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 3abo_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKLKTTLFGN VYQFKDVKEV LAKANELRSG DVLAGVAAAS SQERVAAKQV DATA SEQUENCE LSEMTVADIR NNPVIAYEDD CVTRLIQDDV NETAYNQIKN WSISELREYV DATA SEQUENCE LSDETSVDDI AFTRKGLTSE VVAAVAKICS NADLIYGAKK MPVIKKANTT DATA SEQUENCE IGIPGTFSAR LQPNDTRDDV QSIAAQIYEG LSFGVGDAVI GVNPVTDDVE DATA SEQUENCE NLSRVLDTIY GVIDKFNIPT QGCVLAHVTT QIEAIRRGAP GGLIFQSICG DATA SEQUENCE SEKGLKEFGV ELAMLDEARA VGAEFNRIAG ENCLYFETGQ GSALSAGANF DATA SEQUENCE GADQVTMEAR NYGLARHYDP FIVNTVVGFI GPEYLYNDRQ IIRAGLEDHF DATA SEQUENCE MGKLSGISMG CDCCYTNHAD ADQNLNENLM ILLATAGCNY IMGMPLGDDI DATA SEQUENCE MLNYQTTAFH DTATVRQLLN LRPSPEFERW LESMGIMANG RLTKRAGDPS DATA SEQUENCE LFF 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.325 176.300 0.042 0.000 1.140 1 M CA 0.000 55.322 55.300 0.036 0.000 0.988 1 M CB 0.000 32.623 32.600 0.039 0.000 1.302 2 K N 1.387 121.815 120.400 0.048 0.000 2.227 2 K HA 0.459 4.779 4.320 -0.000 0.000 0.280 2 K C -0.513 176.140 176.600 0.087 0.000 1.041 2 K CA -0.612 55.711 56.287 0.059 0.000 0.905 2 K CB 1.306 33.839 32.500 0.056 0.000 1.068 2 K HN 0.543 nan 8.250 nan 0.000 0.470 3 L N 3.221 124.507 121.223 0.104 0.000 2.848 3 L HA 0.236 4.576 4.340 -0.000 0.000 0.240 3 L C -0.117 176.889 176.870 0.226 0.000 1.232 3 L CA 0.576 55.517 54.840 0.170 0.000 1.031 3 L CB -0.906 41.240 42.059 0.146 0.000 1.338 3 L HN 0.563 nan 8.230 nan 0.000 0.509 4 K N -0.698 119.804 120.400 0.170 0.000 2.550 4 K HA 0.465 4.785 4.320 -0.000 0.000 0.252 4 K C -1.014 175.655 176.600 0.114 0.000 0.943 4 K CA -0.194 56.158 56.287 0.110 0.000 0.806 4 K CB 2.458 34.987 32.500 0.048 0.000 1.289 4 K HN -0.087 nan 8.250 nan 0.000 0.435 5 T N 0.840 115.469 114.554 0.124 0.000 2.864 5 T HA 0.481 4.831 4.350 -0.000 0.000 0.299 5 T C -1.315 173.454 174.700 0.115 0.000 1.166 5 T CA -0.348 61.813 62.100 0.101 0.000 1.007 5 T CB 1.745 70.671 68.868 0.097 0.000 1.219 5 T HN 0.456 nan 8.240 nan 0.000 0.506 6 T N 3.182 117.782 114.554 0.077 0.000 2.771 6 T HA 0.656 5.006 4.350 -0.000 0.000 0.281 6 T C -1.120 173.616 174.700 0.061 0.000 0.982 6 T CA -0.427 61.725 62.100 0.088 0.000 0.978 6 T CB 0.828 69.719 68.868 0.037 0.000 0.930 6 T HN 0.435 nan 8.240 nan 0.000 0.447 7 L N 4.576 125.888 121.223 0.149 0.000 2.376 7 L HA 0.549 4.889 4.340 -0.000 0.000 0.275 7 L C -0.447 176.477 176.870 0.090 0.000 0.987 7 L CA -0.494 54.330 54.840 -0.027 0.000 0.828 7 L CB 0.229 42.233 42.059 -0.092 0.000 1.249 7 L HN 0.804 nan 8.230 nan 0.000 0.409 8 F N 5.218 125.226 119.950 0.096 0.000 3.048 8 F HA -0.162 4.365 4.527 -0.000 0.000 0.269 8 F C 1.598 177.438 175.800 0.065 0.000 0.960 8 F CA 1.094 59.138 58.000 0.073 0.000 0.909 8 F CB -1.631 37.413 39.000 0.073 0.000 0.837 8 F HN 0.923 nan 8.300 nan 0.000 0.768 9 G N -1.109 107.783 108.800 0.152 0.000 2.199 9 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.254 9 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.254 9 G C 0.016 174.956 174.900 0.066 0.000 0.982 9 G CA 0.123 45.281 45.100 0.096 0.000 0.632 9 G HN 0.464 nan 8.290 nan 0.000 0.529 10 N N 0.362 119.120 118.700 0.096 0.000 2.421 10 N HA 0.513 5.253 4.740 -0.000 0.000 0.285 10 N C 0.045 175.517 175.510 -0.063 0.000 1.027 10 N CA -0.292 52.747 53.050 -0.018 0.000 0.918 10 N CB 2.134 40.584 38.487 -0.062 0.000 1.152 10 N HN 0.096 nan 8.380 nan 0.000 0.485 11 V N 3.089 122.911 119.914 -0.154 0.000 2.488 11 V HA 0.132 4.252 4.120 -0.000 0.000 0.277 11 V C -0.577 175.332 176.094 -0.309 0.000 1.046 11 V CA -0.152 62.073 62.300 -0.125 0.000 0.986 11 V CB -0.494 31.270 31.823 -0.099 0.000 0.989 11 V HN 0.467 nan 8.190 nan 0.000 0.475 12 Y N 3.723 123.937 120.300 -0.143 0.000 2.356 12 Y HA 0.530 5.080 4.550 -0.000 0.000 0.334 12 Y C 0.268 175.859 175.900 -0.516 0.000 0.958 12 Y CA -0.375 57.538 58.100 -0.312 0.000 1.196 12 Y CB 1.492 39.815 38.460 -0.229 0.000 1.137 12 Y HN 0.609 nan 8.280 nan 0.000 0.485 13 Q N 3.144 122.656 119.800 -0.480 0.000 2.282 13 Q HA 0.644 4.984 4.340 -0.000 0.000 0.260 13 Q C -1.822 173.801 176.000 -0.627 0.000 0.964 13 Q CA -0.392 55.166 55.803 -0.408 0.000 0.880 13 Q CB 0.978 29.604 28.738 -0.187 0.000 1.286 13 Q HN 0.534 nan 8.270 nan 0.000 0.445 14 F N 1.421 121.408 119.950 0.060 0.000 2.579 14 F HA 0.429 4.956 4.527 -0.000 0.000 0.324 14 F C 1.033 176.855 175.800 0.036 0.000 1.058 14 F CA -1.000 57.031 58.000 0.051 0.000 0.944 14 F CB 1.515 40.546 39.000 0.052 0.000 1.245 14 F HN 0.562 nan 8.300 nan 0.000 0.477 15 K N -0.136 120.397 120.400 0.221 0.000 2.076 15 K HA -0.014 4.306 4.320 -0.000 0.000 0.204 15 K C -0.692 175.974 176.600 0.109 0.000 1.051 15 K CA 1.484 57.845 56.287 0.123 0.000 0.949 15 K CB 0.123 32.680 32.500 0.095 0.000 0.726 15 K HN 0.862 nan 8.250 nan 0.000 0.443 16 D N -3.141 117.329 120.400 0.117 0.000 2.677 16 D HA 0.061 4.701 4.640 -0.000 0.000 0.298 16 D C 0.642 176.977 176.300 0.057 0.000 1.250 16 D CA -0.727 53.318 54.000 0.076 0.000 0.888 16 D CB 1.044 41.876 40.800 0.053 0.000 1.397 16 D HN -0.238 nan 8.370 nan 0.000 0.461 17 V N -0.100 119.834 119.914 0.033 0.000 2.332 17 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 17 V C 2.450 178.538 176.094 -0.010 0.000 1.055 17 V CA 2.346 64.651 62.300 0.008 0.000 1.038 17 V CB -0.787 31.043 31.823 0.010 0.000 0.651 17 V HN 0.689 nan 8.190 nan 0.000 0.450 18 K N 0.161 120.564 120.400 0.005 0.000 2.074 18 K HA -0.271 4.049 4.320 -0.000 0.000 0.209 18 K C 2.265 178.861 176.600 -0.007 0.000 1.048 18 K CA 2.146 58.435 56.287 0.003 0.000 0.926 18 K CB -0.217 32.295 32.500 0.020 0.000 0.713 18 K HN 0.583 nan 8.250 nan 0.000 0.444 19 E N -0.216 119.987 120.200 0.006 0.000 2.072 19 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 19 E C 1.846 178.366 176.600 -0.133 0.000 0.985 19 E CA 1.218 57.619 56.400 0.001 0.000 0.801 19 E CB 0.164 29.922 29.700 0.097 0.000 0.750 19 E HN 0.167 nan 8.360 nan 0.000 0.452 20 V N 1.471 121.263 119.914 -0.204 0.000 2.295 20 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 20 V C 2.496 178.438 176.094 -0.253 0.000 1.049 20 V CA 1.499 63.557 62.300 -0.404 0.000 1.024 20 V CB -0.470 31.189 31.823 -0.273 0.000 0.648 20 V HN 0.331 nan 8.190 nan 0.000 0.447 21 L N -0.040 121.105 121.223 -0.129 0.000 2.042 21 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 21 L C 2.682 179.510 176.870 -0.069 0.000 1.076 21 L CA 1.660 56.454 54.840 -0.077 0.000 0.749 21 L CB -0.716 41.321 42.059 -0.037 0.000 0.893 21 L HN 0.376 nan 8.230 nan 0.000 0.432 22 A N -0.155 122.625 122.820 -0.065 0.000 1.897 22 A HA -0.167 4.153 4.320 -0.000 0.000 0.215 22 A C 2.252 179.808 177.584 -0.046 0.000 1.181 22 A CA 1.399 53.414 52.037 -0.037 0.000 0.620 22 A CB -0.233 18.759 19.000 -0.013 0.000 0.821 22 A HN 0.306 nan 8.150 nan 0.000 0.443 23 K N -0.336 120.008 120.400 -0.093 0.000 2.418 23 K HA 0.212 4.532 4.320 -0.000 0.000 0.195 23 K C 1.902 178.445 176.600 -0.095 0.000 1.035 23 K CA 0.578 56.819 56.287 -0.078 0.000 1.003 23 K CB -0.048 32.400 32.500 -0.088 0.000 0.793 23 K HN 0.417 nan 8.250 nan 0.000 0.494 24 A N 1.445 124.189 122.820 -0.126 0.000 2.066 24 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 24 A C 0.601 178.158 177.584 -0.046 0.000 1.157 24 A CA 0.369 52.348 52.037 -0.096 0.000 0.670 24 A CB -0.261 18.677 19.000 -0.105 0.000 0.804 24 A HN 0.200 nan 8.150 nan 0.000 0.453 25 N N 2.199 120.881 118.700 -0.030 0.000 2.293 25 N HA 0.004 4.744 4.740 -0.000 0.000 0.253 25 N C -0.082 175.429 175.510 0.003 0.000 1.248 25 N CA 0.360 53.407 53.050 -0.004 0.000 0.845 25 N CB 0.211 38.703 38.487 0.008 0.000 1.073 25 N HN 0.308 nan 8.380 nan 0.000 0.464 26 E N 1.128 121.334 120.200 0.010 0.000 2.534 26 E HA -0.110 4.240 4.350 -0.000 0.000 0.264 26 E C 0.378 176.996 176.600 0.030 0.000 0.981 26 E CA -0.034 56.378 56.400 0.019 0.000 0.948 26 E CB 0.476 30.190 29.700 0.022 0.000 0.934 26 E HN 0.387 nan 8.360 nan 0.000 0.459 27 L N 4.377 125.619 121.223 0.033 0.000 2.628 27 L HA -0.086 4.254 4.340 -0.000 0.000 0.274 27 L C 0.650 177.553 176.870 0.054 0.000 1.209 27 L CA 1.102 55.965 54.840 0.039 0.000 0.930 27 L CB -0.228 41.853 42.059 0.037 0.000 1.183 27 L HN 0.580 nan 8.230 nan 0.000 0.492 28 R N 1.750 122.285 120.500 0.058 0.000 2.774 28 R HA 0.366 4.706 4.340 -0.000 0.000 0.272 28 R C 0.525 176.869 176.300 0.073 0.000 1.000 28 R CA -0.147 56.000 56.100 0.079 0.000 0.906 28 R CB 1.011 31.366 30.300 0.092 0.000 1.227 28 R HN 0.539 nan 8.270 nan 0.000 0.468 29 S N 0.159 115.911 115.700 0.087 0.000 2.447 29 S HA -0.060 4.410 4.470 -0.000 0.000 0.233 29 S C 1.736 176.382 174.600 0.077 0.000 1.006 29 S CA 0.819 59.048 58.200 0.049 0.000 0.957 29 S CB -0.276 62.946 63.200 0.038 0.000 0.773 29 S HN 0.810 nan 8.310 nan 0.000 0.507 30 G N 1.717 110.603 108.800 0.143 0.000 2.403 30 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.216 30 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.216 30 G C 1.142 176.124 174.900 0.136 0.000 1.154 30 G CA 0.797 46.030 45.100 0.221 0.000 0.784 30 G HN 0.473 nan 8.290 nan 0.000 0.538 31 D N 0.339 120.792 120.400 0.090 0.000 2.144 31 D HA -0.066 4.574 4.640 -0.000 0.000 0.200 31 D C 2.778 179.109 176.300 0.050 0.000 0.978 31 D CA 0.525 54.560 54.000 0.060 0.000 0.833 31 D CB -0.212 40.616 40.800 0.046 0.000 0.961 31 D HN 0.202 nan 8.370 nan 0.000 0.470 32 V N 1.216 121.157 119.914 0.045 0.000 2.358 32 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 32 V C 2.489 178.600 176.094 0.029 0.000 1.047 32 V CA 1.031 63.348 62.300 0.028 0.000 1.035 32 V CB -0.474 31.354 31.823 0.008 0.000 0.658 32 V HN 0.136 nan 8.190 nan 0.000 0.452 33 L N 1.133 122.380 121.223 0.041 0.000 2.083 33 L HA -0.062 4.278 4.340 -0.000 0.000 0.209 33 L C 2.335 179.239 176.870 0.055 0.000 1.083 33 L CA 2.351 57.218 54.840 0.045 0.000 0.752 33 L CB -0.786 41.312 42.059 0.064 0.000 0.899 33 L HN 0.208 nan 8.230 nan 0.000 0.433 34 A N -0.925 121.935 122.820 0.066 0.000 2.119 34 A HA 0.272 4.592 4.320 -0.000 0.000 0.217 34 A C 1.837 179.441 177.584 0.033 0.000 1.153 34 A CA 0.876 52.942 52.037 0.048 0.000 0.692 34 A CB -0.958 18.069 19.000 0.044 0.000 0.799 34 A HN 0.969 nan 8.150 nan 0.000 0.458 35 G N -1.808 107.013 108.800 0.034 0.000 2.132 35 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.234 35 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.234 35 G C 0.802 175.725 174.900 0.038 0.000 0.989 35 G CA 0.807 45.926 45.100 0.032 0.000 0.676 35 G HN 1.665 nan 8.290 nan 0.000 0.522 36 V N -3.362 116.575 119.914 0.039 0.000 3.477 36 V HA 0.808 4.928 4.120 -0.000 0.000 0.297 36 V C 1.296 177.415 176.094 0.042 0.000 1.433 36 V CA 0.865 63.189 62.300 0.041 0.000 1.052 36 V CB 0.072 31.914 31.823 0.031 0.000 0.895 36 V HN 1.604 nan 8.190 nan 0.000 0.438 37 A N 1.258 124.104 122.820 0.043 0.000 2.346 37 A HA 0.785 5.105 4.320 -0.000 0.000 0.252 37 A C 0.879 178.499 177.584 0.060 0.000 1.089 37 A CA 0.326 52.389 52.037 0.043 0.000 0.797 37 A CB 0.147 19.170 19.000 0.039 0.000 1.047 37 A HN 1.391 nan 8.150 nan 0.000 0.494 38 A N -0.045 122.811 122.820 0.060 0.000 2.483 38 A HA 0.465 4.785 4.320 -0.000 0.000 0.238 38 A C 1.369 179.005 177.584 0.088 0.000 1.070 38 A CA 0.379 52.472 52.037 0.092 0.000 0.770 38 A CB -0.204 18.843 19.000 0.078 0.000 1.008 38 A HN 1.958 nan 8.150 nan 0.000 0.497 39 A N 1.452 124.339 122.820 0.112 0.000 2.072 39 A HA 0.383 4.703 4.320 -0.000 0.000 0.216 39 A C 1.224 178.858 177.584 0.084 0.000 1.156 39 A CA 1.443 53.534 52.037 0.091 0.000 0.701 39 A CB -0.467 18.591 19.000 0.098 0.000 0.816 39 A HN 1.847 nan 8.150 nan 0.000 0.458 40 S N -3.546 112.213 115.700 0.099 0.000 2.671 40 S HA 0.473 4.943 4.470 -0.000 0.000 0.277 40 S C 0.560 175.202 174.600 0.069 0.000 1.165 40 S CA 0.243 58.493 58.200 0.085 0.000 0.822 40 S CB 1.015 64.280 63.200 0.109 0.000 1.150 40 S HN 0.001 nan 8.310 nan 0.000 0.479 41 S N 0.370 116.104 115.700 0.055 0.000 2.382 41 S HA -0.125 4.345 4.470 -0.000 0.000 0.228 41 S C 1.812 176.430 174.600 0.030 0.000 1.027 41 S CA 1.822 60.046 58.200 0.041 0.000 0.991 41 S CB -0.584 62.639 63.200 0.039 0.000 0.823 41 S HN 0.705 nan 8.310 nan 0.000 0.469 42 Q N 0.929 120.758 119.800 0.049 0.000 2.084 42 Q HA -0.044 4.296 4.340 -0.000 0.000 0.202 42 Q C 2.139 178.004 176.000 -0.224 0.000 0.978 42 Q CA 1.251 57.051 55.803 -0.005 0.000 0.844 42 Q CB -0.133 28.690 28.738 0.142 0.000 0.898 42 Q HN 0.535 nan 8.270 nan 0.000 0.426 43 E N 0.116 120.279 120.200 -0.062 0.000 2.208 43 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 43 E C 1.949 178.582 176.600 0.056 0.000 0.988 43 E CA 0.327 56.728 56.400 0.002 0.000 0.828 43 E CB 0.120 29.990 29.700 0.284 0.000 0.763 43 E HN 0.187 nan 8.360 nan 0.000 0.478 44 R N 0.130 120.641 120.500 0.019 0.000 2.073 44 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 44 R C 2.199 178.473 176.300 -0.044 0.000 1.134 44 R CA 1.575 57.670 56.100 -0.008 0.000 0.952 44 R CB -0.158 30.144 30.300 0.003 0.000 0.850 44 R HN 0.041 nan 8.270 nan 0.000 0.433 45 V N 1.049 120.927 119.914 -0.060 0.000 2.358 45 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 45 V C 2.481 178.518 176.094 -0.095 0.000 1.047 45 V CA 1.779 64.037 62.300 -0.071 0.000 1.035 45 V CB -0.699 31.089 31.823 -0.058 0.000 0.658 45 V HN 0.567 nan 8.190 nan 0.000 0.452 46 A N 0.233 122.957 122.820 -0.159 0.000 1.908 46 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 46 A C 2.442 180.083 177.584 0.095 0.000 1.181 46 A CA 2.248 54.230 52.037 -0.092 0.000 0.627 46 A CB -0.826 17.966 19.000 -0.345 0.000 0.818 46 A HN 0.573 nan 8.150 nan 0.000 0.445 47 A N -0.367 122.461 122.820 0.015 0.000 1.902 47 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 47 A C 2.122 179.592 177.584 -0.190 0.000 1.181 47 A CA 1.833 53.664 52.037 -0.343 0.000 0.623 47 A CB -0.450 18.256 19.000 -0.490 0.000 0.818 47 A HN 0.544 nan 8.150 nan 0.000 0.443 48 K N -0.863 119.473 120.400 -0.108 0.000 2.063 48 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 48 K C 2.425 178.997 176.600 -0.047 0.000 1.048 48 K CA 1.676 57.920 56.287 -0.071 0.000 0.928 48 K CB -0.173 32.295 32.500 -0.053 0.000 0.713 48 K HN 0.645 nan 8.250 nan 0.000 0.442 49 Q N 0.716 120.494 119.800 -0.035 0.000 2.079 49 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 49 Q C 2.113 178.117 176.000 0.007 0.000 0.974 49 Q CA 1.166 56.959 55.803 -0.016 0.000 0.840 49 Q CB 0.159 28.883 28.738 -0.023 0.000 0.898 49 Q HN 0.105 nan 8.270 nan 0.000 0.430 50 V N 1.362 121.295 119.914 0.032 0.000 2.287 50 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 50 V C 2.381 178.481 176.094 0.010 0.000 1.053 50 V CA 1.650 63.984 62.300 0.055 0.000 1.027 50 V CB -0.668 31.235 31.823 0.134 0.000 0.646 50 V HN 0.387 nan 8.190 nan 0.000 0.447 51 L N 1.204 122.405 121.223 -0.036 0.000 2.012 51 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 51 L C 2.735 179.605 176.870 0.001 0.000 1.073 51 L CA 2.622 57.444 54.840 -0.030 0.000 0.748 51 L CB -0.879 41.147 42.059 -0.056 0.000 0.891 51 L HN 0.536 nan 8.230 nan 0.000 0.431 52 S N -1.808 113.892 115.700 -0.000 0.000 2.419 52 S HA -0.134 4.336 4.470 -0.000 0.000 0.233 52 S C 1.735 176.346 174.600 0.019 0.000 1.016 52 S CA 1.111 59.318 58.200 0.011 0.000 0.974 52 S CB -0.481 62.719 63.200 0.000 0.000 0.786 52 S HN 0.557 nan 8.310 nan 0.000 0.492 53 E N 0.492 120.703 120.200 0.019 0.000 2.400 53 E HA 0.275 4.625 4.350 -0.000 0.000 0.195 53 E C 0.509 177.129 176.600 0.033 0.000 1.012 53 E CA 0.051 56.465 56.400 0.024 0.000 0.875 53 E CB -0.056 29.657 29.700 0.023 0.000 0.859 53 E HN 0.636 nan 8.360 nan 0.000 0.498 54 M N 1.429 121.049 119.600 0.034 0.000 2.248 54 M HA 0.018 4.498 4.480 -0.000 0.000 0.337 54 M C 0.900 177.230 176.300 0.050 0.000 1.121 54 M CA 0.231 55.555 55.300 0.040 0.000 1.155 54 M CB 0.544 33.165 32.600 0.034 0.000 1.514 54 M HN -0.093 nan 8.290 nan 0.000 0.452 55 T N -0.930 113.655 114.554 0.053 0.000 2.816 55 T HA 0.248 4.598 4.350 -0.000 0.000 0.282 55 T C 1.148 175.888 174.700 0.067 0.000 0.993 55 T CA -1.086 61.053 62.100 0.064 0.000 0.994 55 T CB 0.953 69.850 68.868 0.049 0.000 1.025 55 T HN 0.425 nan 8.240 nan 0.000 0.529 56 V N 1.685 121.641 119.914 