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 1t1e_1_A DATA FIRST_RESID 12 DATA SEQUENCE EKREVLAGHA RRQAPQAVDK GPVTGDQRIS VTVVLRRQRG DELEAHVERQ DATA SEQUENCE AALAPHARVH LEREAFAASH GASLDDFAEI RKFAEAHGLT LDRAHVAAGT DATA SEQUENCE AVLSGPVDAV NQAFGVELRH FDHPDGSYRS YVGDVRVPAS IAPLIEAVLG DATA SEQUENCE LDTRPVARPH FRLRRRAEGE FEARSQSAAX PTAYTPLDVA QAYQFPEGLD DATA SEQUENCE GQGQCIAIIE LGGGYDETSL AQYFASLGVS APQVVSVSVD GATNQPTGDP DATA SEQUENCE NGPDGEVELD IEVAGALAPG AKIAVYFAPN TDAGFLNAIT TAVHDPTHKP DATA SEQUENCE SIVSISWGGP EDSWAPASIA AMNRAFLDAA ALGVTVLAAA GDSGSTDGEQ DATA SEQUENCE DGLYHVDFPA ASPYVLACGG TRLVASAGRI ERETVWNDGP DGGSTGGGVS DATA SEQUENCE RIFPLPSWQE RANVPPSANP GAGSGRGVPD VAGNADPATG YEVVIDGETT DATA SEQUENCE VIGGTAAVAP LFAALVARIN QKLGKPVGYL NPTLYQLPPE VFHDITEGNN DATA SEQUENCE DIANRARIYQ AGPGWDPCTG LGSPIGIRLL QALLP 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 12 E HA 0.000 nan 4.350 nan 0.000 0.291 12 E C 0.000 176.612 176.600 0.020 0.000 1.382 12 E CA 0.000 56.414 56.400 0.023 0.000 0.976 12 E CB 0.000 29.713 29.700 0.022 0.000 0.812 13 K N 1.373 121.780 120.400 0.010 0.000 2.469 13 K HA 0.181 4.501 4.320 0.000 0.000 0.274 13 K C -0.083 176.517 176.600 0.000 0.000 0.983 13 K CA 0.145 56.435 56.287 0.005 0.000 0.974 13 K CB 0.475 32.974 32.500 -0.000 0.000 0.913 13 K HN 0.227 nan 8.250 nan 0.000 0.493 14 R N 2.129 122.627 120.500 -0.003 0.000 2.720 14 R HA 0.327 4.667 4.340 0.000 0.000 0.272 14 R C -0.375 175.913 176.300 -0.019 0.000 0.991 14 R CA -0.601 55.491 56.100 -0.013 0.000 1.010 14 R CB 1.552 31.847 30.300 -0.008 0.000 1.141 14 R HN 0.681 nan 8.270 nan 0.000 0.494 15 E N 0.784 120.964 120.200 -0.033 0.000 2.292 15 E HA 0.241 4.591 4.350 0.000 0.000 0.272 15 E C -0.874 175.707 176.600 -0.032 0.000 0.881 15 E CA -0.836 55.546 56.400 -0.029 0.000 0.754 15 E CB 2.915 32.593 29.700 -0.036 0.000 1.201 15 E HN 0.126 nan 8.360 nan 0.000 0.425 16 V N 3.495 123.400 119.914 -0.014 0.000 2.637 16 V HA 0.075 4.195 4.120 0.000 0.000 0.296 16 V C 0.162 176.253 176.094 -0.005 0.000 1.046 16 V CA 0.025 62.322 62.300 -0.005 0.000 1.066 16 V CB 0.335 32.170 31.823 0.020 0.000 0.968 16 V HN 0.496 nan 8.190 nan 0.000 0.483 17 L N 5.036 126.246 121.223 -0.021 0.000 2.257 17 L HA 0.515 4.856 4.340 0.000 0.000 0.290 17 L C 0.795 177.770 176.870 0.176 0.000 1.044 17 L CA -0.342 54.503 54.840 0.010 0.000 0.810 17 L CB 1.147 43.110 42.059 -0.160 0.000 1.193 17 L HN 0.795 nan 8.230 nan 0.000 0.425 18 A N 2.634 125.538 122.820 0.139 0.000 2.520 18 A HA 0.401 4.721 4.320 0.000 0.000 0.235 18 A C 1.270 178.949 177.584 0.158 0.000 1.065 18 A CA 0.739 52.852 52.037 0.126 0.000 0.764 18 A CB -0.018 19.016 19.000 0.057 0.000 1.002 18 A HN 1.158 nan 8.150 nan 0.000 0.502 19 G N 0.744 109.586 108.800 0.070 0.000 2.143 19 G HA2 -0.231 3.729 3.960 0.000 0.000 0.249 19 G HA3 -0.231 3.729 3.960 0.000 0.000 0.249 19 G C 0.217 175.021 174.900 -0.160 0.000 0.981 19 G CA 1.027 46.090 45.100 -0.062 0.000 0.665 19 G HN 1.144 nan 8.290 nan 0.000 0.528 20 H N -0.074 119.036 119.070 0.068 0.000 2.755 20 H HA 0.626 5.182 4.556 0.000 0.000 0.273 20 H C 1.581 177.029 175.328 0.200 0.000 1.055 20 H CA 0.389 56.519 56.048 0.137 0.000 1.191 20 H CB 0.655 30.489 29.762 0.119 0.000 1.536 20 H HN 0.690 nan 8.280 nan 0.000 0.529 21 A N 1.612 124.557 122.820 0.208 0.000 2.488 21 A HA 0.404 4.724 4.320 0.000 0.000 0.249 21 A C 0.164 177.804 177.584 0.094 0.000 1.083 21 A CA 0.082 52.221 52.037 0.169 0.000 0.768 21 A CB 0.125 19.185 19.000 0.099 0.000 1.017 21 A HN 0.426 nan 8.150 nan 0.000 0.496 22 R N 1.792 122.330 120.500 0.062 0.000 2.574 22 R HA 0.455 4.795 4.340 0.000 0.000 0.288 22 R C -0.787 175.476 176.300 -0.061 0.000 1.004 22 R CA -1.004 55.044 56.100 -0.086 0.000 0.895 22 R CB 1.852 31.937 30.300 -0.358 0.000 1.191 22 R HN 0.701 nan 8.270 nan 0.000 0.444 23 R N 1.285 121.747 120.500 -0.064 0.000 2.691 23 R HA 0.243 4.583 4.340 0.000 0.000 0.259 23 R C -0.171 176.073 176.300 -0.092 0.000 1.048 23 R CA -1.060 55.017 56.100 -0.039 0.000 1.086 23 R CB 0.603 30.892 30.300 -0.018 0.000 1.166 23 R HN 0.573 nan 8.270 nan 0.000 0.526 24 Q N 0.461 120.222 119.800 -0.065 0.000 2.330 24 Q HA 0.279 4.620 4.340 0.000 0.000 0.279 24 Q C -0.588 175.330 176.000 -0.136 0.000 1.024 24 Q CA -0.026 55.697 55.803 -0.134 0.000 0.900 24 Q CB 0.816 29.543 28.738 -0.018 0.000 1.221 24 Q HN 0.652 nan 8.270 nan 0.000 0.396 25 A N 5.502 128.196 122.820 -0.209 0.000 2.407 25 A HA 0.365 4.685 4.320 0.000 0.000 0.248 25 A C -2.246 175.329 177.584 -0.016 0.000 1.082 25 A CA -1.252 50.714 52.037 -0.118 0.000 0.785 25 A CB -0.068 18.841 19.000 -0.152 0.000 1.020 25 A HN 0.613 nan 8.150 nan 0.000 0.489 26 P HA 0.303 nan 4.420 nan 0.000 0.267 26 P C -0.214 177.159 177.300 0.122 0.000 1.205 26 P CA 0.502 63.633 63.100 0.051 0.000 0.765 26 P CB 0.625 32.347 31.700 0.037 0.000 0.828 27 Q N -0.382 119.470 119.800 0.086 0.000 2.342 27 Q HA -0.216 4.124 4.340 0.000 0.000 0.196 27 Q C 0.207 176.287 176.000 0.134 0.000 0.629 27 Q CA 1.376 57.213 55.803 0.056 0.000 1.365 27 Q CB -2.315 26.394 28.738 -0.049 0.000 1.406 27 Q HN 0.623 nan 8.270 nan 0.000 0.840 28 A N 0.287 123.243 122.820 0.227 0.000 2.354 28 A HA 0.603 4.923 4.320 0.000 0.000 0.269 28 A C -0.050 177.664 177.584 0.217 0.000 1.109 28 A CA -0.143 52.046 52.037 0.254 0.000 0.800 28 A CB 0.885 19.930 19.000 0.076 0.000 1.045 28 A HN 0.131 nan 8.150 nan 0.000 0.489 29 V N 3.604 123.672 119.914 0.257 0.000 2.409 29 V HA 0.187 4.307 4.120 0.000 0.000 0.291 29 V C -0.035 176.191 176.094 0.220 0.000 1.020 29 V CA -0.801 61.620 62.300 0.201 0.000 0.848 29 V CB 1.592 33.473 31.823 0.096 0.000 0.990 29 V HN 0.996 nan 8.190 nan 0.000 0.430 30 D N 4.884 125.385 120.400 0.168 0.000 2.417 30 D HA 0.088 4.728 4.640 0.000 0.000 0.250 30 D C 0.214 176.431 176.300 -0.138 0.000 1.166 30 D CA -0.072 53.844 54.000 -0.140 0.000 0.881 30 D CB 1.005 41.767 40.800 -0.064 0.000 1.164 30 D HN 0.369 nan 8.370 nan 0.000 0.467 31 K N 2.346 122.615 120.400 -0.218 0.000 2.537 31 K HA 0.330 4.650 4.320 0.000 0.000 0.206 31 K C 0.580 177.127 176.600 -0.089 0.000 1.041 31 K CA -0.417 55.799 56.287 -0.119 0.000 1.090 31 K CB 0.742 33.176 32.500 -0.110 0.000 0.833 31 K HN 0.730 nan 8.250 nan 0.000 0.493 32 G N 2.706 111.441 108.800 -0.108 0.000 2.555 32 G HA2 -0.133 3.827 3.960 0.000 0.000 0.686 32 G HA3 -0.133 3.827 3.960 0.000 0.000 0.686 32 G C -3.175 171.702 174.900 -0.038 0.000 1.275 32 G CA -1.146 43.925 45.100 -0.048 0.000 0.871 32 G HN -0.089 nan 8.290 nan 0.000 0.603 33 P HA 0.418 nan 4.420 nan 0.000 0.274 33 P C 0.281 177.558 177.300 -0.039 0.000 1.231 33 P CA -0.183 62.886 63.100 -0.051 0.000 0.790 33 P CB 1.266 32.953 31.700 -0.022 0.000 0.951 34 V N 3.156 122.954 119.914 -0.194 0.000 2.508 34 V HA 0.239 4.359 4.120 0.000 0.000 0.281 34 V C 1.328 177.396 176.094 -0.043 0.000 1.041 34 V CA 0.769 62.911 62.300 -0.262 0.000 1.016 34 V CB 0.166 31.783 31.823 -0.344 0.000 0.984 34 V HN 0.922 nan 8.190 nan 0.000 0.478 35 T N 1.083 115.664 114.554 0.044 0.000 2.572 35 T HA 0.692 5.042 4.350 0.000 0.000 0.274 35 T C 1.075 175.804 174.700 0.048 0.000 0.949 35 T CA 0.410 62.533 62.100 0.038 0.000 1.126 35 T CB 1.240 70.130 68.868 0.038 0.000 1.478 35 T HN 1.508 nan 8.240 nan 0.000 0.492 36 G N 0.640 109.461 108.800 0.035 0.000 2.382 36 G HA2 -0.301 3.659 3.960 0.000 0.000 0.259 36 G HA3 -0.301 3.659 3.960 0.000 0.000 0.259 36 G C 0.094 175.010 174.900 0.026 0.000 1.009 36 G CA 1.120 46.238 45.100 0.031 0.000 0.625 36 G HN 1.527 nan 8.290 nan 0.000 0.541 37 D N 0.195 120.612 120.400 0.027 0.000 2.956 37 D HA -0.100 4.540 4.640 0.000 0.000 0.240 37 D C 0.691 177.006 176.300 0.025 0.000 1.141 37 D CA 1.449 55.463 54.000 0.023 0.000 0.820 37 D CB -0.338 40.472 40.800 0.017 0.000 0.988 37 D HN 0.655 nan 8.370 nan 0.000 0.417 38 Q N 0.122 119.941 119.800 0.032 0.000 2.316 38 Q HA 0.323 4.663 4.340 0.000 0.000 0.215 38 Q C 0.673 176.693 176.000 0.032 0.000 1.020 38 Q CA -0.289 55.534 55.803 0.033 0.000 0.970 38 Q CB 0.820 29.582 28.738 0.041 0.000 1.187 38 Q HN 0.385 nan 8.270 nan 0.000 0.546 39 R N 1.249 121.768 120.500 0.033 0.000 2.308 39 R HA 0.411 4.751 4.340 0.000 0.000 0.305 39 R C -0.243 176.082 176.300 0.042 0.000 1.053 39 R CA -0.082 56.039 56.100 0.035 0.000 0.957 39 R CB 0.181 30.500 30.300 0.032 0.000 1.022 39 R HN 0.583 nan 8.270 nan 0.000 0.461 40 I N 0.150 120.748 120.570 0.048 0.000 2.730 40 I HA 0.549 4.719 4.170 0.000 0.000 0.298 40 I C -0.756 175.399 176.117 0.063 0.000 1.089 40 I CA -0.847 60.485 61.300 0.054 0.000 1.041 40 I CB 2.496 40.529 38.000 0.054 0.000 1.235 40 I HN 0.591 nan 8.210 nan 0.000 0.423 41 S N 4.281 120.018 115.700 0.063 0.000 2.532 41 S HA 0.911 5.381 4.470 0.000 0.000 0.301 41 S C -0.395 174.243 174.600 0.063 0.000 1.083 41 S CA -0.450 57.792 58.200 0.070 0.000 1.025 41 S CB 1.874 65.116 63.200 0.069 0.000 1.056 41 S HN 1.228 nan 8.310 nan 0.000 0.494 42 V N -1.299 118.655 119.914 0.067 0.000 3.130 42 V HA 0.835 4.955 4.120 0.000 0.000 0.310 42 V C -0.607 175.521 176.094 0.056 0.000 1.158 42 V CA -0.704 61.612 62.300 0.027 0.000 1.029 42 V CB 1.453 33.235 31.823 -0.067 0.000 1.057 42 V HN 0.902 nan 8.190 nan 0.000 0.436 43 T N 1.926 116.502 114.554 0.037 0.000 2.779 43 T HA 0.658 5.008 4.350 0.000 0.000 0.280 43 T C -0.538 174.198 174.700 0.059 0.000 0.987 43 T CA -0.289 61.854 62.100 0.073 0.000 0.966 43 T CB 1.382 70.292 68.868 0.069 0.000 0.933 43 T HN 0.729 nan 8.240 nan 0.000 0.442 44 V N 4.394 124.374 119.914 0.111 0.000 2.398 44 V HA 0.391 4.511 4.120 0.000 0.000 0.286 44 V C -0.016 176.138 176.094 0.100 0.000 1.026 44 V CA -0.731 61.636 62.300 0.112 0.000 0.868 44 V CB 1.730 33.670 31.823 0.196 0.000 0.982 44 V HN 0.675 nan 8.190 nan 0.000 0.443 45 V N 6.853 126.809 119.914 0.070 0.000 2.364 45 V HA 0.389 4.509 4.120 0.000 0.000 0.272 45 V C -0.070 176.033 176.094 0.015 0.000 1.036 45 V CA -0.427 61.902 62.300 0.049 0.000 0.880 45 V CB 1.188 33.037 31.823 0.043 0.000 0.991 45 V HN 0.568 nan 8.190 nan 0.000 0.460 46 L N 5.317 126.524 121.223 -0.026 0.000 2.399 46 L HA 0.567 4.907 4.340 0.000 0.000 0.265 46 L C 0.849 177.678 176.870 -0.068 0.000 1.089 46 L CA -0.267 54.516 54.840 -0.094 0.000 0.802 46 L CB 0.782 42.688 42.059 -0.254 0.000 1.180 46 L HN 0.730 nan 8.230 nan 0.000 0.454 47 R N 1.342 121.797 120.500 -0.075 0.000 2.738 47 R HA 0.510 4.850 4.340 0.000 0.000 0.268 47 R C -0.655 175.613 176.300 -0.054 0.000 1.062 47 R CA -0.349 55.723 56.100 -0.047 0.000 1.158 47 R CB 0.498 30.769 30.300 -0.048 0.000 1.046 47 R HN 0.530 nan 8.270 nan 0.000 0.493 48 R N 0.138 120.627 120.500 -0.018 0.000 2.867 48 R HA 0.149 4.489 4.340 0.000 0.000 0.268 48 R C -0.859 175.433 176.300 -0.013 0.000 1.014 48 R CA -1.138 54.957 56.100 -0.008 0.000 0.946 48 R CB 2.049 32.375 30.300 0.043 0.000 1.208 48 R HN 0.797 nan 8.270 nan 0.000 0.477 49 Q N 1.355 121.134 119.800 -0.035 0.000 2.314 49 Q HA 0.223 4.563 4.340 0.000 0.000 0.258 49 Q C -0.656 175.299 176.000 -0.074 0.000 0.954 49 Q CA -0.346 55.415 55.803 -0.070 0.000 0.890 49 Q CB 0.855 29.525 28.738 -0.113 0.000 1.210 49 Q HN 0.498 nan 8.270 nan 0.000 0.410 50 R N 1.483 121.948 120.500 -0.058 0.000 3.416 50 R HA -0.228 4.112 4.340 0.000 0.000 0.263 50 R C 0.846 177.223 176.300 0.128 0.000 1.053 50 R CA 0.270 56.362 56.100 -0.013 0.000 0.705 50 R CB -2.382 27.814 30.300 -0.173 0.000 1.124 50 R HN 1.042 nan 8.270 nan 0.000 0.444 51 G N 0.628 109.479 108.800 0.086 0.000 2.408 51 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 51 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 51 G C 0.937 175.887 174.900 0.083 0.000 1.150 51 G CA 1.077 46.232 45.100 0.091 0.000 0.776 51 G HN 0.299 nan 8.290 nan 0.000 0.542 52 D N 0.130 120.572 120.400 0.070 0.000 2.117 52 D HA -0.078 4.562 4.640 0.000 0.000 0.198 52 D C 2.248 178.599 176.300 0.085 0.000 0.982 52 D CA 1.091 55.132 54.000 0.069 0.000 0.828 52 D CB -0.261 40.570 40.800 0.052 0.000 0.967 52 D HN 0.569 nan 8.370 nan 0.000 0.464 53 E N 0.110 120.369 120.200 0.099 0.000 2.110 53 E HA -0.180 4.170 4.350 0.000 0.000 0.193 53 E C 2.062 178.745 176.600 0.138 0.000 0.988 53 E CA 0.499 56.972 56.400 0.122 0.000 0.804 53 E CB -0.096 29.684 29.700 0.134 0.000 0.745 53 E HN 0.106 nan 8.360 nan 0.000 0.458 54 L N 1.756 123.038 121.223 0.099 0.000 1.989 54 L HA -0.199 4.141 4.340 0.000 0.000 0.211 54 L C 2.360 179.266 176.870 0.059 0.000 1.071 54 L CA 2.403 57.218 54.840 -0.042 0.000 0.749 54 L CB -0.634 41.321 42.059 -0.172 0.000 0.890 54 L HN 0.236 nan 8.230 nan 0.000 0.431 55 E N -0.790 119.455 120.200 0.075 0.000 2.077 55 E HA -0.248 4.102 4.350 0.000 0.000 0.193 55 E C 2.061 178.741 176.600 0.134 0.000 0.989 55 E CA 1.237 57.704 56.400 0.112 0.000 0.800 55 E CB -0.208 29.567 29.700 0.125 0.000 0.746 55 E HN 0.610 nan 8.360 nan 0.000 0.452 56 A N 0.280 123.175 122.820 0.125 0.000 1.933 56 A HA -0.227 4.093 4.320 0.000 0.000 0.218 56 A C 1.970 179.634 177.584 0.132 0.000 1.175 56 A CA 1.878 53.987 52.037 0.119 0.000 0.628 56 A CB -0.929 18.134 19.000 0.105 0.000 0.814 56 A HN 0.523 nan 8.150 nan 0.000 0.444 57 H N -0.170 118.934 119.070 0.057 0.000 2.319 57 H HA -0.097 4.459 4.556 0.000 0.000 0.299 57 H C 1.786 177.155 175.328 0.069 0.000 1.092 57 H CA 2.171 58.251 56.048 0.053 0.000 1.302 57 H CB -0.283 29.498 29.762 0.032 0.000 1.373 57 H HN 0.125 nan 8.280 nan 0.000 0.497 58 V N 0.425 120.323 119.914 -0.025 0.000 2.307 58 V HA -0.181 3.939 4.120 0.000 0.000 0.245 58 V C 2.390 178.522 176.094 0.064 0.000 1.045 58 V CA 2.102 64.385 62.300 -0.028 0.000 1.024 58 V CB -0.566 31.291 31.823 0.057 0.000 0.651 58 V HN 0.465 nan 8.190 nan 0.000 0.449 59 E N 0.101 120.377 120.200 0.126 0.000 2.265 59 E HA -0.225 4.125 4.350 0.000 0.000 0.196 59 E C 2.262 178.914 176.600 0.086 0.000 0.996 59 E CA 1.284 57.775 56.400 0.151 0.000 0.832 59 E CB -0.128 29.663 29.700 0.152 0.000 0.756 59 E HN 0.447 nan 8.360 nan 0.000 0.491 60 R N -0.539 119.981 120.500 0.035 0.000 2.066 60 R HA 0.025 4.365 4.340 0.000 0.000 0.224 60 R C 2.045 178.330 176.300 -0.025 0.000 1.122 60 R CA 0.923 57.030 56.100 0.012 0.000 0.974 60 R CB 0.071 30.382 30.300 0.018 0.000 0.871 60 R HN 0.204 nan 8.270 nan 0.000 0.435 61 Q N 0.033 119.776 119.800 -0.095 0.000 2.439 61 Q HA -0.089 4.251 4.340 0.000 0.000 0.211 61 Q C 1.758 177.731 176.000 -0.045 0.000 0.978 61 Q CA 1.005 56.749 55.803 -0.099 0.000 0.897 61 Q CB 0.104 28.730 28.738 -0.186 0.000 0.956 61 Q HN 0.366 nan 8.270 nan 0.000 0.483 62 A N 1.180 123.991 122.820 -0.015 0.000 1.940 62 A HA -0.074 4.246 4.320 0.000 0.000 0.219 62 A C 2.075 179.644 177.584 -0.024 0.000 1.176 62 A CA 1.492 53.513 52.037 -0.027 0.000 0.631 62 A CB -0.366 18.645 19.000 0.019 0.000 0.814 62 A HN 0.332 nan 8.150 nan 0.000 0.446 63 A N -0.926 121.891 122.820 -0.005 0.000 2.265 63 A HA 0.502 4.822 4.320 0.000 0.000 0.213 63 A C 0.367 177.942 177.584 -0.015 0.000 1.255 63 A CA 0.145 52.181 52.037 -0.002 0.000 0.862 63 A CB -0.574 18.431 19.000 0.007 0.000 0.852 63 A HN 0.401 nan 8.150 nan 0.000 0.484 64 L N -0.489 120.717 121.223 -0.029 0.000 2.408 64 L HA 0.587 4.927 4.340 0.000 0.000 0.268 64 L C 0.260 177.103 176.870 -0.045 0.000 0.986 64 L CA -0.911 53.903 54.840 -0.043 0.000 0.820 64 L CB 1.944 43.973 42.059 -0.051 0.000 1.303 64 L HN 0.133 nan 8.230 nan 0.000 0.411 65 A N 4.229 127.019 122.820 -0.049 0.000 2.520 65 A HA 0.302 4.622 4.320 0.000 0.000 0.245 65 A C -1.396 176.183 177.584 -0.010 0.000 1.072 65 A CA -0.932 51.113 52.037 0.013 0.000 0.761 65 A CB -0.232 18.836 19.000 0.114 0.000 1.004 65 A HN 0.628 nan 8.150 nan 0.000 0.499 66 P HA -0.179 nan 4.420 nan 0.000 0.231 66 P C 0.461 177.817 177.300 0.094 0.000 1.154 66 P CA 1.475 64.604 63.100 0.048 0.000 0.762 66 P CB -0.246 31.470 31.700 0.026 0.000 0.790 67 H N -2.166 116.900 119.070 -0.007 0.000 2.487 67 H HA 0.636 5.192 4.556 0.000 0.000 0.290 67 H C 0.440 175.770 175.328 0.003 0.000 1.081 67 H CA -0.041 56.007 56.048 -0.001 0.000 1.116 67 H CB 0.301 30.055 29.762 -0.012 0.000 1.560 67 H HN 0.075 nan 8.280 nan 0.000 0.548 68 A N 0.846 123.509 122.820 -0.262 0.000 2.574 68 A HA 0.216 4.536 4.320 0.000 0.000 0.246 68 A C 0.389 177.902 177.584 -0.117 0.000 1.025 68 A CA -0.579 51.319 52.037 -0.231 0.000 1.043 68 A CB 0.494 19.267 19.000 -0.378 0.000 1.177 68 A HN 0.162 nan 8.150 nan 0.000 0.526 69 R N -0.560 119.903 120.500 -0.062 0.000 2.553 69 R HA 0.628 4.968 4.340 0.000 0.000 0.263 69 R C -0.857 175.448 176.300 0.008 0.000 1.066 69 R CA -0.517 55.572 56.100 -0.019 0.000 1.135 69 R CB 1.229 31.530 30.300 0.003 0.000 1.148 69 R HN 0.032 nan 8.270 nan 0.000 0.558 70 V N 2.399 122.334 119.914 0.035 0.000 2.326 70 V HA 0.157 4.277 4.120 0.000 0.000 0.281 70 V C -0.589 175.597 176.094 0.153 0.000 1.015 70 V CA -0.811 61.514 62.300 0.043 0.000 0.823 70 V CB 0.631 32.502 31.823 0.080 0.000 1.009 70 V HN 0.805 nan 8.190 nan 0.000 0.436 71 H N 3.925 123.073 119.070 0.130 0.000 2.502 71 H HA 0.765 5.321 4.556 0.000 0.000 0.338 71 H C -0.460 174.957 175.328 0.149 0.000 1.155 71 H CA -1.081 55.064 56.048 0.162 0.000 1.237 71 H CB 0.858 30.674 29.762 0.090 0.000 1.534 71 H HN 0.438 nan 8.280 nan 0.000 0.523 72 L N 1.301 122.743 121.223 0.366 0.000 2.472 72 L HA 0.214 4.554 4.340 0.000 