 0.038 0.000 1.262 124 P CA -0.474 62.773 63.100 0.244 0.000 0.773 124 P CB 0.351 32.173 31.700 0.203 0.000 0.879 125 Y N 2.020 122.229 120.300 -0.151 0.000 2.334 125 Y HA 0.313 4.935 4.550 0.121 0.000 0.336 125 Y C 0.273 175.903 175.900 -0.449 0.000 0.960 125 Y CA -0.722 57.220 58.100 -0.264 0.000 1.164 125 Y CB 1.607 39.941 38.460 -0.210 0.000 1.155 125 Y HN 0.079 nan 8.280 nan 0.000 0.478 126 V N 4.141 123.790 119.914 -0.442 0.000 2.378 126 V HA 0.291 4.484 4.120 0.122 0.000 0.288 126 V C -0.339 175.683 176.094 -0.120 0.000 1.016 126 V CA -1.221 60.695 62.300 -0.640 0.000 0.840 126 V CB 1.433 32.720 31.823 -0.895 0.000 0.994 126 V HN 0.698 nan 8.190 nan 0.000 0.431 127 N N 2.830 121.486 118.700 -0.074 0.000 2.499 127 N HA 0.413 5.226 4.740 0.122 0.000 0.281 127 N C 0.879 176.466 175.510 0.128 0.000 1.098 127 N CA -0.500 52.632 53.050 0.137 0.000 0.979 127 N CB 1.269 39.822 38.487 0.108 0.000 1.121 127 N HN 0.645 nan 8.380 nan 0.000 0.466 128 L N 1.877 123.211 121.223 0.186 0.000 2.341 128 L HA 0.097 4.510 4.340 0.122 0.000 0.214 128 L C -0.314 176.865 176.870 0.515 0.000 1.115 128 L CA 0.417 55.376 54.840 0.197 0.000 0.820 128 L CB -0.019 42.009 42.059 -0.052 0.000 0.944 128 L HN 0.604 nan 8.230 nan 0.000 0.452 129 Y N -0.606 119.895 120.300 0.335 0.000 2.401 129 Y HA 0.383 5.015 4.550 0.136 0.000 0.330 129 Y C -0.854 175.239 175.900 0.321 0.000 1.071 129 Y CA -1.001 57.384 58.100 0.475 0.000 1.049 129 Y CB 0.993 39.842 38.460 0.649 0.000 1.239 129 Y HN -0.080 nan 8.280 nan 0.000 0.437 130 H N 7.461 126.363 119.070 -0.280 0.000 2.490 130 H HA 0.209 4.854 4.556 0.148 0.000 0.230 130 H C -0.744 174.320 175.328 -0.440 0.000 1.417 130 H CA -0.349 55.475 56.048 -0.374 0.000 1.449 130 H CB -0.269 29.405 29.762 -0.146 0.000 1.649 130 H HN 1.036 nan 8.280 nan 0.000 0.519 131 Y N 0.251 120.343 120.300 -0.346 0.000 4.881 131 Y HA -0.327 4.288 4.550 0.109 0.000 0.241 131 Y C 0.187 176.077 175.900 -0.016 0.000 0.985 131 Y CA 0.788 58.795 58.100 -0.155 0.000 1.976 131 Y CB -1.039 37.225 38.460 -0.327 0.000 1.528 131 Y HN 0.471 nan 8.280 nan 0.000 0.581 132 D N 0.475 120.812 120.400 -0.105 0.000 3.035 132 D HA 0.301 5.015 4.640 0.122 0.000 0.290 132 D C 0.002 176.442 176.300 0.233 0.000 1.360 132 D CA -0.486 53.607 54.000 0.154 0.000 0.862 132 D CB -0.060 40.868 40.800 0.213 0.000 1.078 132 D HN 0.250 nan 8.370 nan 0.000 0.487 133 L N 1.094 122.571 121.223 0.423 0.000 2.615 133 L HA 0.150 4.563 4.340 0.122 0.000 0.284 133 L C -2.287 174.601 176.870 0.030 0.000 1.237 133 L CA -0.762 54.307 54.840 0.382 0.000 0.905 133 L CB 0.088 42.374 42.059 0.378 0.000 1.149 133 L HN -0.063 nan 8.230 nan 0.000 0.499 134 P HA -0.084 nan 4.420 nan 0.000 0.262 134 P C 0.440 177.644 177.300 -0.160 0.000 1.182 134 P CA -0.043 62.916 63.100 -0.235 0.000 0.761 134 P CB 0.545 31.959 31.700 -0.476 0.000 0.795 135 L N 5.395 126.575 121.223 -0.072 0.000 2.079 135 L HA -0.227 4.186 4.340 0.122 0.000 0.210 135 L C 2.111 178.937 176.870 -0.074 0.000 1.081 135 L CA 2.314 57.122 54.840 -0.052 0.000 0.752 135 L CB -1.387 40.658 42.059 -0.024 0.000 0.896 135 L HN 0.417 nan 8.230 nan 0.000 0.433 136 A N -0.715 122.053 122.820 -0.086 0.000 1.978 136 A HA -0.177 4.217 4.320 0.122 0.000 0.220 136 A C 2.223 179.757 177.584 -0.083 0.000 1.170 136 A CA 2.011 54.000 52.037 -0.080 0.000 0.636 136 A CB -0.803 18.158 19.000 -0.066 0.000 0.810 136 A HN 0.533 nan 8.150 nan 0.000 0.448 137 L N -1.256 119.895 121.223 -0.120 0.000 2.179 137 L HA -0.108 4.306 4.340 0.122 0.000 0.208 137 L C 2.549 179.391 176.870 -0.047 0.000 1.096 137 L CA 1.389 56.197 54.840 -0.053 0.000 0.779 137 L CB -0.474 41.415 42.059 -0.283 0.000 0.922 137 L HN 0.424 nan 8.230 nan 0.000 0.443 138 E N 1.160 121.303 120.200 -0.096 0.000 2.051 138 E HA -0.211 4.212 4.350 0.122 0.000 0.192 138 E C 2.093 178.665 176.600 -0.046 0.000 0.991 138 E CA 1.582 57.945 56.400 -0.062 0.000 0.799 138 E CB 0.079 29.753 29.700 -0.043 0.000 0.748 138 E HN 0.271 nan 8.360 nan 0.000 0.449 139 K N -0.079 120.284 120.400 -0.061 0.000 2.062 139 K HA -0.097 4.296 4.320 0.122 0.000 0.205 139 K C 2.282 178.815 176.600 -0.113 0.000 1.051 139 K CA 1.335 57.579 56.287 -0.072 0.000 0.941 139 K CB -0.106 32.352 32.500 -0.070 0.000 0.719 139 K HN 0.008 nan 8.250 nan 0.000 0.440 140 K N -0.145 120.154 120.400 -0.167 0.000 2.116 140 K HA -0.085 4.308 4.320 0.122 0.000 0.203 140 K C 1.202 177.535 176.600 -0.445 0.000 1.052 140 K CA 1.247 57.320 56.287 -0.357 0.000 0.952 140 K CB 0.193 32.375 32.500 -0.530 0.000 0.729 140 K HN 0.133 nan 8.250 nan 0.000 0.446 141 Y N -1.465 118.772 120.300 -0.105 0.000 2.444 141 Y HA 0.261 4.884 4.550 0.121 0.000 0.252 141 Y C 1.141 176.982 175.900 -0.098 0.000 1.091 141 Y CA 0.165 58.201 58.100 -0.107 0.000 1.276 141 Y CB 1.569 39.941 38.460 -0.146 0.000 1.170 141 Y HN 0.275 nan 8.280 nan 0.000 0.517 142 G N 0.284 109.107 108.800 0.038 0.000 2.132 142 G HA2 -0.051 3.982 3.960 0.122 0.000 0.234 142 G HA3 -0.051 3.982 3.960 0.122 0.000 0.234 142 G C 0.969 175.871 174.900 0.004 0.000 0.989 142 G CA 0.102 45.217 45.100 0.025 0.000 0.676 142 G HN 1.000 nan 8.290 nan 0.000 0.522 143 G N -0.670 108.080 108.800 -0.083 0.000 2.596 143 G HA2 -0.320 3.713 3.960 0.122 0.000 0.295 143 G HA3 -0.320 3.713 3.960 0.122 0.000 0.295 143 G C 0.891 175.576 174.900 -0.358 0.000 1.240 143 G CA 0.993 45.924 45.100 -0.282 0.000 0.985 143 G HN 1.093 nan 8.290 nan 0.000 0.555 144 W N 0.875 122.109 121.300 -0.111 0.000 2.825 144 W HA 0.350 5.080 4.660 0.117 0.000 0.243 144 W C 2.500 178.838 176.519 -0.301 0.000 1.293 144 W CA 0.282 57.426 57.345 -0.336 0.000 1.403 144 W CB -0.241 28.882 29.460 -0.562 0.000 1.134 144 W HN 0.317 nan 8.180 nan 0.000 0.666 145 L N 0.195 121.399 121.223 -0.031 0.000 2.275 145 L HA -0.082 4.331 4.340 0.122 0.000 0.215 145 L C 1.112 177.967 176.870 -0.026 0.000 1.119 145 L CA 0.608 55.423 54.840 -0.042 0.000 0.790 145 L CB -0.565 41.511 42.059 0.029 0.000 0.919 145 L HN -0.096 nan 8.230 nan 0.000 0.443 146 N N 0.267 118.938 118.700 -0.048 0.000 2.422 146 N HA 0.196 5.009 4.740 0.122 0.000 0.266 146 N C 0.737 176.214 175.510 -0.055 0.000 1.007 146 N CA 0.314 53.342 53.050 -0.036 0.000 0.941 146 N CB 1.940 40.413 38.487 -0.023 0.000 1.115 146 N HN 0.006 nan 8.380 nan 0.000 0.492 147 A N 3.906 126.719 122.820 -0.013 0.000 2.076 147 A HA -0.180 4.213 4.320 0.122 0.000 0.220 147 A C 1.902 179.470 177.584 -0.026 0.000 1.160 147 A CA 1.393 53.431 52.037 0.002 0.000 0.653 147 A CB -0.222 18.797 19.000 0.032 0.000 0.801 147 A HN 0.687 nan 8.150 nan 0.000 0.455 148 K N -0.543 119.819 120.400 -0.063 0.000 2.360 148 K HA -0.061 4.333 4.320 0.122 0.000 0.201 148 K C 1.657 178.138 176.600 -0.198 0.000 1.046 148 K CA 1.141 57.354 56.287 -0.122 0.000 0.945 148 K CB -0.359 32.049 32.500 -0.153 0.000 0.750 148 K HN 0.364 nan 8.250 nan 0.000 0.464 149 M N -0.132 119.339 119.600 -0.215 0.000 2.202 149 M HA -0.089 4.464 4.480 0.122 0.000 0.262 149 M C 2.058 178.368 176.300 0.017 0.000 1.063 149 M CA 1.592 56.746 55.300 -0.243 0.000 1.097 149 M CB -1.237 31.072 32.600 -0.485 0.000 1.382 149 M HN 0.285 nan 8.290 nan 0.000 0.413 150 A N 0.417 123.276 122.820 0.066 0.000 1.883 150 A HA -0.193 4.200 4.320 0.122 0.000 0.217 150 A C 1.925 179.589 177.584 0.135 0.000 1.186 150 A CA 2.044 54.177 52.037 0.159 0.000 0.624 150 A CB -0.686 18.383 19.000 0.116 0.000 0.822 150 A HN 0.377 nan 8.150 nan 0.000 0.444 151 D N -0.038 120.388 120.400 0.043 0.000 2.097 151 D HA -0.096 4.617 4.640 0.122 0.000 0.195 151 D C 1.978 178.280 176.300 0.004 0.000 0.989 151 D CA 1.113 55.120 54.000 0.011 0.000 0.827 151 D CB -0.379 40.404 40.800 -0.028 0.000 0.966 151 D HN 0.442 nan 8.370 nan 0.000 0.456 152 L N -0.368 120.842 121.223 -0.021 0.000 2.046 152 L HA -0.145 4.268 4.340 0.122 0.000 0.208 152 L C 2.348 179.340 176.870 0.204 0.000 1.077 152 L CA 0.807 55.662 54.840 0.026 0.000 0.747 152 L CB -0.387 41.609 42.059 -0.105 0.000 0.896 152 L HN -0.021 nan 8.230 nan 0.000 0.432 153 F N 0.594 120.612 119.950 0.114 0.000 2.146 153 F HA -0.195 4.403 4.527 0.119 0.000 0.298 153 F C 2.477 178.214 175.800 -0.106 0.000 1.096 153 F CA 1.807 59.819 58.000 0.020 0.000 1.275 153 F CB -0.444 38.695 39.000 0.233 0.000 1.008 153 F HN -0.077 nan 8.300 nan 0.000 0.480 154 T N 0.294 114.813 114.554 -0.058 0.000 2.759 154 T HA -0.167 4.256 4.350 0.122 0.000 0.269 154 T C 1.729 176.284 174.700 -0.242 0.000 1.042 154 T CA 1.573 63.568 62.100 -0.174 0.000 1.140 154 T CB -0.223 68.642 68.868 -0.006 0.000 0.864 154 T HN 0.225 nan 8.240 nan 0.000 0.455 155 E N 0.434 120.536 120.200 -0.165 0.000 2.106 155 E HA -0.077 4.346 4.350 0.122 0.000 0.192 155 E C 1.845 178.314 176.600 -0.218 0.000 0.984 155 E CA 0.848 57.159 56.400 -0.147 0.000 0.806 155 E CB -0.475 29.159 29.700 -0.111 0.000 0.750 155 E HN 0.653 nan 8.360 nan 0.000 0.458 156 Y N 1.460 121.448 120.300 -0.520 0.000 2.200 156 Y HA -0.108 4.514 4.550 0.120 0.000 0.290 156 Y C 2.201 177.719 175.900 -0.638 0.000 1.137 156 Y CA 1.401 59.124 58.100 -0.628 0.000 1.163 156 Y CB -0.648 37.116 38.460 -1.159 0.000 0.988 156 Y HN -0.025 nan 8.280 nan 0.000 0.518 157 A N 0.239 122.328 122.820 -1.219 0.000 1.902 157 A HA -0.225 4.168 4.320 0.122 0.000 0.217 157 A C 2.210 178.947 177.584 -1.412 0.000 1.181 157 A CA 1.889 52.959 52.037 -1.612 0.000 0.623 157 A CB -1.165 16.925 19.000 -1.516 0.000 0.818 157 A HN 0.625 nan 8.150 nan 0.000 0.443 158 D N -1.068 118.939 120.400 -0.655 0.000 2.104 158 D HA -0.203 4.510 4.640 0.122 0.000 0.194 158 D C 1.782 177.910 176.300 -0.286 0.000 0.994 158 D CA 1.617 55.477 54.000 -0.235 0.000 0.830 158 D CB -0.258 40.563 40.800 0.034 0.000 0.959 158 D HN 0.385 nan 8.370 nan 0.000 0.452 159 F N 1.249 121.027 119.950 -0.287 0.000 2.126 159 F HA -0.241 4.358 4.527 0.120 0.000 0.299 159 F C 2.592 178.205 175.800 -0.311 0.000 1.096 159 F CA 1.541 59.453 58.000 -0.147 0.000 1.255 159 F CB -0.486 38.620 39.000 0.177 0.000 0.997 159 F HN 0.102 nan 8.300 nan 0.000 0.479 160 C N 0.244 119.309 119.300 -0.392 0.000 2.432 160 C HA -0.171 4.362 4.460 0.122 0.000 0.277 160 C C 2.631 177.348 174.990 -0.454 0.000 1.249 160 C CA 0.737 59.534 59.018 -0.369 0.000 1.725 160 C CB -1.674 25.745 27.740 -0.536 0.000 2.028 160 C HN 0.486 nan 8.230 nan 0.000 0.477 161 F N 1.678 121.166 119.950 -0.769 0.000 2.095 161 F HA -0.135 4.466 4.527 0.123 0.000 0.298 161 F C 2.380 177.711 175.800 -0.782 0.000 1.104 161 F CA 1.684 59.178 58.000 -0.842 0.000 1.232 161 F CB -1.136 37.192 39.000 -1.120 0.000 0.987 161 F HN 0.254 nan 8.300 nan 0.000 0.475 162 K N -0.227 119.732 120.400 -0.734 0.000 2.057 162 K HA -0.148 4.245 4.320 0.122 0.000 0.207 162 K C 1.817 178.167 176.600 -0.416 0.000 1.049 162 K CA 1.930 57.938 56.287 -0.464 0.000 0.931 162 K CB -0.229 32.106 32.500 -0.275 0.000 0.714 162 K HN 0.226 nan 8.250 nan 0.000 0.440 163 T N -0.386 113.750 114.554 -0.697 0.000 2.978 163 T HA 0.030 4.453 4.350 0.122 0.000 0.262 163 T C 0.908 175.178 174.700 -0.717 0.000 1.063 163 T CA 0.853 62.402 62.100 -0.918 0.000 1.140 163 T CB -0.006 67.899 68.868 -1.605 0.000 0.886 163 T HN 0.164 nan 8.240 nan 0.000 0.470 164 F N 0.069 120.021 119.950 0.003 0.000 2.746 164 F HA 0.433 5.037 4.527 0.128 0.000 0.313 164 F C 2.255 178.168 175.800 0.188 0.000 1.095 164 F CA -0.775 57.298 58.000 0.122 0.000 1.224 164 F CB -0.472 38.654 39.000 0.209 0.000 1.060 164 F HN 0.129 nan 8.300 nan 0.000 0.584 165 G N 0.217 109.261 108.800 0.405 0.000 2.598 165 G HA2 -0.184 3.850 3.960 0.122 0.000 0.215 165 G HA3 -0.184 3.850 3.960 0.122 0.000 0.215 165 G C 1.458 176.495 174.900 0.228 0.000 1.131 165 G CA 0.537 45.911 45.100 0.456 0.000 0.785 165 G HN 0.165 nan 8.290 nan 0.000 0.539 166 N N 0.386 119.170 118.700 0.139 0.000 2.381 166 N HA -0.008 4.805 4.740 0.122 0.000 0.182 166 N C 2.143 177.698 175.510 0.075 0.000 1.025 166 N CA 0.619 53.721 53.050 0.088 0.000 0.888 166 N CB -0.020 38.501 38.487 0.056 0.000 0.965 166 N HN 0.386 nan 8.380 nan 0.000 0.438 167 R N -0.738 119.817 120.500 0.091 0.000 2.225 167 R HA 0.249 4.662 4.340 0.122 0.000 0.194 167 R C 0.034 176.330 176.300 -0.007 0.000 0.949 167 R CA 0.017 56.150 56.100 0.054 0.000 1.088 167 R CB 0.618 30.965 30.300 0.079 0.000 1.106 167 R HN -0.118 nan 8.270 nan 0.000 0.566 168 V N 2.940 122.825 119.914 -0.048 0.000 2.488 168 V HA 0.100 