0.069 0.000 2.332 56 V HA -0.168 3.952 4.120 -0.000 0.000 0.248 56 V C 3.115 179.274 176.094 0.110 0.000 1.055 56 V CA 2.401 64.742 62.300 0.068 0.000 1.038 56 V CB -1.687 30.137 31.823 0.003 0.000 0.651 56 V HN 1.079 nan 8.190 nan 0.000 0.450 57 A N -0.197 122.671 122.820 0.080 0.000 1.908 57 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 57 A C 2.010 179.656 177.584 0.104 0.000 1.181 57 A CA 2.060 54.187 52.037 0.150 0.000 0.627 57 A CB -0.638 18.408 19.000 0.077 0.000 0.818 57 A HN 0.550 nan 8.150 nan 0.000 0.445 58 D N -0.283 120.157 120.400 0.067 0.000 2.123 58 D HA -0.125 4.515 4.640 -0.000 0.000 0.196 58 D C 1.722 178.047 176.300 0.043 0.000 0.992 58 D CA 1.406 55.435 54.000 0.049 0.000 0.833 58 D CB -0.226 40.599 40.800 0.042 0.000 0.954 58 D HN 0.504 nan 8.370 nan 0.000 0.455 59 I N 0.076 120.676 120.570 0.049 0.000 2.585 59 I HA -0.046 4.124 4.170 -0.000 0.000 0.254 59 I C 2.423 178.556 176.117 0.027 0.000 1.129 59 I CA 0.158 61.479 61.300 0.035 0.000 1.455 59 I CB 0.008 38.031 38.000 0.038 0.000 1.111 59 I HN -0.162 nan 8.210 nan 0.000 0.433 60 R N 1.232 121.760 120.500 0.047 0.000 2.091 60 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 60 R C 1.239 177.520 176.300 -0.032 0.000 1.136 60 R CA 1.565 57.667 56.100 0.003 0.000 0.959 60 R CB -0.309 30.007 30.300 0.026 0.000 0.856 60 R HN 0.344 nan 8.270 nan 0.000 0.437 61 N N 0.803 119.501 118.700 -0.003 0.000 2.398 61 N HA -0.004 4.736 4.740 -0.000 0.000 0.188 61 N C -0.451 175.050 175.510 -0.014 0.000 1.122 61 N CA 0.353 53.391 53.050 -0.020 0.000 0.866 61 N CB 0.213 38.701 38.487 0.001 0.000 0.970 61 N HN 0.204 nan 8.380 nan 0.000 0.462 62 N N 1.456 120.153 118.700 -0.006 0.000 2.844 62 N HA 0.195 4.935 4.740 -0.000 0.000 0.268 62 N C -2.734 172.768 175.510 -0.012 0.000 1.574 62 N CA -0.774 52.272 53.050 -0.006 0.000 0.838 62 N CB 1.988 40.477 38.487 0.004 0.000 1.177 62 N HN 0.121 nan 8.380 nan 0.000 0.495 63 P HA 0.043 nan 4.420 nan 0.000 0.274 63 P C 1.386 178.661 177.300 -0.041 0.000 1.231 63 P CA -0.287 62.793 63.100 -0.032 0.000 0.790 63 P CB 1.337 33.015 31.700 -0.037 0.000 0.951 64 V N -0.562 119.325 119.914 -0.045 0.000 2.871 64 V HA 0.045 4.165 4.120 -0.000 0.000 0.256 64 V C 0.932 176.982 176.094 -0.074 0.000 1.082 64 V CA 0.964 63.244 62.300 -0.034 0.000 1.105 64 V CB -1.064 30.753 31.823 -0.010 0.000 0.713 64 V HN 0.258 nan 8.190 nan 0.000 0.473 65 I N 1.052 121.536 120.570 -0.144 0.000 2.509 65 I HA 0.766 4.936 4.170 -0.000 0.000 0.293 65 I C 0.422 176.421 176.117 -0.196 0.000 1.020 65 I CA -0.521 60.614 61.300 -0.273 0.000 1.088 65 I CB 1.546 39.249 38.000 -0.494 0.000 1.267 65 I HN 0.099 nan 8.210 nan 0.000 0.430 66 A N 4.165 126.879 122.820 -0.177 0.000 2.366 66 A HA 0.197 4.517 4.320 -0.000 0.000 0.249 66 A C 0.783 178.331 177.584 -0.060 0.000 1.084 66 A CA 0.062 52.050 52.037 -0.082 0.000 0.794 66 A CB -0.026 18.938 19.000 -0.059 0.000 1.034 66 A HN 0.839 nan 8.150 nan 0.000 0.491 67 Y N 0.634 120.866 120.300 -0.114 0.000 2.081 67 Y HA -0.280 4.270 4.550 -0.000 0.000 0.280 67 Y C 2.476 178.314 175.900 -0.103 0.000 1.163 67 Y CA 2.802 60.838 58.100 -0.107 0.000 1.135 67 Y CB 0.087 38.492 38.460 -0.092 0.000 0.970 67 Y HN 0.799 nan 8.280 nan 0.000 0.498 68 E N -1.098 119.144 120.200 0.070 0.000 2.418 68 E HA -0.155 4.195 4.350 -0.000 0.000 0.197 68 E C 0.620 177.163 176.600 -0.094 0.000 1.026 68 E CA 1.330 57.734 56.400 0.007 0.000 0.862 68 E CB -0.211 29.522 29.700 0.055 0.000 0.799 68 E HN 0.559 nan 8.360 nan 0.000 0.518 69 D N 0.495 120.815 120.400 -0.133 0.000 2.407 69 D HA 0.094 4.734 4.640 -0.000 0.000 0.208 69 D C -0.320 175.857 176.300 -0.205 0.000 1.083 69 D CA 0.277 54.183 54.000 -0.157 0.000 0.844 69 D CB 0.582 41.274 40.800 -0.180 0.000 0.967 69 D HN 0.131 nan 8.370 nan 0.000 0.506 70 D N 0.411 120.668 120.400 -0.238 0.000 2.890 70 D HA 0.028 4.668 4.640 -0.000 0.000 0.233 70 D C 1.146 177.286 176.300 -0.268 0.000 1.306 70 D CA -0.436 53.416 54.000 -0.246 0.000 0.929 70 D CB 1.510 42.143 40.800 -0.278 0.000 1.512 70 D HN 0.034 nan 8.370 nan 0.000 0.568 71 C N 1.903 121.071 119.300 -0.219 0.000 2.468 71 C HA 0.087 4.547 4.460 -0.000 0.000 0.277 71 C C 2.198 177.056 174.990 -0.220 0.000 1.400 71 C CA 0.021 58.904 59.018 -0.225 0.000 1.770 71 C CB -1.107 26.538 27.740 -0.158 0.000 1.905 71 C HN 0.471 nan 8.230 nan 0.000 0.519 72 V N 1.934 121.735 119.914 -0.190 0.000 2.379 72 V HA -0.151 3.969 4.120 -0.000 0.000 0.245 72 V C 2.897 178.884 176.094 -0.179 0.000 1.044 72 V CA 2.634 64.832 62.300 -0.171 0.000 1.036 72 V CB -1.297 30.438 31.823 -0.145 0.000 0.664 72 V HN 0.608 nan 8.190 nan 0.000 0.453 73 T N -0.023 114.416 114.554 -0.192 0.000 2.665 73 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 73 T C 2.066 176.647 174.700 -0.198 0.000 1.035 73 T CA 1.697 63.695 62.100 -0.170 0.000 1.151 73 T CB -0.274 68.494 68.868 -0.167 0.000 0.862 73 T HN 0.412 nan 8.240 nan 0.000 0.438 74 R N 0.152 120.420 120.500 -0.386 0.000 2.081 74 R HA -0.009 4.331 4.340 -0.000 0.000 0.235 74 R C 2.447 178.612 176.300 -0.225 0.000 1.131 74 R CA 1.046 56.834 56.100 -0.521 0.000 0.960 74 R CB -0.659 29.202 30.300 -0.733 0.000 0.856 74 R HN 0.249 nan 8.270 nan 0.000 0.436 75 L N 1.055 122.134 121.223 -0.240 0.000 2.046 75 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 75 L C 2.092 178.861 176.870 -0.168 0.000 1.077 75 L CA 1.570 56.255 54.840 -0.259 0.000 0.747 75 L CB -0.185 41.673 42.059 -0.335 0.000 0.896 75 L HN 0.120 nan 8.230 nan 0.000 0.432 76 I N -1.203 119.293 120.570 -0.125 0.000 2.202 76 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 76 I C 2.422 178.507 176.117 -0.053 0.000 1.091 76 I CA 0.930 62.184 61.300 -0.076 0.000 1.368 76 I CB -0.362 37.595 38.000 -0.071 0.000 1.058 76 I HN 0.340 nan 8.210 nan 0.000 0.410 77 Q N 0.303 120.089 119.800 -0.025 0.000 2.119 77 Q HA -0.181 4.159 4.340 -0.000 0.000 0.201 77 Q C 1.606 177.601 176.000 -0.008 0.000 0.972 77 Q CA 1.309 57.110 55.803 -0.003 0.000 0.847 77 Q CB -0.374 28.436 28.738 0.121 0.000 0.903 77 Q HN 0.503 nan 8.270 nan 0.000 0.433 78 D N 0.577 120.995 120.400 0.030 0.000 2.348 78 D HA -0.073 4.567 4.640 -0.000 0.000 0.216 78 D C 0.631 176.929 176.300 -0.004 0.000 0.970 78 D CA 0.602 54.614 54.000 0.020 0.000 0.889 78 D CB 0.050 40.871 40.800 0.034 0.000 0.912 78 D HN 0.145 nan 8.370 nan 0.000 0.524 79 D N -0.302 120.091 120.400 -0.011 0.000 2.350 79 D HA 0.016 4.656 4.640 -0.000 0.000 0.213 79 D C 0.170 176.455 176.300 -0.025 0.000 1.031 79 D CA 0.022 54.026 54.000 0.007 0.000 0.861 79 D CB 0.656 41.480 40.800 0.040 0.000 0.926 79 D HN -0.039 nan 8.370 nan 0.000 0.520 80 V N 2.227 122.107 119.914 -0.057 0.000 2.529 80 V HA -0.062 4.058 4.120 -0.000 0.000 0.292 80 V C 0.882 176.933 176.094 -0.071 0.000 1.028 80 V CA -0.418 61.829 62.300 -0.087 0.000 1.074 80 V CB 0.561 32.291 31.823 -0.155 0.000 0.958 80 V HN 0.152 nan 8.190 nan 0.000 0.481 81 N N 4.847 123.500 118.700 -0.078 0.000 2.406 81 N HA 0.006 4.746 4.740 -0.000 0.000 0.265 81 N C 0.996 176.471 175.510 -0.058 0.000 1.203 81 N CA -0.101 52.908 53.050 -0.069 0.000 0.945 81 N CB 0.951 39.368 38.487 -0.116 0.000 1.165 81 N HN 0.605 nan 8.380 nan 0.000 0.485 82 E N 2.207 122.401 120.200 -0.011 0.000 2.274 82 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 82 E C 1.116 177.758 176.600 0.070 0.000 0.996 82 E CA 0.870 57.296 56.400 0.044 0.000 0.840 82 E CB 0.029 29.742 29.700 0.021 0.000 0.772 82 E HN 0.606 nan 8.360 nan 0.000 0.491 83 T N 1.213 115.796 114.554 0.048 0.000 2.737 83 T HA -0.067 4.283 4.350 -0.000 0.000 0.265 83 T C 1.993 176.701 174.700 0.014 0.000 1.038 83 T CA 1.368 63.515 62.100 0.078 0.000 1.144 83 T CB -0.131 68.844 68.868 0.179 0.000 0.866 83 T HN 0.259 nan 8.240 nan 0.000 0.434 84 A N 0.705 123.412 122.820 -0.190 0.000 1.902 84 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 84 A C 2.098 179.481 177.584 -0.335 0.000 1.181 84 A CA 1.628 53.323 52.037 -0.570 0.000 0.623 84 A CB -1.039 17.277 19.000 -1.139 0.000 0.818 84 A HN 0.596 nan 8.150 nan 0.000 0.443 85 Y N 1.441 121.559 120.300 -0.304 0.000 2.145 85 Y HA -0.227 4.323 4.550 -0.000 0.000 0.286 85 Y C 2.092 177.851 175.900 -0.236 0.000 1.145 85 Y CA 2.149 60.097 58.100 -0.253 0.000 1.148 85 Y CB -0.351 38.003 38.460 -0.177 0.000 0.981 85 Y HN 0.312 nan 8.280 nan 0.000 0.507 86 N N 0.417 118.943 118.700 -0.290 0.000 2.289 86 N HA -0.162 4.578 4.740 -0.000 0.000 0.184 86 N C 1.678 176.983 175.510 -0.341 0.000 1.016 86 N CA 1.460 54.310 53.050 -0.334 0.000 0.872 86 N CB -0.315 38.109 38.487 -0.106 0.000 0.973 86 N HN 0.623 nan 8.380 nan 0.000 0.433 87 Q N -0.060 119.549 119.800 -0.317 0.000 2.167 87 Q HA -0.016 4.324 4.340 -0.000 0.000 0.202 87 Q C 1.630 177.250 176.000 -0.633 0.000 0.970 87 Q CA 0.961 56.569 55.803 -0.326 0.000 0.855 87 Q CB 0.085 28.691 28.738 -0.219 0.000 0.911 87 Q HN 0.579 nan 8.270 nan 0.000 0.438 88 I N -2.835 117.214 120.570 -0.868 0.000 4.154 88 I HA 0.119 4.289 4.170 -0.000 0.000 0.334 88 I C 1.603 177.223 176.117 -0.830 0.000 1.371 88 I CA -0.231 60.224 61.300 -1.408 0.000 1.110 88 I CB 0.191 37.343 38.000 -1.413 0.000 1.085 88 I HN -0.094 nan 8.210 nan 0.000 0.398 89 K N 0.759 120.736 120.400 -0.705 0.000 2.211 89 K HA 0.015 4.335 4.320 -0.000 0.000 0.203 89 K C 0.884 177.333 176.600 -0.253 0.000 1.050 89 K CA 1.377 57.287 56.287 -0.629 0.000 0.945 89 K CB -0.337 31.556 32.500 -1.010 0.000 0.732 89 K HN 0.270 nan 8.250 nan 0.000 0.451 90 N N -0.066 118.542 118.700 -0.154 0.000 2.280 90 N HA 0.018 4.758 4.740 -0.000 0.000 0.192 90 N C -0.796 174.827 175.510 0.188 0.000 1.109 90 N CA 0.034 53.093 53.050 0.016 0.000 0.855 90 N CB 0.134 38.632 38.487 0.019 0.000 0.974 90 N HN 0.179 nan 8.380 nan 0.000 0.482 91 W N 2.970 124.211 121.300 -0.098 0.000 2.264 91 W HA 0.087 4.747 4.660 -0.000 0.000 0.331 91 W C 1.286 177.779 176.519 -0.043 0.000 1.364 91 W CA -1.267 56.035 57.345 -0.071 0.000 1.253 91 W CB -0.248 29.154 29.460 -0.096 0.000 1.215 91 W HN -0.099 nan 8.180 nan 0.000 0.561 92 S N 3.144 118.939 115.700 0.159 0.000 2.584 92 S HA 0.115 4.585 4.470 -0.000 0.000 0.270 92 S C 1.107 175.779 174.600 0.120 0.000 1.346 92 S CA -0.644 57.615 58.200 0.100 0.000 1.018 92 S CB 0.931 64.157 63.200 0.044 0.000 0.899 92 S HN 0.328 nan 8.310 nan 0.000 0.542 93 I N 1.669 122.296 120.570 0.095 0.000 2.394 93 I HA -0.109 4.061 4.170 -0.000 0.000 0.251 93 I C 2.782 178.949 176.117 0.084 0.000 1.136 93 I CA 1.477 62.838 61.300 0.101 0.000 1.425 93 I CB -2.088 35.957 38.000 0.074 0.000 1.079 93 I HN 0.923 nan 8.210 nan 0.000 0.425 94 S N 0.886 116.615 115.700 0.049 0.000 2.370 94 S HA -0.239 4.231 4.470 -0.000 0.000 0.226 94 S C 1.912 176.523 174.600 0.018 0.000 1.033 94 S CA 1.763 59.978 58.200 0.026 0.000 1.011 94 S CB -0.112 63.090 63.200 0.004 0.000 0.852 94 S HN 0.509 nan 8.310 nan 0.000 0.457 95 E N -0.084 120.113 120.200 -0.005 0.000 2.107 95 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 95 E C 2.000 178.587 176.600 -0.022 0.000 0.982 95 E CA 1.010 57.352 56.400 -0.095 0.000 0.809 95 E CB -0.197 29.356 29.700 -0.245 0.000 0.756 95 E HN 0.402 nan 8.360 nan 0.000 0.459 96 L N 1.364 122.676 121.223 0.147 0.000 2.056 96 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 96 L C 2.304 179.349 176.870 0.292 0.000 1.078 96 L CA 1.667 56.696 54.840 0.316 0.000 0.749 96 L CB -0.396 41.858 42.059 0.326 0.000 0.901 96 L HN -0.061 nan 8.230 nan 0.000 0.433 97 R N -0.211 120.407 120.500 0.196 0.000 2.096 97 R HA -0.218 4.122 4.340 -0.000 0.000 0.240 97 R C 2.085 178.475 176.300 0.150 0.000 1.139 97 R CA 2.210 58.412 56.100 0.170 0.000 0.952 97 R CB -0.327 30.029 30.300 0.092 0.000 0.854 97 R HN 0.539 nan 8.270 nan 0.000 0.436 98 E N -0.838 119.422 120.200 0.101 0.000 2.150 98 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 98 E C 1.740 178.398 176.600 0.095 0.000 0.985 98 E CA 1.151 57.589 56.400 0.064 0.000 0.814 98 E CB -0.220 29.486 29.700 0.010 0.000 0.752 98 E HN 0.428 nan 8.360 nan 0.000 0.466 99 Y N 1.312 121.614 120.300 0.003 0.000 2.145 99 Y HA -0.261 4.289 4.550 -0.000 0.000 0.286 99 Y C 2.154 178.126 175.900 0.120 0.000 1.145 99 Y CA 1.281 59.405 58.100 0.040 0.000 1.148 99 Y CB -0.320 38.185 38.460 0.075 0.000 0.981 99 Y HN -0.200 nan 8.280 nan 0.000 0.507 100 V N 0.689 120.731 119.914 0.214 0.000 2.332 100 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 100 V C 2.355 178.508 176.094 0.097 0.000 1.055 100 V CA 2.134 64.519 62.300 0.143 0.000 1.038 100 V CB -0.697 31.307 31.823 0.301 0.000 0.651 100 V HN 0.469 nan 8.190 nan 0.000 0.450 101 L N -0.340 120.960 121.223 0.128 0.000 2.418 101 L HA 0.068 4.408 4.340 -0.000 0.000 0.218 101 L C 1.451 178.398 176.870 0.127 0.000 1.125 101 L CA 0.204 55.142 54.840 0.164 0.000 0.835 101 L CB -0.156 41.975 42.059 0.120 0.000 0.953 101 L HN 0.288 nan 8.230 nan 0.000 0.454 102 S N 0.121 115.840 115.700 0.032 0.000 2.549 102 S HA -0.048 4.422 4.470 -0.000 0.000 0.283 102 S C 0.904 175.520 174.600 0.027 0.000 1.320 102 S CA -0.597 57.606 58.200 0.005 0.000 1.058 102 S CB 0.582 63.753 63.200 -0.048 0.000 0.882 102 S HN 0.184 nan 8.310 nan 0.000 0.498 103 D N 2.744 123.177 120.400 0.056 0.000 2.348 103 D HA -0.024 4.616 4.640 -0.000 0.000 0.216 103 D C 1.110 177.424 176.300 0.022 0.000 0.970 103 D CA 0.648 54.689 54.000 0.069 0.000 0.889 103 D CB 0.157 41.007 40.800 0.082 0.000 0.912 103 D HN 0.637 nan 8.370 nan 0.000 0.524 104 E N 0.072 120.271 120.200 -0.001 0.000 2.489 104 E HA 0.025 4.375 4.350 -0.000 0.000 0.193 104 E C 0.225 176.803 176.600 -0.035 0.000 1.057 104 E CA 0.244 56.640 56.400 -0.006 0.000 0.866 104 E CB 0.097 29.800 29.700 0.005 0.000 0.916 104 E HN 0.067 nan 8.360 nan 0.000 0.500 105 T N 2.097 116.591 114.554 -0.100 0.000 2.728 105 T HA 0.228 4.578 4.350 -0.000 0.000 0.296 105 T C 0.411 175.051 174.700 -0.101 0.000 0.940 105 T CA -0.371 61.613 62.100 -0.194 0.000 1.013 105 T CB 0.996 69.563 68.868 -0.501 0.000 0.912 105 T HN 0.065 nan 8.240 nan 0.000 0.484 106 S N 2.505 118.179 115.700 -0.043 0.000 2.669 106 S HA 0.298 4.768 4.470 -0.000 0.000 0.270 106 S C 1.651 176.249 174.600 -0.004 0.000 1.225 106 S CA -0.921 57.273 58.200 -0.010 0.000 0.991 106 S CB 0.726 63.935 63.200 0.015 0.000 0.987 106 S HN 0.308 nan 8.310 nan 0.000 0.552 107 V N 1.101 121.016 119.914 0.001 0.000 2.324 107 V HA -0.189 3.931 4.120 -0.000 0.000 0.250 107 V C 2.151 178.267 176.094 0.038 0.000 1.060 107 V CA 2.337 64.643 62.300 0.010 0.000 1.042 107 V CB -1.004 30.822 31.823 0.005 0.000 0.650 107 V HN 0.835 nan 8.190 nan 0.000 0.450 108 D N -0.353 120.074 120.400 0.046 0.000 2.149 108 D HA -0.119 4.521 4.640 -0.000 0.000 0.201 108 D C 1.944 178.312 176.300 0.114 0.000 0.972 108 D CA 1.068 55.108 54.000 0.067 0.000 0.835 108 D CB -0.306 40.523 40.800 0.049 0.000 0.966 108 D HN 0.424 nan 8.370 nan 0.000 0.476 109 D N 0.455 120.927 120.400 0.119 0.000 2.104 109 D HA -0.107 4.533 4.640 -0.000 0.000 0.194 109 D C 2.235 178.699 176.300 0.274 0.000 0.994 109 D CA 0.567 54.692 54.000 0.210 0.000 0.830 109 D CB -0.243 40.665 40.800 0.180 0.000 0.959 109 D HN 0.266 nan 8.370 nan 0.000 0.452 110 I N 0.995 121.674 120.570 0.181 0.000 2.546 110 I HA -0.183 3.987 4.170 -0.000 0.000 0.255 110 I C 2.395 178.594 176.117 0.136 0.000 1.163 110 I CA 0.512 61.923 61.300 0.184 0.000 1.457 110 I CB -0.058 37.994 38.000 0.086 0.000 1.092 110 I HN -0.093 nan 8.210 nan 0.000 0.434 111 A N 0.642 123.537 122.820 0.126 0.000 1.908 111 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 111 A C 2.257 179.941 177.584 0.166 0.000 1.181 111 A CA 1.714 53.820 52.037 0.115 0.000 0.627 111 A CB -0.951 18.112 19.000 0.105 0.000 0.818 111 A HN 0.486 nan 8.150 nan 0.000 0.445 112 F N 0.541 120.518 119.950 0.045 0.000 2.187 112 F HA -0.086 4.441 4.527 -0.000 0.000 0.295 112 F C 2.551 178.362 175.800 0.018 0.000 1.091 112 F CA 1.807 59.824 58.000 0.028 0.000 1.308 112 F CB -0.085 38.932 39.000 0.028 0.000 1.030 112 F HN 0.205 nan 8.300 nan 0.000 0.487 113 T N 1.234 115.801 114.554 0.020 0.000 2.746 113 T HA -0.239 4.111 4.350 -0.000 0.000 0.267 113 T C 1.813 176.425 174.700 -0.147 0.000 1.039 113 T CA 1.765 63.795 62.100 -0.116 