0.000 0.260 72 L C 0.483 177.560 176.870 0.346 0.000 1.209 72 L CA -0.375 54.626 54.840 0.268 0.000 0.817 72 L CB 0.426 42.651 42.059 0.277 0.000 1.106 72 L HN 0.672 nan 8.230 nan 0.000 0.479 73 E N 0.671 121.021 120.200 0.250 0.000 2.195 73 E HA 0.269 4.619 4.350 0.000 0.000 0.271 73 E C 0.517 177.253 176.600 0.227 0.000 0.923 73 E CA -0.573 55.959 56.400 0.220 0.000 0.790 73 E CB 1.909 31.697 29.700 0.147 0.000 1.155 73 E HN 0.419 nan 8.360 nan 0.000 0.402 74 R N 1.261 121.861 120.500 0.166 0.000 2.091 74 R HA -0.193 4.147 4.340 0.000 0.000 0.238 74 R C 1.305 177.728 176.300 0.205 0.000 1.136 74 R CA 1.571 57.770 56.100 0.166 0.000 0.959 74 R CB 0.061 30.418 30.300 0.095 0.000 0.856 74 R HN 0.430 nan 8.270 nan 0.000 0.437 75 E N 0.057 120.349 120.200 0.153 0.000 2.268 75 E HA -0.087 4.263 4.350 0.000 0.000 0.195 75 E C 1.488 178.168 176.600 0.134 0.000 0.995 75 E CA 1.201 57.678 56.400 0.127 0.000 0.836 75 E CB 0.067 29.820 29.700 0.089 0.000 0.763 75 E HN 0.378 nan 8.360 nan 0.000 0.491 76 A N -0.637 122.278 122.820 0.159 0.000 2.197 76 A HA 0.155 4.475 4.320 0.000 0.000 0.210 76 A C 1.682 179.371 177.584 0.174 0.000 1.180 76 A CA -0.294 51.821 52.037 0.129 0.000 0.846 76 A CB -0.388 18.670 19.000 0.096 0.000 0.884 76 A HN 0.268 nan 8.150 nan 0.000 0.487 77 F N 1.372 121.394 119.950 0.119 0.000 2.095 77 F HA -0.161 4.366 4.527 0.000 0.000 0.298 77 F C 2.526 178.411 175.800 0.141 0.000 1.104 77 F CA 1.584 59.685 58.000 0.167 0.000 1.232 77 F CB -0.163 38.956 39.000 0.197 0.000 0.987 77 F HN 0.269 nan 8.300 nan 0.000 0.475 78 A N 0.295 123.333 122.820 0.365 0.000 1.892 78 A HA -0.194 4.126 4.320 0.000 0.000 0.218 78 A C 2.358 179.988 177.584 0.076 0.000 1.188 78 A CA 2.114 54.285 52.037 0.223 0.000 0.631 78 A CB -1.613 17.488 19.000 0.169 0.000 0.822 78 A HN 0.510 nan 8.150 nan 0.000 0.447 79 A N -0.177 122.668 122.820 0.043 0.000 1.930 79 A HA -0.033 4.287 4.320 0.000 0.000 0.217 79 A C 2.462 179.988 177.584 -0.097 0.000 1.175 79 A CA 2.294 54.323 52.037 -0.013 0.000 0.627 79 A CB -0.708 18.289 19.000 -0.004 0.000 0.815 79 A HN 0.993 nan 8.150 nan 0.000 0.443 80 S N -2.063 113.538 115.700 -0.165 0.000 2.470 80 S HA 0.034 4.504 4.470 0.000 0.000 0.222 80 S C 1.130 175.310 174.600 -0.699 0.000 1.024 80 S CA 1.000 58.976 58.200 -0.374 0.000 0.931 80 S CB -0.374 62.623 63.200 -0.340 0.000 0.791 80 S HN 0.681 nan 8.310 nan 0.000 0.513 81 H N 0.240 119.056 119.070 -0.423 0.000 3.367 81 H HA 0.474 5.030 4.556 0.000 0.000 0.257 81 H C 0.984 176.146 175.328 -0.277 0.000 1.201 81 H CA -0.091 55.651 56.048 -0.510 0.000 1.102 81 H CB 0.590 29.703 29.762 -1.081 0.000 1.656 81 H HN 0.470 nan 8.280 nan 0.000 0.662 82 G N 0.305 109.089 108.800 -0.027 0.000 2.543 82 G HA2 0.553 4.513 3.960 0.000 0.000 0.290 82 G HA3 0.553 4.513 3.960 0.000 0.000 0.290 82 G C -0.183 174.765 174.900 0.080 0.000 1.310 82 G CA -0.160 45.014 45.100 0.122 0.000 1.025 82 G HN 0.323 nan 8.290 nan 0.000 0.502 83 A N -0.187 122.706 122.820 0.123 0.000 2.371 83 A HA 0.570 4.890 4.320 0.000 0.000 0.257 83 A C 0.950 178.590 177.584 0.093 0.000 1.089 83 A CA 0.263 52.305 52.037 0.009 0.000 0.794 83 A CB 0.186 19.060 19.000 -0.210 0.000 1.029 83 A HN 1.590 nan 8.150 nan 0.000 0.488 84 S N 1.759 117.462 115.700 0.004 0.000 2.592 84 S HA 0.345 4.815 4.470 0.000 0.000 0.271 84 S C 0.958 175.670 174.600 0.187 0.000 1.326 84 S CA -0.596 57.647 58.200 0.072 0.000 1.024 84 S CB 0.445 63.652 63.200 0.012 0.000 0.921 84 S HN 0.555 nan 8.310 nan 0.000 0.527 85 L N 0.696 122.044 121.223 0.208 0.000 2.131 85 L HA -0.093 4.247 4.340 0.000 0.000 0.210 85 L C 1.955 178.931 176.870 0.177 0.000 1.092 85 L CA 1.205 56.195 54.840 0.250 0.000 0.759 85 L CB -0.699 41.438 42.059 0.129 0.000 0.903 85 L HN 0.657 nan 8.230 nan 0.000 0.435 86 D N 0.157 120.613 120.400 0.093 0.000 2.117 86 D HA -0.176 4.464 4.640 0.000 0.000 0.197 86 D C 1.783 178.108 176.300 0.042 0.000 0.987 86 D CA 1.166 55.200 54.000 0.057 0.000 0.829 86 D CB -0.125 40.690 40.800 0.026 0.000 0.961 86 D HN 0.262 nan 8.370 nan 0.000 0.460 87 D N -0.530 119.868 120.400 -0.004 0.000 2.144 87 D HA -0.087 4.553 4.640 0.000 0.000 0.200 87 D C 1.971 178.217 176.300 -0.089 0.000 0.978 87 D CA 0.424 54.371 54.000 -0.089 0.000 0.833 87 D CB -0.417 40.269 40.800 -0.189 0.000 0.961 87 D HN 0.243 nan 8.370 nan 0.000 0.470 88 F N 1.359 121.328 119.950 0.032 0.000 2.171 88 F HA -0.146 4.381 4.527 0.000 0.000 0.300 88 F C 2.468 178.297 175.800 0.048 0.000 1.090 88 F CA 0.963 58.989 58.000 0.043 0.000 1.293 88 F CB -0.220 38.799 39.000 0.032 0.000 1.013 88 F HN -0.076 nan 8.300 nan 0.000 0.486 89 A N -0.158 122.785 122.820 0.205 0.000 1.902 89 A HA -0.171 4.149 4.320 0.000 0.000 0.217 89 A C 2.155 179.805 177.584 0.109 0.000 1.181 89 A CA 1.636 53.752 52.037 0.133 0.000 0.623 89 A CB -0.482 18.574 19.000 0.093 0.000 0.818 89 A HN 0.242 nan 8.150 nan 0.000 0.443 90 E N -0.044 120.206 120.200 0.083 0.000 2.106 90 E HA -0.109 4.241 4.350 0.000 0.000 0.192 90 E C 2.009 178.683 176.600 0.122 0.000 0.984 90 E CA 0.690 57.134 56.400 0.074 0.000 0.806 90 E CB -0.361 29.354 29.700 0.025 0.000 0.750 90 E HN 0.559 nan 8.360 nan 0.000 0.458 91 I N 0.813 121.458 120.570 0.125 0.000 2.286 91 I HA -0.218 3.952 4.170 0.000 0.000 0.248 91 I C 2.544 178.820 176.117 0.266 0.000 1.115 91 I CA 0.960 62.388 61.300 0.213 0.000 1.392 91 I CB -0.764 37.338 38.000 0.169 0.000 1.065 91 I HN 0.104 nan 8.210 nan 0.000 0.418 92 R N 1.349 121.968 120.500 0.199 0.000 2.096 92 R HA -0.166 4.174 4.340 0.000 0.000 0.235 92 R C 2.267 178.638 176.300 0.117 0.000 1.127 92 R CA 1.334 57.523 56.100 0.148 0.000 0.968 92 R CB 0.035 30.408 30.300 0.122 0.000 0.861 92 R HN 0.271 nan 8.270 nan 0.000 0.440 93 K N -0.309 120.167 120.400 0.127 0.000 2.057 93 K HA -0.182 4.138 4.320 0.000 0.000 0.207 93 K C 1.924 178.611 176.600 0.145 0.000 1.049 93 K CA 1.655 58.005 56.287 0.105 0.000 0.931 93 K CB -0.345 32.213 32.500 0.096 0.000 0.714 93 K HN 0.163 nan 8.250 nan 0.000 0.440 94 F N 1.833 121.816 119.950 0.055 0.000 2.134 94 F HA -0.185 4.342 4.527 0.000 0.000 0.299 94 F C 2.113 177.997 175.800 0.140 0.000 1.097 94 F CA 1.324 59.381 58.000 0.096 0.000 1.264 94 F CB -0.534 38.481 39.000 0.025 0.000 1.001 94 F HN -0.036 nan 8.300 nan 0.000 0.479 95 A N 0.519 123.255 122.820 -0.141 0.000 1.858 95 A HA -0.210 4.110 4.320 0.000 0.000 0.216 95 A C 2.179 179.668 177.584 -0.158 0.000 1.190 95 A CA 1.905 53.786 52.037 -0.260 0.000 0.617 95 A CB -1.071 17.905 19.000 -0.040 0.000 0.827 95 A HN 0.574 nan 8.150 nan 0.000 0.443 96 E N -0.345 119.816 120.200 -0.065 0.000 2.085 96 E HA -0.161 4.189 4.350 0.000 0.000 0.194 96 E C 2.188 178.722 176.600 -0.110 0.000 0.994 96 E CA 1.001 57.364 56.400 -0.062 0.000 0.801 96 E CB -0.313 29.372 29.700 -0.026 0.000 0.743 96 E HN 0.617 nan 8.360 nan 0.000 0.453 97 A N 0.656 123.394 122.820 -0.136 0.000 2.125 97 A HA -0.151 4.169 4.320 0.000 0.000 0.219 97 A C 0.968 178.222 177.584 -0.550 0.000 1.156 97 A CA 1.290 53.159 52.037 -0.281 0.000 0.671 97 A CB -0.415 18.434 19.000 -0.252 0.000 0.794 97 A HN 0.248 nan 8.150 nan 0.000 0.459 98 H N -2.349 116.570 119.070 -0.251 0.000 2.674 98 H HA 0.402 4.958 4.556 0.000 0.000 0.274 98 H C 1.265 176.470 175.328 -0.205 0.000 1.121 98 H CA 0.250 56.139 56.048 -0.266 0.000 1.132 98 H CB 0.537 30.028 29.762 -0.453 0.000 1.606 98 H HN 0.488 nan 8.280 nan 0.000 0.558 99 G N 0.802 109.543 108.800 -0.099 0.000 2.136 99 G HA2 -0.268 3.692 3.960 0.000 0.000 0.242 99 G HA3 -0.268 3.692 3.960 0.000 0.000 0.242 99 G C -0.079 174.790 174.900 -0.053 0.000 0.989 99 G CA 0.181 45.242 45.100 -0.065 0.000 0.682 99 G HN 0.281 nan 8.290 nan 0.000 0.522 100 L N 0.514 121.690 121.223 -0.078 0.000 2.358 100 L HA 0.802 5.142 4.340 0.000 0.000 0.268 100 L C 0.893 177.748 176.870 -0.025 0.000 1.032 100 L CA -0.447 54.364 54.840 -0.049 0.000 0.805 100 L CB 1.915 43.925 42.059 -0.083 0.000 1.253 100 L HN 0.307 nan 8.230 nan 0.000 0.452 101 T N -0.700 113.860 114.554 0.011 0.000 2.856 101 T HA 0.485 4.835 4.350 0.000 0.000 0.283 101 T C -0.568 174.164 174.700 0.053 0.000 1.008 101 T CA -0.671 61.444 62.100 0.024 0.000 0.997 101 T CB 1.789 70.671 68.868 0.023 0.000 0.992 101 T HN 0.464 nan 8.240 nan 0.000 0.454 102 L N 3.092 124.352 121.223 0.062 0.000 2.282 102 L HA 0.305 4.645 4.340 0.000 0.000 0.287 102 L C 0.169 177.075 176.870 0.061 0.000 1.075 102 L CA -0.496 54.400 54.840 0.093 0.000 0.839 102 L CB 0.298 42.428 42.059 0.119 0.000 1.219 102 L HN 0.724 nan 8.230 nan 0.000 0.434 103 D N 2.856 123.295 120.400 0.065 0.000 2.123 103 D HA -0.047 4.593 4.640 0.000 0.000 0.200 103 D C 0.500 176.809 176.300 0.016 0.000 0.976 103 D CA 0.995 55.020 54.000 0.043 0.000 0.831 103 D CB 0.228 41.062 40.800 0.057 0.000 0.974 103 D HN 0.303 nan 8.370 nan 0.000 0.469 104 R N -0.318 120.193 120.500 0.019 0.000 2.566 104 R HA 0.593 4.933 4.340 0.000 0.000 0.271 104 R C -1.936 174.295 176.300 -0.114 0.000 1.071 104 R CA -0.541 55.515 56.100 -0.073 0.000 0.915 104 R CB 1.531 31.807 30.300 -0.041 0.000 1.228 104 R HN -0.085 nan 8.270 nan 0.000 0.449 105 A N 2.817 125.447 122.820 -0.316 0.000 2.337 105 A HA 0.636 4.956 4.320 0.000 0.000 0.329 105 A C -1.277 175.961 177.584 -0.578 0.000 1.146 105 A CA -0.607 51.180 52.037 -0.417 0.000 0.800 105 A CB 0.804 19.265 19.000 -0.899 0.000 1.220 105 A HN 0.859 nan 8.150 nan 0.000 0.472 106 H N 1.841 120.895 119.070 -0.027 0.000 2.791 106 H HA 0.316 4.872 4.556 0.000 0.000 0.272 106 H C 0.867 176.261 175.328 0.110 0.000 1.188 106 H CA -0.465 55.593 56.048 0.017 0.000 1.436 106 H CB 1.264 31.057 29.762 0.051 0.000 1.467 106 H HN 0.307 nan 8.280 nan 0.000 0.500 107 V N 1.538 121.490 119.914 0.063 0.000 2.255 107 V HA -0.305 3.815 4.120 0.000 0.000 0.247 107 V C 2.380 178.597 176.094 0.206 0.000 1.051 107 V CA 2.415 64.838 62.300 0.205 0.000 1.018 107 V CB -0.624 31.247 31.823 0.079 0.000 0.641 107 V HN 0.867 nan 8.190 nan 0.000 0.445 108 A N -0.020 122.854 122.820 0.089 0.000 1.877 108 A HA -0.120 4.200 4.320 0.000 0.000 0.216 108 A C 2.366 179.889 177.584 -0.102 0.000 1.186 108 A CA 2.191 54.262 52.037 0.057 0.000 0.620 108 A CB -0.881 18.058 19.000 -0.103 0.000 0.822 108 A HN 0.611 nan 8.150 nan 0.000 0.443 109 A N -1.602 121.039 122.820 -0.300 0.000 2.067 109 A HA 0.348 4.668 4.320 0.000 0.000 0.219 109 A C 1.872 179.491 177.584 0.057 0.000 1.158 109 A CA 1.440 53.368 52.037 -0.181 0.000 0.661 109 A CB -1.143 17.790 19.000 -0.111 0.000 0.801 109 A HN 2.076 nan 8.150 nan 0.000 0.452 110 G N -0.322 108.570 108.800 0.153 0.000 2.289 110 G HA2 -0.091 3.870 3.960 0.000 0.000 0.280 110 G HA3 -0.091 3.870 3.960 0.000 0.000 0.280 110 G C 0.227 175.214 174.900 0.145 0.000 1.089 110 G CA 0.986 46.178 45.100 0.154 0.000 0.939 110 G HN 1.709 nan 8.290 nan 0.000 0.499 111 T N -3.264 111.456 114.554 0.278 0.000 2.883 111 T HA 1.003 5.353 4.350 0.000 0.000 0.296 111 T C -0.328 174.632 174.700 0.434 0.000 1.117 111 T CA 0.086 62.340 62.100 0.257 0.000 1.006 111 T CB 2.537 71.504 68.868 0.166 0.000 1.191 111 T HN 1.986 nan 8.240 nan 0.000 0.508 112 A N 0.824 123.853 122.820 0.348 0.000 2.549 112 A HA 0.727 5.048 4.320 0.000 0.000 0.297 112 A C -1.083 176.656 177.584 0.258 0.000 1.061 112 A CA -0.806 51.447 52.037 0.359 0.000 0.690 112 A CB 1.823 21.070 19.000 0.412 0.000 1.287 112 A HN 0.961 nan 8.150 nan 0.000 0.402 113 V N 2.781 122.831 119.914 0.226 0.000 2.394 113 V HA 0.491 4.611 4.120 0.000 0.000 0.282 113 V C -0.232 175.955 176.094 0.155 0.000 1.031 113 V CA -0.189 62.216 62.300 0.175 0.000 0.881 113 V CB 0.924 32.844 31.823 0.162 0.000 0.982 113 V HN 0.701 nan 8.190 nan 0.000 0.451 114 L N 4.625 125.942 121.223 0.156 0.000 2.342 114 L HA 0.852 5.192 4.340 0.000 0.000 0.271 114 L C -0.005 176.938 176.870 0.123 0.000 1.008 114 L CA -0.300 54.630 54.840 0.151 0.000 0.818 114 L CB 2.272 44.458 42.059 0.212 0.000 1.296 114 L HN 0.792 nan 8.230 nan 0.000 0.427 115 S N 0.421 116.177 115.700 0.093 0.000 2.618 115 S HA 1.011 5.481 4.470 0.000 0.000 0.277 115 S C -0.580 174.053 174.600 0.056 0.000 1.138 115 S CA -0.245 58.001 58.200 0.077 0.000 0.844 115 S CB 2.684 65.922 63.200 0.064 0.000 1.127 115 S HN 1.085 nan 8.310 nan 0.000 0.474 116 G N 0.223 109.054 108.800 0.051 0.000 2.322 116 G HA2 0.540 4.500 3.960 0.000 0.000 0.295 116 G HA3 0.540 4.500 3.960 0.000 0.000 0.295 116 G C -3.623 171.297 174.900 0.034 0.000 1.369 116 G CA -0.708 44.412 45.100 0.033 0.000 0.821 116 G HN 0.669 nan 8.290 nan 0.000 0.536 117 P HA 0.175 nan 4.420 nan 0.000 0.272 117 P C 1.307 178.624 177.300 0.028 0.000 1.230 117 P CA -0.093 63.021 63.100 0.023 0.000 0.788 117 P CB 1.720 33.429 31.700 0.014 0.000 0.949 118 V N 1.506 121.437 119.914 0.027 0.000 2.324 118 V HA -0.263 3.857 4.120 0.000 0.000 0.250 118 V C 1.744 177.855 176.094 0.028 0.000 1.060 118 V CA 2.418 64.735 62.300 0.028 0.000 1.042 118 V CB -1.196 30.633 31.823 0.011 0.000 0.650 118 V HN 0.435 nan 8.190 nan 0.000 0.450 119 D N 0.212 120.623 120.400 0.018 0.000 2.149 119 D HA -0.136 4.504 4.640 0.000 0.000 0.198 119 D C 2.179 178.487 176.300 0.013 0.000 0.990 119 D CA 1.728 55.736 54.000 0.014 0.000 0.839 119 D CB -0.365 40.440 40.800 0.008 0.000 0.948 119 D HN 0.601 nan 8.370 nan 0.000 0.460 120 A N 0.313 123.139 122.820 0.010 0.000 1.897 120 A HA -0.090 4.230 4.320 0.000 0.000 0.215 120 A C 2.526 180.104 177.584 -0.010 0.000 1.181 120 A CA 0.968 53.002 52.037 -0.006 0.000 0.620 120 A CB -0.606 18.387 19.000 -0.012 0.000 0.821 120 A HN 0.139 nan 8.150 nan 0.000 0.443 121 V N 1.027 120.971 119.914 0.049 0.000 2.343 121 V HA -0.255 3.865 4.120 0.000 0.000 0.247 121 V C 2.333 178.517 176.094 0.150 0.000 1.051 121 V CA 2.122 64.514 62.300 0.153 0.000 1.036 121 V CB -1.022 30.903 31.823 0.171 0.000 0.654 121 V HN 0.529 nan 8.190 nan 0.000 0.451 122 N N -0.010 118.737 118.700 0.079 0.000 2.069 122 N HA -0.184 4.556 4.740 0.000 0.000 0.191 122 N C 1.933 177.455 175.510 0.020 0.000 1.031 122 N CA 1.403 54.487 53.050 0.056 0.000 0.852 122 N CB -0.389 38.120 38.487 0.037 0.000 1.018 122 N HN 0.467 nan 8.380 nan 0.000 0.423 123 Q N 0.313 120.110 119.800 -0.006 0.000 2.079 123 Q HA 0.046 4.386 4.340 0.000 0.000 0.200 123 Q C 2.045 177.966 176.000 -0.130 0.000 0.974 123 Q CA 1.206 56.998 55.803 -0.019 0.000 0.840 123 Q CB -0.364 28.392 28.738 0.029 0.000 0.898 123 Q HN 0.389 nan 8.270 nan 0.000 0.430 124 A N -0.146 122.490 122.820 -0.308 0.000 1.933 124 A HA -0.114 4.206 4.320 0.000 0.000 0.218 124 A C 1.444 178.602 177.584 -0.711 0.000 1.175 124 A CA 1.182 52.747 52.037 -0.786 0.000 0.628 124 A CB -0.521 17.815 19.000 -1.106 0.000 0.814 124 A HN 0.324 nan 8.150 nan 0.000 0.444 125 F N -0.954 118.956 119.950 -0.066 0.000 2.653 125 F HA 0.385 4.912 4.527 0.000 0.000 0.304 125 F C 1.604 177.327 175.800 -0.129 0.000 1.092 125 F CA 0.390 58.337 58.000 -0.088 0.000 1.279 125 F CB 0.305 39.234 39.000 -0.118 0.000 1.044 125 F HN 0.314 nan 8.300 nan 0.000 0.564 126 G N 1.879 110.680 108.800 0.001 0.000 2.273 126 G HA2 -0.184 3.776 3.960 0.000 0.000 0.280 126 G HA3 -0.184 3.776 3.960 0.000 0.000 0.280 126 G C -0.116 174.777 174.900 -0.013 0.000 1.047 126 G CA 0.381 45.476 45.100 -0.008 0.000 0.869 126 G HN 0.499 nan 8.290 nan 0.000 0.502 127 V N -4.192 115.716 119.914 -0.011 0.000 3.126 127 V HA 0.934 5.054 4.120 0.000 0.000 0.314 127 V C -0.139 175.981 176.094 0.044 0.000 1.138 127 V CA -0.975 61.313 62.300 -0.020 0.000 1.034 127 V CB 2.333 34.049 31.823 -0.178 0.000 1.075 127 V HN 0.418 nan 8.190 nan 0.000 0.442 128 E N 1.511 121.767 120.200 0.094 0.000 2.267 128 E HA 0.459 4.809 4.350 0.000 0.000 0.248 128 E C -1.277 175.390 176.600 0.113 0.000 0.899 128 E CA -0.647 55.802 56.400 0.083 0.000 0.764 128 E CB 1.442 31.184 29.700 0.070 0.000 1.227 128 E HN 0.788 nan 8.360 nan 0.000 0.421 129 L N 4.343 125.616 121.223 0.082 0.000 2.453 129 L HA 0.302 4.642 4.340 0.000 0.000 0.272 129 L C 0.522 177.367 176.870 -0.042 0.000 1.182 129 L CA -0.022 54.864 54.840 0.076 0.000 0.858 129 L CB 0.231 42.315 42.059 0.042 0.000 1.120 129 L HN 0.383 nan 8.230 nan 0.000 0.474 130 R N 1.756 122.208 120.500 -0.080 0.000 2.854 130 R HA 0.481 4.821 4.340 0.000 0.000 0.271 130 R C -0.773 175.222 176.300 -0.509 0.000 0.994 130 R CA -0.985 54.917 56.100 -0.331 0.000 0.945 130 R CB 1.517 31.527 30.300 -0.483 0.000 1.194 130 R HN 0.487 nan 8.270 nan 0.000 0.476 131 H N 1.186 119.977 119.070 -0.466 0.000 2.548 131 H HA 0.379 4.935 4.556 0.000 0.000 0.331 131 H C -0.488 174.385 175.328 -0.758 0.000 1.093 131 H CA 0.309 56.113 56.048 -0.407 0.000 1.367 131 H CB 0.782 30.398 29.762 -0.243 0.000 1.455 131 H HN 0.277 nan 8.280 nan 0.000 0.519 132 F N 1.093 120.904 119.950 -0.231 0.000 2.556 132 F HA 0.158 4.685 4.527 0.000 0.000 0.314 132 F C 0.152 175.762 175.800 -0.317 0.000 1.106 132 F CA -0.916 56.856 58.000 -0.379 0.000 0.911 132 F CB 1.839 40.354 39.000 -0.808 0.000 1.190 132 F HN 0.363 nan 8.300 nan 0.000 0.448 133 D N 1.305 121.740 120.400 0.059 0.000 2.163 133 D HA 0.311 4.951 4.640 0.000 0.000 0.248 133 D C -0.890 175.525 176.300 0.191 0.000 1.035 133 D CA 0.049 54.099 54.000 0.083 0.000 0.872 133 D CB 1.192 42.019 40.800 0.046 0.000 1.183 133 D HN 0.502 nan 8.370 nan 0.000 0.445 134 H N 1.069 120.205 119.070 0.110 0.000 