4.293 4.120 0.122 0.000 0.277 168 V C 0.548 176.437 176.094 -0.341 0.000 1.046 168 V CA 0.261 62.361 62.300 -0.334 0.000 0.986 168 V CB 1.478 32.813 31.823 -0.813 0.000 0.989 168 V HN 0.179 nan 8.190 nan 0.000 0.475 169 K N 2.674 122.842 120.400 -0.386 0.000 2.402 169 K HA 0.250 4.643 4.320 0.122 0.000 0.204 169 K C -0.244 175.909 176.600 -0.745 0.000 1.056 169 K CA 0.069 56.110 56.287 -0.410 0.000 1.069 169 K CB 0.515 32.811 32.500 -0.340 0.000 0.888 169 K HN 0.774 nan 8.250 nan 0.000 0.546 170 H N -0.827 117.829 119.070 -0.690 0.000 2.991 170 H HA 0.295 4.925 4.556 0.122 0.000 0.304 170 H C -1.236 173.629 175.328 -0.772 0.000 1.040 170 H CA -0.551 55.072 56.048 -0.709 0.000 1.410 170 H CB 0.461 29.457 29.762 -1.276 0.000 1.529 170 H HN -0.052 nan 8.280 nan 0.000 0.509 171 W N 2.874 123.956 121.300 -0.364 0.000 2.647 171 W HA 0.625 5.356 4.660 0.119 0.000 0.353 171 W C -0.845 175.387 176.519 -0.478 0.000 1.080 171 W CA -0.720 56.422 57.345 -0.339 0.000 1.208 171 W CB 1.178 30.482 29.460 -0.260 0.000 1.396 171 W HN 0.316 nan 8.180 nan 0.000 0.573 172 F N 0.277 120.380 119.950 0.255 0.000 2.563 172 F HA 0.313 4.915 4.527 0.124 0.000 0.316 172 F C 1.339 177.201 175.800 0.104 0.000 1.076 172 F CA -0.856 57.248 58.000 0.174 0.000 0.921 172 F CB 1.891 40.952 39.000 0.102 0.000 1.209 172 F HN 0.399 nan 8.300 nan 0.000 0.462 173 T N -1.246 113.452 114.554 0.240 0.000 2.706 173 T HA 0.157 4.580 4.350 0.122 0.000 0.255 173 T C 0.233 174.761 174.700 -0.287 0.000 1.048 173 T CA 0.973 63.047 62.100 -0.044 0.000 1.153 173 T CB -0.203 68.604 68.868 -0.101 0.000 0.865 173 T HN 0.253 nan 8.240 nan 0.000 0.414 174 F N 1.258 121.312 119.950 0.173 0.000 2.561 174 F HA 0.559 5.157 4.527 0.118 0.000 0.321 174 F C -0.088 175.612 175.800 -0.167 0.000 1.065 174 F CA -1.485 56.511 58.000 -0.007 0.000 0.934 174 F CB 1.674 40.509 39.000 -0.275 0.000 1.215 174 F HN 0.043 nan 8.300 nan 0.000 0.471 175 N N 1.385 120.038 118.700 -0.077 0.000 2.469 175 N HA 0.237 5.050 4.740 0.122 0.000 0.253 175 N C -1.296 173.924 175.510 -0.483 0.000 0.970 175 N CA -0.178 52.617 53.050 -0.426 0.000 0.940 175 N CB 0.281 38.241 38.487 -0.877 0.000 1.128 175 N HN 0.639 nan 8.380 nan 0.000 0.503 176 E N 1.915 121.851 120.200 -0.440 0.000 2.252 176 E HA -0.157 4.266 4.350 0.122 0.000 0.199 176 E C -1.821 174.420 176.600 -0.598 0.000 1.352 176 E CA 0.019 56.161 56.400 -0.429 0.000 0.682 176 E CB -0.625 28.929 29.700 -0.244 0.000 1.142 176 E HN 0.653 nan 8.360 nan 0.000 0.367 177 P HA -0.244 nan 4.420 nan 0.000 0.218 177 P C 1.307 178.076 177.300 -0.886 0.000 1.148 177 P CA 1.145 63.387 63.100 -1.430 0.000 0.822 177 P CB 0.032 30.707 31.700 -1.708 0.000 0.784 178 R N -0.231 119.818 120.500 -0.753 0.000 2.096 178 R HA -0.103 4.310 4.340 0.122 0.000 0.235 178 R C 2.149 178.342 176.300 -0.179 0.000 1.127 178 R CA 1.228 57.144 56.100 -0.307 0.000 0.968 178 R CB -0.404 29.868 30.300 -0.047 0.000 0.861 178 R HN 0.082 nan 8.270 nan 0.000 0.440 179 I N 0.381 120.814 120.570 -0.228 0.000 2.353 179 I HA -0.179 4.064 4.170 0.122 0.000 0.248 179 I C 2.356 178.340 176.117 -0.222 0.000 1.119 179 I CA 0.858 62.038 61.300 -0.201 0.000 1.417 179 I CB -0.890 36.975 38.000 -0.225 0.000 1.078 179 I HN 0.028 nan 8.210 nan 0.000 0.421 180 V N 1.591 121.369 119.914 -0.227 0.000 2.261 180 V HA -0.268 3.925 4.120 0.122 0.000 0.246 180 V C 2.882 179.026 176.094 0.083 0.000 1.047 180 V CA 1.927 64.179 62.300 -0.080 0.000 1.015 180 V CB -1.223 30.598 31.823 -0.004 0.000 0.642 180 V HN 0.442 nan 8.190 nan 0.000 0.446 181 A N -0.256 122.561 122.820 -0.006 0.000 1.908 181 A HA -0.212 4.181 4.320 0.122 0.000 0.218 181 A C 2.177 179.812 177.584 0.086 0.000 1.181 181 A CA 2.316 54.381 52.037 0.048 0.000 0.627 181 A CB -0.565 18.367 19.000 -0.113 0.000 0.818 181 A HN 0.469 nan 8.150 nan 0.000 0.445 182 L N -0.514 120.726 121.223 0.029 0.000 2.007 182 L HA 0.008 4.421 4.340 0.122 0.000 0.205 182 L C 2.221 179.110 176.870 0.031 0.000 1.073 182 L CA 1.762 56.653 54.840 0.085 0.000 0.744 182 L CB -0.401 41.739 42.059 0.136 0.000 0.898 182 L HN 0.368 nan 8.230 nan 0.000 0.435 183 L N -0.936 120.255 121.223 -0.053 0.000 2.270 183 L HA 0.090 4.503 4.340 0.122 0.000 0.210 183 L C 2.356 179.139 176.870 -0.144 0.000 1.104 183 L CA 0.788 55.559 54.840 -0.114 0.000 0.804 183 L CB -1.026 40.913 42.059 -0.200 0.000 0.937 183 L HN 0.446 nan 8.230 nan 0.000 0.450 184 G N -1.454 107.271 108.800 -0.126 0.000 2.494 184 G HA2 -0.149 3.884 3.960 0.122 0.000 0.216 184 G HA3 -0.149 3.884 3.960 0.122 0.000 0.216 184 G C 0.986 175.584 174.900 -0.503 0.000 1.140 184 G CA 0.377 45.288 45.100 -0.315 0.000 0.801 184 G HN 0.347 nan 8.290 nan 0.000 0.536 185 Y N -1.648 118.636 120.300 -0.027 0.000 2.515 185 Y HA 0.237 4.860 4.550 0.122 0.000 0.267 185 Y C 1.636 177.539 175.900 0.004 0.000 1.058 185 Y CA -0.134 57.964 58.100 -0.003 0.000 1.231 185 Y CB 0.754 39.221 38.460 0.011 0.000 1.350 185 Y HN 0.137 nan 8.280 nan 0.000 0.554 186 D N 0.077 120.556 120.400 0.131 0.000 2.735 186 D HA -0.040 4.673 4.640 0.122 0.000 0.267 186 D C 1.572 177.899 176.300 0.045 0.000 1.081 186 D CA 1.315 55.377 54.000 0.103 0.000 0.980 186 D CB 0.231 41.123 40.800 0.155 0.000 1.129 186 D HN 0.254 nan 8.370 nan 0.000 0.459 187 Q N -0.449 119.362 119.800 0.018 0.000 2.269 187 Q HA 0.214 4.628 4.340 0.122 0.000 0.201 187 Q C 1.001 176.982 176.000 -0.030 0.000 0.946 187 Q CA 0.730 56.525 55.803 -0.014 0.000 0.877 187 Q CB 0.513 29.233 28.738 -0.029 0.000 0.963 187 Q HN 0.460 nan 8.270 nan 0.000 0.472 188 G N 1.397 110.163 108.800 -0.056 0.000 2.176 188 G HA2 -0.303 3.730 3.960 0.122 0.000 0.252 188 G HA3 -0.303 3.730 3.960 0.122 0.000 0.252 188 G C 0.711 175.571 174.900 -0.065 0.000 1.024 188 G CA 0.811 45.860 45.100 -0.085 0.000 0.755 188 G HN 0.470 nan 8.290 nan 0.000 0.507 189 T N -3.602 110.910 114.554 -0.071 0.000 3.044 189 T HA 0.306 4.729 4.350 0.122 0.000 0.250 189 T C 0.773 175.421 174.700 -0.085 0.000 1.081 189 T CA 0.705 62.790 62.100 -0.025 0.000 1.040 189 T CB 0.596 69.455 68.868 -0.015 0.000 0.962 189 T HN 0.270 nan 8.240 nan 0.000 0.506 190 N N 1.734 120.274 118.700 -0.267 0.000 2.402 190 N HA 0.545 5.358 4.740 0.122 0.000 0.294 190 N C -3.132 171.988 175.510 -0.650 0.000 1.203 190 N CA -2.238 50.447 53.050 -0.608 0.000 0.838 190 N CB 1.391 39.590 38.487 -0.479 0.000 1.306 190 N HN -0.036 nan 8.380 nan 0.000 0.510 191 P HA 0.077 nan 4.420 nan 0.000 0.265 191 P C -1.970 175.095 177.300 -0.392 0.000 1.187 191 P CA -0.632 62.115 63.100 -0.588 0.000 0.766 191 P CB 0.079 31.362 31.700 -0.695 0.000 0.820 192 P HA 0.048 nan 4.420 nan 0.000 0.255 192 P C -0.350 176.814 177.300 -0.227 0.000 1.357 192 P CA 0.002 62.945 63.100 -0.263 0.000 0.839 192 P CB -0.121 31.442 31.700 -0.229 0.000 1.356 193 K N -0.212 120.038 120.400 -0.250 0.000 3.096 193 K HA -0.162 4.231 4.320 0.122 0.000 0.266 193 K C -0.121 176.391 176.600 -0.146 0.000 1.043 193 K CA 0.462 56.665 56.287 -0.140 0.000 0.758 193 K CB -1.392 31.098 32.500 -0.018 0.000 1.260 193 K HN 0.411 nan 8.250 nan 0.000 0.481 194 R N 0.010 120.366 120.500 -0.239 0.000 2.474 194 R HA 0.643 5.056 4.340 0.122 0.000 0.295 194 R C 0.129 176.387 176.300 -0.070 0.000 0.980 194 R CA -0.069 55.943 56.100 -0.148 0.000 0.934 194 R CB 1.448 31.651 30.300 -0.162 0.000 1.101 194 R HN 0.523 nan 8.270 nan 0.000 0.469 195 C N -1.420 117.874 119.300 -0.011 0.000 3.165 195 C HA 0.247 4.780 4.460 0.122 0.000 0.345 195 C C 1.555 176.558 174.990 0.023 0.000 1.367 195 C CA -0.800 58.228 59.018 0.018 0.000 1.205 195 C CB 1.089 28.830 27.740 0.000 0.000 1.447 195 C HN 0.812 nan 8.230 nan 0.000 0.451 196 T N 1.027 115.599 114.554 0.029 0.000 2.720 196 T HA -0.162 4.261 4.350 0.122 0.000 0.268 196 T C 1.526 176.234 174.700 0.014 0.000 1.037 196 T CA 2.298 64.414 62.100 0.026 0.000 1.144 196 T CB -0.341 68.543 68.868 0.027 0.000 0.864 196 T HN 0.911 nan 8.240 nan 0.000 0.444 197 K N 0.232 120.636 120.400 0.007 0.000 2.444 197 K HA 0.174 4.568 4.320 0.122 0.000 0.193 197 K C 0.185 176.782 176.600 -0.004 0.000 1.024 197 K CA -0.073 56.215 56.287 0.001 0.000 1.077 197 K CB -0.288 32.211 32.500 -0.002 0.000 0.833 197 K HN 0.213 nan 8.250 nan 0.000 0.517 198 C N 1.574 120.871 119.300 -0.005 0.000 2.539 198 C HA 0.364 4.898 4.460 0.122 0.000 0.392 198 C C 2.038 177.019 174.990 -0.015 0.000 1.269 198 C CA -0.274 58.736 59.018 -0.014 0.000 2.250 198 C CB 0.893 28.619 27.740 -0.023 0.000 2.584 198 C HN 0.638 nan 8.230 nan 0.000 0.589 199 A N 2.622 125.431 122.820 -0.019 0.000 1.940 199 A HA -0.059 4.334 4.320 0.122 0.000 0.219 199 A C 2.191 179.763 177.584 -0.020 0.000 1.176 199 A CA 2.152 54.178 52.037 -0.019 0.000 0.631 199 A CB -0.695 18.290 19.000 -0.024 0.000 0.814 199 A HN 1.135 nan 8.150 nan 0.000 0.446 200 A N -1.626 121.178 122.820 -0.026 0.000 2.121 200 A HA 0.423 4.816 4.320 0.122 0.000 0.218 200 A C 1.556 179.130 177.584 -0.016 0.000 1.154 200 A CA 1.580 53.600 52.037 -0.027 0.000 0.679 200 A CB -1.044 17.930 19.000 -0.044 0.000 0.795 200 A HN 2.192 nan 8.150 nan 0.000 0.458 201 G N -3.246 105.549 108.800 -0.009 0.000 2.566 201 G HA2 0.507 4.540 3.960 0.122 0.000 0.599 201 G HA3 0.507 4.540 3.960 0.122 0.000 0.599 201 G C 0.366 175.275 174.900 0.015 0.000 1.292 201 G CA -0.147 44.957 45.100 0.006 0.000 0.922 201 G HN 2.445 nan 8.290 nan 0.000 0.514 202 G N -0.863 107.960 108.800 0.038 0.000 2.353 202 G HA2 0.502 4.535 3.960 0.122 0.000 0.424 202 G HA3 0.502 4.535 3.960 0.122 0.000 0.424 202 G C -1.197 173.744 174.900 0.067 0.000 1.320 202 G CA 0.457 45.597 45.100 0.067 0.000 0.995 202 G HN 2.342 nan 8.290 nan 0.000 0.580 203 N N -0.665 118.090 118.700 0.092 0.000 2.812 203 N HA 0.352 5.165 4.740 0.122 0.000 0.262 203 N C 0.746 176.319 175.510 0.105 0.000 1.241 203 N CA 0.176 53.276 53.050 0.083 0.000 0.854 203 N CB 1.491 40.025 38.487 0.078 0.000 1.506 203 N HN 0.437 nan 8.380 nan 0.000 0.576 204 S N 1.112 116.867 115.700 0.090 0.000 2.474 204 S HA -0.026 4.518 4.470 0.122 0.000 0.235 204 S C 1.643 176.318 174.600 0.125 0.000 0.997 204 S CA 1.015 59.275 58.200 0.100 0.000 0.949 204 S CB 0.183 63.426 63.200 0.071 0.000 0.766 204 S HN 0.676 nan 8.310 nan 0.000 0.517 205 A N 1.267 124.166 122.820 0.132 0.000 2.081 205 A HA 0.065 4.458 4.320 0.122 0.000 0.214 205 A C 2.191 179.939 177.584 0.274 0.000 1.158 205 A CA 1.369 53.520 52.037 0.189 0.000 0.724 205 A CB -0.384 18.693 19.000 0.128 0.000 0.826 205 A HN 0.580 nan 8.150 nan 0.000 0.463 206 T N -4.158 110.520 114.554 0.206 0.000 3.058 206 T HA 0.140 4.564 4.350 0.122 0.000 0.247 206 T C 1.513 176.322 174.700 0.183 0.000 0.987 206 T CA 0.622 62.852 62.100 0.216 0.000 1.062 206 T CB -0.217 68.721 68.868 0.118 0.000 1.048 206 T HN 0.356 nan 8.240 nan 0.000 0.468 207 E N 2.314 122.587 120.200 0.122 0.000 2.077 207 E HA -0.026 4.397 4.350 0.122 0.000 0.193 207 E C -0.737 175.840 176.600 -0.040 0.000 0.989 207 E CA 1.289 57.725 56.400 0.059 0.000 0.800 207 E CB -1.046 28.751 29.700 0.161 0.000 0.746 207 E HN 0.448 nan 8.360 nan 0.000 0.452 208 P HA -0.176 nan 4.420 nan 0.000 0.216 208 P C 0.716 177.972 177.300 -0.073 0.000 1.150 208 P CA 1.272 64.300 63.100 -0.121 0.000 0.837 208 P CB -0.086 31.461 31.700 -0.255 0.000 0.786 209 Y N -1.236 119.165 120.300 0.168 0.000 2.263 209 Y HA -0.062 4.562 4.550 0.124 0.000 0.292 209 Y C 2.337 178.286 175.900 0.081 0.000 1.130 209 Y CA 0.682 58.897 58.100 0.190 0.000 1.179 209 Y CB -1.276 37.206 38.460 0.036 0.000 0.998 209 Y HN -0.104 nan 8.280 nan 0.000 0.532 210 I N -1.077 119.574 120.570 0.135 0.000 2.179 210 I HA -0.279 3.964 4.170 0.122 0.000 0.242 210 I C 2.155 178.275 176.117 0.006 0.000 1.088 210 I CA 1.095 62.422 61.300 0.045 0.000 1.357 210 I CB -0.549 37.447 38.000 -0.007 0.000 1.051 210 I HN 0.018 nan 8.210 nan 0.000 0.409 211 V N 0.968 120.808 119.914 -0.124 0.000 2.295 211 V HA -0.301 3.892 4.120 0.122 0.000 0.246 211 V C 2.714 178.765 176.094 -0.072 0.000 1.049 211 V CA 2.017 64.186 62.300 -0.218 0.000 1.024 211 V CB -1.020 30.505 31.823 -0.497 0.000 0.648 211 V HN 0.502 nan 8.190 nan 0.000 0.447 212 A N -0.701 122.096 122.820 -0.039 0.000 1.908 212 A HA -0.328 4.066 4.320 0.122 0.000 0.218 212 A C 2.094 179.716 177.584 0.062 0.000 1.181 212 A CA 2.467 54.439 52.037 -0.107 0.000 0.627 212 A CB -0.883 17.741 19.000 -0.626 0.000 0.818 212 A HN 0.720 