0.000 1.142 113 T CB -0.435 68.494 68.868 0.102 0.000 0.866 113 T HN 0.402 nan 8.240 nan 0.000 0.444 114 R N 1.610 122.080 120.500 -0.050 0.000 2.189 114 R HA 0.051 4.391 4.340 -0.000 0.000 0.223 114 R C 1.939 178.183 176.300 -0.093 0.000 1.092 114 R CA 1.224 57.294 56.100 -0.049 0.000 0.989 114 R CB -0.293 29.995 30.300 -0.021 0.000 0.876 114 R HN 0.250 nan 8.270 nan 0.000 0.457 115 K N 0.418 120.723 120.400 -0.158 0.000 2.365 115 K HA 0.020 4.340 4.320 -0.000 0.000 0.199 115 K C 1.703 178.187 176.600 -0.194 0.000 1.045 115 K CA 1.022 57.207 56.287 -0.170 0.000 0.962 115 K CB 0.148 32.526 32.500 -0.204 0.000 0.759 115 K HN 0.482 nan 8.250 nan 0.000 0.469 116 G N 0.744 109.403 108.800 -0.235 0.000 2.985 116 G HA2 0.090 4.050 3.960 -0.000 0.000 0.209 116 G HA3 0.090 4.050 3.960 -0.000 0.000 0.209 116 G C 0.392 175.276 174.900 -0.026 0.000 1.165 116 G CA -0.179 44.839 45.100 -0.137 0.000 0.776 116 G HN -0.001 nan 8.290 nan 0.000 0.541 117 L N 1.351 122.541 121.223 -0.055 0.000 2.379 117 L HA 0.481 4.821 4.340 -0.000 0.000 0.269 117 L C 0.830 177.683 176.870 -0.028 0.000 1.084 117 L CA -0.755 54.076 54.840 -0.016 0.000 0.802 117 L CB 1.699 43.752 42.059 -0.011 0.000 1.175 117 L HN 0.081 nan 8.230 nan 0.000 0.448 118 T N -2.646 111.897 114.554 -0.018 0.000 2.937 118 T HA 0.259 4.609 4.350 -0.000 0.000 0.283 118 T C 0.918 175.616 174.700 -0.003 0.000 1.012 118 T CA -0.691 61.392 62.100 -0.027 0.000 0.997 118 T CB 1.593 70.433 68.868 -0.047 0.000 1.136 118 T HN 0.458 nan 8.240 nan 0.000 0.551 119 S N 0.171 115.866 115.700 -0.009 0.000 2.382 119 S HA -0.091 4.379 4.470 -0.000 0.000 0.228 119 S C 1.887 176.493 174.600 0.010 0.000 1.027 119 S CA 1.319 59.522 58.200 0.004 0.000 0.991 119 S CB -0.496 62.691 63.200 -0.023 0.000 0.823 119 S HN 0.814 nan 8.310 nan 0.000 0.469 120 E N 0.882 121.081 120.200 -0.001 0.000 2.077 120 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 120 E C 2.082 178.700 176.600 0.030 0.000 0.989 120 E CA 0.953 57.357 56.400 0.007 0.000 0.800 120 E CB -0.339 29.359 29.700 -0.004 0.000 0.746 120 E HN 0.293 nan 8.360 nan 0.000 0.452 121 V N 0.056 119.993 119.914 0.037 0.000 2.358 121 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 121 V C 2.215 178.360 176.094 0.085 0.000 1.047 121 V CA 1.263 63.600 62.300 0.061 0.000 1.035 121 V CB -0.507 31.353 31.823 0.061 0.000 0.658 121 V HN 0.137 nan 8.190 nan 0.000 0.452 122 V N 0.531 120.492 119.914 0.078 0.000 2.287 122 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 122 V C 2.780 178.969 176.094 0.157 0.000 1.053 122 V CA 2.135 64.498 62.300 0.106 0.000 1.027 122 V CB -1.173 30.695 31.823 0.074 0.000 0.646 122 V HN 0.561 nan 8.190 nan 0.000 0.447 123 A N -0.007 122.880 122.820 0.112 0.000 1.908 123 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 123 A C 2.434 180.079 177.584 0.101 0.000 1.181 123 A CA 2.311 54.411 52.037 0.105 0.000 0.627 123 A CB -0.863 18.167 19.000 0.050 0.000 0.818 123 A HN 0.604 nan 8.150 nan 0.000 0.445 124 A N -0.644 122.226 122.820 0.083 0.000 1.933 124 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 124 A C 2.233 179.869 177.584 0.086 0.000 1.175 124 A CA 1.852 53.928 52.037 0.065 0.000 0.628 124 A CB -0.888 18.146 19.000 0.057 0.000 0.814 124 A HN 0.420 nan 8.150 nan 0.000 0.444 125 V N -0.183 119.818 119.914 0.145 0.000 2.307 125 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 125 V C 3.047 179.212 176.094 0.119 0.000 1.045 125 V CA 1.850 64.257 62.300 0.178 0.000 1.024 125 V CB -1.332 30.677 31.823 0.311 0.000 0.651 125 V HN 0.601 nan 8.190 nan 0.000 0.449 126 A N -0.219 122.714 122.820 0.188 0.000 1.978 126 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 126 A C 2.258 179.823 177.584 -0.031 0.000 1.170 126 A CA 2.105 54.157 52.037 0.026 0.000 0.636 126 A CB -0.467 18.662 19.000 0.215 0.000 0.810 126 A HN 0.568 nan 8.150 nan 0.000 0.448 127 K N -0.481 119.928 120.400 0.015 0.000 2.217 127 K HA 0.034 4.354 4.320 -0.000 0.000 0.202 127 K C 1.235 177.819 176.600 -0.026 0.000 1.051 127 K CA 1.327 57.611 56.287 -0.005 0.000 0.952 127 K CB -0.191 32.308 32.500 -0.001 0.000 0.736 127 K HN 0.819 nan 8.250 nan 0.000 0.453 128 I N -2.743 117.810 120.570 -0.027 0.000 3.889 128 I HA 0.230 4.400 4.170 -0.000 0.000 0.332 128 I C -0.343 175.740 176.117 -0.056 0.000 1.493 128 I CA -0.721 60.559 61.300 -0.033 0.000 1.158 128 I CB 0.237 38.228 38.000 -0.015 0.000 1.117 128 I HN -0.160 nan 8.210 nan 0.000 0.411 129 C N 1.850 121.089 119.300 -0.101 0.000 2.341 129 C HA 0.598 5.058 4.460 -0.000 0.000 0.338 129 C C 1.351 176.275 174.990 -0.110 0.000 1.257 129 C CA -0.312 58.615 59.018 -0.151 0.000 1.883 129 C CB 1.220 28.759 27.740 -0.335 0.000 2.334 129 C HN 0.713 nan 8.230 nan 0.000 0.524 130 S N 3.280 118.930 115.700 -0.084 0.000 2.626 130 S HA 0.100 4.570 4.470 -0.000 0.000 0.257 130 S C 0.991 175.556 174.600 -0.058 0.000 1.288 130 S CA 0.100 58.267 58.200 -0.055 0.000 0.980 130 S CB 0.396 63.574 63.200 -0.038 0.000 0.975 130 S HN 0.736 nan 8.310 nan 0.000 0.577 131 N N 1.065 119.749 118.700 -0.026 0.000 2.120 131 N HA -0.008 4.732 4.740 -0.000 0.000 0.188 131 N C 1.932 177.446 175.510 0.008 0.000 1.024 131 N CA 1.763 54.809 53.050 -0.007 0.000 0.852 131 N CB -1.162 37.331 38.487 0.009 0.000 1.003 131 N HN 0.780 nan 8.380 nan 0.000 0.424 132 A N 0.822 123.647 122.820 0.009 0.000 1.969 132 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 132 A C 1.647 179.261 177.584 0.050 0.000 1.169 132 A CA 1.420 53.477 52.037 0.034 0.000 0.635 132 A CB -0.379 18.629 19.000 0.013 0.000 0.810 132 A HN 0.131 nan 8.150 nan 0.000 0.445 133 D N 0.414 120.811 120.400 -0.005 0.000 2.104 133 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 133 D C 1.899 178.161 176.300 -0.063 0.000 0.994 133 D CA 1.246 55.230 54.000 -0.027 0.000 0.830 133 D CB -0.429 40.311 40.800 -0.100 0.000 0.959 133 D HN 0.467 nan 8.370 nan 0.000 0.452 134 L N 0.179 121.315 121.223 -0.145 0.000 2.083 134 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 134 L C 2.503 179.452 176.870 0.132 0.000 1.083 134 L CA 0.621 55.352 54.840 -0.180 0.000 0.752 134 L CB -0.227 41.759 42.059 -0.121 0.000 0.899 134 L HN 0.012 nan 8.230 nan 0.000 0.433 135 I N -1.742 118.911 120.570 0.139 0.000 2.233 135 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 135 I C 2.469 178.712 176.117 0.210 0.000 1.093 135 I CA 1.265 62.678 61.300 0.187 0.000 1.380 135 I CB -0.253 37.831 38.000 0.140 0.000 1.067 135 I HN 0.112 nan 8.210 nan 0.000 0.413 136 Y N 1.504 121.859 120.300 0.091 0.000 2.200 136 Y HA -0.130 4.420 4.550 -0.000 0.000 0.290 136 Y C 2.406 178.379 175.900 0.122 0.000 1.137 136 Y CA 1.585 59.736 58.100 0.086 0.000 1.163 136 Y CB -0.669 37.822 38.460 0.051 0.000 0.988 136 Y HN 0.086 nan 8.280 nan 0.000 0.518 137 G N -0.261 108.719 108.800 0.299 0.000 2.446 137 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 137 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 137 G C 1.817 176.866 174.900 0.247 0.000 1.168 137 G CA 0.991 46.295 45.100 0.340 0.000 0.771 137 G HN 0.566 nan 8.290 nan 0.000 0.551 138 A N 0.716 123.721 122.820 0.308 0.000 1.933 138 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 138 A C 2.209 179.810 177.584 0.028 0.000 1.175 138 A CA 2.339 54.431 52.037 0.091 0.000 0.628 138 A CB -0.369 18.700 19.000 0.115 0.000 0.814 138 A HN 0.370 nan 8.150 nan 0.000 0.444 139 K N 1.202 121.620 120.400 0.030 0.000 2.097 139 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 139 K C 1.754 178.286 176.600 -0.113 0.000 1.049 139 K CA 1.978 58.242 56.287 -0.038 0.000 0.933 139 K CB -0.229 32.208 32.500 -0.106 0.000 0.717 139 K HN 0.593 nan 8.250 nan 0.000 0.442 140 K N -0.258 120.032 120.400 -0.184 0.000 2.458 140 K HA 0.066 4.385 4.320 -0.000 0.000 0.194 140 K C -0.046 176.505 176.600 -0.082 0.000 1.024 140 K CA 0.266 56.458 56.287 -0.159 0.000 1.108 140 K CB 0.112 32.485 32.500 -0.211 0.000 0.846 140 K HN 0.119 nan 8.250 nan 0.000 0.518 141 M N 3.255 122.811 119.600 -0.073 0.000 2.854 141 M HA 0.283 4.763 4.480 -0.000 0.000 0.203 141 M C -2.545 173.715 176.300 -0.066 0.000 1.069 141 M CA -1.919 53.337 55.300 -0.074 0.000 0.803 141 M CB 1.272 33.800 32.600 -0.120 0.000 1.380 141 M HN -0.118 nan 8.290 nan 0.000 0.494 142 P HA 0.177 nan 4.420 nan 0.000 0.271 142 P C -0.661 176.624 177.300 -0.024 0.000 1.218 142 P CA -0.097 62.992 63.100 -0.017 0.000 0.780 142 P CB 1.434 33.132 31.700 -0.003 0.000 0.901 143 V N 4.738 124.638 119.914 -0.023 0.000 2.483 143 V HA 0.371 4.491 4.120 -0.000 0.000 0.297 143 V C 0.318 176.399 176.094 -0.023 0.000 1.027 143 V CA -0.471 61.813 62.300 -0.026 0.000 0.855 143 V CB 1.482 33.279 31.823 -0.044 0.000 0.995 143 V HN 0.396 nan 8.190 nan 0.000 0.424 144 I N 5.847 126.412 120.570 -0.009 0.000 2.378 144 I HA 0.570 4.740 4.170 -0.000 0.000 0.291 144 I C -0.097 176.028 176.117 0.014 0.000 0.992 144 I CA -0.434 60.865 61.300 -0.001 0.000 1.154 144 I CB 1.488 39.498 38.000 0.018 0.000 1.315 144 I HN 0.439 nan 8.210 nan 0.000 0.448 145 K N 4.459 124.868 120.400 0.015 0.000 2.395 145 K HA 0.648 4.968 4.320 -0.000 0.000 0.245 145 K C -1.078 175.687 176.600 0.276 0.000 1.017 145 K CA -1.219 55.135 56.287 0.113 0.000 0.852 145 K CB 2.340 34.894 32.500 0.091 0.000 1.311 145 K HN 0.255 nan 8.250 nan 0.000 0.452 146 K N 0.157 120.753 120.400 0.325 0.000 2.565 146 K HA 0.586 4.906 4.320 -0.000 0.000 0.249 146 K C -0.929 175.616 176.600 -0.093 0.000 0.958 146 K CA -0.330 56.072 56.287 0.192 0.000 0.806 146 K CB 1.510 34.054 32.500 0.074 0.000 1.194 146 K HN 0.625 nan 8.250 nan 0.000 0.434 147 A N 3.130 125.593 122.820 -0.594 0.000 3.110 147 A HA 0.309 4.629 4.320 -0.000 0.000 0.206 147 A C 0.534 177.896 177.584 -0.371 0.000 2.150 147 A CA -0.015 51.586 52.037 -0.726 0.000 1.708 147 A CB -0.112 18.029 19.000 -1.433 0.000 1.207 147 A HN 0.736 nan 8.150 nan 0.000 0.367 148 N N 0.206 118.690 118.700 -0.360 0.000 2.373 148 N HA 0.067 4.807 4.740 -0.000 0.000 0.181 148 N C -0.081 175.361 175.510 -0.112 0.000 1.082 148 N CA 1.099 54.042 53.050 -0.178 0.000 0.885 148 N CB 0.222 38.626 38.487 -0.137 0.000 0.977 148 N HN 0.694 nan 8.380 nan 0.000 0.462 149 T N -1.946 112.524 114.554 -0.139 0.000 2.932 149 T HA 0.470 4.820 4.350 -0.000 0.000 0.289 149 T C -0.084 174.680 174.700 0.107 0.000 1.039 149 T CA -0.707 61.403 62.100 0.017 0.000 1.024 149 T CB 2.020 70.924 68.868 0.060 0.000 1.090 149 T HN -0.214 nan 8.240 nan 0.000 0.496 150 T N 2.321 116.950 114.554 0.125 0.000 2.771 150 T HA 0.539 4.889 4.350 -0.000 0.000 0.291 150 T C -0.221 174.552 174.700 0.122 0.000 0.954 150 T CA -0.504 61.686 62.100 0.150 0.000 1.045 150 T CB 0.290 69.213 68.868 0.092 0.000 0.917 150 T HN 0.651 nan 8.240 nan 0.000 0.484 151 I N 1.672 122.292 120.570 0.084 0.000 2.530 151 I HA 0.574 4.744 4.170 -0.000 0.000 0.297 151 I C 0.883 176.956 176.117 -0.073 0.000 1.011 151 I CA 0.250 61.499 61.300 -0.085 0.000 1.107 151 I CB 1.241 39.002 38.000 -0.398 0.000 1.285 151 I HN 0.832 nan 8.210 nan 0.000 0.436 152 G N 6.250 115.023 108.800 -0.045 0.000 2.176 152 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.232 152 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.232 152 G C 0.236 175.146 174.900 0.017 0.000 0.986 152 G CA -0.170 44.920 45.100 -0.016 0.000 0.643 152 G HN 0.542 nan 8.290 nan 0.000 0.522 153 I N 2.680 123.266 120.570 0.027 0.000 2.741 153 I HA 0.138 4.308 4.170 -0.000 0.000 0.288 153 I C -1.561 174.586 176.117 0.049 0.000 1.192 153 I CA -1.345 59.977 61.300 0.038 0.000 1.426 153 I CB 0.475 38.502 38.000 0.045 0.000 1.367 153 I HN -0.079 nan 8.210 nan 0.000 0.563 154 P HA -0.011 nan 4.420 nan 0.000 0.262 154 P C 0.791 178.123 177.300 0.054 0.000 1.182 154 P CA 0.765 63.892 63.100 0.046 0.000 0.761 154 P CB 0.525 32.242 31.700 0.028 0.000 0.795 155 G N 1.478 110.318 108.800 0.066 0.000 2.176 155 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.232 155 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.232 155 G C 0.239 175.197 174.900 0.096 0.000 0.986 155 G CA 0.239 45.381 45.100 0.070 0.000 0.643 155 G HN 0.839 nan 8.290 nan 0.000 0.522 156 T N -2.243 112.380 114.554 0.116 0.000 2.942 156 T HA 0.782 5.132 4.350 -0.000 0.000 0.289 156 T C -0.888 173.953 174.700 0.235 0.000 1.044 156 T CA -0.761 61.428 62.100 0.148 0.000 1.023 156 T CB 2.868 71.798 68.868 0.105 0.000 1.123 156 T HN 1.267 nan 8.240 nan 0.000 0.512 157 F N 0.693 120.671 119.950 0.047 0.000 2.722 157 F HA 0.575 5.102 4.527 -0.000 0.000 0.336 157 F C -0.653 175.175 175.800 0.047 0.000 1.216 157 F CA -0.300 57.726 58.000 0.044 0.000 1.065 157 F CB 1.814 40.839 39.000 0.042 0.000 1.325 157 F HN 0.813 nan 8.300 nan 0.000 0.524 158 S N 3.040 118.472 115.700 -0.447 0.000 2.747 158 S HA 0.979 5.449 4.470 -0.000 0.000 0.300 158 S C -0.990 173.391 174.600 -0.365 0.000 1.121 158 S CA -0.441 57.578 58.200 -0.302 0.000 0.995 158 S CB 1.803 64.851 63.200 -0.253 0.000 1.113 158 S HN 0.881 nan 8.310 nan 0.000 0.547 159 A N 1.314 124.010 122.820 -0.208 0.000 2.465 159 A HA 0.610 4.930 4.320 -0.000 0.000 0.292 159 A C -0.682 176.849 177.584 -0.089 0.000 1.041 159 A CA -0.760 51.226 52.037 -0.084 0.000 0.718 159 A CB 0.930 19.942 19.000 0.020 0.000 1.266 159 A HN 0.770 nan 8.150 nan 0.000 0.403 160 R N 2.957 123.470 120.500 0.021 0.000 2.370 160 R HA 0.407 4.747 4.340 -0.000 0.000 0.309 160 R C -0.990 175.339 176.300 0.049 0.000 1.059 160 R CA -0.281 55.813 56.100 -0.010 0.000 0.981 160 R CB 0.233 30.575 30.300 0.070 0.000 0.972 160 R HN 0.722 nan 8.270 nan 0.000 0.437 161 L N 4.550 125.783 121.223 0.018 0.000 2.418 161 L HA 0.083 4.423 4.340 -0.000 0.000 0.274 161 L C -0.081 176.839 176.870 0.084 0.000 1.135 161 L CA 0.365 55.270 54.840 0.109 0.000 0.870 161 L CB 0.695 42.767 42.059 0.021 0.000 1.154 161 L HN 0.729 nan 8.230 nan 0.000 0.462 162 Q N 7.260 127.137 119.800 0.128 0.000 2.571 162 Q HA 0.353 4.693 4.340 -0.000 0.000 0.243 162 Q C -2.360 173.685 176.000 0.074 0.000 1.055 162 Q CA -1.699 54.146 55.803 0.070 0.000 0.815 162 Q CB 1.171 29.941 28.738 0.054 0.000 1.151 162 Q HN 0.311 nan 8.270 nan 0.000 0.519 163 P HA 0.223 nan 4.420 nan 0.000 0.208 163 P C -1.110 176.213 177.300 0.039 0.000 1.863 163 P CA -0.412 62.728 63.100 0.068 0.000 1.037 163 P CB 0.145 31.867 31.700 0.037 0.000 1.881 164 N N 1.549 120.272 118.700 0.038 0.000 2.524 164 N HA 0.341 5.081 4.740 -0.000 0.000 0.283 164 N C -0.472 175.057 175.510 0.033 0.000 1.142 164 N CA 0.224 53.294 53.050 0.033 0.000 0.984 164 N CB 0.902 39.417 38.487 0.046 0.000 1.155 164 N HN 0.234 nan 8.380 nan 0.000 0.467 165 D N -1.791 118.626 120.400 0.029 0.000 2.661 165 D HA 0.346 4.986 4.640 -0.000 0.000 0.228 165 D C 0.236 176.551 176.300 0.025 0.000 1.183 165 D CA -0.523 53.494 54.000 0.028 0.000 0.844 165 D CB 1.230 42.048 40.800 0.029 0.000 1.555 165 D HN 0.308 nan 8.370 nan 0.000 0.453 166 T N 0.921 115.489 114.554 0.023 0.000 2.995 166 T HA 0.007 4.357 4.350 -0.000 0.000 0.269 166 T C 1.319 176.029 174.700 0.017 0.000 1.091 166 T CA 0.917 63.029 62.100 0.019 0.000 1.128 166 T CB -0.009 68.868 68.868 0.016 0.000 0.891 166 T HN 0.337 nan 8.240 nan 0.000 0.492 167 R N 0.414 120.925 120.500 0.018 0.000 2.509 167 R HA 0.179 4.519 4.340 -0.000 0.000 0.297 167 R C -0.433 175.878 176.300 0.017 0.000 0.951 167 R CA -0.152 55.958 56.100 0.017 0.000 1.103 167 R CB 0.487 30.797 30.300 0.017 0.000 1.283 167 R HN 0.033 nan 8.270 nan 0.000 0.534 168 D N 1.733 122.144 120.400 0.019 0.000 2.751 168 D HA -0.210 4.430 4.640 -0.000 0.000 0.233 168 D C -0.650 175.663 176.300 0.022 0.000 1.149 168 D CA 1.193 55.205 54.000 0.019 0.000 0.682 168 D CB -0.833 39.976 40.800 0.016 0.000 1.068 168 D HN 0.408 nan 8.370 nan 0.000 0.429 169 D N 0.491 120.906 120.400 0.025 0.000 2.417 169 D HA 0.089 4.729 4.640 -0.000 0.000 0.250 169 D C 1.749 178.069 176.300 0.034 0.000 1.166 169 D CA 0.032 54.050 54.000 0.030 0.000 0.881 169 D CB 1.467 42.286 40.800 0.032 0.000 1.164 169 D HN 0.064 nan 8.370 nan 0.000 0.467 170 V N 1.973 121.909 119.914 0.037 0.000 2.871 170 V HA -0.153 3.967 4.120 -0.000 0.000 0.256 170 V C 1.933 178.061 176.094 0.057 0.000 1.082 170 V CA 0.774 63.098 62.300 0.040 0.000 1.105 170 