3.046 134 H HA 0.206 4.762 4.556 0.000 0.000 0.361 134 H C -2.219 173.172 175.328 0.104 0.000 1.235 134 H CA -1.452 54.681 56.048 0.143 0.000 1.146 134 H CB 2.341 32.273 29.762 0.285 0.000 1.859 134 H HN 0.033 nan 8.280 nan 0.000 0.548 135 P HA -0.086 nan 4.420 nan 0.000 0.218 135 P C 0.552 177.894 177.300 0.070 0.000 1.148 135 P CA 1.177 64.201 63.100 -0.127 0.000 0.822 135 P CB 0.367 31.929 31.700 -0.230 0.000 0.784 136 D N -1.072 119.511 120.400 0.306 0.000 2.340 136 D HA 0.211 4.851 4.640 0.000 0.000 0.220 136 D C 0.969 177.403 176.300 0.223 0.000 1.039 136 D CA 0.683 54.846 54.000 0.271 0.000 0.866 136 D CB 0.333 41.306 40.800 0.287 0.000 0.913 136 D HN 0.150 nan 8.370 nan 0.000 0.523 137 G N -0.015 108.944 108.800 0.265 0.000 2.435 137 G HA2 -0.057 3.903 3.960 0.000 0.000 0.603 137 G HA3 -0.057 3.903 3.960 0.000 0.000 0.603 137 G C -0.646 174.442 174.900 0.313 0.000 1.496 137 G CA -0.888 44.344 45.100 0.220 0.000 0.896 137 G HN -0.028 nan 8.290 nan 0.000 0.657 138 S N 0.163 115.999 115.700 0.227 0.000 2.592 138 S HA 0.814 5.284 4.470 0.000 0.000 0.271 138 S C -0.137 174.638 174.600 0.291 0.000 1.326 138 S CA 0.565 58.883 58.200 0.197 0.000 1.024 138 S CB 0.635 63.895 63.200 0.099 0.000 0.921 138 S HN 1.437 nan 8.310 nan 0.000 0.527 139 Y N -0.797 119.605 120.300 0.170 0.000 2.764 139 Y HA 0.714 5.264 4.550 0.000 0.000 0.331 139 Y C -0.846 175.181 175.900 0.211 0.000 1.280 139 Y CA -1.729 56.459 58.100 0.147 0.000 1.065 139 Y CB 0.813 39.322 38.460 0.081 0.000 1.319 139 Y HN 0.643 nan 8.280 nan 0.000 0.453 140 R N 1.266 121.967 120.500 0.335 0.000 2.740 140 R HA 0.922 5.262 4.340 0.000 0.000 0.282 140 R C -1.076 175.475 176.300 0.419 0.000 0.969 140 R CA -0.692 55.539 56.100 0.217 0.000 0.918 140 R CB 2.188 32.514 30.300 0.042 0.000 1.175 140 R HN 0.889 nan 8.270 nan 0.000 0.464 141 S N 0.459 116.428 115.700 0.447 0.000 2.724 141 S HA 0.548 5.018 4.470 0.000 0.000 0.278 141 S C -1.953 172.914 174.600 0.445 0.000 1.190 141 S CA -0.752 57.695 58.200 0.412 0.000 0.860 141 S CB 0.927 64.327 63.200 0.334 0.000 1.206 141 S HN 0.675 nan 8.310 nan 0.000 0.507 142 Y N -0.949 119.508 120.300 0.262 0.000 2.609 142 Y HA 0.885 5.435 4.550 0.000 0.000 0.342 142 Y C -1.316 174.694 175.900 0.182 0.000 1.058 142 Y CA -1.175 57.054 58.100 0.215 0.000 1.055 142 Y CB 1.052 39.593 38.460 0.135 0.000 1.292 142 Y HN 0.332 nan 8.280 nan 0.000 0.476 143 V N 2.537 122.608 119.914 0.261 0.000 2.444 143 V HA 0.846 4.966 4.120 0.000 0.000 0.294 143 V C 0.264 176.503 176.094 0.241 0.000 1.022 143 V CA 0.385 62.773 62.300 0.147 0.000 0.850 143 V CB 0.448 32.367 31.823 0.161 0.000 0.992 143 V HN 1.455 nan 8.190 nan 0.000 0.426 144 G N 4.469 113.408 108.800 0.231 0.000 2.204 144 G HA2 0.070 4.030 3.960 0.000 0.000 0.153 144 G HA3 0.070 4.030 3.960 0.000 0.000 0.153 144 G C -1.488 173.591 174.900 0.298 0.000 1.295 144 G CA 0.060 45.298 45.100 0.230 0.000 1.257 144 G HN 0.633 nan 8.290 nan 0.000 0.495 145 D N -1.386 119.160 120.400 0.243 0.000 2.596 145 D HA 0.605 5.245 4.640 0.000 0.000 0.262 145 D C -0.761 175.557 176.300 0.030 0.000 1.210 145 D CA -0.183 53.935 54.000 0.198 0.000 0.873 145 D CB 2.341 43.216 40.800 0.125 0.000 1.408 145 D HN 0.487 nan 8.370 nan 0.000 0.441 146 V N 2.024 121.921 119.914 -0.029 0.000 2.394 146 V HA 0.540 4.660 4.120 0.000 0.000 0.282 146 V C 0.001 176.041 176.094 -0.089 0.000 1.031 146 V CA -0.318 61.888 62.300 -0.157 0.000 0.881 146 V CB 1.309 32.918 31.823 -0.357 0.000 0.982 146 V HN 0.350 nan 8.190 nan 0.000 0.451 147 R N 3.311 123.778 120.500 -0.054 0.000 2.532 147 R HA 0.745 5.085 4.340 0.000 0.000 0.297 147 R C -1.114 175.154 176.300 -0.052 0.000 0.984 147 R CA -0.587 55.487 56.100 -0.044 0.000 0.884 147 R CB 2.382 32.669 30.300 -0.022 0.000 1.182 147 R HN 0.638 nan 8.270 nan 0.000 0.442 148 V N 0.037 119.901 119.914 -0.084 0.000 3.046 148 V HA 0.681 4.801 4.120 0.000 0.000 0.316 148 V C -2.668 173.351 176.094 -0.125 0.000 1.104 148 V CA -3.288 58.927 62.300 -0.143 0.000 1.006 148 V CB 2.054 33.721 31.823 -0.261 0.000 1.058 148 V HN 0.496 nan 8.190 nan 0.000 0.440 149 P HA 0.148 nan 4.420 nan 0.000 0.264 149 P C 0.767 178.015 177.300 -0.086 0.000 1.183 149 P CA 0.872 63.944 63.100 -0.046 0.000 0.763 149 P CB 0.816 32.541 31.700 0.042 0.000 0.807 150 A N 3.457 126.248 122.820 -0.049 0.000 1.948 150 A HA -0.227 4.093 4.320 0.000 0.000 0.220 150 A C 2.168 179.715 177.584 -0.061 0.000 1.177 150 A CA 2.396 54.402 52.037 -0.051 0.000 0.636 150 A CB -1.694 17.289 19.000 -0.028 0.000 0.815 150 A HN 0.618 nan 8.150 nan 0.000 0.449 151 S N -0.753 114.917 115.700 -0.049 0.000 2.399 151 S HA -0.121 4.349 4.470 0.000 0.000 0.231 151 S C 1.637 176.184 174.600 -0.087 0.000 1.022 151 S CA 1.559 59.732 58.200 -0.046 0.000 0.983 151 S CB -0.346 62.846 63.200 -0.012 0.000 0.803 151 S HN 0.403 nan 8.310 nan 0.000 0.480 152 I N 1.378 121.852 120.570 -0.161 0.000 3.645 152 I HA 0.426 4.596 4.170 0.000 0.000 0.300 152 I C 2.293 178.258 176.117 -0.254 0.000 1.260 152 I CA 0.005 61.147 61.300 -0.263 0.000 1.365 152 I CB -0.443 37.220 38.000 -0.561 0.000 1.077 152 I HN 0.270 nan 8.210 nan 0.000 0.439 153 A N 1.818 124.518 122.820 -0.199 0.000 1.903 153 A HA -0.145 4.175 4.320 0.000 0.000 0.219 153 A C -0.096 177.425 177.584 -0.105 0.000 1.191 153 A CA 2.166 54.114 52.037 -0.148 0.000 0.638 153 A CB -2.156 16.783 19.000 -0.102 0.000 0.823 153 A HN 0.346 nan 8.150 nan 0.000 0.451 154 P HA -0.062 nan 4.420 nan 0.000 0.222 154 P C 0.982 178.240 177.300 -0.070 0.000 1.147 154 P CA 0.658 63.720 63.100 -0.064 0.000 0.790 154 P CB -0.014 31.654 31.700 -0.053 0.000 0.780 155 L N -1.805 119.360 121.223 -0.097 0.000 2.341 155 L HA 0.061 4.401 4.340 0.000 0.000 0.214 155 L C 1.118 177.931 176.870 -0.096 0.000 1.115 155 L CA 0.823 55.601 54.840 -0.103 0.000 0.820 155 L CB -0.468 41.517 42.059 -0.123 0.000 0.944 155 L HN -0.085 nan 8.230 nan 0.000 0.452 156 I N -0.688 119.828 120.570 -0.091 0.000 2.339 156 I HA 0.116 4.286 4.170 0.000 0.000 0.290 156 I C 0.821 176.933 176.117 -0.008 0.000 0.994 156 I CA -0.078 61.191 61.300 -0.052 0.000 1.191 156 I CB 1.532 39.493 38.000 -0.066 0.000 1.343 156 I HN 0.105 nan 8.210 nan 0.000 0.458 157 E N 4.547 124.759 120.200 0.020 0.000 2.276 157 E HA 0.303 4.653 4.350 0.000 0.000 0.193 157 E C 0.275 176.948 176.600 0.123 0.000 0.983 157 E CA 0.091 56.522 56.400 0.052 0.000 0.861 157 E CB 0.693 30.411 29.700 0.030 0.000 0.817 157 E HN 0.725 nan 8.360 nan 0.000 0.485 158 A N 0.433 123.335 122.820 0.137 0.000 2.605 158 A HA 0.526 4.846 4.320 0.000 0.000 0.294 158 A C -1.456 176.250 177.584 0.203 0.000 1.062 158 A CA -0.617 51.569 52.037 0.248 0.000 0.682 158 A CB 1.712 20.768 19.000 0.095 0.000 1.278 158 A HN -0.042 nan 8.150 nan 0.000 0.410 159 V N 1.802 121.913 119.914 0.327 0.000 2.443 159 V HA 0.585 4.705 4.120 0.000 0.000 0.293 159 V C -0.870 175.255 176.094 0.052 0.000 1.021 159 V CA -0.279 62.019 62.300 -0.003 0.000 0.848 159 V CB 0.994 32.585 31.823 -0.387 0.000 0.998 159 V HN 0.737 nan 8.190 nan 0.000 0.424 160 L N 2.887 124.116 121.223 0.011 0.000 2.319 160 L HA 0.945 5.285 4.340 0.000 0.000 0.267 160 L C 1.131 178.010 176.870 0.015 0.000 1.011 160 L CA 0.521 55.387 54.840 0.043 0.000 0.818 160 L CB 1.647 43.747 42.059 0.069 0.000 1.316 160 L HN 0.814 nan 8.230 nan 0.000 0.432 161 G N 0.337 109.161 108.800 0.040 0.000 2.175 161 G HA2 -0.242 3.718 3.960 0.000 0.000 0.244 161 G HA3 -0.242 3.718 3.960 0.000 0.000 0.244 161 G C 0.773 175.704 174.900 0.051 0.000 0.982 161 G CA 0.433 45.556 45.100 0.037 0.000 0.641 161 G HN 0.505 nan 8.290 nan 0.000 0.527 162 L N 0.245 121.509 121.223 0.068 0.000 2.109 162 L HA 0.162 4.502 4.340 0.000 0.000 0.207 162 L C 1.191 178.197 176.870 0.226 0.000 1.086 162 L CA 1.293 56.214 54.840 0.134 0.000 0.760 162 L CB -0.014 42.137 42.059 0.154 0.000 0.910 162 L HN 0.310 nan 8.230 nan 0.000 0.437 163 D N -0.115 120.396 120.400 0.185 0.000 2.280 163 D HA 0.069 4.709 4.640 0.000 0.000 0.236 163 D C 0.449 176.776 176.300 0.044 0.000 1.082 163 D CA -0.054 54.014 54.000 0.113 0.000 0.834 163 D CB 1.656 42.443 40.800 -0.021 0.000 1.100 163 D HN 0.013 nan 8.370 nan 0.000 0.486 164 T N 1.026 115.639 114.554 0.098 0.000 3.214 164 T HA 0.155 4.505 4.350 0.000 0.000 0.264 164 T C 0.917 175.592 174.700 -0.041 0.000 1.012 164 T CA -0.619 61.510 62.100 0.050 0.000 0.901 164 T CB 0.075 69.013 68.868 0.116 0.000 1.070 164 T HN 0.299 nan 8.240 nan 0.000 0.561 165 R N 1.984 122.298 120.500 -0.309 0.000 2.623 165 R HA 0.213 4.553 4.340 0.000 0.000 0.271 165 R C -2.629 173.461 176.300 -0.351 0.000 1.043 165 R CA -1.472 54.254 56.100 -0.623 0.000 1.083 165 R CB -0.132 29.395 30.300 -1.288 0.000 0.974 165 R HN 0.074 nan 8.270 nan 0.000 0.436 166 P HA -0.116 nan 4.420 nan 0.000 0.258 166 P C 0.140 177.302 177.300 -0.230 0.000 1.187 166 P CA 0.249 63.255 63.100 -0.156 0.000 0.767 166 P CB 0.834 32.495 31.700 -0.065 0.000 0.770 167 V N 3.236 122.996 119.914 -0.256 0.000 3.235 167 V HA 0.255 4.375 4.120 0.000 0.000 0.259 167 V C 0.542 176.502 176.094 -0.224 0.000 1.133 167 V CA 1.572 63.632 62.300 -0.400 0.000 1.128 167 V CB -0.439 31.025 31.823 -0.599 0.000 0.757 167 V HN 0.615 nan 8.190 nan 0.000 0.469 168 A N 0.155 122.952 122.820 -0.037 0.000 2.556 168 A HA 0.786 5.106 4.320 0.000 0.000 0.294 168 A C -0.535 177.178 177.584 0.215 0.000 1.091 168 A CA -0.851 51.280 52.037 0.156 0.000 0.704 168 A CB 1.404 20.539 19.000 0.224 0.000 1.300 168 A HN 0.303 nan 8.150 nan 0.000 0.406 169 R N 1.572 122.132 120.500 0.100 0.000 2.514 169 R HA 0.625 4.965 4.340 0.000 0.000 0.301 169 R C -2.883 173.109 176.300 -0.514 0.000 0.962 169 R CA -1.932 54.100 56.100 -0.113 0.000 0.882 169 R CB 2.029 32.263 30.300 -0.110 0.000 1.143 169 R HN 0.490 nan 8.270 nan 0.000 0.452 170 P HA 0.120 nan 4.420 nan 0.000 0.287 170 P C -0.833 176.173 177.300 -0.489 0.000 1.294 170 P CA -0.327 62.096 63.100 -1.129 0.000 0.776 170 P CB 0.733 31.615 31.700 -1.363 0.000 0.889 171 H N 3.808 122.796 119.070 -0.137 0.000 2.930 171 H HA 0.142 4.698 4.556 0.000 0.000 0.307 171 H C 0.329 175.697 175.328 0.067 0.000 1.247 171 H CA 0.034 56.082 56.048 -0.001 0.000 1.181 171 H CB -1.242 28.561 29.762 0.068 0.000 1.390 171 H HN 0.421 nan 8.280 nan 0.000 0.549 172 F N -0.710 119.213 119.950 -0.046 0.000 2.556 172 F HA 0.746 5.273 4.527 0.000 0.000 0.327 172 F C -0.514 175.284 175.800 -0.004 0.000 1.059 172 F CA -1.392 56.579 58.000 -0.049 0.000 0.953 172 F CB 1.601 40.527 39.000 -0.123 0.000 1.227 172 F HN -0.245 nan 8.300 nan 0.000 0.478 173 R N 2.447 122.937 120.500 -0.017 0.000 2.651 173 R HA 0.556 4.896 4.340 0.000 0.000 0.278 173 R C -1.628 174.722 176.300 0.084 0.000 1.010 173 R CA -0.963 55.075 56.100 -0.102 0.000 0.896 173 R CB 2.508 32.831 30.300 0.039 0.000 1.211 173 R HN 0.713 nan 8.270 nan 0.000 0.456 174 L N 2.431 123.690 121.223 0.061 0.000 2.326 174 L HA 0.423 4.763 4.340 0.000 0.000 0.278 174 L C 0.774 177.682 176.870 0.062 0.000 1.092 174 L CA -0.478 54.429 54.840 0.112 0.000 0.810 174 L CB 0.850 42.975 42.059 0.111 0.000 1.153 174 L HN 0.394 nan 8.230 nan 0.000 0.439 175 R N 2.016 122.549 120.500 0.054 0.000 2.570 175 R HA 0.011 4.351 4.340 0.000 0.000 0.277 175 R C 0.883 177.203 176.300 0.034 0.000 1.039 175 R CA 0.266 56.388 56.100 0.037 0.000 1.065 175 R CB 0.578 30.889 30.300 0.018 0.000 0.964 175 R HN 0.629 nan 8.270 nan 0.000 0.428 176 R N 2.484 123.005 120.500 0.034 0.000 2.191 176 R HA 0.096 4.436 4.340 0.000 0.000 0.196 176 R C 0.294 176.607 176.300 0.022 0.000 0.991 176 R CA 0.147 56.264 56.100 0.028 0.000 1.075 176 R CB 0.326 30.645 30.300 0.031 0.000 1.040 176 R HN 0.511 nan 8.270 nan 0.000 0.526 177 R N -0.322 120.192 120.500 0.023 0.000 2.445 177 R HA 0.450 4.790 4.340 0.000 0.000 0.308 177 R C -0.855 175.449 176.300 0.007 0.000 0.961 177 R CA 0.349 56.459 56.100 0.017 0.000 0.862 177 R CB 1.810 32.123 30.300 0.022 0.000 1.144 177 R HN 0.227 nan 8.270 nan 0.000 0.447 178 A N 3.534 126.356 122.820 0.002 0.000 2.474 178 A HA 0.106 4.426 4.320 0.000 0.000 0.221 178 A C 0.241 177.821 177.584 -0.007 0.000 1.298 178 A CA -0.248 51.783 52.037 -0.009 0.000 1.008 178 A CB 0.144 19.137 19.000 -0.012 0.000 1.217 178 A HN 0.754 nan 8.150 nan 0.000 0.553 179 E N 0.376 120.579 120.200 0.005 0.000 2.398 179 E HA 0.395 4.745 4.350 0.000 0.000 0.263 179 E C 0.743 177.352 176.600 0.015 0.000 1.046 179 E CA 0.224 56.631 56.400 0.012 0.000 0.908 179 E CB 0.676 30.391 29.700 0.024 0.000 0.963 179 E HN 0.345 nan 8.360 nan 0.000 0.431 180 G N 2.403 111.213 108.800 0.016 0.000 2.588 180 G HA2 0.050 4.010 3.960 0.000 0.000 0.281 180 G HA3 0.050 4.010 3.960 0.000 0.000 0.281 180 G C -0.593 174.332 174.900 0.042 0.000 1.236 180 G CA -0.519 44.590 45.100 0.015 0.000 0.969 180 G HN 0.701 nan 8.290 nan 0.000 0.504 181 E N -0.711 119.510 120.200 0.036 0.000 2.384 181 E HA 0.085 4.435 4.350 0.000 0.000 0.266 181 E C -0.699 175.956 176.600 0.092 0.000 1.012 181 E CA -0.596 55.843 56.400 0.065 0.000 0.901 181 E CB 0.378 30.102 29.700 0.039 0.000 0.967 181 E HN 0.189 nan 8.360 nan 0.000 0.435 182 F N 4.097 124.044 119.950 -0.005 0.000 2.578 182 F HA 0.004 4.531 4.527 0.000 0.000 0.381 182 F C 0.399 176.196 175.800 -0.005 0.000 1.069 182 F CA 0.478 58.475 58.000 -0.005 0.000 1.231 182 F CB 0.044 39.042 39.000 -0.003 0.000 1.086 182 F HN 0.767 nan 8.300 nan 0.000 0.564 183 E N 3.279 123.033 120.200 -0.743 0.000 2.297 183 E HA -0.104 4.246 4.350 0.000 0.000 0.228 183 E C -0.760 175.698 176.600 -0.236 0.000 1.213 183 E CA 0.624 56.684 56.400 -0.567 0.000 0.712 183 E CB -1.360 27.923 29.700 -0.695 0.000 1.202 183 E HN 0.876 nan 8.360 nan 0.000 0.376 184 A N 0.859 123.587 122.820 -0.153 0.000 1.481 184 A HA 0.354 4.674 4.320 0.000 0.000 0.235 184 A C -0.933 176.621 177.584 -0.050 0.000 0.954 184 A CA -0.619 51.371 52.037 -0.080 0.000 0.760 184 A CB 0.748 19.718 19.000 -0.051 0.000 0.729 184 A HN 0.101 nan 8.150 nan 0.000 0.325 185 R N 1.847 122.319 120.500 -0.047 0.000 2.278 185 R HA 0.681 5.021 4.340 0.000 0.000 0.322 185 R C 0.097 176.379 176.300 -0.030 0.000 1.058 185 R CA 0.624 56.703 56.100 -0.035 0.000 0.991 185 R CB 0.435 30.712 30.300 -0.038 0.000 1.140 185 R HN 1.183 nan 8.270 nan 0.000 0.518 186 S N 2.080 117.765 115.700 -0.024 0.000 2.704 186 S HA 0.512 4.982 4.470 0.000 0.000 0.305 186 S C -0.729 173.857 174.600 -0.024 0.000 1.107 186 S CA -0.841 57.346 58.200 -0.021 0.000 0.993 186 S CB 1.825 65.016 63.200 -0.014 0.000 1.110 186 S HN 0.598 nan 8.310 nan 0.000 0.534 187 Q N 0.179 119.965 119.800 -0.024 0.000 2.290 187 Q HA 0.548 4.888 4.340 0.000 0.000 0.269 187 Q C -0.703 175.286 176.000 -0.018 0.000 1.016 187 Q CA -0.332 55.453 55.803 -0.030 0.000 0.754 187 Q CB 1.497 30.211 28.738 -0.040 0.000 1.247 187 Q HN 1.045 nan 8.270 nan 0.000 0.451 188 S N 1.505 117.196 115.700 -0.014 0.000 2.551 188 S HA 0.375 4.845 4.470 0.000 0.000 0.236 188 S C 0.354 174.958 174.600 0.008 0.000 0.915 188 S CA 0.276 58.477 58.200 0.000 0.000 1.525 188 S CB 0.711 63.914 63.200 0.005 0.000 1.256 188 S HN 0.721 nan 8.310 nan 0.000 0.641 189 A N 0.263 123.081 122.820 -0.003 0.000 2.487 189 A HA 0.857 5.177 4.320 0.000 0.000 0.192 189 A C 0.313 177.887 177.584 -0.017 0.000 1.709 189 A CA 0.626 52.666 52.037 0.006 0.000 1.105 189 A CB -0.040 18.974 19.000 0.023 0.000 1.081 189 A HN 1.921 nan 8.150 nan 0.000 0.445 193 T N -1.831 112.619 114.554 -0.173 0.000 2.862 193 T HA 0.887 5.237 4.350 0.000 0.000 0.276 193 T C 0.158 174.634 174.700 -0.374 0.000 0.974 193 T CA -0.274 61.669 62.100 -0.261 0.000 0.966 193 T CB 2.203 70.883 68.868 -0.314 0.000 1.072 193 T HN 0.332 nan 8.240 nan 0.000 0.538 194 A N 0.209 122.764 122.820 -0.441 0.000 2.566 194 A HA 0.764 5.084 4.320 0.000 0.000 0.292 194 A C -1.768 175.492 177.584 -0.540 0.000 1.112 194 A CA -1.140 50.626 52.037 -0.453 0.000 0.707 194 A CB 1.067 19.944 19.000 -0.205 0.000 1.302 194 A HN 0.853 nan 8.150 nan 0.000 0.409 195 Y N -0.471 119.716 120.300 -0.188 0.000 2.598 195 Y HA 0.640 5.190 4.550 0.000 0.000 0.340 195 Y C 1.087 176.920 175.900 -0.110 0.000 1.038 195 Y CA -0.259 57.728 58.100 -0.188 0.000 1.100 195 Y CB 2.158 40.432 38.460 -0.311 0.000 1.281 195 Y HN 0.797 nan 8.280 nan 0.000 0.488 196 T N -2.543 112.086 114.554 0.125 0.000 2.927 196 T HA 0.306 4.656 4.350 0.000 0.000 0.281 196 T C -2.325 172.456 174.700 0.134 0.000 0.998 196 T CA -2.264 59.913 62.100 0.128 0.000 1.019 196 T CB 1.671 70.577 68.868 0.063 0.000 1.061 196 T HN 0.278 nan 8.240 nan 0.000 0.518 197 P HA 0.026 nan 4.420 nan 0.000 0.219 197 P C 1.591 178.874 177.300 -0.027 0.000 1.146 197 P CA 0.790 63.987 63.100 0.162 0.000 0.808 197 P CB -0.111 31.675 31.700 0.144 0.000 0.779 198 L N -0.714 120.499 121.223 -0.016 0.000 2.093 198 L HA -0.168 4.172 4.340 0.000 0.000 0.208 198 L C 1.926 178.709 176.870 -0.145 0.000 1.085 198 L CA 1.427 56.220 54.840 -0.078 0.000 0.755 198 L CB -1.014 41.029 42.059 -0.026 0.000 0.904 198 L HN -0.020 nan 8.230 nan 0.000 0.435 199 D N -0.120 120.209 120.400 -0.117 0.000 2.117 199 D HA -0.141 4.499 4.640 0.000 0.000 0.197 199 D C 2.359 178.431 176.300 -0.379 0.000 0.987 199 D CA 1.110 55.012 54.000 -0.163 0.000 0.829 199 D CB -0.218 40.572 40.800 -0.018 0.000 0.961 199 D HN 0.120 nan 8.370 nan 0.000 0.460 