nan 8.150 nan 0.000 0.445 213 H N 0.280 119.377 119.070 0.044 0.000 2.353 213 H HA -0.075 4.554 4.556 0.122 0.000 0.300 213 H C 1.962 177.321 175.328 0.052 0.000 1.090 213 H CA 2.022 58.118 56.048 0.080 0.000 1.327 213 H CB -0.021 29.752 29.762 0.018 0.000 1.383 213 H HN 0.422 nan 8.280 nan 0.000 0.508 214 N N -0.354 118.376 118.700 0.050 0.000 2.270 214 N HA -0.121 4.692 4.740 0.122 0.000 0.181 214 N C 1.687 177.119 175.510 -0.131 0.000 1.016 214 N CA 0.830 53.867 53.050 -0.022 0.000 0.870 214 N CB -0.391 38.095 38.487 -0.002 0.000 0.979 214 N HN 0.347 nan 8.380 nan 0.000 0.431 215 F N 1.163 120.922 119.950 -0.320 0.000 2.134 215 F HA -0.057 4.543 4.527 0.121 0.000 0.299 215 F C 2.228 177.845 175.800 -0.305 0.000 1.097 215 F CA 0.659 58.228 58.000 -0.719 0.000 1.264 215 F CB -0.218 38.159 39.000 -1.038 0.000 1.001 215 F HN -0.035 nan 8.300 nan 0.000 0.479 216 L N -0.450 120.812 121.223 0.066 0.000 2.046 216 L HA -0.236 4.177 4.340 0.122 0.000 0.208 216 L C 2.297 179.259 176.870 0.153 0.000 1.077 216 L CA 1.113 56.028 54.840 0.126 0.000 0.747 216 L CB -0.624 41.531 42.059 0.159 0.000 0.896 216 L HN 0.180 nan 8.230 nan 0.000 0.432 217 L N -1.302 119.976 121.223 0.091 0.000 2.093 217 L HA -0.171 4.242 4.340 0.122 0.000 0.208 217 L C 2.662 179.626 176.870 0.157 0.000 1.085 217 L CA 0.940 55.840 54.840 0.099 0.000 0.755 217 L CB -0.437 41.645 42.059 0.038 0.000 0.904 217 L HN 0.196 nan 8.230 nan 0.000 0.435 218 S N -1.336 114.483 115.700 0.200 0.000 2.368 218 S HA -0.234 4.309 4.470 0.122 0.000 0.224 218 S C 1.882 176.740 174.600 0.429 0.000 1.029 218 S CA 1.319 59.718 58.200 0.331 0.000 0.988 218 S CB -0.369 63.058 63.200 0.379 0.000 0.838 218 S HN 0.542 nan 8.310 nan 0.000 0.462 219 H N 1.933 121.237 119.070 0.390 0.000 2.319 219 H HA -0.007 4.622 4.556 0.121 0.000 0.299 219 H C 2.086 177.530 175.328 0.193 0.000 1.092 219 H CA 1.785 58.036 56.048 0.338 0.000 1.302 219 H CB -0.561 29.385 29.762 0.306 0.000 1.373 219 H HN 0.300 nan 8.280 nan 0.000 0.497 220 A N 0.909 123.811 122.820 0.136 0.000 1.908 220 A HA -0.110 4.284 4.320 0.122 0.000 0.218 220 A C 2.625 180.208 177.584 -0.002 0.000 1.181 220 A CA 1.860 53.912 52.037 0.025 0.000 0.627 220 A CB -1.403 17.630 19.000 0.054 0.000 0.818 220 A HN 0.669 nan 8.150 nan 0.000 0.445 221 A N -0.226 122.635 122.820 0.068 0.000 1.898 221 A HA 0.188 4.581 4.320 0.122 0.000 0.216 221 A C 2.510 180.128 177.584 0.056 0.000 1.181 221 A CA 2.028 54.106 52.037 0.068 0.000 0.620 221 A CB -1.007 18.057 19.000 0.108 0.000 0.819 221 A HN 1.056 nan 8.150 nan 0.000 0.442 222 A N -0.621 122.252 122.820 0.088 0.000 1.902 222 A HA 0.005 4.398 4.320 0.122 0.000 0.217 222 A C 2.227 179.836 177.584 0.042 0.000 1.181 222 A CA 1.803 53.876 52.037 0.060 0.000 0.623 222 A CB -0.866 18.187 19.000 0.088 0.000 0.818 222 A HN 0.376 nan 8.150 nan 0.000 0.443 223 V N -0.214 119.635 119.914 -0.108 0.000 2.358 223 V HA -0.205 3.989 4.120 0.122 0.000 0.246 223 V C 3.053 179.115 176.094 -0.053 0.000 1.047 223 V CA 1.749 63.964 62.300 -0.143 0.000 1.035 223 V CB -1.174 30.483 31.823 -0.276 0.000 0.658 223 V HN 0.611 nan 8.190 nan 0.000 0.452 224 A N 0.422 123.216 122.820 -0.044 0.000 1.908 224 A HA -0.301 4.093 4.320 0.122 0.000 0.218 224 A C 2.297 179.866 177.584 -0.024 0.000 1.181 224 A CA 2.390 54.407 52.037 -0.033 0.000 0.627 224 A CB -0.539 18.447 19.000 -0.023 0.000 0.818 224 A HN 0.473 nan 8.150 nan 0.000 0.445 225 R N -1.464 119.048 120.500 0.019 0.000 2.073 225 R HA -0.157 4.256 4.340 0.122 0.000 0.234 225 R C 1.944 178.276 176.300 0.054 0.000 1.134 225 R CA 2.031 58.162 56.100 0.051 0.000 0.952 225 R CB -1.092 29.282 30.300 0.123 0.000 0.850 225 R HN 0.576 nan 8.270 nan 0.000 0.433 226 Y N 0.842 121.069 120.300 -0.122 0.000 2.128 226 Y HA -0.217 4.408 4.550 0.124 0.000 0.284 226 Y C 2.036 177.788 175.900 -0.246 0.000 1.154 226 Y CA 2.252 60.123 58.100 -0.382 0.000 1.149 226 Y CB -0.125 37.813 38.460 -0.871 0.000 0.976 226 Y HN 0.037 nan 8.280 nan 0.000 0.505 227 R N -0.998 119.404 120.500 -0.163 0.000 2.092 227 R HA -0.104 4.309 4.340 0.122 0.000 0.231 227 R C 2.242 178.405 176.300 -0.228 0.000 1.119 227 R CA 1.855 57.834 56.100 -0.201 0.000 0.970 227 R CB -0.584 29.660 30.300 -0.092 0.000 0.864 227 R HN 0.522 nan 8.270 nan 0.000 0.440 228 T N -1.753 112.688 114.554 -0.188 0.000 3.043 228 T HA 0.024 4.448 4.350 0.122 0.000 0.263 228 T C 1.757 176.304 174.700 -0.256 0.000 1.094 228 T CA 0.732 62.722 62.100 -0.183 0.000 1.127 228 T CB 0.249 69.041 68.868 -0.127 0.000 0.905 228 T HN 0.144 nan 8.240 nan 0.000 0.490 229 K N -1.199 118.987 120.400 -0.357 0.000 2.403 229 K HA 0.249 4.642 4.320 0.122 0.000 0.199 229 K C 0.975 177.102 176.600 -0.788 0.000 1.199 229 K CA -0.037 55.905 56.287 -0.576 0.000 0.924 229 K CB 0.529 32.618 32.500 -0.686 0.000 1.137 229 K HN 0.320 nan 8.250 nan 0.000 0.510 230 Y N 0.168 120.201 120.300 -0.445 0.000 2.535 230 Y HA 0.220 4.845 4.550 0.124 0.000 0.264 230 Y C 2.091 177.592 175.900 -0.665 0.000 1.087 230 Y CA -0.023 57.761 58.100 -0.527 0.000 1.285 230 Y CB 0.273 38.386 38.460 -0.579 0.000 1.200 230 Y HN 0.038 nan 8.280 nan 0.000 0.514 231 Q N 0.692 120.038 119.800 -0.757 0.000 2.119 231 Q HA -0.136 4.277 4.340 0.122 0.000 0.201 231 Q C 2.352 178.180 176.000 -0.286 0.000 0.972 231 Q CA 1.429 56.843 55.803 -0.647 0.000 0.847 231 Q CB -0.091 28.318 28.738 -0.548 0.000 0.903 231 Q HN 0.464 nan 8.270 nan 0.000 0.433 232 A N 0.652 123.329 122.820 -0.239 0.000 1.917 232 A HA -0.211 4.183 4.320 0.122 0.000 0.219 232 A C 2.200 179.716 177.584 -0.113 0.000 1.182 232 A CA 1.945 53.892 52.037 -0.150 0.000 0.633 232 A CB -0.935 17.981 19.000 -0.140 0.000 0.819 232 A HN 0.538 nan 8.150 nan 0.000 0.448 233 A N -1.307 121.443 122.820 -0.117 0.000 1.898 233 A HA -0.076 4.317 4.320 0.122 0.000 0.214 233 A C 2.109 179.670 177.584 -0.039 0.000 1.183 233 A CA 1.434 53.431 52.037 -0.067 0.000 0.622 233 A CB -0.373 18.596 19.000 -0.051 0.000 0.824 233 A HN 0.627 nan 8.150 nan 0.000 0.444 234 Q N -1.724 118.049 119.800 -0.045 0.000 2.302 234 Q HA 0.005 4.418 4.340 0.122 0.000 0.202 234 Q C -0.242 175.771 176.000 0.021 0.000 0.936 234 Q CA 0.339 56.154 55.803 0.019 0.000 0.886 234 Q CB 0.280 29.072 28.738 0.089 0.000 0.986 234 Q HN 0.516 nan 8.270 nan 0.000 0.487 235 Q N -0.696 119.095 119.800 -0.015 0.000 2.468 235 Q HA -0.159 4.254 4.340 0.122 0.000 0.289 235 Q C -0.062 175.943 176.000 0.008 0.000 1.299 235 Q CA 1.017 56.814 55.803 -0.010 0.000 0.838 235 Q CB -1.998 26.727 28.738 -0.021 0.000 1.195 235 Q HN 0.495 nan 8.270 nan 0.000 0.456 236 G N -0.370 108.494 108.800 0.108 0.000 2.795 236 G HA2 0.722 4.755 3.960 0.122 0.000 0.267 236 G HA3 0.722 4.755 3.960 0.122 0.000 0.267 236 G C -0.425 174.491 174.900 0.027 0.000 1.362 236 G CA -0.617 44.499 45.100 0.028 0.000 1.048 236 G HN 0.020 nan 8.290 nan 0.000 0.547 237 K N -1.408 118.893 120.400 -0.165 0.000 2.508 237 K HA 0.618 5.012 4.320 0.122 0.000 0.260 237 K C -1.700 174.665 176.600 -0.392 0.000 0.949 237 K CA -0.689 55.443 56.287 -0.258 0.000 0.834 237 K CB 2.982 35.368 32.500 -0.190 0.000 1.365 237 K HN 0.242 nan 8.250 nan 0.000 0.437 238 V N 1.123 120.717 119.914 -0.534 0.000 2.623 238 V HA 0.599 4.792 4.120 0.122 0.000 0.304 238 V C 0.023 175.813 176.094 -0.507 0.000 1.054 238 V CA -0.695 61.333 62.300 -0.455 0.000 0.882 238 V CB 1.614 33.152 31.823 -0.475 0.000 1.002 238 V HN 1.007 nan 8.190 nan 0.000 0.424 239 G N 3.019 111.582 108.800 -0.395 0.000 3.209 239 G HA2 0.897 4.930 3.960 0.122 0.000 0.236 239 G HA3 0.897 4.930 3.960 0.122 0.000 0.236 239 G C -1.401 173.717 174.900 0.364 0.000 1.329 239 G CA -0.687 44.363 45.100 -0.085 0.000 1.015 239 G HN 0.700 nan 8.290 nan 0.000 0.571 240 I N -0.955 119.865 120.570 0.416 0.000 2.827 240 I HA 0.556 4.799 4.170 0.122 0.000 0.298 240 I C -1.350 174.857 176.117 0.149 0.000 1.235 240 I CA -0.909 60.530 61.300 0.232 0.000 1.021 240 I CB 2.381 40.277 38.000 -0.173 0.000 1.259 240 I HN 0.288 nan 8.210 nan 0.000 0.427 241 V N 7.286 127.165 119.914 -0.059 0.000 2.398 241 V HA 0.516 4.710 4.120 0.122 0.000 0.286 241 V C -0.378 175.574 176.094 -0.237 0.000 1.026 241 V CA -0.424 61.739 62.300 -0.227 0.000 0.868 241 V CB 1.469 33.033 31.823 -0.432 0.000 0.982 241 V HN 0.445 nan 8.190 nan 0.000 0.443 242 L N 4.820 125.942 121.223 -0.169 0.000 2.386 242 L HA 0.573 4.986 4.340 0.122 0.000 0.271 242 L C -0.375 176.486 176.870 -0.015 0.000 0.993 242 L CA -0.829 53.913 54.840 -0.164 0.000 0.819 242 L CB 2.241 44.229 42.059 -0.118 0.000 1.294 242 L HN 0.680 nan 8.230 nan 0.000 0.414 243 D N 1.635 122.054 120.400 0.032 0.000 2.345 243 D HA 0.267 4.980 4.640 0.122 0.000 0.247 243 D C -1.056 175.548 176.300 0.506 0.000 1.108 243 D CA -0.068 54.063 54.000 0.219 0.000 0.894 243 D CB 2.380 43.304 40.800 0.207 0.000 1.203 243 D HN 0.192 nan 8.370 nan 0.000 0.430 244 F N 1.761 121.843 119.950 0.220 0.000 2.689 244 F HA 0.319 4.918 4.527 0.121 0.000 0.332 244 F C -1.653 174.153 175.800 0.009 0.000 1.209 244 F CA -1.202 56.842 58.000 0.073 0.000 1.028 244 F CB 1.240 40.325 39.000 0.140 0.000 1.291 244 F HN 0.250 nan 8.300 nan 0.000 0.500 245 N N 4.291 122.864 118.700 -0.211 0.000 2.384 245 N HA 0.191 5.004 4.740 0.122 0.000 0.301 245 N C -1.020 174.076 175.510 -0.691 0.000 1.133 245 N CA -0.418 52.453 53.050 -0.298 0.000 0.853 245 N CB 2.345 40.837 38.487 0.009 0.000 1.241 245 N HN 0.729 nan 8.380 nan 0.000 0.502 246 W N 2.075 122.923 121.300 -0.752 0.000 2.202 246 W HA 0.246 4.978 4.660 0.120 0.000 0.332 246 W C -1.211 174.883 176.519 -0.708 0.000 1.263 246 W CA -0.159 56.764 57.345 -0.704 0.000 1.223 246 W CB 0.508 29.698 29.460 -0.449 0.000 1.128 246 W HN 0.457 nan 8.180 nan 0.000 0.573 247 Y N 3.308 122.907 120.300 -1.168 0.000 2.350 247 Y HA 0.185 4.808 4.550 0.122 0.000 0.338 247 Y C -0.411 174.821 175.900 -1.114 0.000 0.961 247 Y CA -0.915 56.672 58.100 -0.857 0.000 1.100 247 Y CB 1.887 40.032 38.460 -0.525 0.000 1.179 247 Y HN 0.361 nan 8.280 nan 0.000 0.454 248 E N 2.235 122.250 120.200 -0.309 0.000 2.199 248 E HA 0.719 5.142 4.350 0.122 0.000 0.265 248 E C -1.031 175.664 176.600 0.159 0.000 0.882 248 E CA -0.740 55.688 56.400 0.048 0.000 0.759 248 E CB 1.328 31.298 29.700 0.451 0.000 1.148 248 E HN 0.708 nan 8.360 nan 0.000 0.412 249 A N 4.258 127.145 122.820 0.112 0.000 2.511 249 A HA 0.071 4.464 4.320 0.122 0.000 0.242 249 A C 0.883 178.536 177.584 0.116 0.000 1.069 249 A CA -0.185 51.901 52.037 0.081 0.000 0.763 249 A CB 0.165 19.194 19.000 0.048 0.000 1.001 249 A HN 0.872 nan 8.150 nan 0.000 0.498 250 L N 2.856 124.109 121.223 0.051 0.000 2.131 250 L HA 0.004 4.417 4.340 0.122 0.000 0.210 250 L C 1.270 178.089 176.870 -0.084 0.000 1.092 250 L CA 2.542 57.347 54.840 -0.058 0.000 0.759 250 L CB -0.495 41.516 42.059 -0.080 0.000 0.903 250 L HN 0.950 nan 8.230 nan 0.000 0.435 251 S N -2.771 112.909 115.700 -0.034 0.000 2.732 251 S HA 0.300 4.843 4.470 0.122 0.000 0.293 251 S C 0.239 174.838 174.600 -0.002 0.000 1.159 251 S CA -0.404 57.779 58.200 -0.029 0.000 0.847 251 S CB 0.809 63.988 63.200 -0.035 0.000 1.169 251 S HN 0.085 nan 8.310 nan 0.000 0.501 252 N N 1.298 119.998 118.700 -0.000 0.000 2.370 252 N HA 0.131 4.944 4.740 0.122 0.000 0.198 252 N C 0.412 175.927 175.510 0.008 0.000 1.156 252 N CA 0.301 53.358 53.050 0.012 0.000 0.839 252 N CB -0.265 38.229 38.487 0.012 0.000 0.989 252 N HN 0.725 nan 8.380 nan 0.000 0.468 253 S N -1.799 113.901 115.700 0.000 0.000 2.573 253 S HA 0.010 4.553 4.470 0.122 0.000 0.277 253 S C 1.416 176.018 174.600 0.002 0.000 1.346 253 S CA -0.099 58.100 58.200 -0.001 0.000 1.034 253 S CB 0.798 63.993 63.200 -0.008 0.000 0.879 253 S HN 0.223 nan 8.310 nan 0.000 0.528 254 T N 2.226 116.781 114.554 0.003 0.000 2.665 254 T HA -0.131 4.292 4.350 0.122 0.000 0.268 254 T C 1.704 176.404 174.700 0.000 0.000 1.035 254 T CA 1.795 63.898 62.100 0.005 0.000 1.151 254 T CB -0.430 68.440 68.868 0.004 0.000 0.862 254 T HN 0.729 nan 8.240 nan 0.000 0.438 255 E N 1.166 121.362 120.200 -0.006 0.000 2.072 255 E HA -0.133 4.290 4.350 0.122 0.000 0.191 255 E C 2.062 178.651 176.600 -0.019 0.000 0.985 255 E CA 1.113 57.506 56.400 -0.013 0.000 0.801 255 E CB -0.313 29.378 29.700 -0.015 0.000 0.750 255 E HN 0.494 nan 8.360 nan 0.000 0.452 256 D N 0.781 121.171 120.400 -0.017 0.000 2.144 256 D HA -0.121 4.592 4.640 