V CB -0.342 31.506 31.823 0.040 0.000 0.713 170 V HN 0.511 nan 8.190 nan 0.000 0.473 171 Q N 1.146 120.986 119.800 0.068 0.000 2.187 171 Q HA -0.073 4.267 4.340 -0.000 0.000 0.199 171 Q C 2.506 178.560 176.000 0.090 0.000 0.957 171 Q CA 1.743 57.602 55.803 0.093 0.000 0.857 171 Q CB -0.280 28.509 28.738 0.084 0.000 0.929 171 Q HN 0.718 nan 8.270 nan 0.000 0.453 172 S N 0.664 116.403 115.700 0.066 0.000 2.395 172 S HA -0.020 4.450 4.470 -0.000 0.000 0.225 172 S C 2.018 176.653 174.600 0.058 0.000 1.027 172 S CA 0.165 58.403 58.200 0.064 0.000 0.965 172 S CB -0.048 63.182 63.200 0.050 0.000 0.812 172 S HN 0.260 nan 8.310 nan 0.000 0.482 173 I N 1.874 122.467 120.570 0.038 0.000 2.179 173 I HA -0.146 4.024 4.170 -0.000 0.000 0.242 173 I C 2.904 179.009 176.117 -0.020 0.000 1.088 173 I CA 1.211 62.520 61.300 0.014 0.000 1.357 173 I CB -0.555 37.446 38.000 0.002 0.000 1.051 173 I HN 0.406 nan 8.210 nan 0.000 0.409 174 A N 0.732 123.544 122.820 -0.015 0.000 1.902 174 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 174 A C 2.556 180.121 177.584 -0.031 0.000 1.181 174 A CA 1.892 53.872 52.037 -0.096 0.000 0.623 174 A CB -0.923 18.112 19.000 0.059 0.000 0.818 174 A HN 0.433 nan 8.150 nan 0.000 0.443 175 A N -0.775 122.135 122.820 0.149 0.000 1.908 175 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 175 A C 2.128 179.815 177.584 0.172 0.000 1.181 175 A CA 1.810 53.984 52.037 0.228 0.000 0.627 175 A CB -0.584 18.516 19.000 0.167 0.000 0.818 175 A HN 0.667 nan 8.150 nan 0.000 0.445 176 Q N -0.806 119.064 119.800 0.116 0.000 2.172 176 Q HA -0.006 4.334 4.340 -0.000 0.000 0.200 176 Q C 1.996 178.036 176.000 0.067 0.000 0.964 176 Q CA 1.094 56.996 55.803 0.166 0.000 0.855 176 Q CB -0.226 28.616 28.738 0.173 0.000 0.918 176 Q HN 0.754 nan 8.270 nan 0.000 0.444 177 I N -0.346 120.172 120.570 -0.087 0.000 2.142 177 I HA -0.297 3.873 4.170 -0.000 0.000 0.240 177 I C 1.730 177.655 176.117 -0.321 0.000 1.078 177 I CA 1.256 62.405 61.300 -0.251 0.000 1.343 177 I CB -0.266 37.490 38.000 -0.406 0.000 1.046 177 I HN 0.194 nan 8.210 nan 0.000 0.405 178 Y N 0.782 120.970 120.300 -0.188 0.000 2.224 178 Y HA -0.273 4.277 4.550 -0.000 0.000 0.289 178 Y C 2.575 178.418 175.900 -0.095 0.000 1.146 178 Y CA 1.589 59.501 58.100 -0.314 0.000 1.182 178 Y CB -0.740 37.682 38.460 -0.062 0.000 0.983 178 Y HN 0.227 nan 8.280 nan 0.000 0.524 179 E N -0.248 120.023 120.200 0.118 0.000 2.077 179 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 179 E C 2.562 179.010 176.600 -0.253 0.000 0.989 179 E CA 1.501 57.956 56.400 0.092 0.000 0.800 179 E CB -0.650 29.183 29.700 0.221 0.000 0.746 179 E HN 0.381 nan 8.360 nan 0.000 0.452 180 G N 0.550 108.886 108.800 -0.772 0.000 2.402 180 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 180 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 180 G C 1.541 176.242 174.900 -0.331 0.000 1.162 180 G CA 0.825 45.130 45.100 -1.326 0.000 0.777 180 G HN 0.269 nan 8.290 nan 0.000 0.539 181 L N 1.644 122.819 121.223 -0.079 0.000 2.131 181 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 181 L C 3.154 180.239 176.870 0.358 0.000 1.092 181 L CA 1.361 56.355 54.840 0.256 0.000 0.759 181 L CB -0.322 41.878 42.059 0.235 0.000 0.903 181 L HN 0.424 nan 8.230 nan 0.000 0.435 182 S N -0.827 115.045 115.700 0.285 0.000 2.481 182 S HA -0.072 4.398 4.470 -0.000 0.000 0.231 182 S C 1.491 176.011 174.600 -0.132 0.000 0.996 182 S CA 0.645 58.914 58.200 0.114 0.000 0.942 182 S CB -0.421 62.834 63.200 0.091 0.000 0.768 182 S HN 0.362 nan 8.310 nan 0.000 0.520 183 F N 1.585 121.531 119.950 -0.007 0.000 2.695 183 F HA 0.424 4.951 4.527 -0.000 0.000 0.303 183 F C 1.806 177.667 175.800 0.102 0.000 1.091 183 F CA 0.139 58.146 58.000 0.011 0.000 1.300 183 F CB 0.344 39.330 39.000 -0.023 0.000 1.071 183 F HN 0.379 nan 8.300 nan 0.000 0.578 184 G N 1.018 110.007 108.800 0.315 0.000 2.149 184 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.235 184 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.235 184 G C -0.223 174.935 174.900 0.430 0.000 1.018 184 G CA 0.005 45.372 45.100 0.446 0.000 0.728 184 G HN 0.114 nan 8.290 nan 0.000 0.508 185 V N -0.266 119.816 119.914 0.280 0.000 2.481 185 V HA 0.771 4.891 4.120 -0.000 0.000 0.286 185 V C 1.296 177.371 176.094 -0.031 0.000 1.042 185 V CA 1.120 63.489 62.300 0.116 0.000 0.928 185 V CB 1.330 33.261 31.823 0.179 0.000 0.986 185 V HN 1.684 nan 8.190 nan 0.000 0.462 186 G N 3.277 111.888 108.800 -0.316 0.000 2.507 186 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.205 186 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.205 186 G C 0.336 174.775 174.900 -0.769 0.000 0.996 186 G CA 0.164 45.020 45.100 -0.405 0.000 0.776 186 G HN 0.733 nan 8.290 nan 0.000 0.532 187 D N 1.054 120.797 120.400 -1.094 0.000 2.234 187 D HA 0.263 4.903 4.640 -0.000 0.000 0.205 187 D C 2.211 178.274 176.300 -0.395 0.000 0.962 187 D CA 1.288 54.727 54.000 -0.936 0.000 0.855 187 D CB -0.575 39.745 40.800 -0.799 0.000 0.951 187 D HN 0.581 nan 8.370 nan 0.000 0.500 188 A N 0.305 122.901 122.820 -0.372 0.000 1.841 188 A HA 0.264 4.584 4.320 -0.000 0.000 0.214 188 A C 1.186 178.617 177.584 -0.255 0.000 1.195 188 A CA 1.358 53.173 52.037 -0.370 0.000 0.611 188 A CB -0.042 18.581 19.000 -0.629 0.000 0.835 188 A HN 0.242 nan 8.150 nan 0.000 0.443 189 V N -1.464 118.279 119.914 -0.286 0.000 3.155 189 V HA 0.335 4.455 4.120 -0.000 0.000 0.272 189 V C -2.073 173.907 176.094 -0.191 0.000 1.639 189 V CA -0.833 61.330 62.300 -0.229 0.000 1.006 189 V CB 1.922 33.599 31.823 -0.243 0.000 1.244 189 V HN 0.310 nan 8.190 nan 0.000 0.458 190 I N 4.534 124.997 120.570 -0.179 0.000 2.306 190 I HA 0.650 4.820 4.170 -0.000 0.000 0.288 190 I C 0.627 176.690 176.117 -0.091 0.000 1.036 190 I CA 0.046 61.261 61.300 -0.141 0.000 1.221 190 I CB 1.310 39.192 38.000 -0.196 0.000 1.385 190 I HN 0.742 nan 8.210 nan 0.000 0.472 191 G N 6.005 114.779 108.800 -0.043 0.000 2.730 191 G HA2 0.559 4.519 3.960 -0.000 0.000 0.291 191 G HA3 0.559 4.519 3.960 -0.000 0.000 0.291 191 G C -0.934 173.952 174.900 -0.024 0.000 1.456 191 G CA -0.307 44.786 45.100 -0.012 0.000 0.996 191 G HN 0.284 nan 8.290 nan 0.000 0.528 192 V N 2.491 122.384 119.914 -0.034 0.000 2.394 192 V HA 0.227 4.347 4.120 -0.000 0.000 0.282 192 V C -0.154 175.899 176.094 -0.068 0.000 1.031 192 V CA -1.188 61.092 62.300 -0.034 0.000 0.881 192 V CB 1.273 33.087 31.823 -0.015 0.000 0.982 192 V HN 0.706 nan 8.190 nan 0.000 0.451 193 N N 6.949 125.605 118.700 -0.075 0.000 2.405 193 N HA 0.294 5.033 4.740 -0.000 0.000 0.260 193 N C -2.548 172.948 175.510 -0.023 0.000 1.152 193 N CA -0.843 52.162 53.050 -0.075 0.000 0.948 193 N CB 0.600 39.045 38.487 -0.070 0.000 1.111 193 N HN 0.465 nan 8.380 nan 0.000 0.485 194 P HA 0.097 nan 4.420 nan 0.000 0.281 194 P C 0.475 177.781 177.300 0.009 0.000 1.249 194 P CA -0.519 62.582 63.100 0.002 0.000 0.810 194 P CB 1.404 33.108 31.700 0.006 0.000 1.008 195 V N 0.689 120.611 119.914 0.012 0.000 2.323 195 V HA -0.061 4.059 4.120 -0.000 0.000 0.244 195 V C 1.438 177.540 176.094 0.012 0.000 1.041 195 V CA 2.323 64.631 62.300 0.013 0.000 1.025 195 V CB -1.258 30.573 31.823 0.013 0.000 0.656 195 V HN 0.750 nan 8.190 nan 0.000 0.451 196 T N -1.781 112.780 114.554 0.011 0.000 2.918 196 T HA 0.578 4.928 4.350 -0.000 0.000 0.286 196 T C -0.984 173.723 174.700 0.012 0.000 1.026 196 T CA -0.558 61.548 62.100 0.010 0.000 1.031 196 T CB 2.368 71.240 68.868 0.008 0.000 1.046 196 T HN 0.205 nan 8.240 nan 0.000 0.479 197 D N 0.637 121.044 120.400 0.011 0.000 2.412 197 D HA 0.457 5.097 4.640 -0.000 0.000 0.276 197 D C -1.523 174.783 176.300 0.011 0.000 1.196 197 D CA -0.131 53.879 54.000 0.017 0.000 0.905 197 D CB 0.194 41.005 40.800 0.019 0.000 1.081 197 D HN 0.778 nan 8.370 nan 0.000 0.502 198 D N 1.684 122.089 120.400 0.010 0.000 2.334 198 D HA -0.011 4.629 4.640 -0.000 0.000 0.182 198 D C 0.130 176.430 176.300 -0.001 0.000 1.157 198 D CA -0.622 53.379 54.000 0.002 0.000 0.807 198 D CB 0.890 41.691 40.800 0.002 0.000 2.649 198 D HN 0.016 nan 8.370 nan 0.000 0.494 199 V N 3.464 123.374 119.914 -0.007 0.000 2.427 199 V HA -0.101 4.019 4.120 -0.000 0.000 0.248 199 V C 2.211 178.297 176.094 -0.014 0.000 1.051 199 V CA 2.025 64.316 62.300 -0.015 0.000 1.048 199 V CB -0.410 31.399 31.823 -0.023 0.000 0.666 199 V HN 0.735 nan 8.190 nan 0.000 0.456 200 E N 0.593 120.787 120.200 -0.010 0.000 2.058 200 E HA -0.302 4.048 4.350 -0.000 0.000 0.194 200 E C 2.064 178.663 176.600 -0.002 0.000 0.997 200 E CA 1.860 58.256 56.400 -0.006 0.000 0.801 200 E CB -0.108 29.590 29.700 -0.004 0.000 0.746 200 E HN 0.653 nan 8.360 nan 0.000 0.450 201 N N -0.007 118.694 118.700 0.001 0.000 2.171 201 N HA -0.092 4.648 4.740 -0.000 0.000 0.184 201 N C 1.963 177.477 175.510 0.007 0.000 1.021 201 N CA 0.787 53.840 53.050 0.006 0.000 0.854 201 N CB -0.085 38.406 38.487 0.007 0.000 0.994 201 N HN 0.133 nan 8.380 nan 0.000 0.426 202 L N -0.224 121.002 121.223 0.004 0.000 2.012 202 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 202 L C 2.127 178.999 176.870 0.004 0.000 1.073 202 L CA 1.215 56.059 54.840 0.006 0.000 0.748 202 L CB -0.639 41.421 42.059 0.002 0.000 0.891 202 L HN 0.238 nan 8.230 nan 0.000 0.431 203 S N -0.708 114.989 115.700 -0.006 0.000 2.383 203 S HA -0.185 4.285 4.470 -0.000 0.000 0.227 203 S C 2.012 176.615 174.600 0.004 0.000 1.026 203 S CA 1.124 59.318 58.200 -0.011 0.000 0.981 203 S CB -0.236 62.951 63.200 -0.022 0.000 0.818 203 S HN 0.340 nan 8.310 nan 0.000 0.472 204 R N 0.964 121.468 120.500 0.008 0.000 2.075 204 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 204 R C 2.068 178.382 176.300 0.024 0.000 1.126 204 R CA 1.182 57.291 56.100 0.015 0.000 0.963 204 R CB -0.406 29.903 30.300 0.014 0.000 0.858 204 R HN 0.233 nan 8.270 nan 0.000 0.435 205 V N 1.384 121.311 119.914 0.022 0.000 2.295 205 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 205 V C 2.353 178.473 176.094 0.042 0.000 1.049 205 V CA 1.739 64.053 62.300 0.024 0.000 1.024 205 V CB -0.384 31.450 31.823 0.018 0.000 0.648 205 V HN 0.350 nan 8.190 nan 0.000 0.447 206 L N -0.342 120.916 121.223 0.058 0.000 2.083 206 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 206 L C 2.357 179.322 176.870 0.159 0.000 1.083 206 L CA 1.543 56.458 54.840 0.124 0.000 0.752 206 L CB -0.692 41.415 42.059 0.080 0.000 0.899 206 L HN 0.334 nan 8.230 nan 0.000 0.433 207 D N -0.670 119.778 120.400 0.079 0.000 2.144 207 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 207 D C 2.174 178.519 176.300 0.076 0.000 0.984 207 D CA 1.570 55.613 54.000 0.072 0.000 0.834 207 D CB -0.123 40.697 40.800 0.034 0.000 0.955 207 D HN 0.260 nan 8.370 nan 0.000 0.465 208 T N 0.821 115.406 114.554 0.051 0.000 2.737 208 T HA -0.070 4.280 4.350 -0.000 0.000 0.265 208 T C 2.251 176.945 174.700 -0.011 0.000 1.038 208 T CA 0.613 62.727 62.100 0.023 0.000 1.144 208 T CB -0.230 68.645 68.868 0.011 0.000 0.866 208 T HN 0.143 nan 8.240 nan 0.000 0.434 209 I N -0.313 120.250 120.570 -0.013 0.000 2.163 209 I HA -0.217 3.953 4.170 -0.000 0.000 0.243 209 I C 2.108 178.131 176.117 -0.157 0.000 1.085 209 I CA 1.710 62.944 61.300 -0.110 0.000 1.347 209 I CB -0.356 37.574 38.000 -0.116 0.000 1.044 209 I HN 0.230 nan 8.210 nan 0.000 0.408 210 Y N 0.633 120.901 120.300 -0.053 0.000 2.519 210 Y HA 0.026 4.576 4.550 -0.000 0.000 0.287 210 Y C 2.475 178.355 175.900 -0.035 0.000 1.128 210 Y CA 0.819 58.891 58.100 -0.047 0.000 1.282 210 Y CB -0.618 37.818 38.460 -0.040 0.000 1.027 210 Y HN 0.099 nan 8.280 nan 0.000 0.551 211 G N -0.193 108.665 108.800 0.098 0.000 2.476 211 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 211 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 211 G C 1.708 176.629 174.900 0.034 0.000 1.164 211 G CA 1.676 46.806 45.100 0.051 0.000 0.768 211 G HN 0.268 nan 8.290 nan 0.000 0.560 212 V N 1.082 120.998 119.914 0.004 0.000 2.379 212 V HA -0.084 4.036 4.120 -0.000 0.000 0.245 212 V C 2.781 178.929 176.094 0.089 0.000 1.044 212 V CA 1.356 63.691 62.300 0.058 0.000 1.036 212 V CB -0.399 31.319 31.823 -0.174 0.000 0.664 212 V HN 0.388 nan 8.190 nan 0.000 0.453 213 I N 0.419 120.945 120.570 -0.072 0.000 2.163 213 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 213 I C 2.219 178.330 176.117 -0.011 0.000 1.085 213 I CA 1.722 62.949 61.300 -0.123 0.000 1.347 213 I CB -0.466 37.350 38.000 -0.307 0.000 1.044 213 I HN 0.325 nan 8.210 nan 0.000 0.408 214 D N 0.511 120.929 120.400 0.029 0.000 2.194 214 D HA -0.145 4.495 4.640 -0.000 0.000 0.204 214 D C 2.052 178.343 176.300 -0.015 0.000 0.964 214 D CA 0.895 54.914 54.000 0.031 0.000 0.846 214 D CB -0.109 40.720 40.800 0.049 0.000 0.962 214 D HN 0.268 nan 8.370 nan 0.000 0.490 215 K N -0.234 120.126 120.400 -0.067 0.000 2.057 215 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 215 K C 0.951 177.330 176.600 -0.368 0.000 1.049 215 K CA 1.028 57.142 56.287 -0.290 0.000 0.931 215 K CB -0.019 32.194 32.500 -0.479 0.000 0.714 215 K HN 0.039 nan 8.250 nan 0.000 0.440 216 F N 0.990 121.024 119.950 0.141 0.000 2.653 216 F HA 0.265 4.792 4.527 -0.000 0.000 0.304 216 F C -0.109 175.869 175.800 0.297 0.000 1.092 216 F CA -0.473 57.699 58.000 0.288 0.000 1.279 216 F CB 0.297 39.607 39.000 0.516 0.000 1.044 216 F HN 0.015 nan 8.300 nan 0.000 0.564 217 N N 1.596 120.423 118.700 0.211 0.000 2.727 217 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 217 N C -0.396 175.096 175.510 -0.030 0.000 1.048 217 N CA 0.553 53.668 53.050 0.109 0.000 0.714 217 N CB -1.548 37.027 38.487 0.147 0.000 0.959 217 N HN 0.334 nan 8.380 nan 0.000 0.544 218 I N 1.404 121.817 120.570 -0.261 0.000 2.452 218 I HA 0.114 4.284 4.170 -0.000 0.000 0.287 218 I C -1.492 174.394 176.117 -0.383 0.000 1.079 218 I CA -1.503 59.337 61.300 -0.767 0.000 1.387 218 I CB 0.425 37.871 38.000 -0.924 0.000 1.404 218 I HN -0.167 nan 8.210 nan 0.000 0.522 219 P HA 0.069 nan 4.420 nan 0.000 0.264 219 P C -0.220 177.062 177.300 -0.030 0.000 1.537 219 P CA 0.396 63.444 63.100 -0.087 0.000 1.189 219 P CB 0.513 32.221 31.700 0.014 0.000 1.687 220 T N 1.373 115.858 114.554 -0.114 0.000 2.649 220 T HA 0.401 4.751 4.350 -0.000 0.000 0.305 220 T C -1.989 172.594 174.700 -0.194 0.000 1.409 220 T CA -0.435 61.577 62.100 -0.147 0.000 1.021 220 T CB 1.386 70.156 68.868 -0.164 0.000 1.726 220 T HN 0.345 nan 8.240 nan 0.000 0.475 221 Q N 0.615 120.279 119.800 -0.227 0.000 2.379 221 Q HA 0.630 4.970 4.340 -0.000 0.000 0.278 221 Q C -0.342 175.518 176.000 -0.232 0.000 1.068 221 Q CA -1.061 54.630 55.803 -0.188 0.000 0.816 221 Q CB 1.587 30.226 28.738 -0.165 0.000 1.387 221 Q HN 0.900 nan 8.270 nan 0.000 0.413 222 G N -0.254 108.417 108.800 -0.214 0.000 2.462 222 G HA2 0.600 4.560 3.960 -0.000 0.000 0.319 222 G HA3 0.600 4.560 3.960 -0.000 0.000 0.319 222 G C -1.097 173.844 174.900 0.068 0.000 1.171 222 G CA -0.499 44.515 45.100 -0.143 0.000 0.920 222 G HN 0.751 nan 8.290 nan 0.000 0.499 223 C N 0.205 119.535 119.300 0.049 0.000 2.985 223 C HA 0.673 5.133 4.460 -0.000 0.000 0.332 223 C C -1.089 173.929 174.990 0.048 0.000 1.164 223 C CA -0.500 58.569 59.018 0.084 0.000 1.347 223 C CB 1.012 28.829 27.740 0.129 0.000 1.764 223 C HN 0.738 nan 8.230 nan 0.000 0.489 224 V N 6.419 126.362 119.914 0.048 0.000 2.487 224 V HA 0.571 4.691 4.120 -0.000 0.000 0.298 224 V C -0.461 175.634 176.094 0.000 0.000 1.028 224 V CA -0.374 61.933 62.300 0.012 0.000 0.860 224 V CB 1.720 33.557 31.823 0.023 0.000 0.991 224 V HN 0.828 nan 8.190 nan 0.000 0.427 225 L N 7.009 128.179 121.223 -0.088 0.000 2.928 225 L HA 0.533 4.873 4.340 -0.000 0.000 0.236 225 L C 1.119 177.994 176.870 0.009 0.000 1.290 225 L CA 0.596 55.319 54.840 -0.197 0.000 1.099 225 L CB 0.010 41.650 42.059 -0.698 0.000 1.437 225 L HN 0.756 nan 8.230 nan 0.000 0.493 226 A N -1.561 121.298 122.820 0.065 0.000 2.325 226 A HA 0.083 4.403 4.320 -0.000 0.000 0.260 226 A C 0.435 178.113 177.584 0.158 0.000 1.133 226 A CA -0.244 51.853 52.037 0.100 0.000 0.801 226 A CB -0.030 19.015 19.000 0.075 0.000 1.092 226 A HN 0.368 nan 8.150 nan 0.000 0.504 227 H N -0.396 118.703 119.070 0.049 0.000 2.972 227 H HA -0.023 4.533 4.556 -0.000 