200 V N 1.495 121.121 119.914 -0.481 0.000 2.358 200 V HA -0.196 3.924 4.120 0.000 0.000 0.246 200 V C 2.564 178.227 176.094 -0.718 0.000 1.047 200 V CA 1.685 63.553 62.300 -0.721 0.000 1.035 200 V CB -0.797 30.696 31.823 -0.550 0.000 0.658 200 V HN 0.174 nan 8.190 nan 0.000 0.452 201 A N -0.773 121.666 122.820 -0.635 0.000 1.940 201 A HA -0.319 4.002 4.320 0.000 0.000 0.219 201 A C 2.264 179.573 177.584 -0.459 0.000 1.176 201 A CA 2.185 53.628 52.037 -0.990 0.000 0.631 201 A CB -0.555 17.789 19.000 -1.093 0.000 0.814 201 A HN 0.601 nan 8.150 nan 0.000 0.446 202 Q N -0.635 118.983 119.800 -0.304 0.000 2.084 202 Q HA -0.126 4.214 4.340 0.000 0.000 0.202 202 Q C 2.201 178.117 176.000 -0.139 0.000 0.978 202 Q CA 1.485 57.198 55.803 -0.150 0.000 0.844 202 Q CB -0.327 28.336 28.738 -0.126 0.000 0.898 202 Q HN 0.613 nan 8.270 nan 0.000 0.426 203 A N -0.170 122.483 122.820 -0.279 0.000 1.972 203 A HA -0.157 4.163 4.320 0.000 0.000 0.219 203 A C 1.304 178.839 177.584 -0.081 0.000 1.169 203 A CA 1.044 52.919 52.037 -0.270 0.000 0.635 203 A CB -0.737 17.958 19.000 -0.509 0.000 0.810 203 A HN 0.612 nan 8.150 nan 0.000 0.446 204 Y N -0.463 119.822 120.300 -0.026 0.000 2.470 204 Y HA 0.124 4.674 4.550 0.000 0.000 0.284 204 Y C 0.268 176.291 175.900 0.204 0.000 1.188 204 Y CA -0.126 58.048 58.100 0.124 0.000 1.269 204 Y CB -0.198 38.444 38.460 0.303 0.000 1.094 204 Y HN 0.431 nan 8.280 nan 0.000 0.518 205 Q N -0.158 119.792 119.800 0.249 0.000 2.435 205 Q HA -0.237 4.103 4.340 0.000 0.000 0.312 205 Q C -0.790 175.387 176.000 0.294 0.000 1.333 205 Q CA 0.078 55.998 55.803 0.195 0.000 0.883 205 Q CB -1.804 27.006 28.738 0.121 0.000 1.170 205 Q HN 0.324 nan 8.270 nan 0.000 0.443 206 F N 1.701 121.690 119.950 0.066 0.000 2.563 206 F HA 0.108 4.635 4.527 0.000 0.000 0.363 206 F C -1.252 174.561 175.800 0.022 0.000 1.123 206 F CA -1.805 56.228 58.000 0.055 0.000 1.307 206 F CB -0.034 39.012 39.000 0.077 0.000 1.115 206 F HN 0.075 nan 8.300 nan 0.000 0.592 207 P HA 0.064 nan 4.420 nan 0.000 0.271 207 P C -0.779 176.575 177.300 0.089 0.000 1.216 207 P CA 0.002 63.138 63.100 0.061 0.000 0.771 207 P CB 0.804 32.499 31.700 -0.008 0.000 0.864 208 E N 0.801 121.040 120.200 0.065 0.000 2.267 208 E HA 0.490 4.840 4.350 0.000 0.000 0.258 208 E C 0.843 177.466 176.600 0.037 0.000 1.074 208 E CA -0.639 55.797 56.400 0.060 0.000 0.915 208 E CB 0.428 30.157 29.700 0.049 0.000 1.186 208 E HN 0.661 nan 8.360 nan 0.000 0.439 209 G N 0.393 109.213 108.800 0.033 0.000 2.143 209 G HA2 -0.256 3.704 3.960 0.000 0.000 0.249 209 G HA3 -0.256 3.704 3.960 0.000 0.000 0.249 209 G C -0.248 174.665 174.900 0.021 0.000 0.981 209 G CA 0.129 45.242 45.100 0.022 0.000 0.665 209 G HN 0.218 nan 8.290 nan 0.000 0.528 210 L N 0.224 121.467 121.223 0.032 0.000 2.408 210 L HA 0.619 4.959 4.340 0.000 0.000 0.268 210 L C 0.037 176.932 176.870 0.042 0.000 0.986 210 L CA -0.482 54.376 54.840 0.030 0.000 0.820 210 L CB 2.037 44.111 42.059 0.024 0.000 1.303 210 L HN 0.179 nan 8.230 nan 0.000 0.411 211 D N 0.040 120.459 120.400 0.031 0.000 2.527 211 D HA 0.183 4.823 4.640 0.000 0.000 0.224 211 D C 1.039 177.355 176.300 0.028 0.000 1.217 211 D CA 0.405 54.426 54.000 0.034 0.000 0.819 211 D CB 1.058 41.869 40.800 0.018 0.000 1.061 211 D HN 0.696 nan 8.370 nan 0.000 0.515 212 G N 1.302 110.116 108.800 0.023 0.000 2.159 212 G HA2 -0.339 3.621 3.960 0.000 0.000 0.256 212 G HA3 -0.339 3.621 3.960 0.000 0.000 0.256 212 G C 0.171 175.078 174.900 0.011 0.000 0.977 212 G CA 0.261 45.371 45.100 0.018 0.000 0.652 212 G HN 0.726 nan 8.290 nan 0.000 0.531 213 Q N -0.705 119.100 119.800 0.008 0.000 2.304 213 Q HA 0.384 4.724 4.340 0.000 0.000 0.301 213 Q C 1.348 177.354 176.000 0.009 0.000 1.063 213 Q CA 0.645 56.452 55.803 0.006 0.000 0.947 213 Q CB 0.841 29.581 28.738 0.004 0.000 1.201 213 Q HN 1.721 nan 8.270 nan 0.000 0.389 214 G N 1.397 110.204 108.800 0.012 0.000 2.217 214 G HA2 -0.216 3.744 3.960 0.000 0.000 0.246 214 G HA3 -0.216 3.744 3.960 0.000 0.000 0.246 214 G C -0.096 174.815 174.900 0.019 0.000 0.990 214 G CA 0.115 45.224 45.100 0.015 0.000 0.627 214 G HN 0.603 nan 8.290 nan 0.000 0.522 215 Q N -0.273 119.538 119.800 0.018 0.000 2.226 215 Q HA 0.624 4.964 4.340 0.000 0.000 0.256 215 Q C -0.243 175.774 176.000 0.029 0.000 0.962 215 Q CA -0.377 55.438 55.803 0.020 0.000 0.887 215 Q CB 2.079 30.826 28.738 0.014 0.000 1.282 215 Q HN 0.608 nan 8.270 nan 0.000 0.449 216 C N 3.291 122.613 119.300 0.037 0.000 2.364 216 C HA 0.640 5.100 4.460 0.000 0.000 0.324 216 C C -0.560 174.462 174.990 0.053 0.000 1.234 216 C CA -0.571 58.481 59.018 0.056 0.000 1.417 216 C CB -0.524 27.271 27.740 0.092 0.000 2.101 216 C HN 0.764 nan 8.230 nan 0.000 0.466 217 I N 6.058 126.658 120.570 0.049 0.000 2.312 217 I HA 0.454 4.624 4.170 0.000 0.000 0.290 217 I C 0.792 176.954 176.117 0.075 0.000 1.008 217 I CA 0.004 61.332 61.300 0.047 0.000 1.226 217 I CB 1.382 39.404 38.000 0.036 0.000 1.371 217 I HN 0.834 nan 8.210 nan 0.000 0.468 218 A N 8.220 131.094 122.820 0.091 0.000 2.328 218 A HA 0.731 5.051 4.320 0.000 0.000 0.284 218 A C -0.360 177.288 177.584 0.107 0.000 1.160 218 A CA -0.293 51.846 52.037 0.170 0.000 0.818 218 A CB 0.264 19.291 19.000 0.046 0.000 1.087 218 A HN 0.699 nan 8.150 nan 0.000 0.504 219 I N 3.836 124.490 120.570 0.140 0.000 2.418 219 I HA 0.268 4.438 4.170 0.000 0.000 0.287 219 I C -0.696 175.463 176.117 0.069 0.000 1.008 219 I CA -0.644 60.700 61.300 0.072 0.000 1.104 219 I CB 1.592 39.601 38.000 0.015 0.000 1.264 219 I HN 0.412 nan 8.210 nan 0.000 0.438 220 I N 5.875 126.486 120.570 0.069 0.000 2.342 220 I HA 0.335 4.505 4.170 0.000 0.000 0.291 220 I C 0.121 176.188 176.117 -0.085 0.000 1.010 220 I CA -0.296 61.014 61.300 0.017 0.000 1.308 220 I CB 0.871 38.939 38.000 0.112 0.000 1.400 220 I HN 0.518 nan 8.210 nan 0.000 0.488 221 E N 6.849 126.874 120.200 -0.291 0.000 2.256 221 E HA 0.394 4.744 4.350 0.000 0.000 0.268 221 E C -0.196 176.041 176.600 -0.605 0.000 0.877 221 E CA -0.525 55.653 56.400 -0.370 0.000 0.757 221 E CB 2.805 32.316 29.700 -0.315 0.000 1.183 221 E HN 0.462 nan 8.360 nan 0.000 0.418 222 L N 0.938 121.404 121.223 -1.262 0.000 2.965 222 L HA 0.478 4.818 4.340 0.000 0.000 0.254 222 L C 0.641 177.134 176.870 -0.627 0.000 1.220 222 L CA -0.257 53.908 54.840 -1.125 0.000 1.023 222 L CB 0.515 41.583 42.059 -1.652 0.000 1.355 222 L HN 0.588 nan 8.230 nan 0.000 0.545 223 G N -1.817 106.890 108.800 -0.156 0.000 2.328 223 G HA2 0.440 4.400 3.960 0.000 0.000 0.295 223 G HA3 0.440 4.400 3.960 0.000 0.000 0.295 223 G C -0.237 174.842 174.900 0.298 0.000 1.413 223 G CA -0.033 45.145 45.100 0.129 0.000 0.817 223 G HN 0.239 nan 8.290 nan 0.000 0.546 224 G N -1.114 107.806 108.800 0.200 0.000 2.575 224 G HA2 0.500 4.460 3.960 0.000 0.000 0.267 224 G HA3 0.500 4.460 3.960 0.000 0.000 0.267 224 G C 0.820 175.788 174.900 0.113 0.000 1.264 224 G CA 1.174 46.373 45.100 0.164 0.000 0.935 224 G HN 2.721 nan 8.290 nan 0.000 0.568 225 G N -2.762 106.117 108.800 0.132 0.000 2.428 225 G HA2 0.833 4.793 3.960 0.000 0.000 0.304 225 G HA3 0.833 4.793 3.960 0.000 0.000 0.304 225 G C -1.071 173.919 174.900 0.150 0.000 1.303 225 G CA 0.262 45.389 45.100 0.044 0.000 0.825 225 G HN 2.155 nan 8.290 nan 0.000 0.484 226 Y N -0.325 120.030 120.300 0.093 0.000 2.570 226 Y HA 0.800 5.350 4.550 0.000 0.000 0.345 226 Y C -0.800 175.119 175.900 0.032 0.000 1.014 226 Y CA -1.438 56.701 58.100 0.065 0.000 1.063 226 Y CB 1.954 40.472 38.460 0.096 0.000 1.272 226 Y HN 0.624 nan 8.280 nan 0.000 0.477 227 D N 0.973 121.502 120.400 0.215 0.000 2.481 227 D HA 0.162 4.802 4.640 0.000 0.000 0.244 227 D C -0.090 176.346 176.300 0.225 0.000 1.057 227 D CA -0.612 53.462 54.000 0.124 0.000 0.848 227 D CB 2.188 43.021 40.800 0.055 0.000 1.388 227 D HN 0.688 nan 8.370 nan 0.000 0.475 228 E N 1.181 121.497 120.200 0.194 0.000 2.153 228 E HA -0.110 4.240 4.350 0.000 0.000 0.194 228 E C 1.619 178.301 176.600 0.138 0.000 0.988 228 E CA 1.226 57.741 56.400 0.192 0.000 0.811 228 E CB -0.279 29.511 29.700 0.150 0.000 0.746 228 E HN 0.585 nan 8.360 nan 0.000 0.466 229 T N 0.965 115.579 114.554 0.100 0.000 2.737 229 T HA -0.089 4.261 4.350 0.000 0.000 0.265 229 T C 2.165 176.912 174.700 0.077 0.000 1.038 229 T CA 1.413 63.560 62.100 0.077 0.000 1.144 229 T CB -0.153 68.747 68.868 0.053 0.000 0.866 229 T HN 0.082 nan 8.240 nan 0.000 0.434 230 S N 1.283 117.027 115.700 0.074 0.000 2.359 230 S HA 0.005 4.475 4.470 0.000 0.000 0.224 230 S C 2.051 176.683 174.600 0.053 0.000 1.035 230 S CA 0.941 59.172 58.200 0.053 0.000 1.018 230 S CB -0.498 62.725 63.200 0.039 0.000 0.876 230 S HN 0.350 nan 8.310 nan 0.000 0.448 231 L N 1.052 122.325 121.223 0.083 0.000 1.994 231 L HA -0.146 4.194 4.340 0.000 0.000 0.208 231 L C 2.860 179.850 176.870 0.199 0.000 1.071 231 L CA 1.329 56.229 54.840 0.100 0.000 0.745 231 L CB -0.861 41.315 42.059 0.196 0.000 0.892 231 L HN 0.325 nan 8.230 nan 0.000 0.431 232 A N -0.277 122.665 122.820 0.205 0.000 1.908 232 A HA -0.306 4.014 4.320 0.000 0.000 0.218 232 A C 2.288 179.953 177.584 0.135 0.000 1.181 232 A CA 2.072 54.230 52.037 0.202 0.000 0.627 232 A CB -0.694 18.387 19.000 0.134 0.000 0.818 232 A HN 0.542 nan 8.150 nan 0.000 0.445 233 Q N -1.952 117.897 119.800 0.082 0.000 2.084 233 Q HA -0.242 4.098 4.340 0.000 0.000 0.202 233 Q C 1.955 177.949 176.000 -0.009 0.000 0.978 233 Q CA 2.008 57.834 55.803 0.038 0.000 0.844 233 Q CB -0.373 28.385 28.738 0.034 0.000 0.898 233 Q HN 0.768 nan 8.270 nan 0.000 0.426 234 Y N 0.115 120.326 120.300 -0.148 0.000 2.089 234 Y HA -0.267 4.283 4.550 0.000 0.000 0.282 234 Y C 1.614 177.348 175.900 -0.277 0.000 1.139 234 Y CA 2.117 60.045 58.100 -0.287 0.000 1.123 234 Y CB -0.404 37.746 38.460 -0.516 0.000 0.980 234 Y HN 0.138 nan 8.280 nan 0.000 0.493 235 F N 0.098 120.024 119.950 -0.041 0.000 2.186 235 F HA -0.109 4.418 4.527 0.000 0.000 0.299 235 F C 2.582 178.301 175.800 -0.135 0.000 1.090 235 F CA 1.089 59.023 58.000 -0.112 0.000 1.307 235 F CB -1.292 37.731 39.000 0.037 0.000 1.019 235 F HN 0.171 nan 8.300 nan 0.000 0.489 236 A N -0.735 122.125 122.820 0.068 0.000 1.933 236 A HA -0.154 4.166 4.320 0.000 0.000 0.218 236 A C 2.393 179.947 177.584 -0.050 0.000 1.175 236 A CA 1.926 53.975 52.037 0.020 0.000 0.628 236 A CB -1.039 17.978 19.000 0.028 0.000 0.814 236 A HN 0.294 nan 8.150 nan 0.000 0.444 237 S N -0.422 115.204 115.700 -0.122 0.000 2.423 237 S HA 0.013 4.483 4.470 0.000 0.000 0.231 237 S C 1.551 176.050 174.600 -0.168 0.000 1.014 237 S CA 1.012 59.124 58.200 -0.146 0.000 0.965 237 S CB -0.280 62.811 63.200 -0.183 0.000 0.785 237 S HN 0.525 nan 8.310 nan 0.000 0.495 238 L N 0.303 121.394 121.223 -0.219 0.000 2.509 238 L HA 0.195 4.535 4.340 0.000 0.000 0.222 238 L C 1.515 178.345 176.870 -0.067 0.000 1.123 238 L CA 0.356 55.097 54.840 -0.165 0.000 0.856 238 L CB -0.477 41.465 42.059 -0.196 0.000 0.985 238 L HN 0.460 nan 8.230 nan 0.000 0.456 239 G N 1.438 110.211 108.800 -0.044 0.000 2.225 239 G HA2 -0.217 3.743 3.960 0.000 0.000 0.264 239 G HA3 -0.217 3.743 3.960 0.000 0.000 0.264 239 G C -0.003 174.900 174.900 0.006 0.000 1.060 239 G CA 0.332 45.423 45.100 -0.015 0.000 0.833 239 G HN 0.288 nan 8.290 nan 0.000 0.498 240 V N -3.320 116.614 119.914 0.033 0.000 2.914 240 V HA 0.910 5.030 4.120 0.000 0.000 0.314 240 V C 0.471 176.583 176.094 0.031 0.000 1.084 240 V CA -0.432 61.892 62.300 0.040 0.000 0.963 240 V CB 1.879 33.746 31.823 0.072 0.000 1.025 240 V HN 0.984 nan 8.190 nan 0.000 0.432 241 S N 2.296 117.983 115.700 -0.022 0.000 2.505 241 S HA 0.654 5.124 4.470 0.000 0.000 0.276 241 S C 0.445 174.926 174.600 -0.198 0.000 1.274 241 S CA 0.149 58.310 58.200 -0.065 0.000 1.053 241 S CB 0.175 63.342 63.200 -0.055 0.000 0.919 241 S HN 1.808 nan 8.310 nan 0.000 0.490 242 A N 7.135 129.791 122.820 -0.273 0.000 2.407 242 A HA 0.537 4.857 4.320 0.000 0.000 0.248 242 A C -2.028 175.274 177.584 -0.471 0.000 1.082 242 A CA -1.180 50.448 52.037 -0.682 0.000 0.785 242 A CB -0.211 18.528 19.000 -0.435 0.000 1.020 242 A HN 0.728 nan 8.150 nan 0.000 0.489 243 P HA 0.112 nan 4.420 nan 0.000 0.276 243 P C -0.762 176.431 177.300 -0.178 0.000 1.252 243 P CA -0.442 62.491 63.100 -0.277 0.000 0.802 243 P CB 0.527 32.083 31.700 -0.241 0.000 1.035 244 Q N 0.659 120.401 119.800 -0.096 0.000 2.304 244 Q HA 0.325 4.665 4.340 0.000 0.000 0.260 244 Q C -1.316 174.657 176.000 -0.045 0.000 0.965 244 Q CA -0.286 55.489 55.803 -0.047 0.000 0.898 244 Q CB 0.409 29.138 28.738 -0.015 0.000 1.196 244 Q HN 0.189 nan 8.270 nan 0.000 0.402 245 V N 5.072 124.967 119.914 -0.032 0.000 2.487 245 V HA 0.484 4.604 4.120 0.000 0.000 0.298 245 V C -0.822 175.289 176.094 0.028 0.000 1.028 245 V CA -0.785 61.486 62.300 -0.050 0.000 0.860 245 V CB 1.683 33.412 31.823 -0.157 0.000 0.991 245 V HN 0.646 nan 8.190 nan 0.000 0.427 246 V N 4.420 124.344 119.914 0.017 0.000 2.588 246 V HA 0.659 4.779 4.120 0.000 0.000 0.304 246 V C -0.042 176.060 176.094 0.013 0.000 1.042 246 V CA 0.040 62.364 62.300 0.039 0.000 0.877 246 V CB 2.587 34.415 31.823 0.009 0.000 0.996 246 V HN 0.919 nan 8.190 nan 0.000 0.425 247 S N 4.752 120.521 115.700 0.114 0.000 2.554 247 S HA 0.749 5.219 4.470 0.000 0.000 0.278 247 S C -0.617 173.971 174.600 -0.020 0.000 1.242 247 S CA -0.481 57.816 58.200 0.161 0.000 1.051 247 S CB 1.610 64.976 63.200 0.278 0.000 0.986 247 S HN 0.691 nan 8.310 nan 0.000 0.502 248 V N 2.304 122.158 119.914 -0.100 0.000 2.531 248 V HA 0.473 4.593 4.120 0.000 0.000 0.301 248 V C 0.010 176.134 176.094 0.049 0.000 1.034 248 V CA -0.745 61.453 62.300 -0.168 0.000 0.865 248 V CB 1.906 33.353 31.823 -0.627 0.000 0.995 248 V HN 0.826 nan 8.190 nan 0.000 0.424 249 S N 3.993 119.742 115.700 0.080 0.000 2.475 249 S HA 0.681 5.151 4.470 0.000 0.000 0.281 249 S C -0.662 174.012 174.600 0.123 0.000 1.198 249 S CA -0.362 57.906 58.200 0.113 0.000 1.063 249 S CB 0.924 64.162 63.200 0.064 0.000 0.972 249 S HN 0.521 nan 8.310 nan 0.000 0.486 250 V N 5.097 125.093 119.914 0.136 0.000 2.540 250 V HA 0.392 4.512 4.120 0.000 0.000 0.302 250 V C -0.483 175.665 176.094 0.090 0.000 1.035 250 V CA -0.700 61.672 62.300 0.121 0.000 0.873 250 V CB 1.622 33.524 31.823 0.132 0.000 0.992 250 V HN 1.006 nan 8.190 nan 0.000 0.428 251 D N 3.974 124.423 120.400 0.082 0.000 2.751 251 D HA -0.197 4.443 4.640 0.000 0.000 0.233 251 D C 1.334 177.668 176.300 0.056 0.000 1.149 251 D CA 1.874 55.915 54.000 0.069 0.000 0.682 251 D CB -1.137 39.698 40.800 0.059 0.000 1.068 251 D HN 1.459 nan 8.370 nan 0.000 0.429 252 G N -1.646 107.187 108.800 0.056 0.000 2.205 252 G HA2 -0.165 3.795 3.960 0.000 0.000 0.261 252 G HA3 -0.165 3.795 3.960 0.000 0.000 0.261 252 G C 0.533 175.447 174.900 0.024 0.000 0.980 252 G CA 0.705 45.827 45.100 0.037 0.000 0.632 252 G HN 1.254 nan 8.290 nan 0.000 0.533 253 A N 0.160 123.003 122.820 0.039 0.000 2.371 253 A HA 0.834 5.154 4.320 0.000 0.000 0.257 253 A C 0.746 178.337 177.584 0.012 0.000 1.089 253 A CA 1.304 53.358 52.037 0.028 0.000 0.794 253 A CB 0.612 19.652 19.000 0.066 0.000 1.029 253 A HN 1.840 nan 8.150 nan 0.000 0.488 254 T N -1.033 113.454 114.554 -0.111 0.000 2.804 254 T HA 0.441 4.791 4.350 0.000 0.000 0.290 254 T C -0.331 173.901 174.700 -0.780 0.000 1.099 254 T CA -0.892 61.046 62.100 -0.270 0.000 1.011 254 T CB 0.847 69.595 68.868 -0.200 0.000 1.291 254 T HN 0.511 nan 8.240 nan 0.000 0.523 255 N N 1.524 119.610 118.700 -1.022 0.000 2.400 255 N HA 0.111 4.851 4.740 0.000 0.000 0.267 255 N C -0.668 174.410 175.510 -0.720 0.000 1.208 255 N CA 0.154 52.361 53.050 -1.405 0.000 0.951 255 N CB -0.209 37.713 38.487 -0.941 0.000 1.227 255 N HN 0.704 nan 8.380 nan 0.000 0.488 256 Q N 4.553 124.008 119.800 -0.575 0.000 2.771 256 Q HA 0.389 4.729 4.340 0.000 0.000 0.247 256 Q C -2.596 173.304 176.000 -0.168 0.000 0.986 256 Q CA -1.954 53.675 55.803 -0.291 0.000 0.713 256 Q CB 1.216 29.828 28.738 -0.210 0.000 1.241 256 Q HN 0.398 nan 8.270 nan 0.000 0.488 257 P HA -0.026 nan 4.420 nan 0.000 0.267 257 P C 0.373 177.656 177.300 -0.028 0.000 1.200 257 P CA 0.304 63.371 63.100 -0.054 0.000 0.772 257 P CB 1.028 32.696 31.700 -0.053 0.000 0.855 258 T N -1.726 112.833 114.554 0.008 0.000 2.990 258 T HA 0.298 4.648 4.350 0.000 0.000 0.250 258 T C 1.337 176.048 174.700 0.019 0.000 1.041 258 T CA 0.634 62.743 62.100 0.015 0.000 1.010 258 T CB -0.501 68.390 68.868 0.038 0.000 1.003 258 T HN 0.592 nan 8.240 nan 0.000 0.499 259 G N 1.329 110.142 108.800 0.023 0.000 2.195 259 G HA2 -0.173 3.787 3.960 0.000 0.000 0.246 259 G HA3 -0.173 3.787 3.960 0.000 0.000 0.246 259 G C -0.418 174.503 174.900 0.034 0.000 0.984 259 G CA 0.001 45.114 45.100 0.023 0.000 0.633 259 G HN 0.576 nan 8.290 nan 0.000 0.525 260 D N 1.402 121.830 120.400 0.047 0.000 2.339 260 D HA 0.398 5.038 4.640 0.000 0.000 0.241 260 D C -0.571 175.777 176.300 0.079 0.000 1.183 260 D CA -1.537 52.499 54.000 0.060 0.000 0.859 260 D CB 1.728 42.568 40.800 0.068 0.000 1.067 260 D HN 0.168 nan 8.370 nan 0.000 0.484 261 P HA -0.135 nan 4.420 nan 0.000 0.220 261 P C 0.792 178.207 177.300 0.191 0.000 1.148 261 P CA 0.807 63.964 63.100 0.095 0.000 0.803 261 P CB 0.592 32.336 31.700 0.072 0.000 0.782 262 N N -0.275 118.533 118.700 0.179 0.000 2.270 262 N HA 0.103 4.843 4.740 