0.122 0.000 0.200 256 D C 2.042 178.332 176.300 -0.016 0.000 0.978 256 D CA 0.765 54.752 54.000 -0.022 0.000 0.833 256 D CB -0.157 40.633 40.800 -0.017 0.000 0.961 256 D HN 0.092 nan 8.370 nan 0.000 0.470 257 Q N 0.334 120.133 119.800 -0.001 0.000 2.084 257 Q HA -0.041 4.373 4.340 0.122 0.000 0.202 257 Q C 2.196 178.196 176.000 -0.001 0.000 0.978 257 Q CA 1.147 56.956 55.803 0.011 0.000 0.844 257 Q CB -0.356 28.399 28.738 0.029 0.000 0.898 257 Q HN 0.258 nan 8.270 nan 0.000 0.426 258 A N 1.091 123.908 122.820 -0.005 0.000 1.902 258 A HA -0.066 4.327 4.320 0.122 0.000 0.217 258 A C 2.350 179.914 177.584 -0.034 0.000 1.181 258 A CA 1.789 53.820 52.037 -0.009 0.000 0.623 258 A CB -0.637 18.360 19.000 -0.005 0.000 0.818 258 A HN 0.361 nan 8.150 nan 0.000 0.443 259 A N -0.005 122.785 122.820 -0.051 0.000 1.883 259 A HA 0.115 4.509 4.320 0.122 0.000 0.217 259 A C 2.520 180.023 177.584 -0.135 0.000 1.186 259 A CA 2.251 54.235 52.037 -0.089 0.000 0.624 259 A CB -1.078 17.866 19.000 -0.093 0.000 0.822 259 A HN 1.087 nan 8.150 nan 0.000 0.444 260 A N -1.193 121.557 122.820 -0.118 0.000 1.933 260 A HA -0.178 4.216 4.320 0.122 0.000 0.218 260 A C 2.151 179.625 177.584 -0.183 0.000 1.175 260 A CA 2.129 54.068 52.037 -0.163 0.000 0.628 260 A CB -0.460 18.471 19.000 -0.116 0.000 0.814 260 A HN 0.539 nan 8.150 nan 0.000 0.444 261 Q N -0.056 119.684 119.800 -0.099 0.000 2.123 261 Q HA -0.053 4.360 4.340 0.122 0.000 0.199 261 Q C 2.148 178.109 176.000 -0.064 0.000 0.966 261 Q CA 1.581 57.353 55.803 -0.051 0.000 0.845 261 Q CB -0.304 28.451 28.738 0.028 0.000 0.907 261 Q HN 0.641 nan 8.270 nan 0.000 0.439 262 R N -0.469 119.988 120.500 -0.073 0.000 2.091 262 R HA -0.102 4.311 4.340 0.122 0.000 0.238 262 R C 2.187 178.380 176.300 -0.179 0.000 1.136 262 R CA 1.222 57.298 56.100 -0.040 0.000 0.959 262 R CB -0.520 29.768 30.300 -0.021 0.000 0.856 262 R HN 0.356 nan 8.270 nan 0.000 0.437 263 A N 1.291 123.891 122.820 -0.365 0.000 1.877 263 A HA -0.201 4.192 4.320 0.122 0.000 0.216 263 A C 2.132 179.362 177.584 -0.591 0.000 1.186 263 A CA 1.365 52.955 52.037 -0.745 0.000 0.620 263 A CB -0.405 17.946 19.000 -1.082 0.000 0.822 263 A HN 0.252 nan 8.150 nan 0.000 0.443 264 R N -0.328 120.013 120.500 -0.265 0.000 2.083 264 R HA -0.135 4.278 4.340 0.122 0.000 0.237 264 R C 1.745 178.048 176.300 0.005 0.000 1.137 264 R CA 1.573 57.668 56.100 -0.009 0.000 0.951 264 R CB -0.464 29.735 30.300 -0.170 0.000 0.851 264 R HN 0.485 nan 8.270 nan 0.000 0.434 265 D N 0.040 120.422 120.400 -0.030 0.000 2.117 265 D HA -0.141 4.572 4.640 0.122 0.000 0.197 265 D C 1.669 177.868 176.300 -0.168 0.000 0.987 265 D CA 1.243 55.223 54.000 -0.033 0.000 0.829 265 D CB -0.189 40.574 40.800 -0.062 0.000 0.961 265 D HN 0.124 nan 8.370 nan 0.000 0.460 266 F N -0.290 119.367 119.950 -0.488 0.000 2.407 266 F HA -0.044 4.556 4.527 0.121 0.000 0.299 266 F C 2.314 177.952 175.800 -0.271 0.000 1.097 266 F CA 0.841 58.427 58.000 -0.691 0.000 1.422 266 F CB -0.103 37.843 39.000 -1.758 0.000 1.067 266 F HN 0.118 nan 8.300 nan 0.000 0.539 267 H N -1.442 117.574 119.070 -0.090 0.000 2.316 267 H HA 0.017 4.646 4.556 0.121 0.000 0.314 267 H C 1.952 177.510 175.328 0.385 0.000 1.057 267 H CA 1.325 57.575 56.048 0.338 0.000 1.402 267 H CB 0.097 30.161 29.762 0.504 0.000 1.443 267 H HN 0.076 nan 8.280 nan 0.000 0.559 268 I N 0.035 120.824 120.570 0.366 0.000 3.172 268 I HA 0.203 4.446 4.170 0.122 0.000 0.278 268 I C 2.328 178.534 176.117 0.149 0.000 1.174 268 I CA 1.078 62.458 61.300 0.134 0.000 1.445 268 I CB -0.307 37.348 38.000 -0.575 0.000 1.175 268 I HN 0.384 nan 8.210 nan 0.000 0.447 269 G N 0.079 108.977 108.800 0.163 0.000 2.450 269 G HA2 -0.316 3.717 3.960 0.122 0.000 0.220 269 G HA3 -0.316 3.717 3.960 0.122 0.000 0.220 269 G C 1.482 176.490 174.900 0.179 0.000 1.130 269 G CA 0.720 45.935 45.100 0.191 0.000 0.760 269 G HN 0.497 nan 8.290 nan 0.000 0.557 270 W N 1.018 122.272 121.300 -0.076 0.000 2.290 270 W HA -0.186 4.548 4.660 0.123 0.000 0.311 270 W C 1.937 178.224 176.519 -0.386 0.000 1.238 270 W CA 1.392 58.599 57.345 -0.230 0.000 1.255 270 W CB -0.588 28.657 29.460 -0.357 0.000 1.145 270 W HN 0.408 nan 8.180 nan 0.000 0.506 271 Y N -2.073 118.317 120.300 0.151 0.000 2.500 271 Y HA 0.104 4.730 4.550 0.126 0.000 0.284 271 Y C 2.493 178.311 175.900 -0.137 0.000 1.118 271 Y CA 0.659 58.718 58.100 -0.068 0.000 1.241 271 Y CB -0.909 37.444 38.460 -0.179 0.000 1.171 271 Y HN -0.273 nan 8.280 nan 0.000 0.540 272 L N -0.111 121.071 121.223 -0.068 0.000 2.109 272 L HA -0.165 4.248 4.340 0.122 0.000 0.207 272 L C 1.683 178.349 176.870 -0.340 0.000 1.086 272 L CA 1.191 55.818 54.840 -0.354 0.000 0.760 272 L CB -0.294 41.284 42.059 -0.801 0.000 0.910 272 L HN 0.307 nan 8.230 nan 0.000 0.437 273 D N -0.035 120.279 120.400 -0.143 0.000 2.117 273 D HA -0.127 4.586 4.640 0.122 0.000 0.197 273 D C -0.520 175.602 176.300 -0.297 0.000 0.987 273 D CA 1.339 55.263 54.000 -0.127 0.000 0.829 273 D CB -0.993 39.782 40.800 -0.040 0.000 0.961 273 D HN 0.260 nan 8.370 nan 0.000 0.460 274 P HA -0.092 nan 4.420 nan 0.000 0.215 274 P C 1.812 178.919 177.300 -0.322 0.000 1.157 274 P CA 0.822 63.689 63.100 -0.388 0.000 0.868 274 P CB -0.038 31.415 31.700 -0.411 0.000 0.788 275 L N -1.670 119.414 121.223 -0.233 0.000 2.141 275 L HA -0.120 4.293 4.340 0.122 0.000 0.209 275 L C 2.083 178.861 176.870 -0.153 0.000 1.094 275 L CA 1.109 55.840 54.840 -0.182 0.000 0.763 275 L CB -0.474 41.489 42.059 -0.161 0.000 0.908 275 L HN -0.012 nan 8.230 nan 0.000 0.437 276 I N -1.123 119.350 120.570 -0.161 0.000 3.039 276 I HA -0.012 4.231 4.170 0.122 0.000 0.270 276 I C 1.372 177.447 176.117 -0.071 0.000 1.150 276 I CA 0.839 62.088 61.300 -0.086 0.000 1.448 276 I CB -0.584 37.394 38.000 -0.038 0.000 1.197 276 I HN 0.268 nan 8.210 nan 0.000 0.450 277 N N 0.635 119.254 118.700 -0.134 0.000 2.220 277 N HA 0.123 4.936 4.740 0.122 0.000 0.195 277 N C 1.331 176.739 175.510 -0.170 0.000 1.123 277 N CA 0.912 53.876 53.050 -0.143 0.000 0.874 277 N CB 1.075 39.432 38.487 -0.216 0.000 0.995 277 N HN 0.375 nan 8.380 nan 0.000 0.498 278 G N 1.426 110.077 108.800 -0.248 0.000 2.147 278 G HA2 -0.257 3.776 3.960 0.122 0.000 0.244 278 G HA3 -0.257 3.776 3.960 0.122 0.000 0.244 278 G C -0.305 174.499 174.900 -0.160 0.000 1.005 278 G CA 0.950 45.911 45.100 -0.231 0.000 0.713 278 G HN 0.740 nan 8.290 nan 0.000 0.515 279 H N -3.526 115.459 119.070 -0.142 0.000 3.042 279 H HA 0.667 5.297 4.556 0.123 0.000 0.346 279 H C -0.547 174.785 175.328 0.007 0.000 1.294 279 H CA -1.666 54.357 56.048 -0.042 0.000 1.141 279 H CB 0.254 30.039 29.762 0.038 0.000 1.872 279 H HN 0.070 nan 8.280 nan 0.000 0.541 280 Y N 0.787 121.291 120.300 0.341 0.000 2.426 280 Y HA 0.249 4.872 4.550 0.121 0.000 0.344 280 Y C -1.930 174.122 175.900 0.254 0.000 1.256 280 Y CA -1.930 56.311 58.100 0.236 0.000 1.451 280 Y CB 0.086 38.660 38.460 0.190 0.000 1.342 280 Y HN 0.564 nan 8.280 nan 0.000 0.600 281 P HA -0.061 nan 4.420 nan 0.000 0.265 281 P C 0.213 177.571 177.300 0.098 0.000 1.187 281 P CA 0.157 63.360 63.100 0.171 0.000 0.766 281 P CB 0.692 32.389 31.700 -0.005 0.000 0.820 282 Q N 3.286 123.139 119.800 0.089 0.000 2.112 282 Q HA -0.199 4.214 4.340 0.122 0.000 0.206 282 Q C 1.580 177.559 176.000 -0.034 0.000 0.987 282 Q CA 1.862 57.673 55.803 0.013 0.000 0.858 282 Q CB -1.121 27.615 28.738 -0.003 0.000 0.905 282 Q HN 0.415 nan 8.270 nan 0.000 0.420 283 I N -0.474 120.064 120.570 -0.053 0.000 2.286 283 I HA -0.229 4.014 4.170 0.122 0.000 0.248 283 I C 1.862 177.888 176.117 -0.151 0.000 1.115 283 I CA 1.430 62.694 61.300 -0.060 0.000 1.392 283 I CB -0.173 37.819 38.000 -0.013 0.000 1.065 283 I HN 0.323 nan 8.210 nan 0.000 0.418 284 M N -0.921 118.457 119.600 -0.369 0.000 2.132 284 M HA -0.228 4.326 4.480 0.122 0.000 0.263 284 M C 2.237 178.364 176.300 -0.288 0.000 1.065 284 M CA 1.633 56.605 55.300 -0.548 0.000 1.122 284 M CB -0.554 31.570 32.600 -0.793 0.000 1.365 284 M HN 0.261 nan 8.290 nan 0.000 0.411 285 Q N 0.455 120.156 119.800 -0.165 0.000 2.096 285 Q HA -0.201 4.213 4.340 0.122 0.000 0.204 285 Q C 1.563 177.510 176.000 -0.087 0.000 0.982 285 Q CA 1.390 57.133 55.803 -0.100 0.000 0.850 285 Q CB -0.214 28.512 28.738 -0.020 0.000 0.901 285 Q HN 0.484 nan 8.270 nan 0.000 0.422 286 D N 0.227 120.589 120.400 -0.063 0.000 2.144 286 D HA -0.079 4.634 4.640 0.122 0.000 0.200 286 D C 1.809 178.094 176.300 -0.026 0.000 0.978 286 D CA 0.995 54.973 54.000 -0.036 0.000 0.833 286 D CB 0.075 40.864 40.800 -0.018 0.000 0.961 286 D HN 0.212 nan 8.370 nan 0.000 0.470 287 L N -0.322 120.896 121.223 -0.009 0.000 2.357 287 L HA 0.047 4.460 4.340 0.122 0.000 0.211 287 L C 2.090 178.956 176.870 -0.006 0.000 1.075 287 L CA 0.241 55.102 54.840 0.035 0.000 0.830 287 L CB 0.307 42.459 42.059 0.155 0.000 0.996 287 L HN -0.115 nan 8.230 nan 0.000 0.467 288 V N -1.056 118.808 119.914 -0.084 0.000 2.992 288 V HA 0.005 4.198 4.120 0.122 0.000 0.250 288 V C 1.220 177.185 176.094 -0.214 0.000 1.090 288 V CA 0.421 62.596 62.300 -0.207 0.000 1.101 288 V CB -0.180 31.348 31.823 -0.492 0.000 0.743 288 V HN 0.390 nan 8.190 nan 0.000 0.468 289 K N -0.237 120.064 120.400 -0.166 0.000 1.779 289 K HA -0.323 4.071 4.320 0.122 0.000 0.128 289 K C 0.828 177.342 176.600 -0.143 0.000 1.288 289 K CA 1.786 58.001 56.287 -0.121 0.000 0.398 289 K CB -1.372 31.080 32.500 -0.079 0.000 0.609 289 K HN 0.275 nan 8.250 nan 0.000 0.874 290 D N 0.810 121.144 120.400 -0.109 0.000 2.363 290 D HA -0.001 4.712 4.640 0.122 0.000 0.220 290 D C 1.615 177.839 176.300 -0.127 0.000 0.994 290 D CA 0.786 54.724 54.000 -0.103 0.000 0.890 290 D CB -0.042 40.718 40.800 -0.065 0.000 0.906 290 D HN 0.232 nan 8.370 nan 0.000 0.530 291 R N -0.276 120.126 120.500 -0.163 0.000 2.276 291 R HA 0.054 4.467 4.340 0.122 0.000 0.203 291 R C 0.317 176.426 176.300 -0.318 0.000 1.017 291 R CA -0.073 55.919 56.100 -0.179 0.000 1.010 291 R CB 0.166 30.377 30.300 -0.148 0.000 0.900 291 R HN 0.038 nan 8.270 nan 0.000 0.469 292 L N 2.301 123.280 121.223 -0.407 0.000 2.260 292 L HA 0.320 4.734 4.340 0.122 0.000 0.289 292 L C -2.406 174.277 176.870 -0.313 0.000 1.057 292 L CA -2.430 52.127 54.840 -0.473 0.000 0.811 292 L CB 0.904 42.631 42.059 -0.553 0.000 1.184 292 L HN -0.207 nan 8.230 nan 0.000 0.429 293 P HA 0.131 nan 4.420 nan 0.000 0.269 293 P C -1.362 175.731 177.300 -0.346 0.000 1.217 293 P CA -0.091 62.724 63.100 -0.474 0.000 0.783 293 P CB 0.462 31.536 31.700 -1.044 0.000 0.898 294 K N 1.664 121.916 120.400 -0.247 0.000 2.274 294 K HA 0.426 4.819 4.320 0.122 0.000 0.262 294 K C -0.664 175.935 176.600 -0.002 0.000 0.961 294 K CA -0.310 55.949 56.287 -0.047 0.000 0.833 294 K CB 0.270 32.777 32.500 0.013 0.000 1.102 294 K HN 0.237 nan 8.250 nan 0.000 0.436 295 F N 1.679 121.772 119.950 0.238 0.000 2.529 295 F HA 0.033 4.633 4.527 0.121 0.000 0.365 295 F C 1.529 177.386 175.800 0.096 0.000 1.102 295 F CA -0.142 57.962 58.000 0.173 0.000 1.271 295 F CB 0.238 39.272 39.000 0.057 0.000 1.120 295 F HN 0.493 nan 8.300 nan 0.000 0.579 296 T N 1.178 115.892 114.554 0.267 0.000 2.802 296 T HA 0.134 4.557 4.350 0.122 0.000 0.305 296 T C -1.825 172.962 174.700 0.145 0.000 1.053 296 T CA -1.436 60.762 62.100 0.163 0.000 1.058 296 T CB 0.981 69.920 68.868 0.118 0.000 0.988 296 T HN 0.313 nan 8.240 nan 0.000 0.539 297 P HA -0.093 nan 4.420 nan 0.000 0.216 297 P C 1.272 178.595 177.300 0.038 0.000 1.153 297 P CA 1.124 64.259 63.100 0.059 0.000 0.858 297 P CB 0.036 31.761 31.700 0.042 0.000 0.789 298 E N -0.586 119.641 120.200 0.044 0.000 2.072 298 E HA -0.174 4.249 4.350 0.122 0.000 0.191 298 E C 2.180 178.795 176.600 0.024 0.000 0.985 298 E CA 1.164 57.581 56.400 0.028 0.000 0.801 298 E CB -0.797 28.921 29.700 0.031 0.000 0.750 298 E HN 0.379 nan 8.360 nan 0.000 0.452 299 Q N -0.006 119.834 119.800 0.067 0.000 2.079 299 Q HA -0.070 4.344 4.340 0.122 0.000 0.200 299 Q C 2.245 178.205 176.000 -0.066 0.000 0.974 299 Q CA 1.385 57.235 55.803 0.078 0.000 0.840 299 Q CB -0.237 28.651 28.738 0.251 0.000 0.898 299 Q HN 0.317 nan 8.270 nan 0.000 0.430 300 A N 1.107 123.875 122.820 -0.087 0.000 1.940 300 A HA -0.231 4.162 4.320 0.122 0.000 0.219 300 A C 2.047 179.507 177.584 -0.207 0.000 1.176 300 A CA 1.733 53.594 52.037 -0.293 0.000 0.631 300 A CB -0.417 18.501 19.000 -0.136 0.000 0.814 300 A