0.000 0.343 227 H C 1.475 176.814 175.328 0.019 0.000 1.054 227 H CA 1.088 57.150 56.048 0.023 0.000 1.412 227 H CB 1.071 30.834 29.762 0.002 0.000 1.385 227 H HN 0.385 nan 8.280 nan 0.000 0.600 228 V N 4.170 123.891 119.914 -0.322 0.000 2.568 228 V HA -0.263 3.857 4.120 -0.000 0.000 0.253 228 V C 2.311 178.410 176.094 0.008 0.000 1.072 228 V CA 2.656 64.868 62.300 -0.147 0.000 1.084 228 V CB -0.609 31.075 31.823 -0.232 0.000 0.676 228 V HN 1.003 nan 8.190 nan 0.000 0.469 229 T N -2.022 112.629 114.554 0.161 0.000 2.821 229 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 229 T C 1.868 176.614 174.700 0.077 0.000 1.046 229 T CA 1.977 64.160 62.100 0.138 0.000 1.139 229 T CB -1.011 67.970 68.868 0.188 0.000 0.871 229 T HN 0.683 nan 8.240 nan 0.000 0.454 230 T N -0.103 114.508 114.554 0.095 0.000 2.942 230 T HA 0.015 4.365 4.350 -0.000 0.000 0.265 230 T C 2.100 176.811 174.700 0.018 0.000 1.062 230 T CA 0.642 62.769 62.100 0.045 0.000 1.139 230 T CB -0.460 68.439 68.868 0.053 0.000 0.883 230 T HN 0.444 nan 8.240 nan 0.000 0.468 231 Q N 0.736 120.551 119.800 0.027 0.000 2.030 231 Q HA -0.001 4.339 4.340 -0.000 0.000 0.204 231 Q C 2.366 178.346 176.000 -0.033 0.000 0.986 231 Q CA 1.766 57.571 55.803 0.004 0.000 0.843 231 Q CB -0.464 28.286 28.738 0.020 0.000 0.904 231 Q HN 0.531 nan 8.270 nan 0.000 0.420 232 I N 0.727 121.280 120.570 -0.029 0.000 2.163 232 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 232 I C 2.421 178.478 176.117 -0.100 0.000 1.085 232 I CA 1.245 62.510 61.300 -0.058 0.000 1.347 232 I CB -0.262 37.724 38.000 -0.023 0.000 1.044 232 I HN 0.293 nan 8.210 nan 0.000 0.408 233 E N 0.658 120.821 120.200 -0.062 0.000 2.049 233 E HA -0.306 4.044 4.350 -0.000 0.000 0.198 233 E C 2.272 178.808 176.600 -0.106 0.000 1.007 233 E CA 1.638 57.995 56.400 -0.072 0.000 0.809 233 E CB -0.110 29.569 29.700 -0.036 0.000 0.749 233 E HN 0.541 nan 8.360 nan 0.000 0.450 234 A N 0.670 123.436 122.820 -0.089 0.000 1.898 234 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 234 A C 2.126 179.617 177.584 -0.154 0.000 1.181 234 A CA 1.126 53.106 52.037 -0.095 0.000 0.620 234 A CB -0.524 18.441 19.000 -0.058 0.000 0.819 234 A HN 0.240 nan 8.150 nan 0.000 0.442 235 I N -0.936 119.519 120.570 -0.193 0.000 2.226 235 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 235 I C 2.709 178.476 176.117 -0.583 0.000 1.100 235 I CA 1.157 62.281 61.300 -0.294 0.000 1.374 235 I CB -0.337 37.520 38.000 -0.238 0.000 1.057 235 I HN 0.271 nan 8.210 nan 0.000 0.413 236 R N 0.509 120.639 120.500 -0.617 0.000 2.127 236 R HA -0.112 4.228 4.340 -0.000 0.000 0.238 236 R C 2.005 178.062 176.300 -0.405 0.000 1.134 236 R CA 1.128 56.784 56.100 -0.740 0.000 0.975 236 R CB -0.177 29.898 30.300 -0.376 0.000 0.865 236 R HN 0.372 nan 8.270 nan 0.000 0.447 237 R N -1.004 119.345 120.500 -0.250 0.000 2.334 237 R HA 0.087 4.426 4.340 -0.000 0.000 0.216 237 R C 0.706 176.941 176.300 -0.109 0.000 0.905 237 R CA 0.654 56.673 56.100 -0.134 0.000 1.064 237 R CB 1.131 31.375 30.300 -0.092 0.000 1.046 237 R HN 0.415 nan 8.270 nan 0.000 0.508 238 G N 0.156 108.867 108.800 -0.148 0.000 2.198 238 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.156 238 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.156 238 G C 0.111 174.954 174.900 -0.095 0.000 1.012 238 G CA -0.193 44.851 45.100 -0.092 0.000 0.692 238 G HN 0.401 nan 8.290 nan 0.000 0.492 239 A N 0.670 123.421 122.820 -0.116 0.000 2.445 239 A HA 0.663 4.983 4.320 -0.000 0.000 0.242 239 A C -1.758 175.731 177.584 -0.158 0.000 1.075 239 A CA -0.707 51.262 52.037 -0.114 0.000 0.777 239 A CB 0.010 18.956 19.000 -0.090 0.000 1.013 239 A HN 0.123 nan 8.150 nan 0.000 0.493 240 P HA 0.228 nan 4.420 nan 0.000 0.267 240 P C 0.136 177.239 177.300 -0.329 0.000 1.209 240 P CA 0.531 63.376 63.100 -0.425 0.000 0.763 240 P CB 0.697 31.858 31.700 -0.898 0.000 0.816 241 G N 2.522 111.191 108.800 -0.220 0.000 2.329 241 G HA2 0.494 4.454 3.960 -0.000 0.000 0.309 241 G HA3 0.494 4.454 3.960 -0.000 0.000 0.309 241 G C 0.562 175.443 174.900 -0.031 0.000 1.110 241 G CA -0.357 44.694 45.100 -0.082 0.000 0.923 241 G HN 0.539 nan 8.290 nan 0.000 0.430 242 G N 1.627 110.467 108.800 0.066 0.000 2.727 242 G HA2 0.384 4.344 3.960 -0.000 0.000 0.212 242 G HA3 0.384 4.344 3.960 -0.000 0.000 0.212 242 G C 0.234 175.156 174.900 0.036 0.000 2.076 242 G CA -0.595 44.575 45.100 0.117 0.000 0.744 242 G HN 0.572 nan 8.290 nan 0.000 0.775 243 L N 1.311 122.562 121.223 0.046 0.000 2.350 243 L HA 0.476 4.816 4.340 -0.000 0.000 0.275 243 L C -0.518 176.409 176.870 0.096 0.000 1.099 243 L CA -0.335 54.541 54.840 0.060 0.000 0.808 243 L CB 1.624 43.741 42.059 0.097 0.000 1.149 243 L HN 0.212 nan 8.230 nan 0.000 0.442 244 I N 2.519 123.128 120.570 0.065 0.000 2.354 244 I HA 0.279 4.449 4.170 -0.000 0.000 0.292 244 I C -0.532 175.609 176.117 0.040 0.000 0.989 244 I CA -0.327 61.003 61.300 0.049 0.000 1.188 244 I CB 1.505 39.503 38.000 -0.004 0.000 1.342 244 I HN 0.389 nan 8.210 nan 0.000 0.457 245 F N 6.318 126.209 119.950 -0.097 0.000 2.450 245 F HA 0.602 5.129 4.527 -0.000 0.000 0.332 245 F C -0.327 175.371 175.800 -0.169 0.000 1.093 245 F CA -0.278 57.606 58.000 -0.194 0.000 1.003 245 F CB 1.380 40.233 39.000 -0.245 0.000 1.151 245 F HN 0.371 nan 8.300 nan 0.000 0.474 246 Q N 3.029 122.134 119.800 -1.159 0.000 2.309 246 Q HA 0.351 4.691 4.340 -0.000 0.000 0.273 246 Q C -1.347 173.924 176.000 -1.215 0.000 1.040 246 Q CA -0.694 54.472 55.803 -1.061 0.000 0.834 246 Q CB 2.332 30.858 28.738 -0.353 0.000 1.345 246 Q HN 0.682 nan 8.270 nan 0.000 0.414 247 S N 3.687 118.802 115.700 -0.976 0.000 2.533 247 S HA 0.519 4.989 4.470 -0.000 0.000 0.282 247 S C 0.302 174.874 174.600 -0.046 0.000 1.304 247 S CA -0.295 57.684 58.200 -0.369 0.000 1.063 247 S CB -0.382 62.609 63.200 -0.348 0.000 0.881 247 S HN 0.515 nan 8.310 nan 0.000 0.493 248 I N -0.447 120.169 120.570 0.077 0.000 2.846 248 I HA 0.830 5.000 4.170 -0.000 0.000 0.307 248 I C -0.478 175.698 176.117 0.097 0.000 1.053 248 I CA -0.904 60.430 61.300 0.057 0.000 1.050 248 I CB 1.750 39.606 38.000 -0.240 0.000 1.239 248 I HN 0.539 nan 8.210 nan 0.000 0.439 249 C N 2.101 121.322 119.300 -0.132 0.000 2.889 249 C HA 0.753 5.213 4.460 -0.000 0.000 0.307 249 C C 1.210 176.070 174.990 -0.218 0.000 1.251 249 C CA -0.137 58.718 59.018 -0.272 0.000 1.593 249 C CB 1.631 28.976 27.740 -0.658 0.000 2.104 249 C HN 1.062 nan 8.230 nan 0.000 0.476 250 G N 1.808 110.493 108.800 -0.192 0.000 3.314 250 G HA2 0.377 4.336 3.960 -0.000 0.000 0.238 250 G HA3 0.377 4.336 3.960 -0.000 0.000 0.238 250 G C 0.213 175.036 174.900 -0.128 0.000 1.184 250 G CA 0.734 45.739 45.100 -0.159 0.000 0.806 250 G HN 1.151 nan 8.290 nan 0.000 0.536 251 S N -1.903 113.723 115.700 -0.124 0.000 2.618 251 S HA 0.429 4.899 4.470 -0.000 0.000 0.277 251 S C 0.586 175.129 174.600 -0.094 0.000 1.138 251 S CA -0.430 57.721 58.200 -0.082 0.000 0.844 251 S CB 2.272 65.497 63.200 0.042 0.000 1.127 251 S HN 0.082 nan 8.310 nan 0.000 0.474 252 E N 1.107 121.257 120.200 -0.083 0.000 2.077 252 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 252 E C 1.778 178.354 176.600 -0.039 0.000 0.989 252 E CA 1.293 57.649 56.400 -0.074 0.000 0.800 252 E CB -0.134 29.515 29.700 -0.085 0.000 0.746 252 E HN 0.660 nan 8.360 nan 0.000 0.452 253 K N -0.375 120.044 120.400 0.032 0.000 2.097 253 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 253 K C 2.087 178.644 176.600 -0.072 0.000 1.049 253 K CA 1.293 57.601 56.287 0.035 0.000 0.933 253 K CB -0.318 32.272 32.500 0.150 0.000 0.717 253 K HN 0.263 nan 8.250 nan 0.000 0.442 254 G N 1.243 109.963 108.800 -0.133 0.000 2.422 254 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 254 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 254 G C 1.496 176.118 174.900 -0.464 0.000 1.146 254 G CA 0.461 45.357 45.100 -0.340 0.000 0.769 254 G HN 0.193 nan 8.290 nan 0.000 0.547 255 L N -0.229 120.835 121.223 -0.266 0.000 2.093 255 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 255 L C 2.931 179.782 176.870 -0.033 0.000 1.085 255 L CA 1.104 55.856 54.840 -0.147 0.000 0.755 255 L CB -0.249 41.755 42.059 -0.091 0.000 0.904 255 L HN 0.174 nan 8.230 nan 0.000 0.435 256 K N -0.064 120.312 120.400 -0.040 0.000 2.097 256 K HA -0.224 4.096 4.320 -0.000 0.000 0.205 256 K C 1.998 178.618 176.600 0.034 0.000 1.050 256 K CA 1.303 57.594 56.287 0.007 0.000 0.938 256 K CB -0.028 32.470 32.500 -0.003 0.000 0.718 256 K HN 0.137 nan 8.250 nan 0.000 0.442 257 E N 0.415 120.613 120.200 -0.004 0.000 2.097 257 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 257 E C 1.318 178.082 176.600 0.273 0.000 1.000 257 E CA 1.372 57.811 56.400 0.065 0.000 0.804 257 E CB -0.030 29.651 29.700 -0.031 0.000 0.740 257 E HN 0.151 nan 8.360 nan 0.000 0.454 258 F N -0.394 119.573 119.950 0.028 0.000 2.780 258 F HA 0.300 4.827 4.527 -0.000 0.000 0.299 258 F C 1.712 177.593 175.800 0.136 0.000 1.146 258 F CA 0.808 58.845 58.000 0.061 0.000 1.428 258 F CB -0.190 38.823 39.000 0.021 0.000 1.115 258 F HN 0.223 nan 8.300 nan 0.000 0.583 259 G N 1.006 109.968 108.800 0.270 0.000 2.198 259 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.257 259 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.257 259 G C -0.308 174.765 174.900 0.287 0.000 1.042 259 G CA 0.211 45.431 45.100 0.199 0.000 0.791 259 G HN 0.161 nan 8.290 nan 0.000 0.502 260 V N 0.174 120.211 119.914 0.206 0.000 2.384 260 V HA 0.517 4.637 4.120 -0.000 0.000 0.287 260 V C 0.303 176.428 176.094 0.051 0.000 1.020 260 V CA -0.825 61.547 62.300 0.120 0.000 0.850 260 V CB 1.665 33.524 31.823 0.060 0.000 0.987 260 V HN 0.439 nan 8.190 nan 0.000 0.436 261 E N 2.907 123.131 120.200 0.040 0.000 2.248 261 E HA 0.332 4.682 4.350 -0.000 0.000 0.272 261 E C 0.332 176.932 176.600 -0.000 0.000 1.008 261 E CA -0.835 55.574 56.400 0.015 0.000 0.856 261 E CB 1.685 31.398 29.700 0.023 0.000 1.120 261 E HN 0.387 nan 8.360 nan 0.000 0.397 262 L N 1.923 123.149 121.223 0.006 0.000 2.127 262 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 262 L C 2.046 178.960 176.870 0.073 0.000 1.089 262 L CA 1.953 56.820 54.840 0.045 0.000 0.757 262 L CB -0.634 41.461 42.059 0.059 0.000 0.899 262 L HN 0.780 nan 8.230 nan 0.000 0.434 263 A N -1.685 121.167 122.820 0.054 0.000 2.119 263 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 263 A C 2.246 179.857 177.584 0.044 0.000 1.153 263 A CA 1.177 53.252 52.037 0.064 0.000 0.692 263 A CB -0.462 18.566 19.000 0.048 0.000 0.799 263 A HN 0.407 nan 8.150 nan 0.000 0.458 264 M N -0.606 119.004 119.600 0.017 0.000 2.175 264 M HA -0.067 4.413 4.480 -0.000 0.000 0.264 264 M C 1.801 178.078 176.300 -0.040 0.000 1.063 264 M CA 1.292 56.591 55.300 -0.001 0.000 1.119 264 M CB -0.375 32.224 32.600 -0.003 0.000 1.377 264 M HN 0.375 nan 8.290 nan 0.000 0.415 265 L N -0.729 120.432 121.223 -0.104 0.000 2.179 265 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 265 L C 1.872 178.682 176.870 -0.100 0.000 1.096 265 L CA 0.475 55.162 54.840 -0.255 0.000 0.779 265 L CB -0.795 40.819 42.059 -0.741 0.000 0.922 265 L HN 0.229 nan 8.230 nan 0.000 0.443 266 D N 0.497 120.963 120.400 0.109 0.000 2.116 266 D HA -0.249 4.391 4.640 -0.000 0.000 0.193 266 D C 1.996 178.365 176.300 0.116 0.000 0.998 266 D CA 1.366 55.490 54.000 0.208 0.000 0.836 266 D CB -0.030 40.889 40.800 0.198 0.000 0.951 266 D HN 0.366 nan 8.370 nan 0.000 0.449 267 E N 0.277 120.520 120.200 0.072 0.000 2.110 267 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 267 E C 2.014 178.647 176.600 0.055 0.000 0.988 267 E CA 0.840 57.276 56.400 0.061 0.000 0.804 267 E CB 0.046 29.774 29.700 0.046 0.000 0.745 267 E HN 0.168 nan 8.360 nan 0.000 0.458 268 A N 1.318 124.154 122.820 0.027 0.000 1.902 268 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 268 A C 2.153 179.761 177.584 0.040 0.000 1.181 268 A CA 1.175 53.221 52.037 0.015 0.000 0.623 268 A CB -0.445 18.535 19.000 -0.033 0.000 0.818 268 A HN 0.124 nan 8.150 nan 0.000 0.443 269 R N -0.688 119.850 120.500 0.063 0.000 2.083 269 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 269 R C 2.431 178.777 176.300 0.076 0.000 1.137 269 R CA 1.416 57.568 56.100 0.087 0.000 0.951 269 R CB -0.389 29.998 30.300 0.145 0.000 0.851 269 R HN 0.516 nan 8.270 nan 0.000 0.434 270 A N 0.018 122.887 122.820 0.081 0.000 1.930 270 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 270 A C 2.270 179.913 177.584 0.098 0.000 1.175 270 A CA 1.164 53.245 52.037 0.074 0.000 0.627 270 A CB -0.380 18.664 19.000 0.074 0.000 0.815 270 A HN 0.170 nan 8.150 nan 0.000 0.443 271 V N -0.022 119.973 119.914 0.136 0.000 2.358 271 V HA -0.160 3.960 4.120 -0.000 0.000 0.246 271 V C 2.839 179.075 176.094 0.237 0.000 1.047 271 V CA 1.833 64.283 62.300 0.251 0.000 1.035 271 V CB -1.436 30.485 31.823 0.162 0.000 0.658 271 V HN 0.605 nan 8.190 nan 0.000 0.452 272 G N -0.028 108.844 108.800 0.121 0.000 2.513 272 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 272 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 272 G C 1.729 176.662 174.900 0.055 0.000 1.160 272 G CA 1.232 46.380 45.100 0.079 0.000 0.767 272 G HN 0.634 nan 8.290 nan 0.000 0.571 273 A N -0.072 122.770 122.820 0.036 0.000 2.015 273 A HA 0.067 4.387 4.320 -0.000 0.000 0.219 273 A C 2.144 179.693 177.584 -0.060 0.000 1.163 273 A CA 1.914 53.947 52.037 -0.006 0.000 0.646 273 A CB -0.250 18.748 19.000 -0.003 0.000 0.806 273 A HN 0.494 nan 8.150 nan 0.000 0.448 274 E N -2.257 117.887 120.200 -0.092 0.000 2.190 274 E HA 0.030 4.380 4.350 -0.000 0.000 0.191 274 E C 0.827 177.156 176.600 -0.452 0.000 0.978 274 E CA 0.639 56.833 56.400 -0.345 0.000 0.839 274 E CB 0.104 29.472 29.700 -0.554 0.000 0.787 274 E HN 0.626 nan 8.360 nan 0.000 0.473 275 F N -0.218 119.714 119.950 -0.031 0.000 2.747 275 F HA 0.247 4.774 4.527 -0.000 0.000 0.305 275 F C 0.368 176.133 175.800 -0.059 0.000 1.065 275 F CA -0.482 57.492 58.000 -0.043 0.000 1.230 275 F CB 0.332 39.307 39.000 -0.041 0.000 1.027 275 F HN -0.225 nan 8.300 nan 0.000 0.607 276 N N 0.759 119.525 118.700 0.110 0.000 2.518 276 N HA 0.252 4.992 4.740 -0.000 0.000 0.283 276 N C -0.099 175.409 175.510 -0.003 0.000 1.119 276 N CA -0.230 52.846 53.050 0.043 0.000 0.983 276 N CB 0.612 39.118 38.487 0.032 0.000 1.139 276 N HN -0.020 nan 8.380 nan 0.000 0.465 277 R N 2.052 122.538 120.500 -0.024 0.000 4.138 277 R HA 0.274 4.614 4.340 -0.000 0.000 0.206 277 R C -0.502 175.787 176.300 -0.018 0.000 1.667 277 R CA 0.007 56.093 56.100 -0.022 0.000 1.481 277 R CB -0.284 29.998 30.300 -0.030 0.000 1.388 277 R HN 0.368 nan 8.270 nan 0.000 0.776 278 I N 0.740 121.285 120.570 -0.041 0.000 2.447 278 I HA 0.196 4.366 4.170 -0.000 0.000 0.287 278 I C 0.986 177.060 176.117 -0.072 0.000 1.023 278 I CA -0.487 60.766 61.300 -0.079 0.000 1.083 278 I CB 1.594 39.531 38.000 -0.105 0.000 1.245 278 I HN 0.300 nan 8.210 nan 0.000 0.434 279 A N 5.329 128.101 122.820 -0.079 0.000 1.897 279 A HA 0.225 4.545 4.320 -0.000 0.000 0.215 279 A C 1.331 178.881 177.584 -0.057 0.000 1.181 279 A CA 1.243 53.246 52.037 -0.057 0.000 0.620 279 A CB -0.444 18.527 19.000 -0.047 0.000 0.821 279 A HN 0.743 nan 8.150 nan 0.000 0.443 280 G N -1.595 107.156 108.800 -0.082 0.000 2.535 280 G HA2 0.399 4.359 3.960 -0.000 0.000 0.282 280 G HA3 0.399 4.359 3.960 -0.000 0.000 0.282 280 G C 0.226 175.095 174.900 -0.052 0.000 1.350 280 G CA -0.185 44.878 45.100 -0.061 0.000 1.039 280 G HN 0.125 nan 8.290 nan 0.000 0.509 281 E N -0.562 119.625 120.200 -0.022 0.000 2.481 281 E HA 0.069 4.419 4.350 -0.000 0.000 0.198 281 E C -0.163 176.443 176.600 0.011 0.000 1.027 281 E CA -0.022 56.375 56.400 -0.005 0.000 0.900 281 E CB 0.188 29.893 29.700 0.009 0.000 0.993 281 E HN 0.438 nan 8.360 nan 0.000 0.482 282 N N -0.152 118.553 118.700 0.009 0.000 2.372 282 N HA 0.169 4.909 4.740 -0.000 0.000 0.285 282 N C 0.127 175.626 175.510 -0.018 0.000 1.008 282 N CA -0.391 52.693 53.050 0.058 0.000 0.880 282 N CB 1.524 40.130 38.487 0.198 0.000 1.239 282 N HN 0.026 nan 8.380 nan 0.000 0.484 283 C N 0.242 119.548 119.300 0.010 0.000 4.015 283 C HA 0.429 4.889 4.460 -0.000 0.000 0.323 283 C C -0.218 