0.000 0.000 0.198 262 N C 0.907 176.555 175.510 0.231 0.000 1.117 262 N CA -0.053 53.121 53.050 0.208 0.000 0.845 262 N CB -0.157 38.362 38.487 0.054 0.000 0.980 262 N HN 0.010 nan 8.380 nan 0.000 0.486 263 G N -0.018 108.919 108.800 0.228 0.000 2.531 263 G HA2 0.209 4.169 3.960 0.000 0.000 0.281 263 G HA3 0.209 4.169 3.960 0.000 0.000 0.281 263 G C -1.487 173.571 174.900 0.264 0.000 1.382 263 G CA -0.793 44.426 45.100 0.200 0.000 1.045 263 G HN 0.016 nan 8.290 nan 0.000 0.533 264 P HA -0.100 nan 4.420 nan 0.000 0.219 264 P C 0.574 177.968 177.300 0.158 0.000 1.146 264 P CA 1.166 64.429 63.100 0.271 0.000 0.808 264 P CB 0.202 32.160 31.700 0.430 0.000 0.779 265 D N 0.376 120.845 120.400 0.114 0.000 2.149 265 D HA -0.123 4.517 4.640 0.000 0.000 0.198 265 D C 2.395 178.641 176.300 -0.090 0.000 0.990 265 D CA 1.724 55.758 54.000 0.056 0.000 0.839 265 D CB -1.184 39.645 40.800 0.048 0.000 0.948 265 D HN 0.209 nan 8.370 nan 0.000 0.460 266 G N 0.445 109.118 108.800 -0.212 0.000 2.440 266 G HA2 -0.314 3.646 3.960 0.000 0.000 0.218 266 G HA3 -0.314 3.646 3.960 0.000 0.000 0.218 266 G C 1.664 175.988 174.900 -0.959 0.000 1.154 266 G CA 0.982 45.709 45.100 -0.621 0.000 0.767 266 G HN 0.245 nan 8.290 nan 0.000 0.552 267 E N 0.166 119.804 120.200 -0.937 0.000 2.047 267 E HA -0.068 4.282 4.350 0.000 0.000 0.191 267 E C 2.716 179.167 176.600 -0.249 0.000 0.987 267 E CA 0.949 56.975 56.400 -0.622 0.000 0.799 267 E CB -0.442 29.023 29.700 -0.393 0.000 0.752 267 E HN 0.181 nan 8.360 nan 0.000 0.449 268 V N 1.027 120.909 119.914 -0.053 0.000 2.287 268 V HA -0.274 3.846 4.120 0.000 0.000 0.248 268 V C 2.164 178.247 176.094 -0.018 0.000 1.053 268 V CA 2.394 64.738 62.300 0.075 0.000 1.027 268 V CB -0.567 31.422 31.823 0.277 0.000 0.646 268 V HN 0.312 nan 8.190 nan 0.000 0.447 269 E N 0.281 120.436 120.200 -0.075 0.000 2.107 269 E HA -0.172 4.178 4.350 0.000 0.000 0.191 269 E C 2.165 178.609 176.600 -0.260 0.000 0.982 269 E CA 1.379 57.699 56.400 -0.134 0.000 0.809 269 E CB -0.236 29.400 29.700 -0.107 0.000 0.756 269 E HN 0.685 nan 8.360 nan 0.000 0.459 270 L N 0.279 121.313 121.223 -0.316 0.000 2.093 270 L HA -0.080 4.260 4.340 0.000 0.000 0.208 270 L C 1.480 178.175 176.870 -0.292 0.000 1.085 270 L CA 1.716 56.346 54.840 -0.350 0.000 0.755 270 L CB -0.378 41.458 42.059 -0.372 0.000 0.904 270 L HN -0.180 nan 8.230 nan 0.000 0.435 271 D N 0.943 121.210 120.400 -0.220 0.000 2.104 271 D HA -0.163 4.477 4.640 0.000 0.000 0.194 271 D C 2.336 178.562 176.300 -0.124 0.000 0.994 271 D CA 2.119 56.031 54.000 -0.148 0.000 0.830 271 D CB -0.238 40.516 40.800 -0.077 0.000 0.959 271 D HN 0.501 nan 8.370 nan 0.000 0.452 272 I N 0.917 121.410 120.570 -0.129 0.000 2.252 272 I HA -0.212 3.959 4.170 0.000 0.000 0.245 272 I C 2.243 178.340 176.117 -0.033 0.000 1.102 272 I CA 1.082 62.329 61.300 -0.088 0.000 1.385 272 I CB -0.219 37.692 38.000 -0.149 0.000 1.064 272 I HN -0.018 nan 8.210 nan 0.000 0.414 273 E N 0.336 120.394 120.200 -0.237 0.000 2.072 273 E HA -0.163 4.187 4.350 0.000 0.000 0.191 273 E C 2.343 178.819 176.600 -0.207 0.000 0.985 273 E CA 1.261 57.374 56.400 -0.478 0.000 0.801 273 E CB -0.047 28.932 29.700 -1.201 0.000 0.750 273 E HN 0.269 nan 8.360 nan 0.000 0.452 274 V N 1.350 121.136 119.914 -0.213 0.000 2.270 274 V HA -0.255 3.865 4.120 0.000 0.000 0.245 274 V C 2.314 178.409 176.094 0.003 0.000 1.043 274 V CA 1.918 64.143 62.300 -0.126 0.000 1.014 274 V CB -0.692 30.966 31.823 -0.275 0.000 0.645 274 V HN 0.322 nan 8.190 nan 0.000 0.447 275 A N 0.429 123.250 122.820 0.002 0.000 1.902 275 A HA -0.071 4.249 4.320 0.000 0.000 0.217 275 A C 2.396 180.044 177.584 0.106 0.000 1.181 275 A CA 1.913 53.983 52.037 0.055 0.000 0.623 275 A CB -1.225 17.792 19.000 0.028 0.000 0.818 275 A HN 0.535 nan 8.150 nan 0.000 0.443 276 G N -0.622 108.270 108.800 0.154 0.000 2.408 276 G HA2 0.048 4.008 3.960 0.000 0.000 0.217 276 G HA3 0.048 4.008 3.960 0.000 0.000 0.217 276 G C 1.684 176.745 174.900 0.269 0.000 1.150 276 G CA 1.291 46.498 45.100 0.178 0.000 0.776 276 G HN 0.778 nan 8.290 nan 0.000 0.542 277 A N 0.281 123.381 122.820 0.466 0.000 1.972 277 A HA 0.170 4.490 4.320 0.000 0.000 0.219 277 A C 2.333 180.043 177.584 0.211 0.000 1.169 277 A CA 1.113 53.406 52.037 0.427 0.000 0.635 277 A CB -0.235 19.015 19.000 0.417 0.000 0.810 277 A HN 0.369 nan 8.150 nan 0.000 0.446 278 L N -2.099 119.228 121.223 0.174 0.000 2.354 278 L HA 0.221 4.561 4.340 0.000 0.000 0.212 278 L C 1.391 178.352 176.870 0.151 0.000 1.091 278 L CA 0.656 55.593 54.840 0.162 0.000 0.828 278 L CB 0.103 42.287 42.059 0.208 0.000 0.973 278 L HN 0.332 nan 8.230 nan 0.000 0.461 279 A N -0.063 122.826 122.820 0.114 0.000 3.248 279 A HA 0.380 4.700 4.320 0.000 0.000 0.315 279 A C -1.819 175.778 177.584 0.022 0.000 0.974 279 A CA -0.814 51.267 52.037 0.072 0.000 0.939 279 A CB -0.160 18.883 19.000 0.072 0.000 1.061 279 A HN -0.059 nan 8.150 nan 0.000 0.481 280 P HA -0.103 nan 4.420 nan 0.000 0.228 280 P C 1.321 178.577 177.300 -0.073 0.000 1.151 280 P CA 1.663 64.714 63.100 -0.082 0.000 0.770 280 P CB 0.135 31.777 31.700 -0.096 0.000 0.786 281 G N -0.378 108.404 108.800 -0.030 0.000 2.777 281 G HA2 0.232 4.192 3.960 0.000 0.000 0.211 281 G HA3 0.232 4.192 3.960 0.000 0.000 0.211 281 G C 0.720 175.611 174.900 -0.014 0.000 1.149 281 G CA 0.289 45.376 45.100 -0.022 0.000 0.785 281 G HN 0.461 nan 8.290 nan 0.000 0.536 282 A N 0.176 122.990 122.820 -0.010 0.000 2.340 282 A HA 0.566 4.886 4.320 0.000 0.000 0.268 282 A C 0.363 177.944 177.584 -0.006 0.000 1.100 282 A CA -0.489 51.549 52.037 0.001 0.000 0.803 282 A CB 0.562 19.570 19.000 0.013 0.000 1.043 282 A HN 0.211 nan 8.150 nan 0.000 0.488 283 K N 2.095 122.502 120.400 0.012 0.000 2.276 283 K HA 0.360 4.680 4.320 0.000 0.000 0.283 283 K C -0.924 175.685 176.600 0.015 0.000 1.044 283 K CA -0.412 55.885 56.287 0.016 0.000 0.944 283 K CB 0.303 32.833 32.500 0.050 0.000 1.012 283 K HN 0.523 nan 8.250 nan 0.000 0.472 284 I N 3.685 124.249 120.570 -0.010 0.000 2.312 284 I HA 0.254 4.424 4.170 0.000 0.000 0.290 284 I C -0.029 176.063 176.117 -0.042 0.000 1.008 284 I CA -0.596 60.692 61.300 -0.020 0.000 1.226 284 I CB 0.709 38.679 38.000 -0.050 0.000 1.371 284 I HN 0.638 nan 8.210 nan 0.000 0.468 285 A N 7.258 130.057 122.820 -0.035 0.000 2.273 285 A HA 0.677 4.997 4.320 0.000 0.000 0.315 285 A C -0.470 177.019 177.584 -0.158 0.000 1.256 285 A CA -0.494 51.436 52.037 -0.177 0.000 0.851 285 A CB 0.907 19.774 19.000 -0.221 0.000 1.172 285 A HN 0.423 nan 8.150 nan 0.000 0.508 286 V N 3.684 123.451 119.914 -0.245 0.000 2.347 286 V HA 0.253 4.373 4.120 0.000 0.000 0.280 286 V C -1.113 174.732 176.094 -0.415 0.000 1.021 286 V CA -0.355 61.806 62.300 -0.232 0.000 0.847 286 V CB 0.191 31.928 31.823 -0.143 0.000 0.990 286 V HN 0.713 nan 8.190 nan 0.000 0.444 287 Y N 4.740 124.857 120.300 -0.305 0.000 2.404 287 Y HA 0.550 5.100 4.550 0.000 0.000 0.344 287 Y C -0.080 175.616 175.900 -0.340 0.000 0.970 287 Y CA -0.814 57.161 58.100 -0.209 0.000 1.180 287 Y CB 0.659 39.055 38.460 -0.106 0.000 1.138 287 Y HN 0.502 nan 8.280 nan 0.000 0.510 288 F N 2.484 122.468 119.950 0.057 0.000 2.408 288 F HA 0.717 5.244 4.527 0.000 0.000 0.344 288 F C 0.392 176.182 175.800 -0.016 0.000 1.112 288 F CA -0.502 57.495 58.000 -0.005 0.000 1.096 288 F CB 1.157 40.143 39.000 -0.023 0.000 1.129 288 F HN 0.527 nan 8.300 nan 0.000 0.486 289 A N 4.220 127.084 122.820 0.073 0.000 2.594 289 A HA 0.844 5.164 4.320 0.000 0.000 0.291 289 A C -2.992 174.558 177.584 -0.056 0.000 1.105 289 A CA -2.003 50.045 52.037 0.018 0.000 0.694 289 A CB 1.499 20.501 19.000 0.003 0.000 1.291 289 A HN 0.411 nan 8.150 nan 0.000 0.410 290 P HA 0.146 nan 4.420 nan 0.000 0.272 290 P C -0.592 176.628 177.300 -0.133 0.000 1.223 290 P CA -0.201 62.862 63.100 -0.061 0.000 0.784 290 P CB 0.418 32.109 31.700 -0.015 0.000 0.923 291 N N 1.926 120.529 118.700 -0.161 0.000 3.050 291 N HA 0.094 4.834 4.740 0.000 0.000 0.289 291 N C -0.848 174.579 175.510 -0.138 0.000 1.209 291 N CA 0.104 53.022 53.050 -0.221 0.000 1.154 291 N CB -0.828 37.542 38.487 -0.196 0.000 1.444 291 N HN 0.398 nan 8.380 nan 0.000 0.529 292 T N -1.908 112.587 114.554 -0.099 0.000 2.841 292 T HA 0.246 4.596 4.350 0.000 0.000 0.296 292 T C 0.902 175.590 174.700 -0.020 0.000 1.166 292 T CA -0.763 61.290 62.100 -0.077 0.000 1.007 292 T CB 1.158 70.010 68.868 -0.027 0.000 1.253 292 T HN 0.089 nan 8.240 nan 0.000 0.511 293 D N 1.308 121.679 120.400 -0.050 0.000 2.123 293 D HA -0.122 4.518 4.640 0.000 0.000 0.196 293 D C 2.116 178.524 176.300 0.180 0.000 0.992 293 D CA 1.653 55.700 54.000 0.079 0.000 0.833 293 D CB -0.980 39.859 40.800 0.065 0.000 0.954 293 D HN 0.712 nan 8.370 nan 0.000 0.455 294 A N 0.877 123.758 122.820 0.102 0.000 1.902 294 A HA 0.093 4.413 4.320 0.000 0.000 0.217 294 A C 2.494 180.138 177.584 0.100 0.000 1.181 294 A CA 2.065 54.157 52.037 0.092 0.000 0.623 294 A CB -1.363 17.673 19.000 0.061 0.000 0.818 294 A HN 0.394 nan 8.150 nan 0.000 0.443 295 G N -1.588 107.264 108.800 0.087 0.000 2.418 295 G HA2 -0.221 3.739 3.960 0.000 0.000 0.217 295 G HA3 -0.221 3.739 3.960 0.000 0.000 0.217 295 G C 1.567 176.554 174.900 0.145 0.000 1.158 295 G CA 0.943 46.086 45.100 0.072 0.000 0.771 295 G HN 0.509 nan 8.290 nan 0.000 0.545 296 F N 0.150 120.108 119.950 0.014 0.000 2.102 296 F HA -0.083 4.444 4.527 0.000 0.000 0.298 296 F C 2.458 178.296 175.800 0.064 0.000 1.105 296 F CA 0.810 58.847 58.000 0.062 0.000 1.239 296 F CB 0.084 39.206 39.000 0.204 0.000 0.991 296 F HN 0.176 nan 8.300 nan 0.000 0.474 297 L N 1.309 122.671 121.223 0.231 0.000 2.012 297 L HA -0.286 4.054 4.340 0.000 0.000 0.210 297 L C 1.867 178.740 176.870 0.006 0.000 1.073 297 L CA 1.925 56.787 54.840 0.037 0.000 0.748 297 L CB -1.167 40.914 42.059 0.036 0.000 0.891 297 L HN 0.031 nan 8.230 nan 0.000 0.431 298 N N 0.192 118.910 118.700 0.031 0.000 2.223 298 N HA -0.112 4.628 4.740 0.000 0.000 0.185 298 N C 1.821 177.324 175.510 -0.012 0.000 1.016 298 N CA 1.419 54.453 53.050 -0.026 0.000 0.863 298 N CB -0.489 37.986 38.487 -0.020 0.000 0.983 298 N HN 0.566 nan 8.380 nan 0.000 0.429 299 A N 1.439 124.288 122.820 0.049 0.000 1.898 299 A HA -0.076 4.244 4.320 0.000 0.000 0.216 299 A C 2.113 179.660 177.584 -0.062 0.000 1.181 299 A CA 0.851 52.913 52.037 0.041 0.000 0.620 299 A CB -0.358 18.695 19.000 0.088 0.000 0.819 299 A HN 0.076 nan 8.150 nan 0.000 0.442 300 I N 0.898 121.455 120.570 -0.021 0.000 2.142 300 I HA -0.202 3.968 4.170 0.000 0.000 0.240 300 I C 2.890 178.919 176.117 -0.146 0.000 1.078 300 I CA 2.317 63.561 61.300 -0.093 0.000 1.343 300 I CB -1.937 35.972 38.000 -0.151 0.000 1.046 300 I HN 0.563 nan 8.210 nan 0.000 0.405 301 T N -2.155 112.333 114.554 -0.110 0.000 2.788 301 T HA -0.137 4.213 4.350 0.000 0.000 0.268 301 T C 1.865 176.555 174.700 -0.017 0.000 1.044 301 T CA 1.882 63.961 62.100 -0.034 0.000 1.139 301 T CB -0.939 67.910 68.868 -0.031 0.000 0.867 301 T HN 0.210 nan 8.240 nan 0.000 0.454 302 T N 2.148 116.659 114.554 -0.072 0.000 2.708 302 T HA 0.087 4.437 4.350 0.000 0.000 0.266 302 T C 2.480 177.125 174.700 -0.092 0.000 1.037 302 T CA 1.382 63.474 62.100 -0.013 0.000 1.146 302 T CB -0.841 68.066 68.868 0.066 0.000 0.865 302 T HN 0.614 nan 8.240 nan 0.000 0.435 303 A N 0.897 123.458 122.820 -0.431 0.000 1.873 303 A HA -0.023 4.297 4.320 0.000 0.000 0.215 303 A C 2.595 180.006 177.584 -0.288 0.000 1.186 303 A CA 1.277 52.903 52.037 -0.685 0.000 0.616 303 A CB -1.022 17.325 19.000 -1.088 0.000 0.823 303 A HN 0.338 nan 8.150 nan 0.000 0.442 304 V N -0.389 119.366 119.914 -0.265 0.000 2.343 304 V HA -0.256 3.864 4.120 0.000 0.000 0.247 304 V C 1.956 177.808 176.094 -0.404 0.000 1.051 304 V CA 2.318 64.422 62.300 -0.327 0.000 1.036 304 V CB -0.992 30.593 31.823 -0.397 0.000 0.654 304 V HN 0.752 nan 8.190 nan 0.000 0.451 305 H N -1.467 117.521 119.070 -0.137 0.000 2.517 305 H HA 0.172 4.728 4.556 0.000 0.000 0.282 305 H C 0.476 175.800 175.328 -0.006 0.000 1.023 305 H CA -0.311 55.678 56.048 -0.099 0.000 1.169 305 H CB -0.010 29.694 29.762 -0.097 0.000 1.454 305 H HN 0.263 nan 8.280 nan 0.000 0.556 306 D N 2.333 122.791 120.400 0.096 0.000 2.389 306 D HA -0.041 4.599 4.640 0.000 0.000 0.263 306 D C -1.424 174.953 176.300 0.128 0.000 1.255 306 D CA -1.693 52.409 54.000 0.171 0.000 0.914 306 D CB 1.189 42.159 40.800 0.282 0.000 1.116 306 D HN 0.231 nan 8.370 nan 0.000 0.502 307 P HA -0.027 nan 4.420 nan 0.000 0.236 307 P C 0.917 178.230 177.300 0.022 0.000 1.177 307 P CA 0.402 63.542 63.100 0.067 0.000 0.773 307 P CB 0.618 32.359 31.700 0.069 0.000 0.878 308 T N -0.588 113.960 114.554 -0.010 0.000 2.898 308 T HA -0.012 4.339 4.350 0.000 0.000 0.241 308 T C 1.536 176.082 174.700 -0.256 0.000 1.024 308 T CA 1.261 63.252 62.100 -0.182 0.000 1.174 308 T CB -0.848 67.814 68.868 -0.343 0.000 0.873 308 T HN 0.277 nan 8.240 nan 0.000 0.422 309 H N 1.162 120.283 119.070 0.084 0.000 2.512 309 H HA 0.311 4.867 4.556 0.000 0.000 0.279 309 H C 0.341 175.713 175.328 0.075 0.000 0.999 309 H CA 0.119 56.217 56.048 0.083 0.000 1.283 309 H CB -0.147 29.685 29.762 0.117 0.000 1.421 309 H HN 0.208 nan 8.280 nan 0.000 0.554 310 K N 0.487 120.978 120.400 0.152 0.000 3.730 310 K HA -0.135 4.185 4.320 0.000 0.000 0.276 310 K C -2.702 173.940 176.600 0.070 0.000 0.904 310 K CA -0.094 56.244 56.287 0.084 0.000 0.741 310 K CB -1.159 31.371 32.500 0.050 0.000 1.542 310 K HN 0.346 nan 8.250 nan 0.000 0.446 311 P HA -0.059 nan 4.420 nan 0.000 0.265 311 P C 0.598 177.890 177.300 -0.013 0.000 1.193 311 P CA 0.121 63.249 63.100 0.045 0.000 0.765 311 P CB 1.055 32.773 31.700 0.031 0.000 0.823 312 S N 1.945 117.638 115.700 -0.011 0.000 2.511 312 S HA 0.242 4.712 4.470 0.000 0.000 0.214 312 S C 0.519 175.093 174.600 -0.044 0.000 0.997 312 S CA 0.119 58.293 58.200 -0.042 0.000 0.908 312 S CB -0.243 62.940 63.200 -0.028 0.000 0.803 312 S HN 0.321 nan 8.310 nan 0.000 0.504 313 I N 1.095 121.652 120.570 -0.023 0.000 2.722 313 I HA 0.470 4.640 4.170 0.000 0.000 0.295 313 I C -1.510 174.601 176.117 -0.010 0.000 1.161 313 I CA -1.027 60.263 61.300 -0.016 0.000 1.032 313 I CB 2.655 40.656 38.000 0.002 0.000 1.244 313 I HN -0.146 nan 8.210 nan 0.000 0.421 314 V N 3.492 123.398 119.914 -0.014 0.000 2.487 314 V HA 0.457 4.577 4.120 0.000 0.000 0.298 314 V C -0.324 175.781 176.094 0.018 0.000 1.028 314 V CA -0.517 61.779 62.300 -0.007 0.000 0.860 314 V CB 1.834 33.644 31.823 -0.022 0.000 0.991 314 V HN 0.746 nan 8.190 nan 0.000 0.427 315 S N 5.615 121.340 115.700 0.041 0.000 2.449 315 S HA 0.790 5.260 4.470 0.000 0.000 0.310 315 S C -0.821 173.840 174.600 0.102 0.000 1.096 315 S CA -0.454 57.781 58.200 0.058 0.000 1.095 315 S CB 0.523 63.752 63.200 0.048 0.000 1.007 315 S HN 0.554 nan 8.310 nan 0.000 0.474 316 I N 3.915 124.563 120.570 0.130 0.000 2.447 316 I HA 0.322 4.492 4.170 0.000 0.000 0.287 316 I C 0.305 176.570 176.117 0.247 0.000 1.023 316 I CA -0.381 61.062 61.300 0.238 0.000 1.083 316 I CB 2.308 40.483 38.000 0.291 0.000 1.245 316 I HN 0.540 nan 8.210 nan 0.000 0.434 317 S N 3.728 119.606 115.700 0.295 0.000 2.578 317 S HA 0.213 4.683 4.470 0.000 0.000 0.231 317 S C -0.618 174.058 174.600 0.127 0.000 0.994 317 S CA -0.370 57.942 58.200 0.186 0.000 0.956 317 S CB 0.079 63.302 63.200 0.038 0.000 0.870 317 S HN 0.470 nan 8.310 nan 0.000 0.494 318 W N 1.085 122.451 121.300 0.110 0.000 2.627 318 W HA 0.725 5.385 4.660 0.000 0.000 0.339 318 W C 0.491 177.157 176.519 0.246 0.000 1.058 318 W CA -0.297 57.037 57.345 -0.018 0.000 1.223 318 W CB 1.279 30.615 29.460 -0.207 0.000 1.389 318 W HN 0.123 nan 8.180 nan 0.000 0.541 319 G N -0.151 108.905 108.800 0.426 0.000 2.451 319 G HA2 0.584 4.544 3.960 0.000 0.000 0.292 319 G HA3 0.584 4.544 3.960 0.000 0.000 0.292 319 G C -1.447 173.827 174.900 0.623 0.000 1.427 319 G CA -0.183 45.360 45.100 0.738 0.000 0.792 319 G HN 0.806 nan 8.290 nan 0.000 0.498 320 G N -0.908 108.344 108.800 0.753 0.000 2.690 320 G HA2 0.751 4.711 3.960 0.000 0.000 0.291 320 G HA3 0.751 4.711 3.960 0.000 0.000 0.291 320 G C -3.301 171.964 174.900 0.608 0.000 1.403 320 G CA -1.325 44.108 45.100 0.554 0.000 0.864 320 G HN 0.493 nan 8.290 nan 0.000 0.480 321 P HA 0.042 nan 4.420 nan 0.000 0.263 321 P C 0.936 178.505 177.300 0.448 0.000 1.175 321 P CA 0.179 63.473 63.100 0.324 0.000 0.761 321 P CB 0.663 32.417 31.700 0.091 0.000 0.794 322 E N 2.230 122.664 120.200 0.390 0.000 2.160 322 E HA -0.262 4.088 4.350 0.000 0.000 0.195 322 E C 0.312 177.051 176.600 0.231 0.000 0.991 322 E CA 1.683 58.255 56.400 0.288 0.000 0.810 322 E CB -0.703 29.128 29.700 0.219 0.000 0.742 322 E HN 0.483 nan 8.360 nan 0.000 0.466 323 D N 0.861 121.398 120.400 0.228 0.000 2.348 323 D HA -0.045 4.595 4.640 0.000 0.000 0.216 323 D C 1.250 177.628 176.300 0.130 0.000 0.970 323 D CA 0.653 54.748 54.000 0.159 0.000 0.889 323 D CB 0.116 41.036 40.800 0.201 0.000 0.912 323 D HN 0.036 nan 8.370 nan 0.000 0.524 324 S N -0.642 115.170 115.700 0.187 0.000 2.593 324 S HA 0.105 4.575 4.470 0.000 0.000 0.217 324 S C -0.242 174.371 174.600 0.022 0.000 0.966 324 S CA -0.297 57.937 58.200 0.056 0.000 0.914 324 S CB 0.008 63.200 63.200 -0.013 0.000 0.776 324 S HN 0.281 nan 8.310 nan 0.000 0.523 325 W N 1.504 122.769 121.300 -0.058 0.000 2.516 325 W HA 0.709 5.369 4.660 0.000 0.000 0.343 325 W C 0.189 176.636 176.519 -0.120 0.000 1.094 325 W CA -1.257 56.038 57.345 -0.083 0.000 1.250 325 W CB 0.427 29.819 29.460 -0.113 0.000 1.308 325 W HN -0.072 nan 8.180 nan 0.000 0.588 326 A N 3.618 126.512 122.820 0.122 0.000 2.462 326 A HA 0.249 4.569 4.320 0.000 0.000 0.243 326 A C -1.577 175.984 177.584 -0.039 0.000 1.076 326 A CA -0.773 51.269 52.037 0.008 0.000 0.773 326 A CB 0.002 18.986 19.000 -0.027 0.000 1.010 326 A HN 0.543 nan 8.150 nan 0.000 0.493 327 P HA -0.211 nan 4.420 nan 0.000 0.216 327 P C 1.635 178.822 177.300 -0.188 0.000 1.153 327 P CA 2.382 65.388 63.100 -0.156 0.000 0.858 327 P CB 0.170 31.791 31.700 -0.132 0.000 0.789 328 A N -1.005 121.666 122.820 -0.249 0.000 1.972 328 A HA -0.153 4.167 4.320 0.000 0.000 0.219 328 A C 2.301 179.783 177.584 -0.171 0.000 1.169 328 A CA 1.998 53.867 52.037 -0.280 0.000 0.635 328 A CB -1.385 17.213 19.000 -0.671 0.000 0.810 328 A HN 0.129 nan 8.150 nan 0.000 0.446 329 S N -0.283 115.349 115.700 -0.114 0.000 2.371 329 S HA -0.034 4.436 4.470 0.000 0.000 0.224 329 S C 1.788 176.340 174.600 -0.080 0.000 1.029 329 S CA 1.202 59.414 58.200 0.021 0.000 0.978 329 S CB -0.396 62.934 63.200 0.217 0.000 0.833 329 S HN 0.550 nan 8.310 nan 0.000 0.466 330 I N 1.660 122.076 120.570 -0.257 0.000 2.286 330 I HA -0.210 3.960 4.170 0.000 0.000 0.248 330 I C 2.653 178.591 176.117 -0.299 0.000 1.115 330 I CA 1.044 61.952 61.300 -0.653 0.000 1.392 330 I CB -0.414 37.072 38.000 -0.856 0.000 1.065 330 I HN 0.271 nan 8.210 nan 0.000 0.418 331 A N 0.637 123.357 122.820 -0.166 0.000 1.933 331 A HA -0.154 4.166 4.320 0.000 0.000 0.218 331 A C 2.523 180.093 177.584 -0.023 0.000 1.175 331 A CA 1.772 53.784 52.037 -0.043 0.000 0.628 331 A CB -0.724 18.247 19.000 -0.048 0.000 0.814 331 A HN 0.433 nan 8.150 nan 0.000 0.444 332 A N -0.590 122.197 122.820 -0.056 0.000 1.898 332 A HA -0.088 4.232 4.320 0.000 0.000 0.216 332 A C 2.256 179.771 177.584 -0.115 0.000 1.181 332 A CA 1.739 53.745 52.037 -0.051 0.000 0.620 332 A CB -0.507 18.477 19.000 -0.027 0.000 0.819 332 A HN 0.522 nan 8.150 nan 0.000 0.442 333 M N -0.726 118.782 119.600 -0.154 0.000 2.175 333 M HA -0.131 4.349 4.480 0.000 0.000 0.264 333 M C 2.170 178.210 176.300 -0.433 0.000 1.063 333 M CA 1.417 56.510 55.300 -0.346 0.000 1.119 333 M CB -0.511 31.945 32.600 -0.240 0.000 1.377 333 M HN 0.609 nan 8.290 nan 0.000 0.415 334 N N 0.481 119.190 118.700 0.016 0.000 2.166 334 N HA -0.193 4.547 4.740 0.000 0.000 0.186 334 N C 1.875 177.421 175.510 0.060 0.000 1.019 334 N CA 1.066 54.257 53.050 0.235 0.000 0.856 334 N CB 0.038 38.767 38.487 0.403 0.000 0.993 334 N HN 0.311 nan 8.380 nan 0.000 0.426 335 R N 0.503 120.990 120.500 -0.021 0.000 2.096 335 R HA -0.061 4.279 4.340 0.000 0.000 0.235 335 R C 2.133 178.351 176.300 -0.137 0.000 1.127 335 R CA 1.277 57.346 56.100 -0.052 0.000 0.968 335 R CB -0.172 30.121 30.300 -0.012 0.000 0.861 335 R HN 0.205 nan 8.270 nan 0.000 0.440 336 A N 0.187 122.862 122.820 -0.241 0.000 1.933 336 A HA -0.128 4.192 4.320 0.000 0.000 0.218 336 A C 1.745 179.154 177.584 -0.291 0.000 1.175 336 A CA 1.064 52.929 52.037 -0.286 0.000 0.628 336 A CB -0.517 18.235 19.000 -0.413 0.000 0.814 336 A HN 0.329 nan 8.150 nan 0.000 0.444 337 F N -0.616 119.227 119.950 -0.179 0.000 2.259 337 F HA -0.031 4.496 4.527 0.000 0.000 0.298 337 F C 1.953 177.447 175.800 -0.511 0.000 1.088 337 F CA 0.666 58.516 58.000 -0.251 0.000 1.358 337 F CB -0.862 38.061 39.000 -0.128 0.000 1.040 337 F HN 0.271 nan 8.300 nan 0.000 0.505 338 L N 0.477 121.378 121.223 -0.537 0.000 2.046 338 L HA -0.179 4.161 4.340 0.000 0.000 0.208 338 L C 1.815 178.422 176.870 -0.438 0.000 1.077 338 L CA 1.931 56.215 54.840 -0.927 0.000 0.747 338 L CB -1.022 40.646 42.059 -0.652 0.000 0.896 338 L HN -0.076 nan 8.230 nan 0.000 0.432 339 D N 0.250 120.499 120.400 -0.252 0.000 2.104 339 D HA -0.179 4.461 4.640 0.000 0.000 0.194 339 D C 2.251 178.368 176.300 -0.305 0.000 0.994 339 D CA 1.700 55.571 54.000 -0.215 0.000 0.830 339 D CB -0.381 40.268 40.800 -0.252 0.000 0.959 339 D HN 0.519 nan 8.370 nan 0.000 0.452 340 A N 0.988 123.635 122.820 -0.287 0.000 1.883 340 A HA -0.107 4.213 4.320 0.000 0.000 0.217 340 A C 2.322 179.782 177.584 -0.208 0.000 1.186 340 A CA 2.556 54.448 52.037 -0.242 0.000 0.624 340 A CB -0.900 18.019 19.000 -0.134 0.000 0.822 340 A HN 0.247 nan 8.150 nan 0.000 0.444 341 A N -0.274 122.388 122.820 -0.264 0.000 1.902 341 A HA 0.147 4.468 4.320 0.000 0.000 0.217 341 A C 2.496 180.018 177.584 -0.103 0.000 1.181 341 A CA 2.153 54.046 52.037 -0.239 0.000 0.623 341 A CB -0.999 17.676 19.000 -0.542 0.000 0.818 341 A HN 1.118 nan 8.150 nan 0.000 0.443 342 A N -0.565 122.199 122.820 -0.094 0.000 1.972 342 A HA 0.046 4.366 4.320 0.000 0.000 0.219 342 A C 1.938 179.592 177.584 0.117 0.000 1.169 342 A CA 1.365 53.447 52.037 0.076 0.000 0.635 342 A CB -0.462 18.616 19.000 0.129 0.000 0.810 342 A HN 0.464 nan 8.150 nan 0.000 0.446 343 L N -1.100 120.110 121.223 -0.022 0.000 2.591 343 L HA 0.217 4.557 4.340 0.000 0.000 0.228 343 L C 1.465 178.182 176.870 -0.254 0.000 1.133 343 L CA 0.468 55.272 54.840 -0.060 0.000 0.880 343 L CB -0.120 41.817 42.059 -0.203 0.000 1.033 343 L HN 0.560 nan 8.230 nan 0.000 0.450 344 G N 0.549 109.221 108.800 -0.213 0.000 2.182 344 G HA2 -0.223 3.737 3.960 0.000 0.000 0.248 344 G HA3 -0.223 3.737 3.960 0.000 0.000 0.248 344 G C -0.102 174.653 174.900 -0.242 0.000 1.042 344 G CA 0.006 44.914 45.100 -0.320 0.000 0.775 344 G HN 0.109 nan 8.290 nan 0.000 0.501 345 V N 1.060 120.872 119.914 -0.170 0.000 2.384 345 V HA 0.560 4.680 4.120 0.000 0.000 0.287 345 V C 0.774 176.822 176.094 -0.076 0.000 1.020 345 V CA -0.244 61.978 62.300 -0.130 0.000 0.850 345 V CB 1.686 33.416 31.823 -0.154 0.000 0.987 345 V HN 0.343 nan 8.190 nan 0.000 0.436 346 T N 4.755 119.280 114.554 -0.049 0.000 2.832 346 T HA 0.463 4.813 4.350 0.000 0.000 0.296 346 T C -0.145 174.536 174.700 -0.032 0.000 0.968 346 T CA -0.204 61.884 62.100 -0.019 0.000 1.107 346 T CB 1.221 70.080 68.868 -0.016 0.000 0.916 346 T HN 0.378 nan 8.240 nan 0.000 0.517 347 V N 4.988 124.875 119.914 -0.044 0.000 2.444 347 V HA 0.456 4.576 4.120 0.000 0.000 0.294 347 V C -0.553 175.479 176.094 -0.103 0.000 1.022 347 V CA -0.854 61.392 62.300 -0.090 0.000 0.850 347 V CB 1.222 32.937 31.823 -0.180 0.000 0.992 347 V HN 0.638 nan 8.190 nan 0.000 0.426 348 L N 4.160 125.351 121.223 -0.053 0.000 2.334 348 L HA 0.960 5.300 4.340 0.000 0.000 0.276 348 L C 0.147 177.006 176.870 -0.019 0.000 1.014 348 L CA -0.264 54.566 54.840 -0.016 0.000 0.815 348 L CB 1.938 44.030 42.059 0.055 0.000 1.268 348 L HN 0.766 nan 8.230 nan 0.000 0.428 349 A N 1.649 124.461 122.820 -0.014 0.000 2.455 349 A HA 0.879 5.199 4.320 0.000 0.000 0.300 349 A C -0.538 177.089 177.584 0.072 0.000 1.040 349 A CA -0.510 51.545 52.037 0.030 0.000 0.697 349 A CB 1.354 20.329 19.000 -0.041 0.000 1.265 349 A HN 0.817 nan 8.150 nan 0.000 0.407 350 A N 0.932 123.829 122.820 0.128 0.000 2.540 350 A HA 0.484 4.804 4.320 0.000 0.000 0.239 350 A C 1.220 178.852 177.584 0.080 0.000 1.061 350 A CA 0.453 52.563 52.037 0.121 0.000 0.758 350 A CB 0.024 19.140 19.000 0.194 0.000 0.991 350 A HN 2.155 nan 8.150 nan 0.000 0.502 351 A N 1.992 124.829 122.820 0.028 0.000 2.238 351 A HA 0.514 4.834 4.320 0.000 0.000 0.208 351 A C 1.240 178.755 177.584 -0.116 0.000 1.177 351 A CA 1.049 53.086 52.037 0.000 0.000 0.804 351 A CB -0.969 18.055 19.000 0.040 0.000 0.823 351 A HN 2.779 nan 8.150 nan 0.000 0.482 352 G N -0.281 108.289 108.800 -0.384 0.000 2.484 352 G HA2 0.182 4.142 3.960 0.000 0.000 0.685 352 G HA3 0.182 4.142 3.960 0.000 0.000 0.685 352 G C -0.593 174.163 174.900 -0.240 0.000 1.294 352 G CA 0.026 44.710 45.100 -0.693 0.000 0.879 352 G HN 0.603 nan 8.290 nan 0.000 0.646 353 D N -1.350 119.000 120.400 -0.084 0.000 2.620 353 D HA 0.254 4.894 4.640 0.000 0.000 0.260 353 D C 0.620 176.930 176.300 0.016 0.000 1.367 353 D CA 0.357 54.465 54.000 0.180 0.000 0.805 353 D CB 0.437 41.494 40.800 0.429 0.000 1.096 353 D HN 0.367 nan 8.370 nan 0.000 0.488 354 S N 0.402 116.088 115.700 -0.023 0.000 2.751 354 S HA 0.561 5.031 4.470 0.000 0.000 0.247 354 S C 0.835 175.408 174.600 -0.044 0.000 1.103 354 S CA -0.144 58.035 58.200 -0.035 0.000 1.090 354 S CB 0.934 64.159 63.200 0.042 0.000 0.928 354 S HN 0.709 nan 8.310 nan 0.000 0.502 355 G N 2.698 111.432 108.800 -0.110 0.000 2.641 355 G HA2 -0.325 3.635 3.960 0.000 0.000 0.254 355 G HA3 -0.325 3.635 3.960 0.000 0.000 0.254 355 G C 0.889 175.832 174.900 0.071 0.000 1.315 355 G CA 0.056 45.123 45.100 -0.056 0.000 0.907 355 G HN 0.954 nan 8.290 nan 0.000 0.572 356 S N -1.522 114.262 115.700 0.141 0.000 2.515 356 S HA 0.008 4.478 4.470 0.000 0.000 0.231 356 S C 2.012 176.842 174.600 0.383 0.000 0.987 356 S CA 2.112 60.485 58.200 0.288 0.000 0.936 356 S CB -0.393 62.982 63.200 0.292 0.000 0.766 356 S HN 1.873 nan 8.310 nan 0.000 0.528 357 T N -2.106 112.610 114.554 0.271 0.000 3.060 357 T HA 0.193 4.543 4.350 0.000 0.000 0.249 357 T C 0.376 175.225 174.700 0.248 0.000 1.079 357 T CA 0.315 62.562 62.100 0.245 0.000 1.013 357 T CB -0.529 68.406 68.868 0.112 0.000 0.975 357 T HN 0.288 nan 8.240 nan 0.000 0.518 358 D N 1.530 122.039 120.400 0.182 0.000 2.737 358 D HA -0.146 4.494 4.640 0.000 0.000 0.233 358 D C 1.236 177.595 176.300 0.100 0.000 1.155 358 D CA 1.486 55.574 54.000 0.146 0.000 0.667 358 D CB -1.567 39.354 40.800 0.201 0.000 1.060 358 D HN 0.863 nan 8.370 nan 0.000 0.427 359 G N -1.338 107.505 108.800 0.072 0.000 2.179 359 G HA2 -0.296 3.664 3.960 0.000 0.000 0.260 359 G HA3 -0.296 3.664 3.960 0.000 0.000 0.260 359 G C 0.120 175.027 174.900 0.013 0.000 0.977 359 G CA 0.457 45.584 45.100 0.044 0.000 0.641 359 G HN 0.462 nan 8.290 nan 0.000 0.533 360 E N -0.173 120.025 120.200 -0.003 0.000 2.250 360 E HA 0.514 4.864 4.350 0.000 0.000 0.265 360 E C 0.943 177.551 176.600 0.014 0.000 1.033 360 E CA -0.156 56.218 56.400 -0.043 0.000 0.888 360 E CB 0.837 30.404 29.700 -0.222 0.000 1.151 360 E HN 0.676 nan 8.360 nan 0.000 0.412 361 Q N 0.003 119.809 119.800 0.010 0.000 2.144 361 Q HA 0.148 4.488 4.340 0.000 0.000 0.305 361 Q C -0.432 175.574 176.000 0.010 0.000 0.876 361 Q CA -0.204 55.603 55.803 0.007 0.000 1.130 361 Q CB 0.095 28.833 28.738 0.000 0.000 1.267 361 Q HN 0.272 nan 8.270 nan 0.000 0.433 362 D N -0.027 120.397 120.400 0.041 0.000 2.328 362 D HA 0.127 4.767 4.640 0.000 0.000 0.221 362 D C 1.178 177.479 176.300 0.002 0.000 1.072 362 D CA 0.524 54.547 54.000 0.039 0.000 0.850 362 D CB 0.276 41.127 40.800 0.085 0.000 0.922 362 D HN 0.464 nan 8.370 nan 0.000 0.516 363 G N 0.010 108.782 108.800 -0.048 0.000 2.157 363 G HA2 -0.225 3.735 3.960 0.000 0.000 0.248 363 G HA3 -0.225 3.735 3.960 0.000 0.000 0.248 363 G C -0.116 174.650 174.900 -0.225 0.000 0.979 363 G CA 0.367 45.394 45.100 -0.121 0.000 0.650 363 G HN 0.406 nan 8.290 nan 0.000 0.529 364 L N -0.899 120.179 121.223 -0.242 0.000 2.323 364 L HA 0.687 5.027 4.340 0.000 0.000 0.265 364 L C 0.103 176.578 176.870 -0.658 0.000 1.012 364 L CA -1.663 52.924 54.840 -0.422 0.000 0.820 364 L CB 1.425 43.276 42.059 -0.346 0.000 1.334 364 L HN 0.069 nan 8.230 nan 0.000 0.427 365 Y N 0.313 120.454 120.300 -0.266 0.000 2.301 365 Y HA 0.404 4.954 4.550 0.000 0.000 0.325 365 Y C 0.127 175.815 175.900 -0.354 0.000 1.203 365 Y CA -0.202 57.810 58.100 -0.147 0.000 1.255 365 Y CB 0.849 39.310 38.460 0.001 0.000 1.232 365 Y HN 0.341 nan 8.280 nan 0.000 0.501 366 H N 1.186 120.409 119.070 0.256 0.000 2.894 366 H HA 0.485 5.041 4.556 0.000 0.000 0.367 366 H C -1.003 174.452 175.328 0.210 0.000 1.144 366 H CA -0.948 55.221 56.048 0.201 0.000 1.180 366 H CB 1.817 31.670 29.762 0.152 0.000 1.758 366 H HN 0.530 nan 8.280 nan 0.000 0.541 367 V N -0.379 119.722 119.914 0.310 0.000 2.834 367 V HA 0.397 4.517 4.120 0.000 0.000 0.313 367 V C 0.065 176.330 176.094 0.285 0.000 1.060 367 V CA -0.849 61.602 62.300 0.252 0.000 0.989 367 V CB 1.919 33.862 31.823 0.201 0.000 1.041 367 V HN 0.644 nan 8.190 nan 0.000 0.459 368 D N 0.996 121.545 120.400 0.248 0.000 2.264 368 D HA 0.509 5.149 4.640 0.000 0.000 0.249 368 D C -1.174 175.325 176.300 0.331 0.000 1.070 368 D CA -0.088 54.094 54.000 0.304 0.000 0.912 368 D CB 1.316 42.245 40.800 0.216 0.000 1.193 368 D HN 0.602 nan 8.370 nan 0.000 0.427 369 F N 3.883 123.997 119.950 0.273 0.000 2.508 369 F HA 0.433 4.960 4.527 0.000 0.000 0.325 369 F C -1.662 174.317 175.800 0.298 0.000 1.090 369 F CA -2.309 55.775 58.000 0.141 0.000 0.945 369 F CB 2.147 41.059 39.000 -0.146 0.000 1.156 369 F HN 0.257 nan 8.300 nan 0.000 0.463 370 P HA -0.059 nan 4.420 nan 0.000 0.237 370 P C 0.845 177.686 177.300 -0.764 0.000 1.178 370 P CA 1.158 63.430 63.100 -1.379 0.000 0.766 370 P CB -0.023 31.172 31.700 -0.842 0.000 0.876 371 A N 1.295 123.947 122.820 -0.280 0.000 1.986 371 A HA -0.115 4.205 4.320 0.000 0.000 0.220 371 A C 2.447 179.965 177.584 -0.109 0.000 1.171 371 A CA 1.984 53.934 52.037 -0.145 0.000 0.640 371 A CB -1.439 17.561 19.000 -0.000 0.000 0.811 371 A HN 0.274 nan 8.150 nan 0.000 0.451 372 A N -0.516 122.297 122.820 -0.012 0.000 2.067 372 A HA 0.131 4.451 4.320 0.000 0.000 0.219 372 A C 1.629 179.139 177.584 -0.124 0.000 1.158 372 A CA 1.026 53.135 52.037 0.119 0.000 0.661 372 A CB -0.773 18.474 19.000 0.412 0.000 0.801 372 A HN 0.620 nan 8.150 nan 0.000 0.452 373 S N 0.694 116.186 115.700 -0.346 0.000 2.546 373 S HA 0.147 4.617 4.470 0.000 0.000 0.290 373 S C -0.889 173.440 174.600 -0.451 0.000 1.290 373 S CA -0.589 57.222 58.200 -0.647 0.000 1.069 373 S CB 0.713 63.703 63.200 -0.349 0.000 0.846 373 S HN 0.326 nan 8.310 nan 0.000 0.495 374 P HA -0.056 nan 4.420 nan 0.000 0.230 374 P C 0.275 177.524 177.300 -0.085 0.000 1.158 374 P CA 1.082 64.076 63.100 -0.176 0.000 0.769 374 P CB -0.137 31.406 31.700 -0.261 0.000 0.807 375 Y N -0.805 119.440 120.300 -0.092 0.000 2.466 375 Y HA 0.141 4.691 4.550 0.000 0.000 0.272 375 Y C 1.133 176.890 175.900 -0.237 0.000 1.169 375 Y CA -0.406 57.539 58.100 -0.258 0.000 1.285 375 Y CB 0.421 38.694 38.460 -0.312 0.000 1.078 375 Y HN -0.282 nan 8.280 nan 0.000 0.523 376 V N 1.669 121.494 119.914 -0.149 0.000 2.513 376 V HA 0.162 4.282 4.120 0.000 0.000 0.299 376 V C -0.168 175.880 176.094 -0.076 0.000 1.035 376 V CA -1.207 60.931 62.300 -0.270 0.000 0.889 376 V CB 2.366 33.834 31.823 -0.590 0.000 0.988 376 V HN 0.019 nan 8.190 nan 0.000 0.440 377 L N 4.819 126.016 121.223 -0.043 0.000 2.385 377 L HA 0.458 4.798 4.340 0.000 0.000 0.285 377 L C 0.599 177.491 176.870 0.036 0.000 1.125 377 L CA -0.062 54.793 54.840 0.025 0.000 0.890 377 L CB 0.551 42.624 42.059 0.024 0.000 1.251 377 L HN 0.857 nan 8.230 nan 0.000 0.445 378 A N 5.103 127.964 122.820 0.069 0.000 2.409 378 A HA 0.300 4.620 4.320 0.000 0.000 0.267 378 A C -0.126 177.526 177.584 0.113 0.000 1.127 378 A CA -0.300 51.781 52.037 0.073 0.000 0.795 378 A CB -0.023 19.031 19.000 0.091 0.000 1.061 378 A HN 0.816 nan 8.150 nan 0.000 0.502 379 C N 3.530 122.896 119.300 0.109 0.000 2.271 379 C HA 0.656 5.116 4.460 0.000 0.000 0.323 379 C C 1.271 176.327 174.990 0.109 0.000 1.245 379 C CA -0.431 58.675 59.018 0.146 0.000 1.548 379 C CB 0.059 27.888 27.740 0.148 0.000 2.214 379 C HN 1.060 nan 8.230 nan 0.000 0.477 380 G N 2.032 110.899 108.800 0.110 0.000 2.543 380 G HA2 0.685 4.645 3.960 0.000 0.000 0.290 380 G HA3 0.685 4.645 3.960 0.000 0.000 0.290 380 G C -0.162 174.820 174.900 0.137 0.000 1.310 380 G CA -0.296 44.863 45.100 0.099 0.000 1.025 380 G HN 1.005 nan 8.290 nan 0.000 0.502 381 G N -1.307 107.608 108.800 0.191 0.000 2.591 381 G HA2 0.650 4.610 3.960 0.000 0.000 0.306 381 G HA3 0.650 4.610 3.960 0.000 0.000 0.306 381 G C -0.407 174.660 174.900 0.280 0.000 1.334 381 G CA 0.181 45.432 45.100 0.252 0.000 0.981 381 G HN 0.982 nan 8.290 nan 0.000 0.491 382 T N -1.587 113.099 114.554 0.220 0.000 2.888 382 T HA 0.707 5.057 4.350 0.000 0.000 0.288 382 T C -0.387 174.415 174.700 0.171 0.000 1.063 382 T CA -0.964 61.262 62.100 0.209 0.000 1.010 382 T CB 2.255 71.221 68.868 0.164 0.000 1.214 382 T HN 0.622 nan 8.240 nan 0.000 0.533 383 R N 0.966 121.565 120.500 0.165 0.000 2.265 383 R HA 0.601 4.941 4.340 0.000 0.000 0.328 383 R C -1.432 174.919 176.300 0.084 0.000 0.969 383 R CA -0.864 55.304 56.100 0.113 0.000 0.832 383 R CB 0.640 31.026 30.300 0.145 0.000 1.139 383 R HN 0.620 nan 8.270 nan 0.000 0.457 384 L N 5.509 126.762 121.223 0.050 0.000 2.282 384 L HA 0.413 4.753 4.340 0.000 0.000 0.288 384 L C -1.348 175.564 176.870 0.071 0.000 1.033 384 L CA -0.424 54.423 54.840 0.010 0.000 0.807 384 L CB 1.912 43.889 42.059 -0.137 0.000 1.209 384 L HN 0.399 nan 8.230 nan 0.000 0.423 385 V N 5.589 125.534 119.914 0.051 0.000 2.350 385 V HA 0.876 4.996 4.120 0.000 0.000 0.285 385 V C 0.080 176.200 176.094 0.043 0.000 1.014 385 V CA -0.123 62.232 62.300 0.091 0.000 0.831 385 V CB 0.768 32.624 31.823 0.055 0.000 1.000 385 V HN 0.984 nan 8.190 nan 0.000 0.433 386 A N 3.763 126.636 122.820 0.088 0.000 2.454 386 A HA 0.976 5.296 4.320 0.000 0.000 0.302 386 A C -0.543 177.074 177.584 0.055 0.000 1.079 386 A CA -0.590 51.440 52.037 -0.011 0.000 0.731 386 A CB 2.357 21.234 19.000 -0.205 0.000 1.299 