HN 0.127 nan 8.150 nan 0.000 0.446 301 R N -0.729 119.711 120.500 -0.100 0.000 2.148 301 R HA 0.006 4.419 4.340 0.122 0.000 0.227 301 R C 1.753 178.006 176.300 -0.079 0.000 1.103 301 R CA 1.231 57.286 56.100 -0.075 0.000 0.983 301 R CB -0.764 29.514 30.300 -0.038 0.000 0.874 301 R HN 0.419 nan 8.270 nan 0.000 0.451 302 L N -0.608 120.569 121.223 -0.077 0.000 2.109 302 L HA -0.024 4.390 4.340 0.122 0.000 0.207 302 L C 1.879 178.700 176.870 -0.081 0.000 1.086 302 L CA 1.298 56.101 54.840 -0.061 0.000 0.760 302 L CB -0.175 41.865 42.059 -0.032 0.000 0.910 302 L HN 0.028 nan 8.230 nan 0.000 0.437 303 V N -0.898 118.921 119.914 -0.157 0.000 2.407 303 V HA -0.148 4.045 4.120 0.122 0.000 0.245 303 V C 1.367 177.365 176.094 -0.160 0.000 1.041 303 V CA 0.698 62.888 62.300 -0.183 0.000 1.040 303 V CB -0.565 30.992 31.823 -0.443 0.000 0.671 303 V HN 0.309 nan 8.190 nan 0.000 0.455 304 K N 0.630 120.915 120.400 -0.192 0.000 2.472 304 K HA 0.219 4.612 4.320 0.122 0.000 0.280 304 K C 1.082 177.633 176.600 -0.082 0.000 1.028 304 K CA 0.883 57.085 56.287 -0.142 0.000 1.045 304 K CB 0.131 32.556 32.500 -0.125 0.000 0.902 304 K HN 0.492 nan 8.250 nan 0.000 0.478 305 G N 2.450 111.211 108.800 -0.064 0.000 2.162 305 G HA2 -0.314 3.720 3.960 0.122 0.000 0.260 305 G HA3 -0.314 3.720 3.960 0.122 0.000 0.260 305 G C 0.496 175.380 174.900 -0.026 0.000 0.976 305 G CA 0.700 45.776 45.100 -0.040 0.000 0.655 305 G HN 0.769 nan 8.290 nan 0.000 0.533 306 S N -1.103 114.597 115.700 -0.001 0.000 2.593 306 S HA 0.669 5.212 4.470 0.122 0.000 0.217 306 S C 0.944 175.634 174.600 0.150 0.000 0.966 306 S CA 1.046 59.276 58.200 0.051 0.000 0.914 306 S CB 0.596 63.851 63.200 0.092 0.000 0.776 306 S HN 1.871 nan 8.310 nan 0.000 0.523 307 A N 0.972 123.835 122.820 0.072 0.000 2.304 307 A HA 0.593 4.986 4.320 0.122 0.000 0.314 307 A C 0.222 177.739 177.584 -0.111 0.000 1.187 307 A CA -0.694 51.354 52.037 0.018 0.000 0.810 307 A CB 0.876 19.871 19.000 -0.008 0.000 1.183 307 A HN 0.144 nan 8.150 nan 0.000 0.487 308 D N 0.525 120.748 120.400 -0.296 0.000 2.277 308 D HA 0.079 4.792 4.640 0.122 0.000 0.208 308 D C -0.288 175.856 176.300 -0.260 0.000 0.962 308 D CA 1.958 55.757 54.000 -0.335 0.000 0.865 308 D CB -0.021 40.489 40.800 -0.483 0.000 0.939 308 D HN 0.657 nan 8.370 nan 0.000 0.510 309 Y N -1.795 118.535 120.300 0.051 0.000 2.624 309 Y HA 0.470 5.093 4.550 0.122 0.000 0.334 309 Y C -1.156 174.821 175.900 0.128 0.000 1.155 309 Y CA -1.618 56.538 58.100 0.092 0.000 1.046 309 Y CB 0.767 39.298 38.460 0.118 0.000 1.316 309 Y HN -0.367 nan 8.280 nan 0.000 0.457 310 I N 2.496 123.283 120.570 0.361 0.000 2.355 310 I HA 0.465 4.709 4.170 0.122 0.000 0.288 310 I C 0.590 176.874 176.117 0.280 0.000 0.999 310 I CA -0.607 60.843 61.300 0.250 0.000 1.163 310 I CB 1.067 39.137 38.000 0.118 0.000 1.316 310 I HN 0.947 nan 8.210 nan 0.000 0.454 311 G N 7.413 116.380 108.800 0.278 0.000 2.380 311 G HA2 0.492 4.525 3.960 0.122 0.000 0.262 311 G HA3 0.492 4.525 3.960 0.122 0.000 0.262 311 G C -0.285 174.628 174.900 0.021 0.000 1.243 311 G CA -0.268 44.882 45.100 0.083 0.000 0.865 311 G HN 0.403 nan 8.290 nan 0.000 0.513 312 I N 2.455 123.053 120.570 0.048 0.000 2.389 312 I HA 0.228 4.472 4.170 0.122 0.000 0.288 312 I C -0.805 175.332 176.117 0.033 0.000 0.999 312 I CA -1.239 60.115 61.300 0.091 0.000 1.129 312 I CB 1.680 39.798 38.000 0.196 0.000 1.288 312 I HN 0.302 nan 8.210 nan 0.000 0.444 313 N N 5.876 124.582 118.700 0.012 0.000 2.426 313 N HA 0.258 5.071 4.740 0.122 0.000 0.257 313 N C -0.351 175.148 175.510 -0.019 0.000 1.002 313 N CA -0.237 52.776 53.050 -0.061 0.000 0.942 313 N CB 1.411 39.856 38.487 -0.071 0.000 1.112 313 N HN 0.413 nan 8.380 nan 0.000 0.499 314 Q N 2.453 122.173 119.800 -0.133 0.000 2.321 314 Q HA 0.286 4.699 4.340 0.122 0.000 0.270 314 Q C -0.834 175.095 176.000 -0.119 0.000 1.032 314 Q CA -0.349 55.444 55.803 -0.017 0.000 0.784 314 Q CB 1.167 29.954 28.738 0.082 0.000 1.264 314 Q HN 0.653 nan 8.270 nan 0.000 0.448 315 Y N 0.744 121.230 120.300 0.311 0.000 2.652 315 Y HA 0.237 4.858 4.550 0.118 0.000 0.274 315 Y C 1.025 177.194 175.900 0.447 0.000 1.148 315 Y CA 0.151 58.504 58.100 0.421 0.000 1.219 315 Y CB 1.601 40.395 38.460 0.557 0.000 1.337 315 Y HN 0.522 nan 8.280 nan 0.000 0.490 316 T N -0.696 114.143 114.554 0.475 0.000 2.645 316 T HA 0.825 5.249 4.350 0.122 0.000 0.300 316 T C -1.893 172.856 174.700 0.082 0.000 1.210 316 T CA -0.100 62.200 62.100 0.333 0.000 1.034 316 T CB 1.312 70.469 68.868 0.481 0.000 1.537 316 T HN 0.116 nan 8.240 nan 0.000 0.492 317 A N 0.686 123.494 122.820 -0.021 0.000 2.587 317 A HA 0.834 5.228 4.320 0.122 0.000 0.293 317 A C -1.148 176.321 177.584 -0.191 0.000 1.087 317 A CA -0.552 51.362 52.037 -0.205 0.000 0.692 317 A CB 1.797 20.531 19.000 -0.443 0.000 1.291 317 A HN 0.767 nan 8.150 nan 0.000 0.407 318 S N -0.340 115.198 115.700 -0.271 0.000 2.549 318 S HA 0.663 5.206 4.470 0.122 0.000 0.280 318 S C -1.440 172.985 174.600 -0.292 0.000 1.109 318 S CA -0.362 57.685 58.200 -0.256 0.000 0.905 318 S CB 0.840 64.037 63.200 -0.005 0.000 1.081 318 S HN 0.478 nan 8.310 nan 0.000 0.477 319 Y N 1.690 121.899 120.300 -0.151 0.000 2.301 319 Y HA 0.524 5.148 4.550 0.124 0.000 0.328 319 Y C 0.583 176.383 175.900 -0.167 0.000 1.242 319 Y CA -0.469 57.575 58.100 -0.093 0.000 1.323 319 Y CB 0.562 38.981 38.460 -0.069 0.000 1.266 319 Y HN 0.315 nan 8.280 nan 0.000 0.527 320 M N 2.620 122.255 119.600 0.059 0.000 2.393 320 M HA 0.332 4.886 4.480 0.122 0.000 0.299 320 M C -0.915 175.351 176.300 -0.057 0.000 1.103 320 M CA -0.902 54.348 55.300 -0.084 0.000 0.910 320 M CB 2.284 34.803 32.600 -0.136 0.000 1.659 320 M HN 0.618 nan 8.290 nan 0.000 0.445 321 K N 0.771 121.119 120.400 -0.086 0.000 2.259 321 K HA 0.848 5.241 4.320 0.122 0.000 0.252 321 K C -0.522 176.036 176.600 -0.070 0.000 0.936 321 K CA -0.439 55.812 56.287 -0.060 0.000 0.810 321 K CB 2.249 34.722 32.500 -0.046 0.000 1.143 321 K HN 0.882 nan 8.250 nan 0.000 0.427 322 G N 1.712 110.480 108.800 -0.053 0.000 2.680 322 G HA2 0.461 4.494 3.960 0.122 0.000 0.290 322 G HA3 0.461 4.494 3.960 0.122 0.000 0.290 322 G C -1.580 173.298 174.900 -0.035 0.000 1.355 322 G CA -0.500 44.569 45.100 -0.051 0.000 0.903 322 G HN 0.567 nan 8.290 nan 0.000 0.474 323 Q N -0.652 119.128 119.800 -0.033 0.000 2.943 323 Q HA 0.425 4.838 4.340 0.122 0.000 0.328 323 Q C -0.930 175.057 176.000 -0.021 0.000 0.934 323 Q CA -0.938 54.850 55.803 -0.024 0.000 0.782 323 Q CB 0.487 29.213 28.738 -0.022 0.000 1.470 323 Q HN 0.461 nan 8.270 nan 0.000 0.503 324 Q N 0.959 120.749 119.800 -0.017 0.000 2.337 324 Q HA 0.227 4.640 4.340 0.122 0.000 0.270 324 Q C -0.454 175.537 176.000 -0.016 0.000 1.002 324 Q CA 0.090 55.884 55.803 -0.014 0.000 0.888 324 Q CB 0.303 29.035 28.738 -0.011 0.000 1.222 324 Q HN 0.572 nan 8.270 nan 0.000 0.400 325 L N 5.321 126.535 121.223 -0.013 0.000 2.453 325 L HA 0.110 4.524 4.340 0.122 0.000 0.272 325 L C 0.566 177.429 176.870 -0.012 0.000 1.182 325 L CA 0.385 55.217 54.840 -0.014 0.000 0.858 325 L CB 0.156 42.211 42.059 -0.007 0.000 1.120 325 L HN 0.575 nan 8.230 nan 0.000 0.474 326 M N 1.744 121.335 119.600 -0.015 0.000 2.530 326 M HA 0.470 5.023 4.480 0.122 0.000 0.307 326 M C -0.804 175.488 176.300 -0.012 0.000 1.161 326 M CA -1.092 54.200 55.300 -0.013 0.000 0.903 326 M CB 1.873 34.465 32.600 -0.014 0.000 1.711 326 M HN 0.329 nan 8.290 nan 0.000 0.451 327 Q N 3.344 123.138 119.800 -0.010 0.000 2.311 327 Q HA 0.235 4.648 4.340 0.122 0.000 0.272 327 Q C -1.357 174.637 176.000 -0.010 0.000 1.012 327 Q CA 0.930 56.727 55.803 -0.009 0.000 0.891 327 Q CB 0.609 29.342 28.738 -0.008 0.000 1.201 327 Q HN 0.758 nan 8.270 nan 0.000 0.391 328 Q N 1.261 121.055 119.800 -0.010 0.000 2.377 328 Q HA 0.496 4.909 4.340 0.122 0.000 0.279 328 Q C -1.057 174.939 176.000 -0.007 0.000 1.049 328 Q CA -0.997 54.800 55.803 -0.010 0.000 0.825 328 Q CB 0.967 29.696 28.738 -0.015 0.000 1.401 328 Q HN 0.456 nan 8.270 nan 0.000 0.404 329 T N 3.726 118.277 114.554 -0.005 0.000 2.867 329 T HA 0.180 4.603 4.350 0.122 0.000 0.297 329 T C -2.199 172.503 174.700 0.003 0.000 0.989 329 T CA -0.401 61.698 62.100 -0.001 0.000 1.159 329 T CB -0.105 68.763 68.868 -0.000 0.000 0.928 329 T HN 0.389 nan 8.240 nan 0.000 0.538 330 P HA 0.126 nan 4.420 nan 0.000 0.265 330 P C 0.813 178.131 177.300 0.029 0.000 1.193 330 P CA -0.094 63.021 63.100 0.026 0.000 0.765 330 P CB 0.580 32.300 31.700 0.035 0.000 0.823 331 T N -1.768 112.804 114.554 0.031 0.000 3.057 331 T HA 0.277 4.700 4.350 0.122 0.000 0.254 331 T C 0.404 175.131 174.700 0.045 0.000 0.965 331 T CA 0.367 62.484 62.100 0.027 0.000 0.978 331 T CB -0.018 68.852 68.868 0.004 0.000 1.169 331 T HN 0.526 nan 8.240 nan 0.000 0.489 332 S N -0.533 115.200 115.700 0.056 0.000 2.578 332 S HA 0.410 4.954 4.470 0.122 0.000 0.272 332 S C 0.146 174.820 174.600 0.124 0.000 1.145 332 S CA -0.470 57.780 58.200 0.084 0.000 0.835 332 S CB 0.770 63.987 63.200 0.027 0.000 1.104 332 S HN 0.174 nan 8.310 nan 0.000 0.458 333 Y N 2.480 122.794 120.300 0.024 0.000 2.102 333 Y HA -0.153 4.470 4.550 0.122 0.000 0.280 333 Y C 2.281 178.193 175.900 0.020 0.000 1.178 333 Y CA 2.703 60.813 58.100 0.015 0.000 1.146 333 Y CB -0.900 37.419 38.460 -0.235 0.000 0.968 333 Y HN 0.704 nan 8.280 nan 0.000 0.504 334 S N 0.478 115.958 115.700 -0.366 0.000 2.359 334 S HA -0.210 4.333 4.470 0.122 0.000 0.224 334 S C 2.226 176.424 174.600 -0.671 0.000 1.035 334 S CA 1.312 59.058 58.200 -0.757 0.000 1.018 334 S CB -0.912 62.025 63.200 -0.439 0.000 0.876 334 S HN 0.677 nan 8.310 nan 0.000 0.448 335 A N 1.410 124.038 122.820 -0.321 0.000 2.066 335 A HA -0.079 4.314 4.320 0.122 0.000 0.218 335 A C 1.603 179.072 177.584 -0.192 0.000 1.157 335 A CA 1.156 53.060 52.037 -0.221 0.000 0.670 335 A CB -0.407 18.524 19.000 -0.115 0.000 0.804 335 A HN 0.303 nan 8.150 nan 0.000 0.453 336 D N -0.897 119.402 120.400 -0.168 0.000 2.263 336 D HA -0.145 4.569 4.640 0.122 0.000 0.208 336 D C 1.283 177.329 176.300 -0.422 0.000 0.971 336 D CA 0.793 54.706 54.000 -0.144 0.000 0.867 336 D CB -0.242 40.603 40.800 0.075 0.000 0.929 336 D HN 0.708 nan 8.370 nan 0.000 0.492 337 W N 0.980 121.690 121.300 -0.983 0.000 2.425 337 W HA 0.037 4.770 4.660 0.120 0.000 0.277 337 W C 0.787 176.971 176.519 -0.558 0.000 1.231 337 W CA 0.049 56.709 57.345 -1.143 0.000 1.248 337 W CB -0.864 28.067 29.460 -0.882 0.000 1.117 337 W HN 0.077 nan 8.180 nan 0.000 0.568 338 Q N -0.485 119.222 119.800 -0.156 0.000 2.452 338 Q HA -0.149 4.264 4.340 0.122 0.000 0.318 338 Q C -0.293 175.651 176.000 -0.094 0.000 1.386 338 Q CA 0.717 56.456 55.803 -0.107 0.000 0.872 338 Q CB -2.187 26.503 28.738 -0.080 0.000 1.151 338 Q HN 0.233 nan 8.270 nan 0.000 0.417 339 V N -4.048 115.801 119.914 -0.108 0.000 3.126 339 V HA 0.881 5.074 4.120 0.122 0.000 0.314 339 V C -0.011 176.004 176.094 -0.132 0.000 1.138 339 V CA -0.673 61.543 62.300 -0.140 0.000 1.034 339 V CB 2.700 34.399 31.823 -0.206 0.000 1.075 339 V HN 0.091 nan 8.190 nan 0.000 0.442 340 T N 1.829 116.299 114.554 -0.140 0.000 2.847 340 T HA 0.584 5.008 4.350 0.122 0.000 0.291 340 T C -1.124 173.517 174.700 -0.098 0.000 0.998 340 T CA -0.014 62.056 62.100 -0.050 0.000 0.967 340 T CB 0.650 69.503 68.868 -0.025 0.000 0.954 340 T HN 0.587 nan 8.240 nan 0.000 0.441 341 Y N 1.826 122.074 120.300 -0.087 0.000 2.359 341 Y HA 0.482 5.106 4.550 0.123 0.000 0.330 341 Y C 0.426 176.153 175.900 -0.288 0.000 1.143 341 Y CA -0.466 57.510 58.100 -0.207 0.000 1.318 341 Y CB 0.645 39.020 38.460 -0.142 0.000 1.234 341 Y HN 0.275 nan 8.280 nan 0.000 0.522 342 V N 4.411 124.106 119.914 -0.365 0.000 2.733 342 V HA 0.236 4.429 4.120 0.122 0.000 0.306 342 V C -0.755 175.090 176.094 -0.416 0.000 1.084 342 V CA -0.935 61.231 62.300 -0.224 0.000 0.905 342 V CB 1.568 33.376 31.823 -0.026 0.000 1.010 342 V HN 0.652 nan 8.190 nan 0.000 0.424 343 F N 2.311 122.351 119.950 0.150 0.000 2.683 343 F HA 0.740 5.341 4.527 0.123 0.000 0.306 343 F C 0.806 176.697 175.800 0.151 0.000 1.102 343 F CA 0.056 58.069 58.000 0.020 0.000 1.244 343 F CB 0.812 39.669 39.000 -0.238 0.000 1.029 343 F HN 0.526 nan 8.300 nan 0.000 0.545 344 A N 0.806 123.823 122.820 0.329 0.000 2.515 344 A HA 0.753 5.146 4.320 0.122 0.000 0.298 344 A C -1.087 176.519 177.584 0.037 0.000 1.059 344 A CA -0.728 51.456 52.037 0.246 0.000 0.698 344 A CB 1.976 21.078 19.000 0.169 0.000 1.289 344 A HN 0.081 nan 8.150 nan 0.000 0.404 345 K N 1.469 121.844 120.400 -0.041 0.000 2.501 345 K HA 0.407 4.801 4.320 0.122 0.000 0.252 345 K C -0.674 175.877 176.600 -0.081 0.000 0.934 345 K CA -0.570 55.563 56.287 -0.256 0.000 0.797 345 K CB 0.852 32.937 32.500 -0.691 0.000 1.270 345 K HN 0.718 nan 8.250 nan 0.000 0.431 346 N N 2.257 120.911 118.700 -0.076 0.000 2.721 346 N HA -0.218 4.595 4.740 0.122 0.000 0.249 346 N C 0.463 175.979 175.510 0.009 0.000 1.072 346 N CA 1.546 54.580 53.050 -0.027 0.000 0.710 346 N CB -1.355 37.119 38.487 -0.021 0.000 0.993 346 N HN 1.096 nan 8.380 nan 0.000 0.547 347 G N -1.744 107.067 108.800 0.019 0.000 2.168 347 G HA2 -0.355 3.678 3.960 0.122 0.000 0.263 347 G HA3 -0.355 3.678 3.960 0.122 0.000 0.263 347 G C -0.092 174.849 174.900 0.069 0.000 0.977 347 G CA 0.932 46.057 45.100 0.042 0.000 0.659 347 G HN 0.395 nan 8.290 nan 0.000 0.533 348 K N 0.597 121.049 120.400 0.087 0.000 2.292 348 K HA 0.540 4.933 4.320 0.122 0.000 0.257 348 K C -2.580 174.129 176.600 0.182 0.000 0.940 348 K CA -2.290 54.072 56.287 0.125 0.000 0.811 348 K CB 2.100 34.675 32.500 0.126 0.000 1.120 348 K HN -0.004 nan 8.250 nan 0.000 0.428 349 P HA 0.167 nan 4.420 nan 0.000 0.269 349 P C 1.013 178.482 177.300 0.283 0.000 1.215 349 P CA -0.264 62.981 63.100 0.241 0.000 0.780 349 P CB 0.676 32.516 31.700 0.233 0.000 0.898 350 I N -0.006 120.734 120.570 0.284 0.000 2.361 350 I HA -0.032 4.211 4.170 0.122 0.000 0.251 350 I C 0.795 177.033 176.117 0.202 0.000 1.133 350 I CA 1.537 62.980 61.300 0.238 0.000 1.413 350 I CB -0.249 37.696 38.000 -0.091 0.000 1.073 350 I HN 0.511 nan 8.210 nan 0.000 0.424 351 G N -0.170 108.773 108.800 0.238 0.000 2.523 351 G HA2 0.366 4.399 3.960 0.122 0.000 0.291 351 G HA3 0.366 4.399 3.960 0.122 0.000 0.291 351 G C -3.058 172.011 174.900 0.281 0.000 1.450 351 G CA -0.725 44.515 45.100 0.233 0.000 0.790 351 G HN -0.138 nan 8.290 nan 0.000 0.496 352 P HA 0.280 nan 4.420 nan 0.000 0.274 352 P C -0.755 176.566 177.300 0.035 0.000 1.237 352 P CA -0.097 63.071 63.100 0.114 0.000 0.793 352 P CB 1.203 32.949 31.700 0.078 0.000 0.977 353 Q N 0.109 119.847 119.800 -0.103 0.000 2.230 353 Q HA 0.561 4.974 4.340 0.122 0.000 0.248 353 Q C 0.388 176.245 176.000 -0.238 0.000 0.915 353 Q CA -0.744 54.879 55.803 -0.299 0.000 0.900 353 Q CB 1.533 29.996 28.738 -0.458 0.000 1.229 353 Q HN 0.540 nan 8.270 nan 0.000 0.439 354 A N 1.411 124.044 122.820 -0.311 0.000 2.599 354 A HA 0.045 4.438 4.320 0.122 0.000 0.257 354 A C 0.869 178.237 177.584 -0.360 0.000 1.641 354 A CA 0.377 52.218 52.037 -0.326 0.000 0.842 354 A CB -0.181 18.564 19.000 -0.424 0.000 1.599 354 A HN 0.940 nan 8.150 nan 0.000 0.585 355 N N -0.676 117.795 118.700 -0.382 0.000 2.142 355 N HA -0.064 4.749 4.740 0.122 0.000 0.186 355 N C 0.397 175.687 175.510 -0.367 0.000 1.023 355 N CA 1.387 54.247 53.050 -0.317 0.000 0.852 355 N CB -0.185 38.136 38.487 -0.277 0.000 0.998 355 N HN 0.402 nan 8.380 nan 0.000 0.424 356 S N 0.844 116.227 115.700 -0.528 0.000 2.510 356 S HA 0.081 4.624 4.470 0.122 0.000 0.279 356 S C 0.716 174.883 174.600 -0.721 0.000 1.284 356 S CA -0.613 57.205 58.200 -0.636 0.000 1.059 356 S CB 0.773 63.380 63.200 -0.989 0.000 0.901 356 S HN 0.354 nan 8.310 nan 0.000 0.491 357 N N 2.683 121.112 118.700 -0.451 0.000 2.289 357 N HA -0.087 4.726 4.740 0.122 0.000 0.184 357 N C 1.490 176.751 175.510 -0.416 0.000 1.016 357 N CA 0.834 53.661 53.050 -0.371 0.000 0.872 357 N CB -0.061 38.324 38.487 -0.170 0.000 0.973 357 N HN 0.878 nan 8.380 nan 0.000 0.433 358 W N -0.128 121.053 121.300 -0.198 0.000 2.905 358 W HA 0.279 5.006 4.660 0.110 0.000 0.251 358 W C 0.054 176.539 176.519 -0.056 0.000 1.305 358 W CA -0.422 56.871 57.345 -0.087 0.000 1.465 358 W CB -0.538 28.922 29.460 -0.001 0.000 1.122 358 W HN -0.104 nan 8.180 nan 0.000 0.659 359 L N 2.665 123.450 121.223 -0.731 0.000 2.352 359 L HA 0.300 4.713 4.340 0.122 0.000 0.272 359 L C -1.026 175.651 176.870 -0.322 0.000 1.109 359 L CA -0.817 53.700 54.840 -0.539 0.000 0.952 359 L CB -0.153 41.263 42.059 -1.072 0.000 1.314 359 L HN -0.230 nan 8.230 nan 0.000 0.427 360 Y N 3.899 124.223 120.300 0.040 0.000 2.316 360 Y HA 0.260 4.884 4.550 0.124 0.000 0.331 360 Y C 0.569 176.543 175.900 0.124 0.000 1.083 360 Y CA -0.402 57.735 58.100 0.061 0.000 1.206 360 Y CB 0.860 39.376 38.460 0.093 0.000 1.195 360 Y HN 0.344 nan 8.280 nan 0.000 0.497 361 I N 4.760 125.476 120.570 0.243 0.000 2.347 361 I HA 0.144 4.388 4.170 0.122 0.000 0.294 361 I C -0.678 175.514 176.117 0.126 0.000 1.090 361 I CA -0.103 61.368 61.300 0.285 0.000 1.314 361 I CB -0.047 38.097 38.000 0.240 0.000 1.423 361 I HN 0.299 nan 8.210 nan 0.000 0.503 362 V N 8.424 128.345 119.914 0.011 0.000 2.558 362 V HA 0.168 4.361 4.120 0.122 0.000 0.261 362 V C -1.819 173.802 176.094 -0.788 0.000 0.958 362 V CA -0.872 61.176 62.300 -0.420 0.000 0.852 362 V CB 1.112 32.585 31.823 -0.583 0.000 1.067 362 V HN 0.519 nan 8.190 nan 0.000 0.468 363 P HA -0.138 nan 4.420 nan 0.000 0.216 363 P C 1.703 178.586 177.300 -0.695 0.000 1.150 363 P CA 1.464 63.797 63.100 -1.279 0.000 0.837 363 P CB 0.062 31.355 31.700 -0.678 0.000 0.786 364 W N -0.682 120.406 121.300 -0.354 0.000 2.468 364 W HA 0.076 4.811 4.660 0.126 0.000 0.262 364 W C 1.470 177.857 176.519 -0.220 0.000 1.241 364 W CA 0.678 57.894 57.345 -0.215 0.000 1.232 364 W CB -2.165 27.215 29.460 -0.134 0.000 1.124 364 W HN -0.092 nan 8.180 nan 0.000 0.597 365 G N 1.819 110.304 108.800 -0.525 0.000 2.432 365 G HA2 -0.293 3.740 3.960 0.122 0.000 0.219 365 G HA3 -0.293 3.740 3.960 0.122 0.000 0.219 365 G C 1.409 176.130 174.900 -0.299 0.000 1.135 365 G CA 1.362 46.220 45.100 -0.403 0.000 0.767 365 G HN 0.224 nan 8.290 nan 0.000 0.550 366 M N -0.276 119.180 119.600 -0.241 0.000 2.086 366 M HA 0.004 4.557 4.480 0.122 0.000 0.261 366 M C 2.246 178.495 176.300 -0.084 0.000 1.067 366 M CA 1.348 56.598 55.300 -0.083 0.000 1.116 366 M CB -0.745 31.857 32.600 0.002 0.000 1.348 366 M HN 0.295 nan 8.290 nan 0.000 0.407 367 Y N 0.282 120.482 120.300 -0.167 0.000 2.128 367 Y HA -0.050 4.573 4.550 0.122 0.000 0.284 367 Y C 2.049 177.774 175.900 -0.292 0.000 1.154 367 Y CA 2.131 60.145 58.100 -0.144 0.000 1.149 367 Y CB -0.980 37.424 38.460 -0.093 0.000 0.976 367 Y HN 0.297 nan 8.280 nan 0.000 0.505 368 G N -0.525 107.970 108.800 -0.509 0.000 2.459 368 G HA2 -0.327 3.707 3.960 0.122 0.000 0.217 368 G HA3 -0.327 3.707 3.960 0.122 0.000 0.217 368 G C 1.742 175.874 174.900 -1.280 0.000 1.183 368 G CA 1.312 45.611 45.100 -1.335 0.000 0.776 368 G HN 0.548 nan 8.290 nan 0.000 0.552 369 C N -0.346 118.492 119.300 -0.769 0.000 2.432 369 C HA 0.016 4.550 4.460 0.122 0.000 0.277 369 C C 3.124 178.174 174.990 0.100 0.000 1.249 369 C CA 0.780 59.651 59.018 -0.245 0.000 1.725 369 C CB -0.906 26.617 27.740 -0.362 0.000 2.028 369 C HN 0.283 nan 8.230 nan 0.000 0.477 370 V N 1.476 121.353 119.914 -0.062 0.000 2.358 370 V HA -0.186 4.007 4.120 0.122 0.000 0.246 370 V C 2.256 178.321 176.094 -0.050 0.000 1.047 370 V CA 2.413 64.724 62.300 0.019 0.000 1.035 370 V CB -0.890 30.937 31.823 0.007 0.000 0.658 370 V HN 0.601 nan 8.190 nan 0.000 0.452 371 N N -0.414 118.103 118.700 -0.306 0.000 2.166 371 N HA -0.247 4.567 4.740 0.122 0.000 0.186 371 N C 1.826 177.318 175.510 -0.029 0.000 1.019 371 N CA 1.700 54.573 53.050 -0.294 0.000 0.856 371 N CB -0.370 37.700 38.487 -0.695 0.000 0.993 371 N HN 0.577 nan 8.380 nan 0.000 0.426 372 Y N 0.667 120.941 120.300 -0.044 0.000 2.145 372 Y HA -0.035 4.588 4.550 0.122 0.000 0.286 372 Y C 1.896 177.944 175.900 0.247 0.000 1.145 372 Y CA 1.576 59.796 58.100 0.199 0.000 1.148 372 Y CB -0.290 38.477 38.460 0.512 0.000 0.981 372 Y HN 0.120 nan 8.280 nan 0.000 0.507 373 I N 0.445 121.203 120.570 0.314 0.000 2.252 373 I HA -0.299 3.944 4.170 0.122 0.000 0.245 373 I C 2.581 178.778 176.117 0.134 0.000 1.102 373 I CA 1.672 63.132 61.300 0.267 0.000 1.385 373 I CB -0.476 37.733 38.000 0.349 0.000 1.064 373 I HN 0.187 nan 8.210 nan 0.000 0.414 374 K N 0.677 121.131 120.400 0.090 0.000 2.020 374 K HA -0.261 4.132 4.320 0.122 0.000 0.212 374 K C 2.184 178.786 176.600 0.002 0.000 1.050 374 K CA 1.634 57.952 56.287 0.052 0.000 0.929 374 K CB -0.012 32.506 32.500 0.030 0.000 0.714 374 K HN 0.240 nan 8.250 nan 0.000 0.443 375 Q N 0.182 119.955 119.800 -0.045 0.000 2.187 375 Q HA -0.095 4.318 4.340 0.122 0.000 0.199 375 Q C 1.877 177.777 176.000 -0.165 0.000 0.957 375 Q CA 1.223 56.983 55.803 -0.073 0.000 0.857 375 Q CB 0.103 28.818 28.738 -0.039 0.000 0.929 375 Q HN 0.368 nan 8.270 nan 0.000 0.453 376 K N -0.668 119.531 120.400 -0.335 0.000 2.202 376 K HA -0.026 4.367 4.320 0.122 0.000 0.201 376 K C 0.434 176.679 176.600 -0.590 0.000 1.051 376 K CA 0.493 56.428 56.287 -0.585 0.000 0.977 376 K CB 0.375 32.215 32.500 -1.100 0.000 0.792 376 K HN 0.038 nan 8.250 nan 0.000 0.469 377 Y N -0.084 120.143 120.300 -0.122 0.000 2.681 377 Y HA 0.301 4.925 4.550 0.123 0.000 0.267 377 Y C 0.666 176.547 175.900 -0.032 0.000 1.166 377 Y CA -0.108 57.951 58.100 -0.068 0.000 1.209 377 Y CB 1.156 39.581 38.460 -0.059 0.000 1.161 377 Y HN 0.265 nan 8.280 nan 0.000 0.534 378 G N 1.385 110.218 108.800 0.056 0.000 2.176 378 G HA2 -0.392 3.641 3.960 0.122 0.000 0.252 378 G HA3 -0.392 3.641 3.960 0.122 0.000 0.252 378 G C 0.310 175.252 174.900 0.069 0.000 1.024 378 G CA 0.400 45.532 45.100 0.052 0.000 0.755 378 G HN 0.710 nan 8.290 nan 0.000 0.507 379 N N -1.125 117.624 118.700 0.081 0.000 2.708 379 N HA -0.138 4.675 4.740 0.122 0.000 0.255 379 N C -1.570 173.999 175.510 0.099 0.000 1.046 379 N CA 0.442 53.544 53.050 0.087 0.000 0.715 379 N CB -0.160 38.368 38.487 0.068 0.000 0.895 379 N HN 0.546 nan 8.380 nan 0.000 0.545 380 P HA 0.063 nan 4.420 nan 0.000 0.272 380 P C -0.352 177.025 177.300 0.128 0.000 1.240 380 P CA 0.095 63.258 63.100 0.106 0.000 0.791 380 P CB 0.523 32.277 31.700 0.090 0.000 0.978 381 T N 0.974 115.613 114.554 0.141 0.000 2.817 381 T HA 0.205 4.628 4.350 0.122 0.000 0.295 381 T C 0.293 175.119 174.700 0.209 0.000 0.958 381 T CA 0.060 62.267 62.100 0.178 0.000 1.157 381 T CB -0.172 68.821 68.868 0.208 0.000 0.898 381 T HN 0.098 nan 8.240 nan 0.000 0.536 382 V N 4.706 124.736 119.914 0.194 0.000 2.581 382 V HA 0.516 4.709 4.120 0.122 0.000 0.303 382 V C -0.116 176.083 176.094 0.175 0.000 1.041 382 V CA -0.709 61.710 62.300 0.198 0.000 0.907 382 V CB 2.150 34.089 31.823 0.192 0.000 0.994 382 V HN 0.651 nan 8.190 nan 0.000 0.442 383 V N 5.171 125.185 119.914 0.167 0.000 2.487 383 V HA 0.444 4.638 4.120 0.122 0.000 0.298 383 V C -0.224 175.947 176.094 0.130 0.000 1.028 383 V CA -0.683 61.687 62.300 0.117 0.000 0.860 383 V CB 1.921 33.802 31.823 0.097 0.000 0.991 383 V HN 0.586 nan 8.190 nan 0.000 0.427 384 I N 4.988 125.654 120.570 0.160 0.000 2.406 384 I HA 0.126 4.369 4.170 0.122 0.000 0.293 384 I C 1.446 177.587 176.117 0.041 0.000 1.101 384 I CA 0.507 61.885 61.300 0.130 0.000 1.334 384 I CB 0.709 38.867 38.000 0.264 0.000 1.421 384 I HN 0.830 nan 8.210 nan 0.000 0.513 385 T N 1.911 116.431 114.554 -0.056 0.000 3.069 385 T HA 0.302 4.725 4.350 0.122 0.000 0.252 385 T C 0.525 175.141 174.700 -0.141 0.000 1.053 385 T CA -0.162 61.823 62.100 -0.193 0.000 0.964 385 T CB 0.639 69.246 68.868 -0.435 0.000 1.005 385 T HN 0.583 nan 8.240 nan 0.000 0.532 386 E N 0.790 120.924 120.200 -0.110 0.000 2.381 386 E HA 0.364 4.787 4.350 0.122 0.000 0.286 386 E C -1.856 174.621 176.600 -0.205 0.000 0.960 386 E CA -0.623 55.737 56.400 -0.067 0.000 0.793 386 E CB 1.824 31.450 29.700 -0.124 0.000 1.225 386 E HN 0.277 nan 8.360 nan 0.000 0.420 387 N N 2.274 120.946 118.700 -0.047 0.000 2.635 387 N HA 0.507 5.321 4.740 0.122 0.000 0.260 387 N C -1.265 174.488 175.510 0.404 0.000 1.078 387 N CA -0.052 53.011 53.050 0.022 0.000 1.012 387 N CB 1.910 40.533 38.487 0.226 0.000 1.677 387 N HN 0.641 nan 8.380 nan 0.000 0.514 388 G N 1.277 110.305 108.800 0.380 0.000 2.320 388 G HA2 0.502 4.536 3.960 0.122 0.000 0.296 388 G HA3 0.502 4.536 3.960 0.122 0.000 0.296 388 G C -1.656 173.094 174.900 -0.250 0.000 1.306 388 G CA -0.543 44.627 45.100 0.117 0.000 0.836 388 G HN 0.704 nan 8.290 nan 0.000 0.517 389 M N -0.772 118.564 119.600 -0.440 0.000 2.644 389 M HA 0.752 5.305 4.480 0.122 