174.769 174.990 -0.004 0.000 1.724 283 C CA -0.626 58.373 59.018 -0.031 0.000 1.828 283 C CB -1.104 26.615 27.740 -0.035 0.000 3.083 283 C HN 0.522 nan 8.230 nan 0.000 0.640 284 L N 1.553 122.767 121.223 -0.014 0.000 2.375 284 L HA 0.580 4.920 4.340 -0.000 0.000 0.268 284 L C -0.724 176.051 176.870 -0.157 0.000 1.058 284 L CA -0.506 54.234 54.840 -0.167 0.000 0.803 284 L CB 1.411 43.284 42.059 -0.311 0.000 1.212 284 L HN 0.265 nan 8.230 nan 0.000 0.451 285 Y N 2.455 122.456 120.300 -0.500 0.000 2.330 285 Y HA 0.486 5.036 4.550 -0.000 0.000 0.324 285 Y C -1.554 174.131 175.900 -0.358 0.000 1.093 285 Y CA -1.776 56.174 58.100 -0.251 0.000 1.103 285 Y CB 0.971 39.466 38.460 0.059 0.000 1.183 285 Y HN 0.222 nan 8.280 nan 0.000 0.433 286 F N 3.439 123.560 119.950 0.286 0.000 2.492 286 F HA 0.629 5.156 4.527 -0.000 0.000 0.327 286 F C 0.147 176.004 175.800 0.096 0.000 1.079 286 F CA -0.953 57.025 58.000 -0.038 0.000 0.967 286 F CB 1.817 40.830 39.000 0.021 0.000 1.169 286 F HN 0.366 nan 8.300 nan 0.000 0.472 287 E N 0.264 120.589 120.200 0.208 0.000 2.256 287 E HA 0.618 4.968 4.350 -0.000 0.000 0.267 287 E C -0.702 175.999 176.600 0.169 0.000 0.892 287 E CA -0.644 55.900 56.400 0.241 0.000 0.775 287 E CB 2.648 32.492 29.700 0.242 0.000 1.207 287 E HN 0.767 nan 8.360 nan 0.000 0.420 288 T N -1.523 113.137 114.554 0.177 0.000 2.626 288 T HA 0.899 5.249 4.350 -0.000 0.000 0.279 288 T C -0.074 174.705 174.700 0.132 0.000 0.983 288 T CA -0.563 61.634 62.100 0.162 0.000 1.059 288 T CB 1.938 70.945 68.868 0.231 0.000 1.396 288 T HN 0.682 nan 8.240 nan 0.000 0.519 289 G N -0.007 108.859 108.800 0.111 0.000 2.322 289 G HA2 0.345 4.305 3.960 -0.000 0.000 0.289 289 G HA3 0.345 4.305 3.960 -0.000 0.000 0.289 289 G C -1.555 173.378 174.900 0.055 0.000 1.687 289 G CA -1.035 44.130 45.100 0.109 0.000 0.944 289 G HN 0.831 nan 8.290 nan 0.000 0.718 290 Q N -0.122 119.711 119.800 0.055 0.000 2.311 290 Q HA 0.427 4.767 4.340 -0.000 0.000 0.272 290 Q C 1.342 177.293 176.000 -0.082 0.000 1.012 290 Q CA 1.507 57.309 55.803 -0.003 0.000 0.891 290 Q CB 1.144 29.909 28.738 0.044 0.000 1.201 290 Q HN 2.048 nan 8.270 nan 0.000 0.391 291 G N 0.915 109.564 108.800 -0.252 0.000 2.253 291 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.209 291 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.209 291 G C 0.981 175.485 174.900 -0.659 0.000 0.997 291 G CA 0.330 44.983 45.100 -0.746 0.000 0.640 291 G HN 0.674 nan 8.290 nan 0.000 0.496 292 S N 0.930 116.473 115.700 -0.261 0.000 2.368 292 S HA 0.331 4.801 4.470 -0.000 0.000 0.224 292 S C 2.596 177.101 174.600 -0.157 0.000 1.029 292 S CA 1.804 59.949 58.200 -0.091 0.000 0.988 292 S CB -0.449 62.808 63.200 0.095 0.000 0.838 292 S HN 1.698 nan 8.310 nan 0.000 0.462 293 A N 1.797 124.500 122.820 -0.194 0.000 1.898 293 A HA 0.120 4.440 4.320 -0.000 0.000 0.216 293 A C 2.238 179.719 177.584 -0.171 0.000 1.181 293 A CA 1.493 53.418 52.037 -0.187 0.000 0.620 293 A CB -0.908 18.004 19.000 -0.146 0.000 0.819 293 A HN 0.524 nan 8.150 nan 0.000 0.442 294 L N -0.125 120.979 121.223 -0.198 0.000 2.083 294 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 294 L C 2.556 179.376 176.870 -0.082 0.000 1.083 294 L CA 2.485 57.236 54.840 -0.148 0.000 0.752 294 L CB -0.809 41.154 42.059 -0.160 0.000 0.899 294 L HN 0.345 nan 8.230 nan 0.000 0.433 295 S N -0.852 114.778 115.700 -0.115 0.000 2.383 295 S HA -0.140 4.330 4.470 -0.000 0.000 0.229 295 S C 1.940 176.550 174.600 0.018 0.000 1.030 295 S CA 1.119 59.351 58.200 0.055 0.000 1.002 295 S CB -0.360 62.902 63.200 0.105 0.000 0.829 295 S HN 0.623 nan 8.310 nan 0.000 0.467 296 A N -0.359 122.429 122.820 -0.054 0.000 2.251 296 A HA 0.491 4.811 4.320 -0.000 0.000 0.209 296 A C 1.596 179.115 177.584 -0.108 0.000 1.187 296 A CA 0.846 52.838 52.037 -0.074 0.000 0.823 296 A CB -0.987 17.919 19.000 -0.157 0.000 0.846 296 A HN 1.334 nan 8.150 nan 0.000 0.486 297 G N -2.048 106.678 108.800 -0.123 0.000 2.176 297 G HA2 0.026 3.986 3.960 -0.000 0.000 0.252 297 G HA3 0.026 3.986 3.960 -0.000 0.000 0.252 297 G C 0.586 175.276 174.900 -0.350 0.000 1.024 297 G CA 0.442 45.429 45.100 -0.188 0.000 0.755 297 G HN 1.637 nan 8.290 nan 0.000 0.507 298 A N -0.226 122.407 122.820 -0.312 0.000 2.624 298 A HA 0.446 4.766 4.320 -0.000 0.000 0.287 298 A C 1.610 179.114 177.584 -0.133 0.000 1.087 298 A CA 0.861 52.699 52.037 -0.332 0.000 0.964 298 A CB -0.045 18.864 19.000 -0.151 0.000 1.231 298 A HN 0.685 nan 8.150 nan 0.000 0.551 299 N N -0.453 118.149 118.700 -0.164 0.000 2.415 299 N HA -0.029 4.711 4.740 -0.000 0.000 0.176 299 N C 0.097 175.694 175.510 0.144 0.000 1.042 299 N CA 0.431 53.482 53.050 0.001 0.000 0.902 299 N CB -0.460 37.997 38.487 -0.049 0.000 0.986 299 N HN 0.265 nan 8.380 nan 0.000 0.447 300 F N 0.790 120.713 119.950 -0.046 0.000 3.074 300 F HA -0.149 4.378 4.527 -0.000 0.000 0.287 300 F C 1.458 177.244 175.800 -0.024 0.000 0.932 300 F CA 0.816 58.796 58.000 -0.034 0.000 0.995 300 F CB -1.729 37.247 39.000 -0.041 0.000 0.966 300 F HN 0.411 nan 8.300 nan 0.000 0.721 301 G N -1.396 107.446 108.800 0.069 0.000 2.179 301 G HA2 0.045 4.005 3.960 -0.000 0.000 0.260 301 G HA3 0.045 4.005 3.960 -0.000 0.000 0.260 301 G C 0.244 175.173 174.900 0.048 0.000 0.977 301 G CA -0.010 45.122 45.100 0.053 0.000 0.641 301 G HN 1.604 nan 8.290 nan 0.000 0.533 302 A N 0.645 123.496 122.820 0.052 0.000 2.303 302 A HA 0.623 4.943 4.320 -0.000 0.000 0.317 302 A C 0.557 178.147 177.584 0.010 0.000 1.149 302 A CA 0.221 52.276 52.037 0.030 0.000 0.822 302 A CB 0.535 19.554 19.000 0.032 0.000 1.131 302 A HN 0.694 nan 8.150 nan 0.000 0.493 303 D N 1.208 121.610 120.400 0.004 0.000 2.360 303 D HA -0.056 4.584 4.640 -0.000 0.000 0.242 303 D C 0.736 177.028 176.300 -0.014 0.000 1.184 303 D CA 0.097 54.097 54.000 0.001 0.000 0.930 303 D CB 0.662 41.464 40.800 0.003 0.000 1.161 303 D HN 0.705 nan 8.370 nan 0.000 0.447 304 Q N -0.040 119.751 119.800 -0.015 0.000 2.378 304 Q HA -0.032 4.308 4.340 -0.000 0.000 0.205 304 Q C 1.674 177.654 176.000 -0.033 0.000 0.954 304 Q CA 0.479 56.258 55.803 -0.041 0.000 0.901 304 Q CB -0.024 28.686 28.738 -0.046 0.000 0.981 304 Q HN 0.347 nan 8.270 nan 0.000 0.483 305 V N 1.492 121.402 119.914 -0.007 0.000 2.346 305 V HA -0.183 3.937 4.120 -0.000 0.000 0.244 305 V C 2.145 178.229 176.094 -0.017 0.000 1.037 305 V CA 2.119 64.423 62.300 0.007 0.000 1.029 305 V CB -0.662 31.181 31.823 0.035 0.000 0.663 305 V HN 0.442 nan 8.190 nan 0.000 0.454 306 T N 0.040 114.584 114.554 -0.018 0.000 2.746 306 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 306 T C 1.973 176.634 174.700 -0.066 0.000 1.039 306 T CA 1.451 63.534 62.100 -0.028 0.000 1.142 306 T CB -0.288 68.570 68.868 -0.018 0.000 0.866 306 T HN 0.156 nan 8.240 nan 0.000 0.444 307 M N 0.980 120.536 119.600 -0.074 0.000 2.175 307 M HA 0.012 4.492 4.480 -0.000 0.000 0.264 307 M C 2.314 178.510 176.300 -0.175 0.000 1.063 307 M CA 1.310 56.548 55.300 -0.104 0.000 1.119 307 M CB -1.091 31.455 32.600 -0.090 0.000 1.377 307 M HN 0.232 nan 8.290 nan 0.000 0.415 308 E N 0.478 120.561 120.200 -0.195 0.000 2.107 308 E HA -0.028 4.322 4.350 -0.000 0.000 0.191 308 E C 1.925 178.122 176.600 -0.672 0.000 0.982 308 E CA 1.492 57.686 56.400 -0.344 0.000 0.809 308 E CB -0.146 29.431 29.700 -0.204 0.000 0.756 308 E HN 0.358 nan 8.360 nan 0.000 0.459 309 A N 0.812 123.405 122.820 -0.379 0.000 1.940 309 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 309 A C 2.193 179.629 177.584 -0.247 0.000 1.176 309 A CA 1.695 53.570 52.037 -0.269 0.000 0.631 309 A CB -0.488 18.490 19.000 -0.036 0.000 0.814 309 A HN 0.222 nan 8.150 nan 0.000 0.446 310 R N -0.582 119.790 120.500 -0.213 0.000 2.148 310 R HA -0.059 4.281 4.340 -0.000 0.000 0.223 310 R C 1.812 178.007 176.300 -0.175 0.000 1.088 310 R CA 0.917 56.926 56.100 -0.152 0.000 0.985 310 R CB -0.288 29.936 30.300 -0.127 0.000 0.880 310 R HN 0.488 nan 8.270 nan 0.000 0.451 311 N N 0.200 118.733 118.700 -0.279 0.000 2.094 311 N HA -0.197 4.543 4.740 -0.000 0.000 0.191 311 N C 1.409 176.877 175.510 -0.069 0.000 1.023 311 N CA 1.510 54.419 53.050 -0.235 0.000 0.857 311 N CB -0.196 38.107 38.487 -0.307 0.000 1.013 311 N HN 0.255 nan 8.380 nan 0.000 0.426 312 Y N 0.157 120.448 120.300 -0.015 0.000 2.337 312 Y HA 0.147 4.697 4.550 -0.000 0.000 0.293 312 Y C 2.560 178.460 175.900 -0.001 0.000 1.123 312 Y CA 0.409 58.513 58.100 0.007 0.000 1.201 312 Y CB -1.105 37.361 38.460 0.011 0.000 1.011 312 Y HN 0.005 nan 8.280 nan 0.000 0.545 313 G N 0.234 109.097 108.800 0.105 0.000 2.402 313 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 313 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 313 G C 1.733 176.644 174.900 0.020 0.000 1.162 313 G CA 0.982 46.108 45.100 0.042 0.000 0.777 313 G HN 0.359 nan 8.290 nan 0.000 0.539 314 L N 1.526 122.739 121.223 -0.016 0.000 1.994 314 L HA 0.131 4.471 4.340 -0.000 0.000 0.208 314 L C 3.009 179.907 176.870 0.047 0.000 1.071 314 L CA 2.370 57.194 54.840 -0.027 0.000 0.745 314 L CB -0.903 41.097 42.059 -0.098 0.000 0.892 314 L HN 0.218 nan 8.230 nan 0.000 0.431 315 A N -0.277 122.551 122.820 0.014 0.000 1.908 315 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 315 A C 2.444 180.200 177.584 0.286 0.000 1.181 315 A CA 1.895 53.992 52.037 0.101 0.000 0.627 315 A CB -0.704 18.429 19.000 0.221 0.000 0.818 315 A HN 0.524 nan 8.150 nan 0.000 0.445 316 R N -0.517 120.093 120.500 0.183 0.000 2.120 316 R HA -0.192 4.148 4.340 -0.000 0.000 0.234 316 R C 1.899 178.255 176.300 0.093 0.000 1.123 316 R CA 2.157 58.337 56.100 0.134 0.000 0.975 316 R CB -1.056 29.293 30.300 0.082 0.000 0.866 316 R HN 0.735 nan 8.270 nan 0.000 0.446 317 H N -1.362 117.672 119.070 -0.059 0.000 2.422 317 H HA -0.138 4.418 4.556 -0.000 0.000 0.298 317 H C 0.518 175.659 175.328 -0.311 0.000 1.098 317 H CA 2.125 58.015 56.048 -0.263 0.000 1.315 317 H CB -0.022 29.446 29.762 -0.491 0.000 1.382 317 H HN 0.395 nan 8.280 nan 0.000 0.523 318 Y N -0.583 119.810 120.300 0.155 0.000 2.458 318 Y HA 0.124 4.674 4.550 -0.000 0.000 0.256 318 Y C 0.480 176.467 175.900 0.145 0.000 1.159 318 Y CA 0.107 58.310 58.100 0.171 0.000 1.261 318 Y CB 0.413 39.101 38.460 0.381 0.000 1.119 318 Y HN 0.111 nan 8.280 nan 0.000 0.524 319 D N 1.555 122.081 120.400 0.209 0.000 2.810 319 D HA -0.152 4.488 4.640 -0.000 0.000 0.224 319 D C -2.602 173.799 176.300 0.168 0.000 1.222 319 D CA -0.027 54.061 54.000 0.146 0.000 0.698 319 D CB 0.039 40.881 40.800 0.070 0.000 0.961 319 D HN 0.169 nan 8.370 nan 0.000 0.403 320 P HA 0.034 nan 4.420 nan 0.000 0.274 320 P C 0.879 178.251 177.300 0.121 0.000 1.237 320 P CA -0.581 62.591 63.100 0.118 0.000 0.793 320 P CB 0.476 32.231 31.700 0.093 0.000 0.977 321 F N 2.510 122.426 119.950 -0.057 0.000 2.134 321 F HA 0.002 4.529 4.527 -0.000 0.000 0.299 321 F C 0.947 176.675 175.800 -0.121 0.000 1.097 321 F CA 1.211 59.154 58.000 -0.095 0.000 1.264 321 F CB -0.106 38.807 39.000 -0.144 0.000 1.001 321 F HN 0.239 nan 8.300 nan 0.000 0.479 322 I N -1.432 118.992 120.570 -0.244 0.000 2.722 322 I HA 0.576 4.746 4.170 -0.000 0.000 0.295 322 I C -1.566 174.638 176.117 0.144 0.000 1.161 322 I CA -1.154 59.967 61.300 -0.299 0.000 1.032 322 I CB 2.135 39.628 38.000 -0.846 0.000 1.244 322 I HN -0.351 nan 8.210 nan 0.000 0.421 323 V N 4.385 124.463 119.914 0.273 0.000 2.656 323 V HA 0.558 4.677 4.120 -0.000 0.000 0.307 323 V C -0.739 175.575 176.094 0.366 0.000 1.051 323 V CA -0.493 62.052 62.300 0.408 0.000 0.893 323 V CB 1.956 33.969 31.823 0.316 0.000 0.999 323 V HN 0.965 nan 8.190 nan 0.000 0.426 324 N N 0.799 119.729 118.700 0.384 0.000 2.249 324 N HA 0.261 5.001 4.740 -0.000 0.000 0.296 324 N C -0.549 175.066 175.510 0.175 0.000 1.051 324 N CA -0.419 52.708 53.050 0.127 0.000 0.815 324 N CB 2.186 40.608 38.487 -0.109 0.000 1.487 324 N HN 0.513 nan 8.380 nan 0.000 0.475 325 T N 0.320 114.963 114.554 0.149 0.000 2.932 325 T HA 0.123 4.473 4.350 -0.000 0.000 0.312 325 T C -0.073 174.685 174.700 0.096 0.000 1.071 325 T CA -0.169 62.030 62.100 0.165 0.000 1.128 325 T CB 0.047 69.037 68.868 0.203 0.000 0.984 325 T HN 0.339 nan 8.240 nan 0.000 0.549 326 V N 7.385 127.347 119.914 0.080 0.000 2.240 326 V HA 0.251 4.371 4.120 -0.000 0.000 0.265 326 V C 1.309 177.497 176.094 0.157 0.000 1.073 326 V CA -0.457 61.875 62.300 0.053 0.000 0.857 326 V CB 0.381 32.093 31.823 -0.183 0.000 1.114 326 V HN 0.842 nan 8.190 nan 0.000 0.469 327 V N 4.164 124.180 119.914 0.170 0.000 2.358 327 V HA 0.053 4.173 4.120 -0.000 0.000 0.246 327 V C 1.697 177.909 176.094 0.197 0.000 1.047 327 V CA 2.415 64.817 62.300 0.171 0.000 1.035 327 V CB 0.165 32.077 31.823 0.147 0.000 0.658 327 V HN 0.846 nan 8.190 nan 0.000 0.452 328 G N -1.905 107.034 108.800 0.232 0.000 4.433 328 G HA2 0.136 4.096 3.960 -0.000 0.000 0.304 328 G HA3 0.136 4.096 3.960 -0.000 0.000 0.304 328 G C 0.502 175.553 174.900 0.252 0.000 1.254 328 G CA -0.078 45.159 45.100 0.228 0.000 0.999 328 G HN 0.464 nan 8.290 nan 0.000 0.576 329 F N 0.099 120.093 119.950 0.073 0.000 2.325 329 F HA 0.183 4.710 4.527 -0.000 0.000 0.299 329 F C 1.907 177.712 175.800 0.008 0.000 1.090 329 F CA 1.069 59.044 58.000 -0.042 0.000 1.392 329 F CB 0.349 39.284 39.000 -0.109 0.000 1.053 329 F HN 0.224 nan 8.300 nan 0.000 0.521 330 I N -1.041 119.590 120.570 0.101 0.000 2.681 330 I HA 0.327 4.497 4.170 -0.000 0.000 0.247 330 I C 1.145 177.314 176.117 0.087 0.000 1.091 330 I CA 0.688 62.043 61.300 0.092 0.000 1.442 330 I CB -0.173 38.018 38.000 0.318 0.000 1.219 330 I HN 0.156 nan 8.210 nan 0.000 0.451 331 G N 0.136 108.953 108.800 0.029 0.000 2.352 331 G HA2 0.015 3.974 3.960 -0.000 0.000 0.283 331 G HA3 0.015 3.974 3.960 -0.000 0.000 0.283 331 G C -2.543 172.235 174.900 -0.203 0.000 1.308 331 G CA -0.186 44.764 45.100 -0.250 0.000 0.892 331 G HN -0.155 nan 8.290 nan 0.000 0.504 332 P HA 0.034 nan 4.420 nan 0.000 0.233 332 P C 1.326 178.604 177.300 -0.036 0.000 1.167 332 P CA 1.441 64.502 63.100 -0.065 0.000 0.770 332 P CB 0.126 31.828 31.700 0.004 0.000 0.837 333 E N -0.212 119.856 120.200 -0.220 0.000 2.347 333 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 333 E C 1.098 177.500 176.600 -0.331 0.000 1.008 333 E CA 1.070 57.271 56.400 -0.332 0.000 0.852 333 E CB -0.820 28.569 29.700 -0.520 0.000 0.783 333 E HN 0.404 nan 8.360 nan 0.000 0.505 334 Y N 0.291 120.622 120.300 0.052 0.000 2.607 334 Y HA 0.357 4.907 4.550 -0.000 0.000 0.276 334 Y C 1.066 177.008 175.900 0.069 0.000 1.117 334 Y CA -0.454 57.679 58.100 0.056 0.000 1.273 334 Y CB 0.907 39.403 38.460 0.059 0.000 1.282 334 Y HN -0.182 nan 8.280 nan 0.000 0.514 335 L N -0.364 120.982 121.223 0.206 0.000 2.441 335 L HA 0.229 4.569 4.340 -0.000 0.000 0.270 335 L C -0.160 176.790 176.870 0.134 0.000 0.973 335 L CA -0.639 54.297 54.840 0.160 0.000 0.842 335 L CB 1.679 43.827 42.059 0.147 0.000 1.239 335 L HN 0.148 nan 8.230 nan 0.000 0.406 336 Y N 3.755 124.061 120.300 0.011 0.000 2.231 336 Y HA 0.031 4.581 4.550 -0.000 0.000 0.294 336 Y C 0.867 176.756 175.900 -0.018 0.000 1.120 336 Y CA 0.868 58.956 58.100 -0.020 0.000 1.141 336 Y CB 0.586 39.036 38.460 -0.015 0.000 1.022 336 Y HN 0.819 nan 8.280 nan 0.000 0.523 337 N N -1.342 117.245 118.700 -0.189 0.000 3.229 337 N HA 0.147 4.887 4.740 -0.000 0.000 0.315 337 N C -0.143 175.288 175.510 -0.132 0.000 1.520 337 N CA -0.055 52.803 53.050 -0.320 0.000 0.769 337 N CB 0.077 38.359 38.487 -0.341 0.000 1.766 337 N HN -0.115 nan 8.380 nan 0.000 0.618 338 D N -0.184 120.133 120.400 -0.138 0.000 2.126 338 D HA -0.221 4.419 4.640 -0.000 0.000 0.190 338 D C 1.703 177.985 176.300 -0.030 0.000 1.001 338 D CA 2.044 55.992 54.000 -0.086 0.000 0.841 338 D CB -0.058 40.686 40.800 -0.093 0.000 0.949 338 D HN 0.652 nan 8.370 nan 0.000 0.446 339 R N 0.667 121.159 120.500 -0.015 0.000 2.092 339 R HA -0.123 4.217 4.340 -0.000 0.000 0.231 339 R C 1.935 178.256 176.300 0.034 0.000 1.119 339 R CA 1.303 57.410 56.100 0.012 0.000 0.970 339 R CB -0.188 30.125 30.300 0.021 0.000 0.864 339 R HN 0.273 nan 8.270 nan 0.000 0.440 340 Q N 0.318 120.146 119.800 0.047 0.000 2.083 340 Q HA -0.046 4.294 4.340 -0.000 0.000 0.198 340 Q C 2.224 178.267 176.000 