386 A HN 0.756 nan 8.150 nan 0.000 0.413 387 S N -0.504 115.200 115.700 0.008 0.000 2.552 387 S HA 0.573 5.043 4.470 0.000 0.000 0.272 387 S C 0.078 174.674 174.600 -0.006 0.000 1.150 387 S CA 0.651 58.858 58.200 0.013 0.000 0.849 387 S CB 1.255 64.463 63.200 0.013 0.000 1.113 387 S HN 2.613 nan 8.310 nan 0.000 0.458 388 A N 1.408 124.224 122.820 -0.007 0.000 2.798 388 A HA 0.038 4.358 4.320 0.000 0.000 0.282 388 A C 1.742 179.314 177.584 -0.019 0.000 1.464 388 A CA 1.896 53.926 52.037 -0.011 0.000 0.844 388 A CB -2.354 16.642 19.000 -0.007 0.000 1.006 388 A HN 2.765 nan 8.150 nan 0.000 0.577 389 G N -2.652 106.128 108.800 -0.034 0.000 2.148 389 G HA2 -0.246 3.714 3.960 0.000 0.000 0.254 389 G HA3 -0.246 3.714 3.960 0.000 0.000 0.254 389 G C 0.047 174.915 174.900 -0.054 0.000 0.981 389 G CA 1.008 46.076 45.100 -0.053 0.000 0.670 389 G HN 1.364 nan 8.290 nan 0.000 0.528 390 R N -0.866 119.608 120.500 -0.044 0.000 2.803 390 R HA 0.688 5.028 4.340 0.000 0.000 0.276 390 R C 0.049 176.321 176.300 -0.047 0.000 0.978 390 R CA -1.130 54.952 56.100 -0.030 0.000 0.939 390 R CB 1.571 31.870 30.300 -0.002 0.000 1.179 390 R HN 0.165 nan 8.270 nan 0.000 0.472 391 I N 2.249 122.794 120.570 -0.042 0.000 2.379 391 I HA 0.012 4.182 4.170 0.000 0.000 0.290 391 I C 1.029 177.144 176.117 -0.003 0.000 1.063 391 I CA 0.361 61.619 61.300 -0.070 0.000 1.351 391 I CB 0.953 38.851 38.000 -0.170 0.000 1.410 391 I HN 0.668 nan 8.210 nan 0.000 0.505 392 E N 5.293 125.493 120.200 0.001 0.000 2.166 392 E HA 0.122 4.472 4.350 0.000 0.000 0.192 392 E C 0.593 177.222 176.600 0.049 0.000 0.967 392 E CA 0.334 56.752 56.400 0.030 0.000 0.840 392 E CB 0.630 30.344 29.700 0.024 0.000 0.795 392 E HN 0.472 nan 8.360 nan 0.000 0.470 393 R N 0.473 120.996 120.500 0.039 0.000 2.579 393 R HA 0.209 4.549 4.340 0.000 0.000 0.260 393 R C -1.978 174.354 176.300 0.053 0.000 1.103 393 R CA -0.274 55.865 56.100 0.065 0.000 0.942 393 R CB 1.757 32.093 30.300 0.060 0.000 1.251 393 R HN -0.080 nan 8.270 nan 0.000 0.450 394 E N 2.496 122.753 120.200 0.095 0.000 2.281 394 E HA 0.318 4.668 4.350 0.000 0.000 0.266 394 E C -1.531 175.145 176.600 0.128 0.000 0.893 394 E CA -0.497 55.959 56.400 0.093 0.000 0.798 394 E CB 1.744 31.472 29.700 0.046 0.000 1.245 394 E HN 0.704 nan 8.360 nan 0.000 0.410 395 T N -0.857 113.765 114.554 0.113 0.000 2.888 395 T HA 0.494 4.844 4.350 0.000 0.000 0.288 395 T C -0.065 174.706 174.700 0.119 0.000 1.063 395 T CA -0.778 61.385 62.100 0.104 0.000 1.010 395 T CB 1.111 70.033 68.868 0.090 0.000 1.214 395 T HN 0.132 nan 8.240 nan 0.000 0.533 396 V N 1.458 121.431 119.914 0.098 0.000 2.673 396 V HA 0.110 4.230 4.120 0.000 0.000 0.303 396 V C 0.088 176.292 176.094 0.184 0.000 1.046 396 V CA -0.406 61.960 62.300 0.111 0.000 1.126 396 V CB -0.103 31.750 31.823 0.050 0.000 0.934 396 V HN 0.849 nan 8.190 nan 0.000 0.487 397 W N 6.911 128.230 121.300 0.032 0.000 2.419 397 W HA 0.330 4.990 4.660 -0.000 0.000 0.312 397 W C 0.138 176.676 176.519 0.032 0.000 1.323 397 W CA -1.023 56.344 57.345 0.037 0.000 1.293 397 W CB -0.052 29.435 29.460 0.045 0.000 1.324 397 W HN 0.707 nan 8.180 nan 0.000 0.512 398 N N 4.893 123.507 118.700 -0.144 0.000 2.629 398 N HA 0.076 4.816 4.740 0.000 0.000 0.277 398 N C -0.957 174.467 175.510 -0.144 0.000 1.188 398 N CA -0.301 52.557 53.050 -0.319 0.000 0.835 398 N CB 0.755 39.151 38.487 -0.151 0.000 1.420 398 N HN 0.251 nan 8.380 nan 0.000 0.542 399 D N 2.907 123.195 120.400 -0.186 0.000 2.525 399 D HA 0.248 4.888 4.640 0.000 0.000 0.229 399 D C 0.982 177.264 176.300 -0.030 0.000 1.202 399 D CA 0.495 54.503 54.000 0.013 0.000 0.828 399 D CB 0.552 41.469 40.800 0.196 0.000 1.008 399 D HN 0.861 nan 8.370 nan 0.000 0.493 400 G N 1.530 110.278 108.800 -0.087 0.000 2.760 400 G HA2 -0.242 3.718 3.960 0.000 0.000 0.246 400 G HA3 -0.242 3.718 3.960 0.000 0.000 0.246 400 G C -1.936 172.926 174.900 -0.064 0.000 1.359 400 G CA -0.754 44.309 45.100 -0.060 0.000 0.861 400 G HN -0.013 nan 8.290 nan 0.000 0.541 401 P HA -0.052 nan 4.420 nan 0.000 0.216 401 P C 1.147 178.434 177.300 -0.022 0.000 1.157 401 P CA 2.023 65.105 63.100 -0.031 0.000 0.880 401 P CB 0.032 31.722 31.700 -0.017 0.000 0.791 402 D N -2.309 118.085 120.400 -0.009 0.000 2.354 402 D HA 0.069 4.709 4.640 0.000 0.000 0.209 402 D C 1.998 178.313 176.300 0.025 0.000 1.015 402 D CA 0.793 54.796 54.000 0.005 0.000 0.867 402 D CB -0.489 40.316 40.800 0.009 0.000 0.933 402 D HN 0.177 nan 8.370 nan 0.000 0.520 403 G N -0.220 108.597 108.800 0.029 0.000 2.744 403 G HA2 0.372 4.332 3.960 0.000 0.000 0.211 403 G HA3 0.372 4.332 3.960 0.000 0.000 0.211 403 G C 0.863 175.845 174.900 0.137 0.000 1.146 403 G CA 0.436 45.593 45.100 0.095 0.000 0.787 403 G HN 0.502 nan 8.290 nan 0.000 0.534 404 G N -1.441 107.328 108.800 -0.052 0.000 2.707 404 G HA2 0.315 4.275 3.960 0.000 0.000 0.686 404 G HA3 0.315 4.275 3.960 0.000 0.000 0.686 404 G C -0.485 173.823 174.900 -0.987 0.000 1.315 404 G CA 0.089 45.029 45.100 -0.268 0.000 0.832 404 G HN 1.280 nan 8.290 nan 0.000 0.573 405 S N -1.643 113.249 115.700 -1.348 0.000 2.567 405 S HA 0.725 5.195 4.470 0.000 0.000 0.270 405 S C 0.044 174.103 174.600 -0.902 0.000 1.152 405 S CA 0.877 58.194 58.200 -1.471 0.000 0.835 405 S CB 1.672 64.491 63.200 -0.635 0.000 1.115 405 S HN 2.046 nan 8.310 nan 0.000 0.459 406 T N 1.933 116.257 114.554 -0.384 0.000 2.940 406 T HA 0.466 4.816 4.350 0.000 0.000 0.309 406 T C 0.866 175.556 174.700 -0.017 0.000 1.056 406 T CA 0.588 62.720 62.100 0.053 0.000 1.137 406 T CB -0.232 68.746 68.868 0.183 0.000 0.976 406 T HN 0.891 nan 8.240 nan 0.000 0.547 407 G N 1.483 110.294 108.800 0.018 0.000 2.606 407 G HA2 0.567 4.527 3.960 0.000 0.000 0.252 407 G HA3 0.567 4.527 3.960 0.000 0.000 0.252 407 G C 0.159 175.079 174.900 0.033 0.000 1.206 407 G CA -0.091 45.022 45.100 0.021 0.000 0.861 407 G HN 1.178 nan 8.290 nan 0.000 0.561 408 G N -1.729 107.102 108.800 0.053 0.000 2.386 408 G HA2 0.705 4.665 3.960 0.000 0.000 0.302 408 G HA3 0.705 4.665 3.960 0.000 0.000 0.302 408 G C -0.294 174.589 174.900 -0.029 0.000 1.629 408 G CA 0.407 45.508 45.100 0.002 0.000 0.917 408 G HN 2.076 nan 8.290 nan 0.000 0.676 409 G N -1.702 106.992 108.800 -0.177 0.000 2.441 409 G HA2 0.575 4.535 3.960 0.000 0.000 0.222 409 G HA3 0.575 4.535 3.960 0.000 0.000 0.222 409 G C -1.779 172.974 174.900 -0.246 0.000 1.254 409 G CA 0.454 45.271 45.100 -0.472 0.000 0.959 409 G HN 1.687 nan 8.290 nan 0.000 0.474 410 V N 0.883 120.724 119.914 -0.122 0.000 2.577 410 V HA 0.659 4.779 4.120 0.000 0.000 0.303 410 V C 0.597 176.724 176.094 0.054 0.000 1.042 410 V CA -0.259 62.024 62.300 -0.028 0.000 0.872 410 V CB 1.269 33.076 31.823 -0.027 0.000 0.998 410 V HN 1.079 nan 8.190 nan 0.000 0.423 411 S N 3.544 119.287 115.700 0.071 0.000 2.572 411 S HA 0.219 4.689 4.470 0.000 0.000 0.279 411 S C 1.028 175.665 174.600 0.061 0.000 1.341 411 S CA -0.003 58.267 58.200 0.117 0.000 1.043 411 S CB 0.390 63.717 63.200 0.211 0.000 0.887 411 S HN 0.906 nan 8.310 nan 0.000 0.516 412 R N 3.486 124.013 120.500 0.044 0.000 2.432 412 R HA 0.405 4.745 4.340 0.000 0.000 0.260 412 R C 0.838 177.090 176.300 -0.081 0.000 0.935 412 R CA 0.319 56.416 56.100 -0.005 0.000 1.080 412 R CB -0.148 30.159 30.300 0.012 0.000 1.155 412 R HN 0.641 nan 8.270 nan 0.000 0.531 413 I N -0.547 119.933 120.570 -0.150 0.000 3.565 413 I HA 0.258 4.428 4.170 0.000 0.000 0.287 413 I C -0.225 175.566 176.117 -0.544 0.000 1.193 413 I CA -0.116 60.932 61.300 -0.419 0.000 1.402 413 I CB 0.413 38.001 38.000 -0.688 0.000 1.284 413 I HN -0.041 nan 8.210 nan 0.000 0.454 414 F N 2.272 122.206 119.950 -0.028 0.000 2.415 414 F HA 0.417 4.944 4.527 0.000 0.000 0.348 414 F C -2.300 173.446 175.800 -0.089 0.000 1.119 414 F CA -2.574 55.397 58.000 -0.049 0.000 1.069 414 F CB 0.358 39.340 39.000 -0.031 0.000 1.124 414 F HN -0.295 nan 8.300 nan 0.000 0.472 415 P HA -0.002 nan 4.420 nan 0.000 0.271 415 P C -0.658 176.565 177.300 -0.129 0.000 1.233 415 P CA -0.431 62.638 63.100 -0.052 0.000 0.789 415 P CB 0.598 32.261 31.700 -0.062 0.000 0.951 416 L N 4.031 125.136 121.223 -0.195 0.000 2.562 416 L HA 0.211 4.551 4.340 0.000 0.000 0.271 416 L C -2.313 174.297 176.870 -0.435 0.000 1.167 416 L CA -1.390 53.252 54.840 -0.329 0.000 0.917 416 L CB -0.688 41.188 42.059 -0.306 0.000 1.187 416 L HN 0.261 nan 8.230 nan 0.000 0.482 417 P HA 0.136 nan 4.420 nan 0.000 0.271 417 P C 0.429 177.242 177.300 -0.812 0.000 1.218 417 P CA -0.001 62.565 63.100 -0.889 0.000 0.780 417 P CB 0.710 31.353 31.700 -1.760 0.000 0.901 418 S N 2.103 117.491 115.700 -0.521 0.000 2.399 418 S HA -0.159 4.311 4.470 0.000 0.000 0.231 418 S C 1.560 175.991 174.600 -0.281 0.000 1.022 418 S CA 0.811 58.828 58.200 -0.304 0.000 0.983 418 S CB -1.178 61.950 63.200 -0.121 0.000 0.803 418 S HN 0.691 nan 8.310 nan 0.000 0.480 419 W N 1.052 122.242 121.300 -0.183 0.000 2.800 419 W HA 0.235 4.895 4.660 -0.000 0.000 0.249 419 W C 1.733 178.042 176.519 -0.351 0.000 1.294 419 W CA 0.529 57.752 57.345 -0.203 0.000 1.402 419 W CB -0.565 28.786 29.460 -0.182 0.000 1.126 419 W HN 0.442 nan 8.180 nan 0.000 0.652 420 Q N 1.681 120.985 119.800 -0.828 0.000 2.317 420 Q HA -0.090 4.250 4.340 0.000 0.000 0.220 420 Q C 2.212 177.836 176.000 -0.626 0.000 0.873 420 Q CA 0.633 55.843 55.803 -0.988 0.000 0.936 420 Q CB 0.059 27.889 28.738 -1.513 0.000 1.105 420 Q HN 0.464 nan 8.270 nan 0.000 0.520 421 E N 0.238 120.152 120.200 -0.477 0.000 2.267 421 E HA -0.214 4.136 4.350 0.000 0.000 0.197 421 E C 1.388 177.855 176.600 -0.223 0.000 0.998 421 E CA 0.811 57.009 56.400 -0.337 0.000 0.830 421 E CB -0.018 29.522 29.700 -0.267 0.000 0.751 421 E HN 0.246 nan 8.360 nan 0.000 0.491 422 R N 0.579 120.986 120.500 -0.155 0.000 2.276 422 R HA 0.232 4.572 4.340 0.000 0.000 0.196 422 R C 0.819 177.085 176.300 -0.058 0.000 0.961 422 R CA 0.306 56.360 56.100 -0.078 0.000 1.024 422 R CB 0.244 30.530 30.300 -0.023 0.000 0.940 422 R HN 0.130 nan 8.270 nan 0.000 0.480 423 A N 1.391 124.155 122.820 -0.094 0.000 2.332 423 A HA 0.039 4.359 4.320 0.000 0.000 0.258 423 A C 0.126 177.639 177.584 -0.118 0.000 1.087 423 A CA -0.331 51.675 52.037 -0.052 0.000 0.802 423 A CB 0.097 19.051 19.000 -0.078 0.000 1.042 423 A HN 0.335 nan 8.150 nan 0.000 0.489 424 N N 1.128 119.858 118.700 0.049 0.000 3.115 424 N HA 0.153 4.893 4.740 0.000 0.000 0.305 424 N C -0.621 174.942 175.510 0.088 0.000 1.305 424 N CA -0.372 52.727 53.050 0.081 0.000 1.154 424 N CB -0.243 38.341 38.487 0.161 0.000 1.454 424 N HN 0.370 nan 8.380 nan 0.000 0.551 425 V N 3.098 122.853 119.914 -0.265 0.000 2.508 425 V HA 0.224 4.344 4.120 0.000 0.000 0.281 425 V C -1.405 174.614 176.094 -0.125 0.000 1.041 425 V CA -0.987 61.074 62.300 -0.400 0.000 1.016 425 V CB 0.875 32.253 31.823 -0.742 0.000 0.984 425 V HN 0.427 nan 8.190 nan 0.000 0.478 426 P HA 0.529 nan 4.420 nan 0.000 0.284 426 P C -2.818 174.486 177.300 0.005 0.000 1.287 426 P CA -2.046 61.071 63.100 0.028 0.000 0.824 426 P CB 0.920 32.688 31.700 0.112 0.000 1.180 427 P HA 0.048 nan 4.420 nan 0.000 0.274 427 P C 0.213 177.562 177.300 0.082 0.000 1.256 427 P CA -0.088 63.025 63.100 0.021 0.000 0.795 427 P CB 0.332 32.042 31.700 0.016 0.000 1.038 428 S N -0.193 115.556 115.700 0.082 0.000 2.573 428 S HA 0.215 4.685 4.470 0.000 0.000 0.277 428 S C 1.410 176.107 174.600 0.162 0.000 1.346 428 S CA 0.110 58.406 58.200 0.160 0.000 1.034 428 S CB -0.162 63.109 63.200 0.118 0.000 0.879 428 S HN 0.490 nan 8.310 nan 0.000 0.528 429 A N 4.016 126.953 122.820 0.194 0.000 2.169 429 A HA 0.189 4.510 4.320 0.000 0.000 0.212 429 A C 0.854 178.498 177.584 0.100 0.000 1.153 429 A CA 0.065 52.099 52.037 -0.004 0.000 0.756 429 A CB -0.735 17.964 19.000 -0.501 0.000 0.813 429 A HN 0.890 nan 8.150 nan 0.000 0.471 430 N N 0.671 119.468 118.700 0.162 0.000 2.399 430 N HA 0.284 5.024 4.740 0.000 0.000 0.250 430 N C -2.740 172.808 175.510 0.064 0.000 1.272 430 N CA -1.276 51.851 53.050 0.127 0.000 0.928 430 N CB 0.224 38.762 38.487 0.085 0.000 1.158 430 N HN 0.006 nan 8.380 nan 0.000 0.463 431 P HA 0.018 nan 4.420 nan 0.000 0.264 431 P C 0.597 177.908 177.300 0.018 0.000 1.193 431 P CA 0.791 63.904 63.100 0.022 0.000 0.763 431 P CB 0.487 32.193 31.700 0.010 0.000 0.810 432 G N 2.196 111.005 108.800 0.015 0.000 2.234 432 G HA2 -0.052 3.908 3.960 0.000 0.000 0.235 432 G HA3 -0.052 3.908 3.960 0.000 0.000 0.235 432 G C 0.666 175.573 174.900 0.012 0.000 0.997 432 G CA 0.261 45.366 45.100 0.010 0.000 0.623 432 G HN 0.880 nan 8.290 nan 0.000 0.514 433 A N -0.874 121.960 122.820 0.023 0.000 5.584 433 A HA 0.469 4.789 4.320 0.000 0.000 0.303 433 A C 1.697 179.293 177.584 0.019 0.000 1.923 433 A CA 2.645 54.699 52.037 0.027 0.000 0.717 433 A CB -1.569 17.442 19.000 0.018 0.000 1.281 433 A HN 3.241 nan 8.150 nan 0.000 0.379 434 G N -3.024 105.779 108.800 0.006 0.000 2.784 434 G HA2 0.529 4.489 3.960 0.000 0.000 0.686 434 G HA3 0.529 4.489 3.960 0.000 0.000 0.686 434 G C 0.024 174.914 174.900 -0.017 0.000 1.156 434 G CA 0.731 45.825 45.100 -0.009 0.000 0.757 434 G HN 2.760 nan 8.290 nan 0.000 0.642 435 S N 0.452 116.128 115.700 -0.040 0.000 2.652 435 S HA 0.982 5.452 4.470 0.000 0.000 0.270 435 S C 0.721 175.279 174.600 -0.070 0.000 1.243 435 S CA 0.538 58.699 58.200 -0.066 0.000 0.999 435 S CB 2.237 65.380 63.200 -0.094 0.000 0.973 435 S HN 2.561 nan 8.310 nan 0.000 0.544 436 G N 0.310 109.053 108.800 -0.096 0.000 2.523 436 G HA2 0.422 4.382 3.960 0.000 0.000 0.291 436 G HA3 0.422 4.382 3.960 0.000 0.000 0.291 436 G C -1.377 173.445 174.900 -0.130 0.000 1.450 436 G CA -1.131 43.922 45.100 -0.079 0.000 0.790 436 G HN 0.730 nan 8.290 nan 0.000 0.496 437 R N 0.276 120.718 120.500 -0.096 0.000 2.502 437 R HA 0.282 4.622 4.340 0.000 0.000 0.292 437 R C 0.557 176.788 176.300 -0.113 0.000 0.998 437 R CA 0.523 56.526 56.100 -0.162 0.000 1.056 437 R CB 0.086 30.346 30.300 -0.067 0.000 0.939 437 R HN 0.781 nan 8.270 nan 0.000 0.411 438 G N 2.802 111.471 108.800 -0.219 0.000 2.372 438 G HA2 0.431 4.391 3.960 0.000 0.000 0.283 438 G HA3 0.431 4.391 3.960 0.000 0.000 0.283 438 G C -0.852 174.217 174.900 0.283 0.000 1.177 438 G CA -0.543 44.522 45.100 -0.060 0.000 0.842 438 G HN 0.436 nan 8.290 nan 0.000 0.503 439 V N 5.094 125.214 119.914 0.343 0.000 2.555 439 V HA 0.540 4.660 4.120 0.000 0.000 0.302 439 V C -1.831 174.364 176.094 0.168 0.000 1.038 439 V CA -1.351 61.105 62.300 0.260 0.000 0.887 439 V CB 2.383 34.289 31.823 0.138 0.000 0.991 439 V HN 0.717 nan 8.190 nan 0.000 0.434 440 P HA 0.440 nan 4.420 nan 0.000 0.314 440 P C -0.438 177.031 177.300 0.282 0.000 1.306 440 P CA -0.296 62.889 63.100 0.141 0.000 0.782 440 P CB 1.957 33.686 31.700 0.048 0.000 1.337 441 D N -1.521 119.034 120.400 0.258 0.000 2.338 441 D HA 0.093 4.733 4.640 0.000 0.000 0.224 441 D C 0.787 177.115 176.300 0.046 0.000 0.967 441 D CA 1.158 55.354 54.000 0.326 0.000 0.896 441 D CB 0.455 41.443 40.800 0.313 0.000 1.028 441 D HN 0.263 nan 8.370 nan 0.000 0.493 442 V N -2.681 117.251 119.914 0.030 0.000 3.165 442 V HA 0.931 5.052 4.120 0.000 0.000 0.309 442 V C -1.330 174.825 176.094 0.100 0.000 1.267 442 V CA -1.062 61.230 62.300 -0.014 0.000 1.067 442 V CB 1.812 33.609 31.823 -0.042 0.000 1.082 442 V HN 0.077 nan 8.190 nan 0.000 0.451 443 A N -0.791 122.128 122.820 0.164 0.000 2.606 443 A HA 1.062 5.382 4.320 0.000 0.000 0.293 443 A C -0.259 177.501 177.584 0.293 0.000 1.082 443 A CA -0.135 52.027 52.037 0.208 0.000 0.685 443 A CB 1.501 20.552 19.000 0.085 0.000 1.284 443 A HN 2.455 nan 8.150 nan 0.000 0.408 444 G N -0.235 108.684 108.800 0.198 0.000 2.682 444 G HA2 0.479 4.439 3.960 0.000 0.000 0.290 444 G HA3 0.479 4.439 3.960 0.000 0.000 0.290 444 G C -0.988 174.027 174.900 0.191 0.000 1.425 444 G CA -0.731 44.487 45.100 0.198 0.000 0.807 444 G HN 0.991 nan 8.290 nan 0.000 0.482 445 N N -0.308 118.557 118.700 0.275 0.000 2.294 445 N HA 0.327 5.067 4.740 0.000 0.000 0.263 445 N C 0.700 176.267 175.510 0.094 0.000 1.281 445 N CA 1.125 54.237 53.050 0.103 0.000 0.846 445 N CB 0.995 39.427 38.487 -0.092 0.000 1.061 445 N HN 0.850 nan 8.380 nan 0.000 0.478 446 A N 2.720 125.491 122.820 -0.082 0.000 2.701 446 A HA 0.100 4.420 4.320 0.000 0.000 0.241 446 A C -0.084 176.955 177.584 -0.909 0.000 1.231 446 A CA -0.407 51.438 52.037 -0.320 0.000 1.003 446 A CB 0.055 18.893 19.000 -0.270 0.000 1.281 446 A HN 0.644 nan 8.150 nan 0.000 0.600 447 D N 1.095 121.081 120.400 -0.691 0.000 2.325 447 D HA 0.288 4.928 4.640 0.000 0.000 0.251 447 D C -1.762 174.307 176.300 -0.385 0.000 1.196 447 D CA -1.688 51.836 54.000 -0.793 0.000 0.866 447 D CB 1.578 42.245 40.800 -0.221 0.000 1.101 447 D HN -0.011 nan 8.370 nan 0.000 0.476 448 P HA -0.110 nan 4.420 nan 0.000 0.219 448 P C 0.845 178.109 177.300 -0.059 0.000 1.146 448 P CA 1.096 64.131 63.100 -0.108 0.000 0.808 448 P CB 0.228 31.916 31.700 -0.019 0.000 0.779 449 A N -0.781 122.021 122.820 -0.029 0.000 2.121 449 A HA -0.070 4.250 4.320 0.000 0.000 0.218 449 A C 1.472 179.017 177.584 -0.065 0.000 1.154 449 A CA 1.875 53.902 52.037 -0.017 0.000 0.679 449 A CB -1.285 17.736 19.000 0.035 0.000 0.795 449 A HN 0.329 nan 8.150 nan 0.000 0.458 450 T N -3.343 111.159 114.554 -0.087 0.000 3.533 450 T HA 0.523 4.873 4.350 0.000 0.000 0.275 450 