0.000 0.273 389 M C -2.082 173.762 176.300 -0.760 0.000 1.253 389 M CA -1.014 53.899 55.300 -0.645 0.000 0.852 389 M CB 2.608 34.557 32.600 -1.085 0.000 1.708 389 M HN 0.565 nan 8.290 nan 0.000 0.471 390 D N 0.466 120.231 120.400 -1.058 0.000 2.342 390 D HA 0.463 5.176 4.640 0.122 0.000 0.243 390 D C -1.274 174.742 176.300 -0.474 0.000 1.019 390 D CA -0.397 53.005 54.000 -0.996 0.000 0.864 390 D CB 1.575 41.456 40.800 -1.531 0.000 1.315 390 D HN 0.817 nan 8.370 nan 0.000 0.468 391 Q N 0.449 120.105 119.800 -0.240 0.000 2.221 391 Q HA 0.451 4.864 4.340 0.122 0.000 0.242 391 Q C -2.076 173.915 176.000 -0.015 0.000 0.940 391 Q CA -1.680 54.083 55.803 -0.067 0.000 0.896 391 Q CB 1.725 30.542 28.738 0.131 0.000 1.226 391 Q HN 0.382 nan 8.270 nan 0.000 0.463 392 P HA 0.148 nan 4.420 nan 0.000 0.282 392 P C -1.199 176.197 177.300 0.161 0.000 1.287 392 P CA -0.298 62.814 63.100 0.021 0.000 0.792 392 P CB 0.513 32.192 31.700 -0.034 0.000 1.163 393 A N 0.466 123.365 122.820 0.132 0.000 2.327 393 A HA 0.251 4.645 4.320 0.122 0.000 0.255 393 A C 0.714 178.403 177.584 0.176 0.000 1.099 393 A CA 0.053 52.211 52.037 0.200 0.000 0.801 393 A CB -1.056 18.017 19.000 0.121 0.000 1.062 393 A HN 0.717 nan 8.150 nan 0.000 0.496 394 N N -2.243 116.593 118.700 0.227 0.000 2.878 394 N HA -0.139 4.674 4.740 0.122 0.000 0.247 394 N C -0.304 175.228 175.510 0.036 0.000 1.021 394 N CA 1.346 54.475 53.050 0.130 0.000 0.873 394 N CB -1.939 36.586 38.487 0.064 0.000 1.128 394 N HN 0.600 nan 8.380 nan 0.000 0.571 395 L N 0.749 121.918 121.223 -0.090 0.000 2.466 395 L HA 0.326 4.739 4.340 0.122 0.000 0.257 395 L C 1.449 178.188 176.870 -0.218 0.000 1.189 395 L CA -0.483 54.112 54.840 -0.408 0.000 0.813 395 L CB 0.514 41.933 42.059 -1.067 0.000 1.118 395 L HN 0.219 nan 8.230 nan 0.000 0.471 396 S N 0.175 115.742 115.700 -0.221 0.000 2.614 396 S HA 0.171 4.714 4.470 0.122 0.000 0.265 396 S C 0.990 175.510 174.600 -0.133 0.000 1.303 396 S CA -0.542 57.597 58.200 -0.102 0.000 1.000 396 S CB 1.262 64.403 63.200 -0.098 0.000 0.935 396 S HN 0.701 nan 8.310 nan 0.000 0.551 397 R N 0.601 121.042 120.500 -0.097 0.000 2.094 397 R HA -0.183 4.230 4.340 0.122 0.000 0.239 397 R C 1.119 177.262 176.300 -0.262 0.000 1.137 397 R CA 2.364 58.291 56.100 -0.287 0.000 0.943 397 R CB -0.726 29.443 30.300 -0.219 0.000 0.850 397 R HN 0.781 nan 8.270 nan 0.000 0.433 398 D N 0.170 120.473 120.400 -0.161 0.000 2.144 398 D HA -0.168 4.545 4.640 0.122 0.000 0.199 398 D C 2.030 178.258 176.300 -0.120 0.000 0.984 398 D CA 1.215 55.147 54.000 -0.114 0.000 0.834 398 D CB -0.211 40.543 40.800 -0.076 0.000 0.955 398 D HN 0.435 nan 8.370 nan 0.000 0.465 399 Q N -0.776 118.915 119.800 -0.182 0.000 2.124 399 Q HA -0.149 4.265 4.340 0.122 0.000 0.202 399 Q C 2.060 177.912 176.000 -0.247 0.000 0.977 399 Q CA 0.968 56.635 55.803 -0.226 0.000 0.850 399 Q CB -0.166 28.381 28.738 -0.318 0.000 0.901 399 Q HN 0.485 nan 8.270 nan 0.000 0.429 400 Y N 0.484 120.662 120.300 -0.204 0.000 2.181 400 Y HA -0.207 4.427 4.550 0.139 0.000 0.288 400 Y C 2.084 177.914 175.900 -0.117 0.000 1.146 400 Y CA 0.773 58.750 58.100 -0.206 0.000 1.164 400 Y CB 0.009 38.187 38.460 -0.469 0.000 0.982 400 Y HN 0.075 nan 8.280 nan 0.000 0.515 401 L N -0.368 120.863 121.223 0.013 0.000 2.156 401 L HA -0.119 4.294 4.340 0.122 0.000 0.208 401 L C 0.867 177.806 176.870 0.115 0.000 1.095 401 L CA 0.943 55.832 54.840 0.082 0.000 0.770 401 L CB -0.366 41.732 42.059 0.064 0.000 0.914 401 L HN 0.052 nan 8.230 nan 0.000 0.439 402 R N 1.990 122.527 120.500 0.062 0.000 4.496 402 R HA 0.021 4.434 4.340 0.122 0.000 0.211 402 R C -0.314 176.035 176.300 0.081 0.000 1.738 402 R CA -0.188 55.958 56.100 0.077 0.000 1.528 402 R CB -0.507 29.812 30.300 0.031 0.000 1.414 402 R HN 0.230 nan 8.270 nan 0.000 0.812 403 D N 0.176 120.651 120.400 0.125 0.000 2.896 403 D HA -0.045 4.668 4.640 0.122 0.000 0.240 403 D C 0.906 177.276 176.300 0.117 0.000 1.193 403 D CA -0.188 53.877 54.000 0.109 0.000 0.983 403 D CB 0.904 41.784 40.800 0.133 0.000 1.074 403 D HN -0.009 nan 8.370 nan 0.000 0.496 404 T N -0.003 114.616 114.554 0.108 0.000 2.759 404 T HA -0.205 4.218 4.350 0.122 0.000 0.269 404 T C 1.559 176.327 174.700 0.114 0.000 1.042 404 T CA 2.128 64.301 62.100 0.121 0.000 1.140 404 T CB -0.153 68.774 68.868 0.098 0.000 0.864 404 T HN 0.343 nan 8.240 nan 0.000 0.455 405 T N 1.081 115.689 114.554 0.089 0.000 2.821 405 T HA -0.016 4.407 4.350 0.122 0.000 0.267 405 T C 2.021 176.772 174.700 0.085 0.000 1.046 405 T CA 1.221 63.383 62.100 0.103 0.000 1.139 405 T CB -0.217 68.680 68.868 0.048 0.000 0.871 405 T HN 0.389 nan 8.240 nan 0.000 0.454 406 R N 0.691 121.212 120.500 0.035 0.000 2.090 406 R HA -0.037 4.376 4.340 0.122 0.000 0.228 406 R C 2.294 178.616 176.300 0.037 0.000 1.110 406 R CA 0.873 56.969 56.100 -0.006 0.000 0.973 406 R CB -0.450 29.866 30.300 0.026 0.000 0.869 406 R HN 0.210 nan 8.270 nan 0.000 0.440 407 V N 0.590 120.511 119.914 0.010 0.000 2.255 407 V HA -0.322 3.871 4.120 0.122 0.000 0.247 407 V C 2.326 178.253 176.094 -0.278 0.000 1.051 407 V CA 2.361 64.514 62.300 -0.244 0.000 1.018 407 V CB -0.845 30.902 31.823 -0.126 0.000 0.641 407 V HN 0.543 nan 8.190 nan 0.000 0.445 408 H N -1.434 117.553 119.070 -0.139 0.000 2.352 408 H HA -0.251 4.379 4.556 0.122 0.000 0.299 408 H C 2.262 177.565 175.328 -0.041 0.000 1.097 408 H CA 2.007 58.009 56.048 -0.076 0.000 1.311 408 H CB -0.061 29.709 29.762 0.014 0.000 1.377 408 H HN 0.435 nan 8.280 nan 0.000 0.504 409 F N 0.638 120.476 119.950 -0.187 0.000 2.046 409 F HA -0.315 4.290 4.527 0.129 0.000 0.297 409 F C 1.885 177.555 175.800 -0.217 0.000 1.123 409 F CA 1.685 59.535 58.000 -0.252 0.000 1.199 409 F CB -0.570 38.186 39.000 -0.407 0.000 0.972 409 F HN 0.135 nan 8.300 nan 0.000 0.474 410 Y N 0.317 120.645 120.300 0.047 0.000 2.200 410 Y HA -0.167 4.453 4.550 0.117 0.000 0.290 410 Y C 2.707 178.406 175.900 -0.333 0.000 1.137 410 Y CA 1.788 59.808 58.100 -0.134 0.000 1.163 410 Y CB -0.939 37.278 38.460 -0.405 0.000 0.988 410 Y HN 0.044 nan 8.280 nan 0.000 0.518 411 R N -0.266 119.985 120.500 -0.415 0.000 2.091 411 R HA -0.158 4.256 4.340 0.122 0.000 0.238 411 R C 2.210 178.545 176.300 0.058 0.000 1.136 411 R CA 1.884 57.916 56.100 -0.113 0.000 0.959 411 R CB -0.283 29.982 30.300 -0.058 0.000 0.856 411 R HN 0.205 nan 8.270 nan 0.000 0.437 412 S N -0.447 115.263 115.700 0.016 0.000 2.371 412 S HA -0.091 4.452 4.470 0.122 0.000 0.224 412 S C 1.607 176.190 174.600 -0.029 0.000 1.029 412 S CA 0.978 59.171 58.200 -0.012 0.000 0.978 412 S CB -0.327 62.798 63.200 -0.124 0.000 0.833 412 S HN 0.361 nan 8.310 nan 0.000 0.466 413 Y N 1.661 121.829 120.300 -0.221 0.000 2.242 413 Y HA 0.080 4.706 4.550 0.127 0.000 0.291 413 Y C 2.045 177.966 175.900 0.035 0.000 1.137 413 Y CA 0.574 58.581 58.100 -0.154 0.000 1.181 413 Y CB -0.444 37.845 38.460 -0.284 0.000 0.989 413 Y HN 0.150 nan 8.280 nan 0.000 0.527 414 L N -1.233 120.134 121.223 0.240 0.000 2.141 414 L HA -0.196 4.218 4.340 0.122 0.000 0.209 414 L C 2.204 179.225 176.870 0.252 0.000 1.094 414 L CA 1.407 56.398 54.840 0.253 0.000 0.763 414 L CB -0.658 41.573 42.059 0.287 0.000 0.908 414 L HN 0.173 nan 8.230 nan 0.000 0.437 415 T N -1.230 113.418 114.554 0.155 0.000 2.788 415 T HA -0.176 4.247 4.350 0.122 0.000 0.268 415 T C 1.919 176.644 174.700 0.043 0.000 1.044 415 T CA 0.997 63.140 62.100 0.072 0.000 1.139 415 T CB -0.049 68.849 68.868 0.049 0.000 0.867 415 T HN 0.269 nan 8.240 nan 0.000 0.454 416 Q N 0.370 120.198 119.800 0.047 0.000 2.123 416 Q HA 0.060 4.473 4.340 0.122 0.000 0.199 416 Q C 2.408 178.497 176.000 0.148 0.000 0.966 416 Q CA 0.780 56.618 55.803 0.059 0.000 0.845 416 Q CB -0.689 28.040 28.738 -0.014 0.000 0.907 416 Q HN 0.385 nan 8.270 nan 0.000 0.439 417 L N 1.686 123.011 121.223 0.171 0.000 2.017 417 L HA -0.188 4.225 4.340 0.122 0.000 0.208 417 L C 2.384 179.358 176.870 0.173 0.000 1.073 417 L CA 2.029 57.001 54.840 0.219 0.000 0.745 417 L CB -0.596 41.644 42.059 0.302 0.000 0.894 417 L HN 0.104 nan 8.230 nan 0.000 0.432 418 K N -0.300 120.161 120.400 0.101 0.000 2.074 418 K HA -0.301 4.092 4.320 0.122 0.000 0.209 418 K C 2.328 178.890 176.600 -0.065 0.000 1.048 418 K CA 2.075 58.267 56.287 -0.158 0.000 0.926 418 K CB -0.251 31.991 32.500 -0.430 0.000 0.713 418 K HN 0.382 nan 8.250 nan 0.000 0.444 419 K N 0.066 120.478 120.400 0.019 0.000 2.032 419 K HA -0.175 4.219 4.320 0.122 0.000 0.209 419 K C 2.004 178.718 176.600 0.190 0.000 1.048 419 K CA 1.449 57.774 56.287 0.064 0.000 0.927 419 K CB -0.269 32.247 32.500 0.026 0.000 0.712 419 K HN 0.262 nan 8.250 nan 0.000 0.441 420 A N 1.281 124.268 122.820 0.279 0.000 1.902 420 A HA -0.135 4.259 4.320 0.122 0.000 0.217 420 A C 2.110 179.755 177.584 0.100 0.000 1.181 420 A CA 1.576 53.717 52.037 0.174 0.000 0.623 420 A CB -0.573 18.443 19.000 0.027 0.000 0.818 420 A HN 0.375 nan 8.150 nan 0.000 0.443 421 I N -0.100 120.522 120.570 0.087 0.000 2.226 421 I HA -0.221 4.022 4.170 0.122 0.000 0.245 421 I C 1.521 177.659 176.117 0.035 0.000 1.100 421 I CA 1.424 62.765 61.300 0.068 0.000 1.374 421 I CB -0.442 37.588 38.000 0.049 0.000 1.057 421 I HN 0.218 nan 8.210 nan 0.000 0.413 422 D N 0.725 121.127 120.400 0.004 0.000 2.310 422 D HA -0.137 4.576 4.640 0.122 0.000 0.212 422 D C 1.728 178.044 176.300 0.027 0.000 0.965 422 D CA 0.947 54.942 54.000 -0.007 0.000 0.879 422 D CB -0.128 40.647 40.800 -0.042 0.000 0.921 422 D HN 0.451 nan 8.370 nan 0.000 0.510 423 E N -0.738 119.498 120.200 0.061 0.000 2.489 423 E HA 0.224 4.648 4.350 0.122 0.000 0.193 423 E C 1.085 177.721 176.600 0.060 0.000 1.057 423 E CA 0.266 56.710 56.400 0.073 0.000 0.866 423 E CB 0.588 30.364 29.700 0.125 0.000 0.916 423 E HN 0.265 nan 8.360 nan 0.000 0.500 424 G N 0.983 109.817 108.800 0.057 0.000 2.192 424 G HA2 -0.214 3.820 3.960 0.122 0.000 0.193 424 G HA3 -0.214 3.820 3.960 0.122 0.000 0.193 424 G C 0.356 175.297 174.900 0.068 0.000 0.999 424 G CA -0.227 44.908 45.100 0.058 0.000 0.659 424 G HN 0.390 nan 8.290 nan 0.000 0.503 425 A N 0.275 123.138 122.820 0.072 0.000 2.511 425 A HA 0.519 4.912 4.320 0.122 0.000 0.242 425 A C 0.743 178.400 177.584 0.122 0.000 1.069 425 A CA 0.599 52.688 52.037 0.087 0.000 0.763 425 A CB 0.229 19.276 19.000 0.078 0.000 1.001 425 A HN 0.605 nan 8.150 nan 0.000 0.498 426 N N 2.650 121.426 118.700 0.128 0.000 3.254 426 N HA 0.191 5.004 4.740 0.122 0.000 0.308 426 N C -0.836 174.783 175.510 0.183 0.000 1.281 426 N CA 0.002 53.140 53.050 0.146 0.000 1.212 426 N CB -0.377 38.186 38.487 0.127 0.000 1.478 426 N HN 0.276 nan 8.380 nan 0.000 0.548 427 V N 1.501 121.555 119.914 0.233 0.000 2.383 427 V HA 0.431 4.625 4.120 0.122 0.000 0.275 427 V C 1.156 177.456 176.094 0.344 0.000 1.036 427 V CA -0.383 62.095 62.300 0.297 0.000 0.889 427 V CB 0.941 32.990 31.823 0.377 0.000 0.985 427 V HN 0.483 nan 8.190 nan 0.000 0.459 428 A N 3.678 126.571 122.820 0.122 0.000 2.197 428 A HA 0.718 5.112 4.320 0.122 0.000 0.210 428 A C 0.969 178.166 177.584 -0.646 0.000 1.180 428 A CA 0.723 52.716 52.037 -0.074 0.000 0.846 428 A CB 0.245 19.246 19.000 0.002 0.000 0.884 428 A HN 1.098 nan 8.150 nan 0.000 0.487 429 G N -2.263 106.075 108.800 -0.769 0.000 2.559 429 G HA2 0.469 4.502 3.960 0.122 0.000 0.291 429 G HA3 0.469 4.502 3.960 0.122 0.000 0.291 429 G C -1.967 172.606 174.900 -0.545 0.000 1.424 429 G CA -0.407 44.009 45.100 -1.139 0.000 0.786 429 G HN 0.498 nan 8.290 nan 0.000 0.485 430 Y N -0.306 119.559 120.300 -0.724 0.000 2.442 430 Y HA 0.718 5.343 4.550 0.126 0.000 0.330 430 Y C -2.073 173.612 175.900 -0.358 0.000 1.100 430 Y CA -1.384 56.581 58.100 -0.226 0.000 1.034 430 Y CB 1.755 40.201 38.460 -0.024 0.000 1.285 430 Y HN 0.466 nan 8.280 nan 0.000 0.440 431 F N 4.665 124.289 119.950 -0.544 0.000 2.518 431 F HA 0.743 5.341 4.527 0.120 0.000 0.323 431 F C 0.060 175.575 175.800 -0.475 0.000 1.129 431 F CA -0.842 56.920 58.000 -0.396 0.000 0.920 431 F CB 1.963 40.779 39.000 -0.307 0.000 1.160 431 F HN 0.681 nan 8.300 nan 0.000 0.440 432 A N 4.140 126.851 122.820 -0.180 0.000 2.362 432 A HA 0.205 4.598 4.320 0.122 0.000 0.276 432 A C -0.903 176.727 177.584 0.076 0.000 1.153 432 A CA -0.422 51.613 52.037 -0.003 0.000 0.813 432 A CB 0.236 19.119 19.000 -0.195 0.000 1.081 432 A HN 0.856 nan 8.150 nan 0.000 0.507 433 W N 4.067 125.440 