0.071 0.000 0.969 340 Q CA 1.557 57.402 55.803 0.070 0.000 0.838 340 Q CB 0.009 28.807 28.738 0.100 0.000 0.900 340 Q HN 0.410 nan 8.270 nan 0.000 0.436 341 I N 0.275 120.881 120.570 0.060 0.000 2.252 341 I HA -0.261 3.908 4.170 -0.000 0.000 0.245 341 I C 2.065 178.226 176.117 0.074 0.000 1.102 341 I CA 0.926 62.272 61.300 0.077 0.000 1.385 341 I CB -0.138 37.907 38.000 0.074 0.000 1.064 341 I HN 0.180 nan 8.210 nan 0.000 0.414 342 I N 0.495 121.097 120.570 0.052 0.000 2.127 342 I HA -0.347 3.823 4.170 -0.000 0.000 0.241 342 I C 2.774 178.928 176.117 0.062 0.000 1.075 342 I CA 1.424 62.754 61.300 0.050 0.000 1.334 342 I CB -0.336 37.682 38.000 0.030 0.000 1.040 342 I HN 0.186 nan 8.210 nan 0.000 0.405 343 R N 1.548 122.083 120.500 0.058 0.000 2.083 343 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 343 R C 2.159 178.507 176.300 0.081 0.000 1.137 343 R CA 2.031 58.167 56.100 0.060 0.000 0.951 343 R CB -0.803 29.527 30.300 0.050 0.000 0.851 343 R HN 0.367 nan 8.270 nan 0.000 0.434 344 A N -0.304 122.571 122.820 0.091 0.000 1.902 344 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 344 A C 2.436 180.101 177.584 0.135 0.000 1.181 344 A CA 1.648 53.752 52.037 0.112 0.000 0.623 344 A CB -1.460 17.609 19.000 0.114 0.000 0.818 344 A HN 0.555 nan 8.150 nan 0.000 0.443 345 G N 0.008 108.882 108.800 0.123 0.000 2.440 345 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 345 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 345 G C 1.542 176.536 174.900 0.156 0.000 1.154 345 G CA 1.165 46.342 45.100 0.129 0.000 0.767 345 G HN 0.452 nan 8.290 nan 0.000 0.552 346 L N -0.126 121.181 121.223 0.141 0.000 2.093 346 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 346 L C 2.849 179.846 176.870 0.213 0.000 1.085 346 L CA 1.114 56.056 54.840 0.170 0.000 0.755 346 L CB -0.498 41.628 42.059 0.111 0.000 0.904 346 L HN 0.275 nan 8.230 nan 0.000 0.435 347 E N 0.336 120.641 120.200 0.175 0.000 2.031 347 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 347 E C 1.828 178.602 176.600 0.291 0.000 0.994 347 E CA 1.508 58.032 56.400 0.207 0.000 0.800 347 E CB -0.056 29.735 29.700 0.152 0.000 0.752 347 E HN 0.424 nan 8.360 nan 0.000 0.447 348 D N -0.326 120.238 120.400 0.273 0.000 2.104 348 D HA -0.197 4.443 4.640 -0.000 0.000 0.194 348 D C 1.820 178.260 176.300 0.232 0.000 0.994 348 D CA 1.136 55.343 54.000 0.345 0.000 0.830 348 D CB -0.471 40.514 40.800 0.310 0.000 0.959 348 D HN 0.309 nan 8.370 nan 0.000 0.452 349 H N -0.587 118.549 119.070 0.109 0.000 2.326 349 H HA -0.143 4.413 4.556 -0.000 0.000 0.301 349 H C 2.184 177.540 175.328 0.047 0.000 1.081 349 H CA 1.129 57.193 56.048 0.026 0.000 1.334 349 H CB -0.349 29.443 29.762 0.050 0.000 1.385 349 H HN 0.140 nan 8.280 nan 0.000 0.504 350 F N 1.276 121.158 119.950 -0.114 0.000 2.126 350 F HA -0.209 4.318 4.527 -0.000 0.000 0.299 350 F C 2.595 178.335 175.800 -0.100 0.000 1.096 350 F CA 1.594 59.512 58.000 -0.137 0.000 1.255 350 F CB -0.328 38.677 39.000 0.008 0.000 0.997 350 F HN 0.093 nan 8.300 nan 0.000 0.479 351 M N -0.052 119.583 119.600 0.057 0.000 2.175 351 M HA -0.067 4.413 4.480 -0.000 0.000 0.264 351 M C 2.500 178.735 176.300 -0.108 0.000 1.063 351 M CA 1.484 56.815 55.300 0.051 0.000 1.119 351 M CB -1.145 31.684 32.600 0.381 0.000 1.377 351 M HN 0.357 nan 8.290 nan 0.000 0.415 352 G N 0.720 109.275 108.800 -0.407 0.000 2.446 352 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 352 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 352 G C 1.687 176.362 174.900 -0.376 0.000 1.168 352 G CA 0.764 45.466 45.100 -0.664 0.000 0.771 352 G HN 0.245 nan 8.290 nan 0.000 0.551 353 K N -0.137 120.012 120.400 -0.419 0.000 2.097 353 K HA 0.066 4.386 4.320 -0.000 0.000 0.205 353 K C 2.374 178.786 176.600 -0.314 0.000 1.050 353 K CA 0.418 56.492 56.287 -0.355 0.000 0.938 353 K CB -0.664 31.576 32.500 -0.434 0.000 0.718 353 K HN 0.325 nan 8.250 nan 0.000 0.442 354 L N 1.563 122.524 121.223 -0.435 0.000 2.083 354 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 354 L C 1.732 178.503 176.870 -0.165 0.000 1.083 354 L CA 1.682 56.312 54.840 -0.350 0.000 0.752 354 L CB -0.577 41.170 42.059 -0.520 0.000 0.899 354 L HN -0.011 nan 8.230 nan 0.000 0.433 355 S N -0.133 115.491 115.700 -0.125 0.000 2.515 355 S HA 0.189 4.659 4.470 -0.000 0.000 0.231 355 S C 1.340 175.917 174.600 -0.038 0.000 0.987 355 S CA 0.652 58.831 58.200 -0.036 0.000 0.936 355 S CB -0.463 62.769 63.200 0.052 0.000 0.766 355 S HN 0.760 nan 8.310 nan 0.000 0.528 356 G N 2.049 110.803 108.800 -0.077 0.000 2.182 356 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.248 356 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.248 356 G C 0.001 174.883 174.900 -0.030 0.000 1.042 356 G CA 0.340 45.410 45.100 -0.051 0.000 0.775 356 G HN 0.675 nan 8.290 nan 0.000 0.501 357 I N -2.725 117.813 120.570 -0.052 0.000 2.750 357 I HA 0.836 5.005 4.170 -0.000 0.000 0.308 357 I C 0.630 176.717 176.117 -0.050 0.000 1.016 357 I CA -0.908 60.380 61.300 -0.020 0.000 1.098 357 I CB 2.160 40.173 38.000 0.022 0.000 1.279 357 I HN 0.070 nan 8.210 nan 0.000 0.454 358 S N 4.515 120.201 115.700 -0.024 0.000 3.517 358 S HA 0.289 4.759 4.470 -0.000 0.000 0.284 358 S C -0.178 174.429 174.600 0.012 0.000 1.260 358 S CA -0.563 57.607 58.200 -0.051 0.000 0.975 358 S CB -0.727 62.385 63.200 -0.147 0.000 1.540 358 S HN 0.514 nan 8.310 nan 0.000 0.506 359 M N 5.080 124.684 119.600 0.007 0.000 2.108 359 M HA 0.622 5.102 4.480 -0.000 0.000 0.354 359 M C 0.307 176.653 176.300 0.078 0.000 1.229 359 M CA -0.144 55.165 55.300 0.015 0.000 1.081 359 M CB 0.775 33.306 32.600 -0.115 0.000 1.606 359 M HN 0.529 nan 8.290 nan 0.000 0.467 360 G N 2.391 111.136 108.800 -0.092 0.000 3.075 360 G HA2 0.722 4.682 3.960 -0.000 0.000 0.253 360 G HA3 0.722 4.682 3.960 -0.000 0.000 0.253 360 G C -1.679 173.001 174.900 -0.367 0.000 1.353 360 G CA -0.586 44.215 45.100 -0.497 0.000 1.051 360 G HN 0.813 nan 8.290 nan 0.000 0.553 361 C N 0.332 119.368 119.300 -0.439 0.000 2.716 361 C HA 0.483 4.943 4.460 -0.000 0.000 0.366 361 C C -1.041 173.850 174.990 -0.165 0.000 1.073 361 C CA -0.985 57.919 59.018 -0.191 0.000 1.260 361 C CB 0.832 28.524 27.740 -0.080 0.000 1.755 361 C HN 0.719 nan 8.230 nan 0.000 0.475 362 D N 4.631 124.991 120.400 -0.067 0.000 2.385 362 D HA 0.127 4.767 4.640 -0.000 0.000 0.260 362 D C 0.300 176.656 176.300 0.093 0.000 1.326 362 D CA 0.120 54.142 54.000 0.036 0.000 1.023 362 D CB -0.018 40.840 40.800 0.095 0.000 1.083 362 D HN 0.683 nan 8.370 nan 0.000 0.517 363 C N 5.086 124.431 119.300 0.075 0.000 2.610 363 C HA 0.338 4.798 4.460 -0.000 0.000 0.382 363 C C 1.001 176.083 174.990 0.154 0.000 1.287 363 C CA -1.009 58.074 59.018 0.108 0.000 1.640 363 C CB -2.094 25.695 27.740 0.082 0.000 2.335 363 C HN 0.695 nan 8.230 nan 0.000 0.577 364 C N 3.851 123.285 119.300 0.223 0.000 3.318 364 C HA 0.993 5.453 4.460 -0.000 0.000 0.322 364 C C -1.043 174.160 174.990 0.354 0.000 1.398 364 C CA -1.039 58.143 59.018 0.274 0.000 1.339 364 C CB 1.035 29.047 27.740 0.452 0.000 1.668 364 C HN 0.893 nan 8.230 nan 0.000 0.462 365 Y N -0.773 119.640 120.300 0.188 0.000 2.670 365 Y HA 0.843 5.393 4.550 -0.000 0.000 0.334 365 Y C -0.238 175.756 175.900 0.156 0.000 1.185 365 Y CA -0.239 57.938 58.100 0.128 0.000 1.053 365 Y CB 0.796 39.281 38.460 0.042 0.000 1.298 365 Y HN 1.065 nan 8.280 nan 0.000 0.459 366 T N -1.909 112.750 114.554 0.175 0.000 2.949 366 T HA 0.376 4.726 4.350 -0.000 0.000 0.287 366 T C -0.082 174.760 174.700 0.237 0.000 1.034 366 T CA -0.930 61.247 62.100 0.128 0.000 1.018 366 T CB 1.446 70.421 68.868 0.178 0.000 1.135 366 T HN 0.735 nan 8.240 nan 0.000 0.532 367 N N -0.114 118.720 118.700 0.224 0.000 2.463 367 N HA -0.023 4.717 4.740 -0.000 0.000 0.181 367 N C 1.301 176.941 175.510 0.216 0.000 1.078 367 N CA 0.680 53.851 53.050 0.203 0.000 0.902 367 N CB -0.244 38.313 38.487 0.116 0.000 0.970 367 N HN 0.905 nan 8.380 nan 0.000 0.451 368 H N -1.827 117.266 119.070 0.039 0.000 2.551 368 H HA 0.570 5.126 4.556 -0.000 0.000 0.271 368 H C 0.570 175.918 175.328 0.034 0.000 0.984 368 H CA -0.480 55.584 56.048 0.028 0.000 1.164 368 H CB 0.349 30.117 29.762 0.009 0.000 1.437 368 H HN -0.029 nan 8.280 nan 0.000 0.550 369 A N 1.012 123.757 122.820 -0.125 0.000 2.279 369 A HA 0.150 4.470 4.320 -0.000 0.000 0.303 369 A C -0.398 177.096 177.584 -0.149 0.000 1.108 369 A CA -0.534 51.409 52.037 -0.157 0.000 0.830 369 A CB 0.514 19.447 19.000 -0.112 0.000 1.106 369 A HN 0.424 nan 8.150 nan 0.000 0.493 370 D N 0.567 120.760 120.400 -0.345 0.000 2.551 370 D HA 0.499 5.139 4.640 -0.000 0.000 0.223 370 D C -0.168 175.941 176.300 -0.318 0.000 1.144 370 D CA 1.082 54.840 54.000 -0.402 0.000 1.025 370 D CB -0.424 39.879 40.800 -0.828 0.000 1.085 370 D HN 0.786 nan 8.370 nan 0.000 0.506 371 A N 2.641 125.312 122.820 -0.249 0.000 2.605 371 A HA 0.596 4.916 4.320 -0.000 0.000 0.294 371 A C -1.364 175.885 177.584 -0.558 0.000 1.062 371 A CA -0.901 50.917 52.037 -0.365 0.000 0.682 371 A CB 1.391 20.207 19.000 -0.306 0.000 1.278 371 A HN 0.414 nan 8.150 nan 0.000 0.410 372 D N -0.337 119.604 120.400 -0.765 0.000 2.798 372 D HA 0.452 5.092 4.640 -0.000 0.000 0.308 372 D C 0.562 176.376 176.300 -0.810 0.000 1.187 372 D CA -0.415 53.113 54.000 -0.786 0.000 1.033 372 D CB 0.424 41.051 40.800 -0.288 0.000 1.445 372 D HN 0.253 nan 8.370 nan 0.000 0.550 373 Q N -0.724 118.925 119.800 -0.251 0.000 2.297 373 Q HA 0.050 4.390 4.340 -0.000 0.000 0.204 373 Q C 1.046 177.016 176.000 -0.050 0.000 0.962 373 Q CA 1.397 57.207 55.803 0.011 0.000 0.879 373 Q CB -0.304 28.485 28.738 0.085 0.000 0.947 373 Q HN 0.391 nan 8.270 nan 0.000 0.462 374 N N -0.146 118.492 118.700 -0.103 0.000 2.244 374 N HA -0.139 4.601 4.740 -0.000 0.000 0.183 374 N C 1.535 176.996 175.510 -0.082 0.000 1.016 374 N CA 1.002 54.004 53.050 -0.079 0.000 0.866 374 N CB -0.228 38.211 38.487 -0.079 0.000 0.980 374 N HN 0.342 nan 8.380 nan 0.000 0.430 375 L N 1.341 122.481 121.223 -0.138 0.000 2.017 375 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 375 L C 1.566 178.419 176.870 -0.029 0.000 1.073 375 L CA 1.751 56.528 54.840 -0.106 0.000 0.745 375 L CB -0.805 41.147 42.059 -0.179 0.000 0.894 375 L HN -0.049 nan 8.230 nan 0.000 0.432 376 N N 0.333 119.040 118.700 0.012 0.000 2.104 376 N HA -0.200 4.540 4.740 -0.000 0.000 0.190 376 N C 1.809 177.344 175.510 0.043 0.000 1.024 376 N CA 1.857 54.957 53.050 0.083 0.000 0.853 376 N CB -0.202 38.380 38.487 0.158 0.000 1.008 376 N HN 0.597 nan 8.380 nan 0.000 0.424 377 E N -0.031 120.179 120.200 0.017 0.000 2.107 377 E HA -0.027 4.323 4.350 -0.000 0.000 0.191 377 E C 1.400 177.998 176.600 -0.003 0.000 0.982 377 E CA 0.438 56.841 56.400 0.005 0.000 0.809 377 E CB -0.005 29.692 29.700 -0.006 0.000 0.756 377 E HN 0.309 nan 8.360 nan 0.000 0.459 378 N N 0.970 119.664 118.700 -0.010 0.000 2.036 378 N HA -0.178 4.562 4.740 -0.000 0.000 0.195 378 N C 1.763 177.274 175.510 0.001 0.000 1.037 378 N CA 0.897 53.941 53.050 -0.009 0.000 0.855 378 N CB -0.314 38.163 38.487 -0.016 0.000 1.033 378 N HN 0.102 nan 8.380 nan 0.000 0.423 379 L N 1.300 122.531 121.223 0.013 0.000 2.131 379 L HA 0.079 4.419 4.340 -0.000 0.000 0.206 379 L C 2.173 179.057 176.870 0.023 0.000 1.087 379 L CA 1.210 56.065 54.840 0.025 0.000 0.767 379 L CB -0.721 41.364 42.059 0.042 0.000 0.917 379 L HN 0.248 nan 8.230 nan 0.000 0.441 380 M N -1.640 117.977 119.600 0.028 0.000 2.213 380 M HA -0.195 4.285 4.480 -0.000 0.000 0.263 380 M C 1.985 178.279 176.300 -0.010 0.000 1.062 380 M CA 2.105 57.428 55.300 0.038 0.000 1.105 380 M CB -0.661 31.973 32.600 0.057 0.000 1.385 380 M HN 0.286 nan 8.290 nan 0.000 0.417 381 I N 0.727 121.280 120.570 -0.030 0.000 2.400 381 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 381 I C 2.405 178.498 176.117 -0.040 0.000 1.109 381 I CA 0.707 61.970 61.300 -0.062 0.000 1.425 381 I CB -0.312 37.659 38.000 -0.048 0.000 1.094 381 I HN 0.299 nan 8.210 nan 0.000 0.425 382 L N 0.288 121.504 121.223 -0.011 0.000 2.012 382 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 382 L C 2.497 179.373 176.870 0.009 0.000 1.073 382 L CA 1.543 56.388 54.840 0.008 0.000 0.748 382 L CB -0.503 41.569 42.059 0.021 0.000 0.891 382 L HN 0.274 nan 8.230 nan 0.000 0.431 383 L N -0.908 120.310 121.223 -0.008 0.000 2.156 383 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 383 L C 2.820 179.660 176.870 -0.050 0.000 1.095 383 L CA 0.841 55.646 54.840 -0.059 0.000 0.770 383 L CB -0.566 41.437 42.059 -0.093 0.000 0.914 383 L HN 0.237 nan 8.230 nan 0.000 0.439 384 A N 0.225 123.040 122.820 -0.008 0.000 1.902 384 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 384 A C 2.422 180.000 177.584 -0.011 0.000 1.181 384 A CA 2.286 54.310 52.037 -0.022 0.000 0.623 384 A CB -0.978 17.828 19.000 -0.324 0.000 0.818 384 A HN 0.521 nan 8.150 nan 0.000 0.443 385 T N -2.312 112.233 114.554 -0.015 0.000 2.833 385 T HA 0.088 4.438 4.350 -0.000 0.000 0.269 385 T C 1.721 176.454 174.700 0.056 0.000 1.054 385 T CA 1.462 63.574 62.100 0.019 0.000 1.135 385 T CB -0.479 68.405 68.868 0.026 0.000 0.869 385 T HN 0.603 nan 8.240 nan 0.000 0.466 386 A N 0.939 123.803 122.820 0.074 0.000 2.239 386 A HA 0.520 4.840 4.320 -0.000 0.000 0.209 386 A C 2.019 179.731 177.584 0.213 0.000 1.171 386 A CA 0.699 52.829 52.037 0.155 0.000 0.768 386 A CB -1.287 17.849 19.000 0.228 0.000 0.790 386 A HN 1.515 nan 8.150 nan 0.000 0.478 387 G N -1.566 107.311 108.800 0.129 0.000 2.160 387 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 387 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 387 G C 0.386 175.388 174.900 0.170 0.000 1.022 387 G CA 0.136 45.328 45.100 0.154 0.000 0.741 387 G HN 1.092 nan 8.290 nan 0.000 0.508 388 C N 0.378 119.644 119.300 -0.057 0.000 2.334 388 C HA 0.121 4.581 4.460 -0.000 0.000 0.395 388 C C 2.058 177.035 174.990 -0.022 0.000 1.507 388 C CA 0.704 59.575 59.018 -0.245 0.000 1.494 388 C CB -0.669 26.870 27.740 -0.335 0.000 2.509 388 C HN 0.585 nan 8.230 nan 0.000 0.599 389 N N 2.349 121.042 118.700 -0.011 0.000 2.188 389 N HA 0.070 4.810 4.740 -0.000 0.000 0.184 389 N C -0.357 175.077 175.510 -0.128 0.000 1.018 389 N CA 1.721 54.767 53.050 -0.006 0.000 0.858 389 N CB -0.072 38.463 38.487 0.080 0.000 0.989 389 N HN 0.917 nan 8.380 nan 0.000 0.426 390 Y N -1.814 118.225 120.300 -0.435 0.000 2.604 390 Y HA 0.513 5.063 4.550 -0.000 0.000 0.331 390 Y C -0.863 174.806 175.900 -0.385 0.000 1.158 390 Y CA -2.021 55.728 58.100 -0.584 0.000 1.056 390 Y CB 0.361 38.566 38.460 -0.424 0.000 1.330 390 Y HN -0.099 nan 8.280 nan 0.000 0.457 391 I N 0.031 120.393 120.570 -0.346 0.000 3.436 391 I HA 0.672 4.842 4.170 -0.000 0.000 0.296 391 I C -0.402 175.712 176.117 -0.006 0.000 1.143 391 I CA -1.564 59.642 61.300 -0.155 0.000 1.009 391 I CB 1.745 39.776 38.000 0.052 0.000 1.301 391 I HN 0.530 nan 8.210 nan 0.000 0.503 392 M N 1.363 120.978 119.600 0.025 0.000 2.283 392 M HA 0.503 4.983 4.480 -0.000 0.000 0.314 392 M C 0.085 176.415 176.300 0.049 0.000 1.153 392 M CA -0.292 55.043 55.300 0.057 0.000 1.084 392 M CB 0.637 33.266 32.600 0.049 0.000 1.468 392 M HN 0.834 nan 8.290 nan 0.000 0.474 393 G N 1.972 110.812 108.800 0.066 0.000 2.609 393 G HA2 0.734 4.694 3.960 -0.000 0.000 0.308 393 G HA3 0.734 4.694 3.960 -0.000 0.000 0.308 393 G C -1.001 173.696 174.900 -0.339 0.000 1.369 393 G CA -0.583 44.511 45.100 -0.010 0.000 0.958 393 G HN 0.617 nan 8.290 nan 0.000 0.499 394 M N 1.647 120.763 119.600 -0.807 0.000 2.658 394 M HA 0.367 4.847 4.480 -0.000 0.000 0.295 394 M C -2.674 172.842 176.300 -1.307 0.000 1.248 394 M CA -2.018 52.698 55.300 -0.974 0.000 0.843 394 M CB 3.258 35.605 32.600 -0.422 0.000 1.749 394 M HN 0.145 nan 8.290 nan 0.000 0.464 395 P HA 0.152 nan 4.420 nan 0.000 0.264 395 P C -0.032 177.132 177.300 -0.227 0.000 1.236 395 P CA 0.446 63.341 63.100 -0.342 0.000 0.811 395 P CB -0.092 31.610 31.700 0.004 0.000 0.840 396 L N 2.247 123.365 121.223 -0.175 0.000 4.555 396 L HA -0.350 3.990 4.340 -0.000 0.000 0.431 396 L C 1.362 178.125 176.870 -0.178 0.000 1.136 396 L CA 0.861 55.627 54.840 -0.122 0.000 0.972 396 L CB -2.374 39.640 42.059 -0.075 0.000 1.999 396 L HN 0.731 nan 8.230 nan 0.000 0.900 397 G N -0.836 107.797 108.800 -0.280 0.000 2.159 397 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.256 397 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.256 397 G C -0.001 174.715 174.900 -0.307 0.000 0.977 397 G CA 0.374 45.299 45.100 -0.291 0.000 0.652 397 G HN 0.504 nan 8.290 nan 0.000 0.531 398 D N 1.212 121.469 120.400 -0.238 0.000 2.365 398 D HA 0.404 5.044 4.640 -0.000 0.000 0.237 398 D C -0.403 175.788 176.300 -0.181 0.000 1.190 398 D CA -0.399 53.482 54.000 -0.198 0.000 0.867 398 D CB 0.552 41.281 40.800 -0.118 0.000 1.050 398 D HN 0.117 nan 8.370 nan 0.000 0.491 399 D N 3.400 123.674 120.400 -0.210 0.000 2.325 399 D HA 0.062 4.702 4.640 -0.000 0.000 0.251 399 D C 1.211 177.501 176.300 -0.017 0.000 1.196 399 D CA -0.398 53.551 54.000 -0.084 0.000 0.866 399 D CB 0.751 41.554 40.800 0.005 0.000 1.101 399 D HN 0.536 nan 8.370 nan 0.000 0.476 400 I N 1.277 121.847 120.570 -0.001 0.000 3.749 400 I HA 0.129 4.299 4.170 -0.000 0.000 0.314 400 I C 1.136 177.264 176.117 0.019 0.000 1.278 400 I CA 0.053 61.355 61.300 0.003 0.000 1.158 400 I CB 0.103 38.106 38.000 0.004 0.000 1.018 400 I HN 0.294 nan 8.210 nan 0.000 0.435 401 M N -0.011 119.614 119.600 0.040 0.000 1.567 401 M HA 0.169 4.649 4.480 -0.000 0.000 0.196 401 M C 0.367 176.706 176.300 0.066 0.000 1.065 401 M CA 0.578 55.905 55.300 0.046 0.000 0.841 401 M CB 0.187 32.815 32.600 0.047 0.000 1.701 401 M HN 0.279 nan 8.290 nan 0.000 0.636 402 L N 1.673 122.974 121.223 0.129 0.000 2.567 402 L HA 0.150 4.490 4.340 -0.000 0.000 0.225 402 L C -0.318 176.628 176.870 0.127 0.000 1.119 402 L CA 0.133 55.066 54.840 0.155 0.000 0.871 402 L CB -0.157 42.084 42.059 0.304 0.000 1.036 402 L HN 0.444 nan 8.230 nan 0.000 0.459 403 N N 0.250 119.030 118.700 0.133 0.000 2.746 403 N HA -0.232 4.508 4.740 -0.000 0.000 0.250 403 N C -0.871 174.706 175.510 0.111 0.000 1.055 403 N CA 1.186 54.271 53.050 0.059 0.000 0.699 403 N CB -1.592 36.885 38.487 -0.016 0.000 0.919 403 N HN 0.573 nan 8.380 nan 0.000 0.548 404 Y N -2.528 117.695 120.300 -0.127 0.000 2.744 404 Y HA 0.729 5.279 4.550 -0.000 0.000 0.330 404 Y C -1.023 174.737 175.900 -0.233 0.000 1.263 404 Y CA -1.386 56.598 58.100 -0.193 0.000 1.065 404 Y CB 0.677 39.034 38.460 -0.173 0.000 1.306 404 Y HN -0.050 nan 8.280 nan 0.000 0.459 405 Q N 1.291 120.675 119.800 -0.694 0.000 2.341 405 Q HA 0.559 4.899 4.340 -0.000 0.000 0.268 405 Q C -0.228 175.338 176.000 -0.725 0.000 1.013 405 Q CA -0.486 54.852 55.803 -0.775 0.000 0.798 405 Q CB 2.128 30.421 28.738 -0.741 0.000 1.253 405 Q HN 0.896 nan 8.270 nan 0.000 0.457 406 T N 0.231 114.383 114.554 -0.670 0.000 2.849 406 T HA 0.547 4.897 4.350 -0.000 0.000 0.272 406 T C -0.145 174.448 174.700 -0.180 0.000 1.046 406 T CA -0.336 61.561 62.100 -0.338 0.000 0.983 406 T CB 0.526 69.213 68.868 -0.301 0.000 1.721 406 T HN 0.688 nan 8.240 nan 0.000 0.594 407 T N 0.839 115.332 114.554 -0.102 0.000 2.910 407 T HA 0.704 5.054 4.350 -0.000 0.000 0.293 407 T C 0.253 174.869 174.700 -0.141 0.000 1.015 407 T CA -0.713 61.349 62.100 -0.063 0.000 1.094 407 T CB 0.784 69.659 68.868 0.013 0.000 0.968 407 T HN 0.796 nan 8.240 nan 0.000 0.521 408 A N 1.552 124.304 122.820 -0.114 0.000 2.366 408 A HA 0.543 4.863 4.320 -0.000 0.000 0.249 408 A C 1.009 178.502 177.584 -0.153 0.000 1.084 408 A CA -0.791 51.139 52.037 -0.178 0.000 0.794 408 A CB -0.381 18.599 19.000 -0.034 0.000 1.034 408 A HN 0.906 nan 8.150 nan 0.000 0.491 409 F N -0.141 119.696 119.950 -0.189 0.000 2.115 409 F HA -0.305 4.222 4.527 -0.000 0.000 0.300 409 F C 2.191 177.717 175.800 -0.456 0.000 1.092 409 F CA 2.240 60.029 58.000 -0.352 0.000 1.245 409 F CB -0.604 38.016 39.000 -0.632 0.000 0.995 409 F HN 0.800 nan 8.300 nan 0.000 0.481 410 H N -0.271 118.546 119.070 -0.422 0.000 2.357 410 H HA -0.211 4.345 4.556 -0.000 0.000 0.296 410 H C 1.757 177.098 175.328 0.021 0.000 1.108 410 H CA 1.918 57.861 56.048 -0.175 0.000 1.273 410 H CB -0.469 29.214 29.762 -0.132 0.000 1.367 410 H HN 0.189 nan 8.280 nan 0.000 0.498 411 D N -0.732 119.743 120.400 0.126 0.000 2.183 411 D HA -0.082 4.558 4.640 -0.000 0.000 0.203 411 D C 2.050 178.427 176.300 0.129 0.000 0.969 411 D CA 1.249 55.311 54.000 0.104 0.000 0.842 411 D CB -0.320 40.522 40.800 0.070 0.000 0.957 411 D HN 0.372 nan 8.370 nan 0.000 0.484 412 T N 0.636 115.310 114.554 0.199 0.000 2.737 412 T HA -0.066 4.284 4.350 -0.000 0.000 0.265 412 T C 2.029 176.864 174.700 0.226 0.000 1.038 412 T CA 1.347 63.624 62.100 0.296 0.000 1.144 412 T CB -0.187 68.890 68.868 0.348 0.000 0.866 412 T HN 0.161 nan 8.240 nan 0.000 0.434 413 A N 1.260 124.222 122.820 0.237 0.000 1.908 413 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 413 A C 2.521 180.191 177.584 0.143 0.000 1.181 413 A CA 2.213 54.382 52.037 0.221 0.000 0.627 413 A CB -1.267 17.923 19.000 0.316 0.000 0.818 413 A HN 0.487 nan 8.150 nan 0.000 0.445 414 T N -0.491 114.138 114.554 0.125 0.000 2.674 414 T HA -0.124 4.226 4.350 -0.000 0.000 0.265 414 T C 1.886 176.582 174.700 -0.007 0.000 1.039 414 T CA 1.547 63.688 62.100 0.068 0.000 1.150 414 T CB -0.545 68.363 68.868 0.065 0.000 0.864 414 T HN 0.135 nan 8.240 nan 0.000 0.427 415 V N 1.487 121.357 119.914 -0.074 0.000 2.287 415 V HA -0.233 3.886 4.120 -0.000 0.000 0.248 415 V C 2.684 178.652 176.094 -0.210 0.000 1.053 415 V CA 1.796 63.951 62.300 -0.242 0.000 1.027 415 V CB -0.544 30.927 31.823 -0.586 0.000 0.646 415 V HN 0.387 nan 8.190 nan 0.000 0.447 416 R N -0.685 119.750 120.500 -0.108 0.000 2.081 416 R HA -0.188 4.152 4.340 -0.000 0.000 0.235 416 R C 2.356 178.659 176.300 0.005 0.000 1.131 416 R CA 1.738 57.830 56.100 -0.013 0.000 0.960 416 R CB -0.260 30.102 30.300 0.103 0.000 0.856 416 R HN 0.604 nan 8.270 nan 0.000 0.436 417 Q N -0.049 119.762 119.800 0.018 0.000 2.269 417 Q HA -0.045 4.295 4.340 -0.000 0.000 0.201 417 Q C 2.002 178.005 176.000 0.006 0.000 0.946 417 Q CA 0.476 56.293 55.803 0.024 0.000 0.877 417 Q CB 0.095 28.859 28.738 0.042 0.000 0.963 417 Q HN 0.167 nan 8.270 nan 0.000 0.472 418 L N 0.168 121.383 121.223 -0.013 0.000 2.046 418 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 418 L C 1.472 178.326 176.870 -0.027 0.000 1.077 418 L CA 1.755 56.582 54.840 -0.022 0.000 0.747 418 L CB 0.079 42.115 42.059 -0.038 0.000 0.896 418 L HN 0.168 nan 8.230 nan 0.000 0.432 419 L N -0.790 120.406 121.223 -0.045 0.000 2.728 419 L HA 0.208 4.548 4.340 -0.000 0.000 0.238 419 L C 0.476 177.337 176.870 -0.015 0.000 1.143 419 L CA -0.014 54.802 54.840 -0.041 0.000 0.937 419 L CB -0.122 41.888 42.059 -0.082 0.000 1.225 419 L HN 0.384 nan 8.230 nan 0.000 0.507 420 N N 1.365 120.063 118.700 -0.002 0.000 2.738 420 N HA -0.190 4.550 4.740 -0.000 0.000 0.249 420 N C -0.844 174.684 175.510 0.030 0.000 1.047 420 N CA 0.626 53.686 53.050 0.017 0.000 0.707 420 N CB -1.238 37.260 38.487 0.018 0.000 0.937 420 N HN 0.283 nan 8.380 nan 0.000 0.545 421 L N 0.128 121.371 121.223 0.034 0.000 2.331 421 L HA 0.612 4.951 4.340 -0.000 0.000 0.275 421 L C 0.929 177.863 176.870 0.107 0.000 1.022 421 L CA -1.000 53.884 54.840 0.073 0.000 0.812 421 L CB 1.394 43.501 42.059 0.080 0.000 1.257 421 L HN -0.036 nan 8.230 nan 0.000 0.435 422 R N 1.292 121.867 120.500 0.126 0.000 2.674 422 R HA 0.557 4.897 4.340 -0.000 0.000 0.266 422 R C -2.430 173.977 176.300 0.179 0.000 1.016 422 R CA -2.432 53.751 56.100 0.138 0.000 1.062 422 R CB 0.582 30.948 30.300 0.111 0.000 1.142 422 R HN 0.236 nan 8.270 nan 0.000 0.517 423 P HA 0.052 nan 4.420 nan 0.000 0.272 423 P C -0.421 176.979 177.300 0.167 0.000 1.254 423 P CA -0.197 63.029 63.100 0.210 0.000 0.795 423 P CB 0.299 32.200 31.700 0.336 0.000 1.022 424 S N 2.698 118.476 115.700 0.130 0.000 2.810 424 S HA -0.050 4.420 4.470 -0.000 0.000 0.329 424 S C -1.142 173.566 174.600 0.180 0.000 1.231 424 S CA -0.244 58.034 58.200 0.130 0.000 1.042 424 S CB -0.662 62.600 63.200 0.104 0.000 0.756 424 S HN 0.454 nan 8.310 nan 0.000 0.504 425 P HA -0.123 nan 4.420 nan 0.000 0.218 425 P C 0.820 178.201 177.300 0.136 0.000 1.148 425 P CA 1.132 64.306 63.100 0.122 0.000 0.822 425 P CB 0.205 31.958 31.700 0.089 0.000 0.784 426 E N -0.686 119.601 120.200 0.145 0.000 2.047 426 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 426 E C 1.898 178.625 176.600 0.212 0.000 0.987 426 E CA 0.903 57.390 56.400 0.145 0.000 0.799 426 E CB -1.113 28.654 29.700 0.112 0.000 0.752 426 E HN 0.204 nan 8.360 nan 0.000 0.449 427 F N 1.579 121.586 119.950 0.094 0.000 2.186 427 F HA -0.146 4.381 4.527 -0.000 0.000 0.299 427 F C 2.317 178.258 175.800 0.235 0.000 1.090 427 F CA 1.482 59.572 58.000 0.149 0.000 1.307 427 F CB 0.188 39.241 39.000 0.087 0.000 1.019 427 F HN 0.003 nan 8.300 nan 0.000 0.489 428 E N 0.176 120.554 120.200 0.297 0.000 2.077 428 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 428 E C 2.412 179.063 176.600 0.086 0.000 0.989 428 E CA 1.193 57.700 56.400 0.178 0.000 0.800 428 E CB -0.152 29.644 29.700 0.161 0.000 0.746 428 E HN 0.367 nan 8.360 nan 0.000 0.452 429 R N -0.487 120.072 120.500 0.099 0.000 2.091 429 R HA -0.195 4.145 4.340 -0.000 0.000 0.238 429 R C 2.061 178.391 176.300 0.050 0.000 1.136 429 R CA 1.915 58.054 56.100 0.066 0.000 0.959 429 R CB -0.483 29.866 30.300 0.082 0.000 0.856 429 R HN 0.393 nan 8.270 nan 0.000 0.437 430 W N 1.084 122.306 121.300 -0.129 0.000 2.355 430 W HA -0.153 4.507 4.660 -0.000 0.000 0.309 430 W C 1.533 177.917 176.519 -0.225 0.000 1.206 430 W CA 1.281 58.514 57.345 -0.187 0.000 1.284 430 W CB -0.366 28.924 29.460 -0.284 0.000 1.145 430 W HN -0.007 nan 8.180 nan 0.000 0.502 431 L N 0.476 121.538 121.223 -0.268 0.000 2.042 431 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 431 L C 2.406 179.068 176.870 -0.348 0.000 1.076 431 L CA 1.908 56.501 54.840 -0.411 0.000 0.749 431 L CB -0.888 41.087 42.059 -0.139 0.000 0.893 431 L HN 0.049 nan 8.230 nan 0.000 0.432 432 E N -0.425 119.652 120.200 -0.204 0.000 2.077 432 E HA -0.167 4.182 4.350 -0.000 0.000 0.193 432 E C 2.277 178.753 176.600 -0.208 0.000 0.989 432 E CA 1.463 57.766 56.400 -0.161 0.000 0.800 432 E CB -0.002 29.649 29.700 -0.082 0.000 0.746 432 E HN 0.375 nan 8.360 nan 0.000 0.452 433 S N 0.377 115.930 115.700 -0.246 0.000 2.402 433 S HA -0.058 4.412 4.470 -0.000 0.000 0.229 433 S C 1.727 176.125 174.600 -0.337 0.000 1.021 433 S CA 0.771 58.827 58.200 -0.239 0.000 0.974 433 S CB 0.050 63.138 63.200 -0.187 0.000 0.800 433 S HN 0.220 nan 8.310 nan 0.000 0.484 434 M N 0.179 119.451 119.600 -0.546 0.000 2.558 434 M HA 0.175 4.655 4.480 -0.000 0.000 0.255 434 M C 1.691 177.720 176.300 -0.452 0.000 1.113 434 M CA 0.719 55.653 55.300 -0.609 0.000 1.097 434 M CB -1.322 30.665 32.600 -1.021 0.000 1.426 434 M HN 0.486 nan 8.290 nan 0.000 0.488 435 G N 0.880 109.469 108.800 -0.352 0.000 2.147 435 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.244 435 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.244 435 G C 0.813 175.553 174.900 -0.268 0.000 1.005 435 G CA 0.373 45.315 45.100 -0.263 0.000 0.713 435 G HN 0.498 nan 8.290 nan 0.000 0.515 436 I N -0.859 119.523 120.570 -0.312 0.000 2.703 436 I HA 0.351 4.521 4.170 -0.000 0.000 0.259 436 I C 1.394 177.415 176.117 -0.161 0.000 1.151 436 I CA 0.795 61.939 61.300 -0.260 0.000 1.470 436 I CB 0.163 37.990 38.000 -0.288 0.000 1.112 436 I HN 0.376 nan 8.210 nan 0.000 0.437 437 M N 0.893 120.409 119.600 -0.140 0.000 2.395 437 M HA 0.668 5.148 4.480 -0.000 0.000 0.307 437 M C -1.644 174.617 176.300 -0.066 0.000 1.091 437 M CA -0.531 54.727 55.300 -0.070 0.000 0.919 437 M CB 2.220 34.807 32.600 -0.022 0.000 1.662 437 M HN -0.049 nan 8.290 nan 0.000 0.440 438 A N 3.773 126.568 122.820 -0.042 0.000 2.359 438 A HA 0.579 4.899 4.320 -0.000 0.000 0.303 438 A C -0.330 177.249 177.584 -0.009 0.000 1.066 438 A CA -0.595 51.423 52.037 -0.032 0.000 0.730 438 A CB 0.358 19.334 19.000 -0.040 0.000 1.211 438 A HN 1.089 nan 8.150 nan 0.000 0.439 439 N N 1.392 120.091 118.700 -0.000 0.000 2.727 439 N HA -0.216 4.524 4.740 -0.000 0.000 0.249 439 N C 0.953 176.478 175.510 0.024 0.000 1.048 439 N CA 1.722 54.779 53.050 0.012 0.000 0.714 439 N CB -0.865 37.626 38.487 0.007 0.000 0.959 439 N HN 2.135 nan 8.380 nan 0.000 0.544 440 G N -1.252 107.569 108.800 0.035 0.000 2.199 440 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.254 440 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.254 440 G C 0.073 175.006 174.900 0.054 0.000 0.982 440 G CA 0.523 45.656 45.100 0.055 0.000 0.632 440 G HN 0.511 nan 8.290 nan 0.000 0.529 441 R N -0.164 120.355 120.500 0.033 0.000 2.562 441 R HA 0.626 4.966 4.340 -0.000 0.000 0.298 441 R C 0.567 176.873 176.300 0.011 0.000 0.961 441 R CA -0.993 55.124 56.100 0.028 0.000 0.881 441 R CB 1.418 31.729 30.300 0.018 0.000 1.159 441 R HN 0.168 nan 8.270 nan 0.000 0.450 442 L N 3.178 124.410 121.223 0.014 0.000 2.601 442 L HA -0.019 4.321 4.340 -0.000 0.000 0.277 442 L C 1.233 178.074 176.870 -0.049 0.000 1.219 442 L CA 0.351 55.174 54.840 -0.028 0.000 0.915 442 L CB -0.061 41.978 42.059 -0.034 0.000 1.160 442 L HN 0.806 nan 8.230 nan 0.000 0.494 443 T N 0.103 114.609 114.554 -0.080 0.000 2.698 443 T HA 0.086 4.436 4.350 -0.000 0.000 0.295 443 T C 1.127 175.773 174.700 -0.089 0.000 1.007 443 T CA -0.526 61.524 62.100 -0.083 0.000 0.980 443 T CB 0.977 69.782 68.868 -0.106 0.000 1.036 443 T HN 0.548 nan 8.240 nan 0.000 0.526 444 K N 0.324 120.678 120.400 -0.078 0.000 2.063 444 K HA -0.119 4.201 4.320 -0.000 0.000 0.208 444 K C 2.347 178.890 176.600 -0.095 0.000 1.048 444 K CA 1.579 57.823 56.287 -0.071 0.000 0.928 444 K CB -0.133 32.333 32.500 -0.057 0.000 0.713 444 K HN 0.635 nan 8.250 nan 0.000 0.442 445 R N 0.089 120.517 120.500 -0.119 0.000 2.359 445 R HA 0.297 4.637 4.340 -0.000 0.000 0.231 445 R C 0.288 176.473 176.300 -0.191 0.000 0.913 445 R CA -0.103 55.913 56.100 -0.140 0.000 1.075 445 R CB 0.235 30.452 30.300 -0.139 0.000 1.087 445 R HN -0.072 nan 8.270 nan 0.000 0.515 446 A N 0.833 123.527 122.820 -0.209 0.000 2.327 446 A HA 0.480 4.800 4.320 -0.000 0.000 0.255 446 A C 1.248 178.597 177.584 -0.392 0.000 1.099 446 A CA 0.405 52.271 52.037 -0.284 0.000 0.801 446 A CB -0.186 18.660 19.000 -0.256 0.000 1.062 446 A HN 0.532 nan 8.150 nan 0.000 0.496 447 G N -0.559 107.843 108.800 -0.664 0.000 2.148 447 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.254 447 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.254 447 G C -0.246 174.434 174.900 -0.367 0.000 0.981 447 G CA 0.761 45.228 45.100 -1.055 0.000 0.670 447 G HN 1.237 nan 8.290 nan 0.000 0.528 448 D N -0.482 119.797 120.400 -0.202 0.000 2.402 448 D HA 0.501 5.141 4.640 -0.000 0.000 0.252 448 D C -0.799 175.525 176.300 0.041 0.000 1.294 448 D CA -1.793 52.176 54.000 -0.052 0.000 0.948 448 D CB 1.637 42.390 40.800 -0.078 0.000 1.202 448 D HN 0.015 nan 8.370 nan 0.000 0.561 449 P HA -0.036 nan 4.420 nan 0.000 0.230 449 P C 0.943 178.437 177.300 0.322 0.000 1.158 449 P CA 0.331 63.629 63.100 0.329 0.000 0.769 449 P CB 0.460 32.334 31.700 0.289 0.000 0.807 450 S N -0.440 115.345 115.700 0.142 0.000 2.522 450 S HA 0.007 4.476 4.470 -0.000 0.000 0.227 450 S C 1.652 176.311 174.600 0.097 0.000 0.986 450 S CA 0.003 58.269 58.200 0.110 0.000 0.929 450 S CB -1.001 62.203 63.200 0.007 0.000 0.769 450 S HN 0.113 nan 8.310 nan 0.000 0.529 451 L N 0.286 121.487 121.223 -0.037 0.000 2.127 451 L HA -0.087 4.253 4.340 -0.000 0.000 0.211 451 L C 1.229 177.908 176.870 -0.319 0.000 1.089 451 L CA 1.598 56.283 54.840 -0.259 0.000 0.757 451 L CB -0.233 41.525 42.059 -0.501 0.000 0.899 451 L HN 0.285 nan 8.230 nan 0.000 0.434 452 F N -1.740 118.153 119.950 -0.095 0.000 2.811 452 F HA 0.138 4.665 4.527 -0.000 0.000 0.301 452 F C 0.705 176.369 175.800 -0.226 0.000 1.151 452 F CA -0.054 57.782 58.000 -0.274 0.000 1.412 452 F CB -0.101 38.538 39.000 -0.601 0.000 1.113 452 F HN -0.089 nan 8.300 nan 0.000 0.579 453 F N 0.000 119.965 119.950 0.025 0.000 2.286 453 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 453 F CA 0.000 58.011 58.000 0.018 0.000 1.383 453 F CB 0.000 38.978 39.000 -0.037 0.000 1.145 453 F HN 0.000 nan 8.300 nan 0.000 0.574