121.300 0.122 0.000 2.342 433 W HA 0.509 5.217 4.660 0.081 0.000 0.310 433 W C -0.467 176.206 176.519 0.256 0.000 1.128 433 W CA -0.043 57.373 57.345 0.118 0.000 1.322 433 W CB 1.303 30.816 29.460 0.087 0.000 1.251 433 W HN 0.671 nan 8.180 nan 0.000 0.439 434 S N 4.235 119.790 115.700 -0.242 0.000 2.661 434 S HA 0.297 4.840 4.470 0.122 0.000 0.285 434 S C 0.416 174.811 174.600 -0.341 0.000 1.138 434 S CA -0.722 57.045 58.200 -0.723 0.000 0.855 434 S CB 1.498 63.927 63.200 -1.285 0.000 1.136 434 S HN 0.515 nan 8.310 nan 0.000 0.484 435 L N 2.490 123.505 121.223 -0.348 0.000 2.042 435 L HA 0.287 4.701 4.340 0.122 0.000 0.210 435 L C -0.136 176.633 176.870 -0.167 0.000 1.076 435 L CA 1.990 56.681 54.840 -0.248 0.000 0.749 435 L CB -0.401 41.538 42.059 -0.199 0.000 0.893 435 L HN 0.619 nan 8.230 nan 0.000 0.432 436 L N -0.388 120.728 121.223 -0.179 0.000 2.381 436 L HA 0.367 4.781 4.340 0.122 0.000 0.268 436 L C -0.662 176.182 176.870 -0.043 0.000 0.997 436 L CA -1.244 53.532 54.840 -0.106 0.000 0.818 436 L CB 1.459 43.457 42.059 -0.102 0.000 1.310 436 L HN -0.162 nan 8.230 nan 0.000 0.416 437 D N 2.175 122.595 120.400 0.033 0.000 2.506 437 D HA 0.152 4.865 4.640 0.122 0.000 0.234 437 D C -0.417 176.086 176.300 0.338 0.000 1.143 437 D CA 0.690 54.802 54.000 0.187 0.000 0.871 437 D CB 0.588 41.516 40.800 0.213 0.000 1.190 437 D HN 0.672 nan 8.370 nan 0.000 0.459 438 N N -0.553 118.359 118.700 0.354 0.000 3.344 438 N HA 0.275 5.088 4.740 0.122 0.000 0.296 438 N C -1.419 174.146 175.510 0.092 0.000 1.571 438 N CA -0.922 52.323 53.050 0.325 0.000 0.844 438 N CB 0.242 38.806 38.487 0.130 0.000 1.718 438 N HN 0.203 nan 8.380 nan 0.000 0.589 439 F N 0.894 120.693 119.950 -0.251 0.000 2.462 439 F HA 0.311 4.812 4.527 -0.043 0.000 0.360 439 F C 0.587 175.995 175.800 -0.653 0.000 1.134 439 F CA -0.399 57.159 58.000 -0.737 0.000 1.148 439 F CB 0.492 39.064 39.000 -0.713 0.000 1.147 439 F HN 0.640 nan 8.300 nan 0.000 0.550 440 E N 7.257 126.913 120.200 -0.907 0.000 2.325 440 E HA 0.175 4.598 4.350 0.122 0.000 0.295 440 E C -0.153 176.041 176.600 -0.676 0.000 1.461 440 E CA -0.075 55.961 56.400 -0.608 0.000 1.698 440 E CB -0.527 29.112 29.700 -0.102 0.000 1.496 440 E HN 0.742 nan 8.360 nan 0.000 0.474 441 W N 0.084 120.785 121.300 -0.999 0.000 2.259 441 W HA -0.512 4.322 4.660 0.290 0.000 0.293 441 W C 1.448 177.774 176.519 -0.322 0.000 1.351 441 W CA 0.775 57.678 57.345 -0.738 0.000 1.295 441 W CB -1.391 27.823 29.460 -0.409 0.000 0.892 441 W HN 0.224 nan 8.180 nan 0.000 0.520 442 L N -0.099 121.340 121.223 0.359 0.000 2.187 442 L HA -0.196 4.217 4.340 0.122 0.000 0.213 442 L C 2.047 178.979 176.870 0.102 0.000 1.100 442 L CA 1.825 56.852 54.840 0.313 0.000 0.765 442 L CB -0.951 41.278 42.059 0.283 0.000 0.904 442 L HN 0.254 nan 8.230 nan 0.000 0.437 443 S N -0.575 115.117 115.700 -0.012 0.000 2.562 443 S HA 0.153 4.697 4.470 0.122 0.000 0.221 443 S C 1.478 175.957 174.600 -0.201 0.000 0.975 443 S CA 0.424 58.587 58.200 -0.061 0.000 0.918 443 S CB -0.031 63.158 63.200 -0.018 0.000 0.772 443 S HN 0.670 nan 8.310 nan 0.000 0.531 444 G N 1.702 110.228 108.800 -0.457 0.000 2.652 444 G HA2 -0.351 3.682 3.960 0.122 0.000 0.318 444 G HA3 -0.351 3.682 3.960 0.122 0.000 0.318 444 G C 0.226 174.675 174.900 -0.752 0.000 1.295 444 G CA 0.901 45.587 45.100 -0.691 0.000 0.999 444 G HN 0.542 nan 8.290 nan 0.000 0.548 445 Y N 1.820 122.009 120.300 -0.183 0.000 2.495 445 Y HA 0.324 4.841 4.550 -0.056 0.000 0.293 445 Y C 2.737 178.554 175.900 -0.138 0.000 1.186 445 Y CA 1.054 58.981 58.100 -0.288 0.000 1.266 445 Y CB 0.167 38.307 38.460 -0.533 0.000 1.101 445 Y HN 0.621 nan 8.280 nan 0.000 0.517 446 T N -4.072 110.472 114.554 -0.017 0.000 3.129 446 T HA 0.066 4.490 4.350 0.122 0.000 0.251 446 T C 0.663 175.379 174.700 0.026 0.000 1.117 446 T CA 0.153 62.272 62.100 0.033 0.000 1.034 446 T CB 0.066 68.947 68.868 0.022 0.000 0.968 446 T HN 0.102 nan 8.240 nan 0.000 0.526 447 S N 0.588 116.291 115.700 0.005 0.000 2.552 447 S HA 0.639 5.182 4.470 0.122 0.000 0.314 447 S C -1.381 173.255 174.600 0.060 0.000 1.099 447 S CA -0.810 57.390 58.200 0.000 0.000 1.070 447 S CB 0.844 64.067 63.200 0.038 0.000 0.998 447 S HN 0.199 nan 8.310 nan 0.000 0.474 448 K N 4.089 124.494 120.400 0.009 0.000 2.404 448 K HA 0.445 4.838 4.320 0.122 0.000 0.257 448 K C -0.655 175.947 176.600 0.003 0.000 1.026 448 K CA -0.172 56.163 56.287 0.080 0.000 0.951 448 K CB 0.447 33.002 32.500 0.092 0.000 1.203 448 K HN 0.621 nan 8.250 nan 0.000 0.446 449 F N 0.263 120.284 119.950 0.119 0.000 2.727 449 F HA 0.228 4.821 4.527 0.110 0.000 0.302 449 F C 1.416 177.266 175.800 0.083 0.000 1.097 449 F CA -0.360 57.724 58.000 0.139 0.000 1.330 449 F CB 0.538 39.741 39.000 0.339 0.000 1.084 449 F HN 0.571 nan 8.300 nan 0.000 0.578 450 G N 0.830 109.749 108.800 0.199 0.000 2.527 450 G HA2 0.284 4.317 3.960 0.122 0.000 0.248 450 G HA3 0.284 4.317 3.960 0.122 0.000 0.248 450 G C 1.137 176.128 174.900 0.151 0.000 1.231 450 G CA -0.388 44.776 45.100 0.106 0.000 0.838 450 G HN 0.423 nan 8.290 nan 0.000 0.570 451 I N -0.833 119.813 120.570 0.127 0.000 3.059 451 I HA 0.188 4.431 4.170 0.122 0.000 0.270 451 I C -0.087 176.098 176.117 0.113 0.000 1.238 451 I CA 0.139 61.543 61.300 0.172 0.000 1.478 451 I CB -0.042 38.081 38.000 0.204 0.000 1.097 451 I HN 0.016 nan 8.210 nan 0.000 0.455 452 V N 1.715 121.664 119.914 0.058 0.000 2.417 452 V HA 0.242 4.435 4.120 0.122 0.000 0.291 452 V C -0.603 175.538 176.094 0.079 0.000 1.024 452 V CA -0.739 61.589 62.300 0.047 0.000 0.861 452 V CB 1.149 32.953 31.823 -0.033 0.000 0.985 452 V HN 0.224 nan 8.190 nan 0.000 0.436 453 Y N 5.540 125.846 120.300 0.010 0.000 2.425 453 Y HA 0.453 5.085 4.550 0.137 0.000 0.331 453 Y C -0.197 175.651 175.900 -0.087 0.000 1.157 453 Y CA -0.107 57.975 58.100 -0.030 0.000 1.372 453 Y CB 1.054 39.536 38.460 0.037 0.000 1.253 453 Y HN 0.377 nan 8.280 nan 0.000 0.536 454 V N 7.042 126.441 119.914 -0.858 0.000 2.409 454 V HA 0.144 4.337 4.120 0.122 0.000 0.291 454 V C -0.511 174.683 176.094 -1.501 0.000 1.020 454 V CA -1.111 60.548 62.300 -1.069 0.000 0.848 454 V CB 1.471 32.654 31.823 -1.067 0.000 0.990 454 V HN 0.757 nan 8.190 nan 0.000 0.430 455 D N 3.766 123.503 120.400 -1.103 0.000 2.338 455 D HA 0.151 4.864 4.640 0.122 0.000 0.255 455 D C 0.425 176.413 176.300 -0.519 0.000 1.237 455 D CA -0.063 53.557 54.000 -0.632 0.000 0.883 455 D CB 0.873 41.568 40.800 -0.175 0.000 1.087 455 D HN 0.402 nan 8.370 nan 0.000 0.485 456 F N 2.682 122.498 119.950 -0.223 0.000 2.802 456 F HA 0.051 4.606 4.527 0.046 0.000 0.300 456 F C 1.972 177.673 175.800 -0.165 0.000 1.168 456 F CA -0.080 57.782 58.000 -0.230 0.000 1.433 456 F CB 0.013 38.826 39.000 -0.311 0.000 1.115 456 F HN 0.346 nan 8.300 nan 0.000 0.582 457 N N -0.603 118.103 118.700 0.010 0.000 2.305 457 N HA -0.073 4.740 4.740 0.122 0.000 0.179 457 N C 2.111 177.606 175.510 -0.026 0.000 1.019 457 N CA 1.965 55.018 53.050 0.006 0.000 0.869 457 N CB -0.453 38.051 38.487 0.030 0.000 1.000 457 N HN 0.277 nan 8.380 nan 0.000 0.431 458 T N -1.763 112.760 114.554 -0.052 0.000 3.014 458 T HA 0.274 4.697 4.350 0.122 0.000 0.250 458 T C 1.108 175.743 174.700 -0.107 0.000 1.060 458 T CA -0.018 62.048 62.100 -0.056 0.000 1.040 458 T CB 0.283 69.136 68.868 -0.024 0.000 0.971 458 T HN 0.162 nan 8.240 nan 0.000 0.497 459 L N -0.171 120.938 121.223 -0.189 0.000 4.884 459 L HA -0.179 4.234 4.340 0.122 0.000 0.430 459 L C -0.016 176.689 176.870 -0.275 0.000 1.087 459 L CA 0.459 55.137 54.840 -0.270 0.000 1.033 459 L CB -2.021 39.935 42.059 -0.172 0.000 2.030 459 L HN 0.464 nan 8.230 nan 0.000 0.762 460 E N 0.475 120.536 120.200 -0.232 0.000 2.413 460 E HA 0.257 4.681 4.350 0.122 0.000 0.263 460 E C 0.357 176.731 176.600 -0.376 0.000 1.015 460 E CA -0.248 55.994 56.400 -0.263 0.000 0.916 460 E CB 0.517 30.110 29.700 -0.179 0.000 0.947 460 E HN 0.065 nan 8.360 nan 0.000 0.440 461 R N 1.522 121.779 120.500 -0.406 0.000 2.368 461 R HA 0.392 4.805 4.340 0.122 0.000 0.302 461 R C -1.083 174.940 176.300 -0.462 0.000 1.002 461 R CA -0.405 55.489 56.100 -0.344 0.000 0.929 461 R CB 0.837 30.998 30.300 -0.232 0.000 1.073 461 R HN 0.482 nan 8.270 nan 0.000 0.464 462 H N 1.886 120.969 119.070 0.021 0.000 3.108 462 H HA 0.300 4.928 4.556 0.119 0.000 0.329 462 H C -2.401 172.993 175.328 0.110 0.000 0.978 462 H CA -2.017 54.103 56.048 0.120 0.000 1.413 462 H CB 1.579 31.489 29.762 0.247 0.000 1.670 462 H HN 0.388 nan 8.280 nan 0.000 0.512 463 P HA -0.008 nan 4.420 nan 0.000 0.264 463 P C -0.272 177.065 177.300 0.061 0.000 1.193 463 P CA 0.079 63.154 63.100 -0.041 0.000 0.763 463 P CB 0.865 32.333 31.700 -0.386 0.000 0.810 464 K N 2.035 122.488 120.400 0.089 0.000 2.127 464 K HA 0.438 4.831 4.320 0.122 0.000 0.240 464 K C 1.527 178.272 176.600 0.241 0.000 1.024 464 K CA -0.537 55.861 56.287 0.187 0.000 0.918 464 K CB 0.340 32.961 32.500 0.203 0.000 1.108 464 K HN 0.269 nan 8.250 nan 0.000 0.485 465 A N 0.937 123.965 122.820 0.347 0.000 1.948 465 A HA -0.234 4.159 4.320 0.122 0.000 0.220 465 A C 2.167 180.049 177.584 0.496 0.000 1.177 465 A CA 2.492 54.828 52.037 0.500 0.000 0.636 465 A CB -1.077 18.183 19.000 0.434 0.000 0.815 465 A HN 0.797 nan 8.150 nan 0.000 0.449 466 S N 0.107 116.012 115.700 0.343 0.000 2.399 466 S HA 0.021 4.564 4.470 0.122 0.000 0.231 466 S C 2.065 176.909 174.600 0.406 0.000 1.022 466 S CA 1.353 59.749 58.200 0.327 0.000 0.983 466 S CB -0.724 62.684 63.200 0.347 0.000 0.803 466 S HN 0.959 nan 8.310 nan 0.000 0.480 467 A N 1.023 124.008 122.820 0.276 0.000 1.902 467 A HA 0.019 4.413 4.320 0.122 0.000 0.217 467 A C 2.017 179.689 177.584 0.146 0.000 1.181 467 A CA 1.370 53.513 52.037 0.177 0.000 0.623 467 A CB -1.180 17.765 19.000 -0.092 0.000 0.818 467 A HN 0.666 nan 8.150 nan 0.000 0.443 468 Y N -2.863 117.645 120.300 0.346 0.000 2.293 468 Y HA -0.194 4.432 4.550 0.127 0.000 0.291 468 Y C 2.206 178.330 175.900 0.374 0.000 1.137 468 Y CA 0.924 59.227 58.100 0.338 0.000 1.202 468 Y CB -0.313 38.364 38.460 0.362 0.000 0.990 468 Y HN 0.611 nan 8.280 nan 0.000 0.537 469 W N 0.138 121.570 121.300 0.220 0.000 2.333 469 W HA -0.274 4.458 4.660 0.121 0.000 0.316 469 W C 1.636 177.947 176.519 -0.347 0.000 1.215 469 W CA 1.798 58.903 57.345 -0.399 0.000 1.278 469 W CB -0.711 28.267 29.460 -0.804 0.000 1.154 469 W HN 0.010 nan 8.180 nan 0.000 0.486 470 F N 0.495 120.492 119.950 0.078 0.000 2.126 470 F HA -0.178 4.425 4.527 0.125 0.000 0.299 470 F C 2.769 178.303 175.800 -0.443 0.000 1.096 470 F CA 2.359 60.209 58.000 -0.248 0.000 1.255 470 F CB -1.188 37.722 39.000 -0.150 0.000 0.997 470 F HN -0.172 nan 8.300 nan 0.000 0.479 471 R N 0.458 120.929 120.500 -0.048 0.000 2.096 471 R HA -0.197 4.216 4.340 0.122 0.000 0.240 471 R C 1.851 178.068 176.300 -0.140 0.000 1.139 471 R CA 2.193 58.244 56.100 -0.083 0.000 0.952 471 R CB -0.435 29.930 30.300 0.107 0.000 0.854 471 R HN 0.172 nan 8.270 nan 0.000 0.436 472 D N 0.028 120.362 120.400 -0.110 0.000 2.097 472 D HA -0.200 4.513 4.640 0.122 0.000 0.197 472 D C 1.828 177.914 176.300 -0.357 0.000 0.984 472 D CA 1.060 54.974 54.000 -0.143 0.000 0.826 472 D CB -0.225 40.599 40.800 0.040 0.000 0.973 472 D HN 0.219 nan 8.370 nan 0.000 0.460 473 M N 0.112 119.319 119.600 -0.655 0.000 2.159 473 M HA -0.073 4.480 4.480 0.122 0.000 0.263 473 M C 1.493 177.457 176.300 -0.559 0.000 1.063 473 M CA 1.119 55.958 55.300 -0.769 0.000 1.110 473 M CB -0.119 31.710 32.600 -1.285 0.000 1.374 473 M HN 0.012 nan 8.290 nan 0.000 0.411 474 L N 0.421 121.322 121.223 -0.537 0.000 2.607 474 L HA 0.070 4.483 4.340 0.122 0.000 0.228 474 L C 0.746 177.312 176.870 -0.507 0.000 1.123 474 L CA -0.283 54.229 54.840 -0.546 0.000 0.890 474 L CB -0.297 41.389 42.059 -0.620 0.000 1.103 474 L HN 0.206 nan 8.230 nan 0.000 0.468 475 K N -0.182 120.002 120.400 -0.361 0.000 2.436 475 K HA 0.092 4.486 4.320 0.122 0.000 0.275 475 K C -0.562 175.870 176.600 -0.280 0.000 0.999 475 K CA -0.144 55.984 56.287 -0.265 0.000 0.980 475 K CB 0.640 33.060 32.500 -0.133 0.000 0.919 475 K HN 0.065 nan 8.250 nan 0.000 0.484 476 H N 0.000 119.042 119.070 -0.047 0.000 2.539 476 H HA 0.000 4.629 4.556 0.122 0.000 0.296 476 H CA 0.000 56.034 56.048 -0.023 0.000 1.023 476 H CB 0.000 29.756 29.762 -0.011 0.000 1.292 476 H HN 0.000 nan 8.280 nan 0.000 0.496