T C 0.593 175.214 174.700 -0.131 0.000 1.000 450 T CA 0.152 62.182 62.100 -0.117 0.000 1.015 450 T CB 0.138 69.008 68.868 0.003 0.000 1.153 450 T HN 0.374 nan 8.240 nan 0.000 0.504 451 G N 0.618 109.326 108.800 -0.153 0.000 2.516 451 G HA2 0.518 4.478 3.960 0.000 0.000 0.276 451 G HA3 0.518 4.478 3.960 0.000 0.000 0.276 451 G C -1.079 173.709 174.900 -0.187 0.000 1.390 451 G CA -0.861 44.152 45.100 -0.144 0.000 1.050 451 G HN 0.506 nan 8.290 nan 0.000 0.519 452 Y N -0.118 120.174 120.300 -0.013 0.000 2.330 452 Y HA 0.335 4.885 4.550 0.000 0.000 0.336 452 Y C 0.511 176.408 175.900 -0.006 0.000 1.036 452 Y CA -0.544 57.559 58.100 0.003 0.000 1.125 452 Y CB 1.455 39.893 38.460 -0.036 0.000 1.194 452 Y HN 0.425 nan 8.280 nan 0.000 0.469 453 E N 3.214 123.505 120.200 0.152 0.000 2.290 453 E HA 0.398 4.749 4.350 0.000 0.000 0.277 453 E C -0.647 176.054 176.600 0.167 0.000 1.035 453 E CA -0.449 56.019 56.400 0.113 0.000 0.873 453 E CB 0.816 30.564 29.700 0.080 0.000 1.029 453 E HN 0.459 nan 8.360 nan 0.000 0.419 454 V N -0.447 119.518 119.914 0.085 0.000 3.167 454 V HA 0.631 4.751 4.120 0.000 0.000 0.310 454 V C -0.686 175.418 176.094 0.016 0.000 1.207 454 V CA -1.080 61.211 62.300 -0.016 0.000 1.059 454 V CB 2.036 33.758 31.823 -0.168 0.000 1.079 454 V HN 0.317 nan 8.190 nan 0.000 0.446 455 V N 2.247 122.134 119.914 -0.045 0.000 2.407 455 V HA 0.570 4.690 4.120 0.000 0.000 0.291 455 V C -0.475 175.577 176.094 -0.069 0.000 1.018 455 V CA -0.147 62.147 62.300 -0.009 0.000 0.842 455 V CB 1.157 33.009 31.823 0.048 0.000 0.996 455 V HN 0.733 nan 8.190 nan 0.000 0.426 456 I N 3.712 124.256 120.570 -0.044 0.000 2.418 456 I HA 0.449 4.620 4.170 0.000 0.000 0.287 456 I C -0.246 175.865 176.117 -0.009 0.000 1.008 456 I CA -0.587 60.684 61.300 -0.048 0.000 1.104 456 I CB 1.818 39.782 38.000 -0.061 0.000 1.264 456 I HN 0.557 nan 8.210 nan 0.000 0.438 457 D N 5.599 126.000 120.400 0.002 0.000 2.686 457 D HA -0.198 4.442 4.640 0.000 0.000 0.235 457 D C 1.140 177.450 176.300 0.016 0.000 1.160 457 D CA 1.745 55.755 54.000 0.016 0.000 0.645 457 D CB -0.859 39.952 40.800 0.019 0.000 1.039 457 D HN 1.129 nan 8.370 nan 0.000 0.423 458 G N -0.353 108.457 108.800 0.017 0.000 2.234 458 G HA2 -0.337 3.623 3.960 0.000 0.000 0.260 458 G HA3 -0.337 3.623 3.960 0.000 0.000 0.260 458 G C 0.094 175.004 174.900 0.016 0.000 0.987 458 G CA 0.721 45.832 45.100 0.019 0.000 0.625 458 G HN 0.724 nan 8.290 nan 0.000 0.532 459 E N -0.016 120.192 120.200 0.014 0.000 2.212 459 E HA 0.613 4.963 4.350 0.000 0.000 0.268 459 E C -0.555 176.053 176.600 0.014 0.000 0.902 459 E CA -0.480 55.929 56.400 0.014 0.000 0.779 459 E CB 1.855 31.564 29.700 0.015 0.000 1.172 459 E HN 0.089 nan 8.360 nan 0.000 0.409 460 T N 1.671 116.235 114.554 0.016 0.000 2.794 460 T HA 0.309 4.659 4.350 0.000 0.000 0.296 460 T C -0.498 174.212 174.700 0.017 0.000 0.949 460 T CA 0.265 62.377 62.100 0.021 0.000 1.101 460 T CB 0.911 69.790 68.868 0.018 0.000 0.905 460 T HN 0.618 nan 8.240 nan 0.000 0.516 461 T N 2.857 117.423 114.554 0.020 0.000 2.626 461 T HA 0.630 4.980 4.350 0.000 0.000 0.299 461 T C -1.696 173.019 174.700 0.025 0.000 1.181 461 T CA -0.455 61.657 62.100 0.020 0.000 1.053 461 T CB 1.052 69.936 68.868 0.026 0.000 1.566 461 T HN 0.467 nan 8.240 nan 0.000 0.486 462 V N 2.148 122.079 119.914 0.028 0.000 2.709 462 V HA 0.736 4.856 4.120 0.000 0.000 0.308 462 V C -0.701 175.426 176.094 0.055 0.000 1.062 462 V CA -0.716 61.604 62.300 0.034 0.000 0.901 462 V CB 1.334 33.159 31.823 0.003 0.000 1.003 462 V HN 0.861 nan 8.190 nan 0.000 0.425 463 I N 1.583 122.201 120.570 0.081 0.000 3.002 463 I HA 1.102 5.272 4.170 0.000 0.000 0.310 463 I C 0.227 176.408 176.117 0.106 0.000 1.087 463 I CA -0.257 61.105 61.300 0.103 0.000 1.017 463 I CB 2.057 40.116 38.000 0.097 0.000 1.226 463 I HN 0.686 nan 8.210 nan 0.000 0.443 464 G N 0.179 109.005 108.800 0.044 0.000 3.058 464 G HA2 0.829 4.789 3.960 0.000 0.000 0.282 464 G HA3 0.829 4.789 3.960 0.000 0.000 0.282 464 G C -0.395 174.418 174.900 -0.145 0.000 1.248 464 G CA -0.712 44.328 45.100 -0.100 0.000 0.822 464 G HN 1.790 nan 8.290 nan 0.000 0.579 465 G N -2.262 106.257 108.800 -0.468 0.000 2.663 465 G HA2 0.295 4.255 3.960 0.000 0.000 0.686 465 G HA3 0.295 4.255 3.960 0.000 0.000 0.686 465 G C 0.805 175.645 174.900 -0.100 0.000 1.246 465 G CA 0.554 45.510 45.100 -0.239 0.000 0.795 465 G HN 1.879 nan 8.290 nan 0.000 0.627 466 T N -1.268 113.348 114.554 0.103 0.000 3.051 466 T HA 0.251 4.601 4.350 0.000 0.000 0.269 466 T C 2.546 177.273 174.700 0.046 0.000 1.127 466 T CA 1.889 64.039 62.100 0.083 0.000 1.107 466 T CB -0.081 68.868 68.868 0.135 0.000 0.898 466 T HN 2.064 nan 8.240 nan 0.000 0.517 467 A N 1.604 124.473 122.820 0.083 0.000 2.024 467 A HA 0.240 4.560 4.320 0.000 0.000 0.220 467 A C 2.702 180.235 177.584 -0.084 0.000 1.164 467 A CA 1.631 53.694 52.037 0.042 0.000 0.643 467 A CB -1.163 17.882 19.000 0.075 0.000 0.806 467 A HN 0.749 nan 8.150 nan 0.000 0.451 468 A N -0.871 121.850 122.820 -0.166 0.000 2.067 468 A HA 0.201 4.521 4.320 0.000 0.000 0.217 468 A C 2.055 179.420 177.584 -0.364 0.000 1.156 468 A CA 1.285 53.098 52.037 -0.373 0.000 0.683 468 A CB -0.430 18.173 19.000 -0.662 0.000 0.808 468 A HN 0.349 nan 8.150 nan 0.000 0.455 469 V N -0.253 119.512 119.914 -0.247 0.000 2.488 469 V HA -0.144 3.976 4.120 0.000 0.000 0.246 469 V C 2.976 178.888 176.094 -0.303 0.000 1.046 469 V CA 1.533 63.626 62.300 -0.345 0.000 1.053 469 V CB -1.139 30.537 31.823 -0.245 0.000 0.679 469 V HN 0.556 nan 8.190 nan 0.000 0.458 470 A N 1.410 124.164 122.820 -0.110 0.000 1.865 470 A HA -0.114 4.206 4.320 0.000 0.000 0.217 470 A C 0.761 178.337 177.584 -0.013 0.000 1.191 470 A CA 2.161 54.192 52.037 -0.010 0.000 0.623 470 A CB -1.889 17.133 19.000 0.036 0.000 0.826 470 A HN 0.571 nan 8.150 nan 0.000 0.444 471 P HA -0.101 nan 4.420 nan 0.000 0.219 471 P C 1.692 178.988 177.300 -0.006 0.000 1.150 471 P CA 0.923 64.002 63.100 -0.034 0.000 0.814 471 P CB -0.157 31.494 31.700 -0.081 0.000 0.787 472 L N -0.655 120.513 121.223 -0.091 0.000 1.989 472 L HA -0.126 4.214 4.340 0.000 0.000 0.211 472 L C 2.230 179.269 176.870 0.282 0.000 1.071 472 L CA 2.163 57.004 54.840 0.002 0.000 0.749 472 L CB -1.404 40.519 42.059 -0.227 0.000 0.890 472 L HN -0.218 nan 8.230 nan 0.000 0.431 473 F N -0.192 119.855 119.950 0.162 0.000 2.456 473 F HA 0.162 4.689 4.527 0.000 0.000 0.298 473 F C 2.467 178.277 175.800 0.016 0.000 1.104 473 F CA 0.304 58.354 58.000 0.083 0.000 1.435 473 F CB -1.663 37.361 39.000 0.040 0.000 1.078 473 F HN 0.201 nan 8.300 nan 0.000 0.546 474 A N 0.301 123.236 122.820 0.192 0.000 1.902 474 A HA -0.050 4.270 4.320 0.000 0.000 0.217 474 A C 2.500 180.141 177.584 0.095 0.000 1.181 474 A CA 1.805 53.905 52.037 0.104 0.000 0.623 474 A CB -1.136 17.907 19.000 0.071 0.000 0.818 474 A HN 0.258 nan 8.150 nan 0.000 0.443 475 A N -0.593 122.314 122.820 0.145 0.000 1.930 475 A HA 0.011 4.331 4.320 0.000 0.000 0.217 475 A C 2.103 179.752 177.584 0.109 0.000 1.175 475 A CA 1.652 53.784 52.037 0.158 0.000 0.627 475 A CB -0.558 18.587 19.000 0.242 0.000 0.815 475 A HN 0.708 nan 8.150 nan 0.000 0.443 476 L N 0.007 121.249 121.223 0.031 0.000 2.017 476 L HA -0.105 4.235 4.340 0.000 0.000 0.208 476 L C 2.327 179.071 176.870 -0.211 0.000 1.073 476 L CA 2.011 56.623 54.840 -0.380 0.000 0.745 476 L CB -0.644 40.992 42.059 -0.705 0.000 0.894 476 L HN 0.138 nan 8.230 nan 0.000 0.432 477 V N 0.191 120.042 119.914 -0.104 0.000 2.407 477 V HA -0.257 3.863 4.120 0.000 0.000 0.248 477 V C 2.827 178.890 176.094 -0.052 0.000 1.055 477 V CA 1.495 63.745 62.300 -0.083 0.000 1.049 477 V CB -1.365 30.431 31.823 -0.044 0.000 0.662 477 V HN 0.622 nan 8.190 nan 0.000 0.455 478 A N -0.018 122.790 122.820 -0.019 0.000 1.902 478 A HA -0.229 4.091 4.320 0.000 0.000 0.217 478 A C 2.394 179.973 177.584 -0.010 0.000 1.181 478 A CA 1.805 53.840 52.037 -0.003 0.000 0.623 478 A CB -0.465 18.548 19.000 0.021 0.000 0.818 478 A HN 0.508 nan 8.150 nan 0.000 0.443 479 R N -0.695 119.795 120.500 -0.017 0.000 2.075 479 R HA -0.006 4.334 4.340 0.000 0.000 0.232 479 R C 2.022 178.297 176.300 -0.043 0.000 1.126 479 R CA 1.514 57.605 56.100 -0.016 0.000 0.963 479 R CB -0.457 29.838 30.300 -0.008 0.000 0.858 479 R HN 0.564 nan 8.270 nan 0.000 0.435 480 I N 1.277 121.801 120.570 -0.078 0.000 2.226 480 I HA -0.278 3.892 4.170 0.000 0.000 0.245 480 I C 1.699 177.784 176.117 -0.053 0.000 1.100 480 I CA 1.084 62.334 61.300 -0.084 0.000 1.374 480 I CB -0.343 37.584 38.000 -0.121 0.000 1.057 480 I HN 0.157 nan 8.210 nan 0.000 0.413 481 N N 0.619 119.294 118.700 -0.041 0.000 2.104 481 N HA -0.255 4.485 4.740 0.000 0.000 0.190 481 N C 1.755 177.259 175.510 -0.010 0.000 1.024 481 N CA 1.189 54.227 53.050 -0.021 0.000 0.853 481 N CB -0.429 38.049 38.487 -0.016 0.000 1.008 481 N HN 0.442 nan 8.380 nan 0.000 0.424 482 Q N 0.716 120.510 119.800 -0.010 0.000 2.061 482 Q HA -0.206 4.134 4.340 0.000 0.000 0.204 482 Q C 1.822 177.819 176.000 -0.006 0.000 0.984 482 Q CA 1.737 57.539 55.803 -0.003 0.000 0.846 482 Q CB -0.008 28.730 28.738 0.000 0.000 0.902 482 Q HN 0.069 nan 8.270 nan 0.000 0.421 483 K N 0.442 120.832 120.400 -0.015 0.000 2.057 483 K HA -0.095 4.225 4.320 0.000 0.000 0.207 483 K C 1.953 178.543 176.600 -0.018 0.000 1.049 483 K CA 1.330 57.606 56.287 -0.019 0.000 0.931 483 K CB -0.313 32.167 32.500 -0.032 0.000 0.714 483 K HN 0.309 nan 8.250 nan 0.000 0.440 484 L N -1.244 119.968 121.223 -0.019 0.000 2.217 484 L HA 0.061 4.401 4.340 0.000 0.000 0.211 484 L C 1.550 178.428 176.870 0.013 0.000 1.107 484 L CA 0.875 55.711 54.840 -0.008 0.000 0.783 484 L CB -0.459 41.597 42.059 -0.006 0.000 0.919 484 L HN 0.630 nan 8.230 nan 0.000 0.442 485 G N 0.865 109.673 108.800 0.013 0.000 2.179 485 G HA2 -0.289 3.671 3.960 0.000 0.000 0.260 485 G HA3 -0.289 3.671 3.960 0.000 0.000 0.260 485 G C 0.217 175.137 174.900 0.034 0.000 0.977 485 G CA 0.605 45.717 45.100 0.021 0.000 0.641 485 G HN 0.524 nan 8.290 nan 0.000 0.533 486 K N -0.670 119.754 120.400 0.040 0.000 2.568 486 K HA 0.638 4.958 4.320 0.000 0.000 0.273 486 K C -3.327 173.302 176.600 0.048 0.000 0.951 486 K CA -1.948 54.376 56.287 0.061 0.000 0.854 486 K CB 2.621 35.174 32.500 0.087 0.000 1.424 486 K HN 0.015 nan 8.250 nan 0.000 0.427 487 P HA -0.056 nan 4.420 nan 0.000 0.268 487 P C 1.080 178.386 177.300 0.008 0.000 1.205 487 P CA -0.439 62.660 63.100 -0.001 0.000 0.771 487 P CB 1.155 32.822 31.700 -0.055 0.000 0.858 488 V N 0.296 120.204 119.914 -0.010 0.000 2.719 488 V HA 0.142 4.262 4.120 0.000 0.000 0.252 488 V C 1.400 177.488 176.094 -0.009 0.000 1.065 488 V CA 1.303 63.600 62.300 -0.006 0.000 1.086 488 V CB -1.856 29.947 31.823 -0.033 0.000 0.700 488 V HN 0.898 nan 8.190 nan 0.000 0.467 489 G N 0.073 108.857 108.800 -0.027 0.000 2.583 489 G HA2 -0.399 3.561 3.960 0.000 0.000 0.292 489 G HA3 -0.399 3.561 3.960 0.000 0.000 0.292 489 G C -0.014 174.915 174.900 0.048 0.000 1.203 489 G CA 0.526 45.616 45.100 -0.016 0.000 0.987 489 G HN 1.027 nan 8.290 nan 0.000 0.554 490 Y N 1.421 121.669 120.300 -0.088 0.000 2.650 490 Y HA 0.440 4.990 4.550 0.000 0.000 0.342 490 Y C 1.667 177.487 175.900 -0.133 0.000 1.110 490 Y CA -0.227 57.810 58.100 -0.104 0.000 1.438 490 Y CB 0.089 38.499 38.460 -0.083 0.000 1.181 490 Y HN 0.403 nan 8.280 nan 0.000 0.526 491 L N 4.871 125.950 121.223 -0.240 0.000 2.556 491 L HA -0.046 4.294 4.340 0.000 0.000 0.226 491 L C 1.508 178.074 176.870 -0.506 0.000 1.089 491 L CA -0.041 54.609 54.840 -0.317 0.000 0.864 491 L CB -0.177 41.783 42.059 -0.165 0.000 1.067 491 L HN 0.646 nan 8.230 nan 0.000 0.477 492 N N 0.906 119.122 118.700 -0.807 0.000 2.036 492 N HA -0.176 4.564 4.740 0.000 0.000 0.195 492 N C -0.920 174.077 175.510 -0.855 0.000 1.037 492 N CA 1.649 54.200 53.050 -0.832 0.000 0.855 492 N CB -1.639 36.125 38.487 -1.204 0.000 1.033 492 N HN 0.177 nan 8.380 nan 0.000 0.423 493 P HA -0.057 nan 4.420 nan 0.000 0.215 493 P C 1.275 178.455 177.300 -0.200 0.000 1.153 493 P CA 1.566 64.281 63.100 -0.642 0.000 0.853 493 P CB -0.123 31.201 31.700 -0.626 0.000 0.788 494 T N -0.104 114.304 114.554 -0.243 0.000 2.708 494 T HA -0.117 4.233 4.350 0.000 0.000 0.266 494 T C 1.749 176.437 174.700 -0.020 0.000 1.037 494 T CA 1.122 63.161 62.100 -0.102 0.000 1.146 494 T CB -1.036 67.762 68.868 -0.117 0.000 0.865 494 T HN 0.053 nan 8.240 nan 0.000 0.435 495 L N -0.404 120.801 121.223 -0.030 0.000 2.043 495 L HA -0.155 4.185 4.340 0.000 0.000 0.212 495 L C 2.208 179.086 176.870 0.013 0.000 1.075 495 L CA 1.630 56.490 54.840 0.034 0.000 0.752 495 L CB -0.674 41.365 42.059 -0.035 0.000 0.891 495 L HN 0.325 nan 8.230 nan 0.000 0.432 496 Y N -0.516 119.804 120.300 0.033 0.000 2.578 496 Y HA -0.080 4.470 4.550 0.000 0.000 0.297 496 Y C 2.380 178.314 175.900 0.057 0.000 1.176 496 Y CA 0.531 58.668 58.100 0.062 0.000 1.315 496 Y CB -0.140 38.401 38.460 0.135 0.000 1.031 496 Y HN 0.262 nan 8.280 nan 0.000 0.524 497 Q N -0.506 119.388 119.800 0.157 0.000 2.352 497 Q HA 0.175 4.515 4.340 0.000 0.000 0.212 497 Q C 0.178 176.224 176.000 0.078 0.000 0.888 497 Q CA 0.021 55.885 55.803 0.102 0.000 0.934 497 Q CB 0.595 29.375 28.738 0.069 0.000 1.093 497 Q HN 0.372 nan 8.270 nan 0.000 0.523 498 L N 2.303 123.580 121.223 0.091 0.000 2.452 498 L HA 0.202 4.542 4.340 0.000 0.000 0.267 498 L C -2.025 174.905 176.870 0.100 0.000 1.188 498 L CA -1.837 53.050 54.840 0.077 0.000 0.821 498 L CB -0.269 41.830 42.059 0.068 0.000 1.102 498 L HN -0.124 nan 8.230 nan 0.000 0.470 499 P HA 0.060 nan 4.420 nan 0.000 0.269 499 P C -1.999 175.362 177.300 0.103 0.000 1.209 499 P CA -1.100 62.031 63.100 0.053 0.000 0.776 499 P CB 0.066 31.773 31.700 0.012 0.000 0.876 500 P HA -0.158 nan 4.420 nan 0.000 0.222 500 P C 0.625 178.002 177.300 0.128 0.000 1.147 500 P CA 1.350 64.540 63.100 0.150 0.000 0.790 500 P CB 0.134 31.880 31.700 0.075 0.000 0.780 501 E N -0.172 120.055 120.200 0.045 0.000 2.333 501 E HA -0.080 4.271 4.350 0.000 0.000 0.198 501 E C 1.877 178.441 176.600 -0.060 0.000 1.007 501 E CA 0.557 56.956 56.400 -0.002 0.000 0.845 501 E CB -0.989 28.700 29.700 -0.018 0.000 0.766 501 E HN 0.125 nan 8.360 nan 0.000 0.507 502 V N 0.192 120.024 119.914 -0.136 0.000 3.041 502 V HA -0.054 4.066 4.120 0.000 0.000 0.260 502 V C 0.135 175.829 176.094 -0.667 0.000 1.105 502 V CA 0.929 62.966 62.300 -0.438 0.000 1.125 502 V CB -0.455 30.981 31.823 -0.645 0.000 0.730 502 V HN 0.096 nan 8.190 nan 0.000 0.479 503 F N -1.583 118.324 119.950 -0.072 0.000 2.561 503 F HA 0.504 5.031 4.527 -0.000 0.000 0.321 503 F C 0.200 175.986 175.800 -0.023 0.000 1.065 503 F CA -1.103 56.856 58.000 -0.068 0.000 0.934 503 F CB 0.959 39.897 39.000 -0.102 0.000 1.215 503 F HN -0.153 nan 8.300 nan 0.000 0.471 504 H N 2.298 121.447 119.070 0.131 0.000 2.690 504 H HA 0.130 4.686 4.556 0.000 0.000 0.289 504 H C -1.054 174.316 175.328 0.070 0.000 1.089 504 H CA -0.501 55.597 56.048 0.083 0.000 1.299 504 H CB 0.627 30.437 29.762 0.079 0.000 1.405 504 H HN 0.560 nan 8.280 nan 0.000 0.463 505 D N 4.940 125.252 120.400 -0.147 0.000 2.383 505 D HA 0.061 4.701 4.640 0.000 0.000 0.252 505 D C -0.170 176.118 176.300 -0.020 0.000 1.166 505 D CA -0.199 53.757 54.000 -0.073 0.000 0.879 505 D CB 0.371 41.113 40.800 -0.095 0.000 1.164 505 D HN 0.443 nan 8.370 nan 0.000 0.462 506 I N 2.814 123.406 120.570 0.037 0.000 2.342 506 I HA 0.142 4.312 4.170 0.000 0.000 0.291 506 I C 1.591 177.711 176.117 0.005 0.000 1.010 506 I CA 0.067 61.407 61.300 0.066 0.000 1.308 506 I CB 1.701 39.740 38.000 0.065 0.000 1.400 506 I HN 0.481 nan 8.210 nan 0.000 0.488 507 T N 0.597 115.162 114.554 0.018 0.000 2.975 507 T HA 0.355 4.705 4.350 0.000 0.000 0.261 507 T C 0.426 175.132 174.700 0.011 0.000 0.984 507 T CA -0.214 61.888 62.100 0.002 0.000 0.911 507 T CB -0.007 68.860 68.868 -0.001 0.000 1.127 507 T HN 0.461 nan 8.240 nan 0.000 0.514 508 E N 0.777 120.993 120.200 0.026 0.000 2.199 508 E HA 0.607 4.957 4.350 0.000 0.000 0.269 508 E C -0.043 176.574 176.600 0.030 0.000 0.899 508 E CA -0.774 55.643 56.400 0.027 0.000 0.772 508 E CB 1.873 31.594 29.700 0.036 0.000 1.155 508 E HN 0.553 nan 8.360 nan 0.000 0.408 509 G N 2.376 111.188 108.800 0.020 0.000 2.423 509 G HA2 -0.029 3.931 3.960 0.000 0.000 0.684 509 G HA3 -0.029 3.931 3.960 0.000 0.000 0.684 509 G C -1.348 173.554 174.900 0.004 0.000 1.309 509 G CA -0.606 44.504 45.100 0.018 0.000 0.950 509 G HN 0.739 nan 8.290 nan 0.000 0.587 510 N N -1.951 116.746 118.700 -0.004 0.000 2.610 510 N HA 0.558 5.298 4.740 0.000 0.000 0.264 510 N C -0.212 175.281 175.510 -0.028 0.000 1.348 510 N CA -0.419 52.623 53.050 -0.012 0.000 0.819 510 N CB 1.096 39.571 38.487 -0.021 0.000 1.521 510 N HN 0.937 nan 8.380 nan 0.000 0.497 511 N N -1.446 117.242 118.700 -0.020 0.000 2.389 511 N HA 0.099 4.839 4.740 0.000 0.000 0.260 511 N C -1.196 174.295 175.510 -0.031 0.000 1.191 511 N CA -0.615 52.408 53.050 -0.046 0.000 0.885 511 N CB 0.383 38.856 38.487 -0.024 0.000 1.162 511 N HN 0.476 nan 8.380 nan 0.000 0.512 512 D N 1.792 122.173 120.400 -0.032 0.000 2.313 512 D HA 0.123 4.763 4.640 0.000 0.000 0.239 512 D C 0.829 177.118 176.300 -0.019 0.000 1.142 512 D CA -0.615 53.384 54.000 -0.002 0.000 0.847 512 D CB 1.098 41.889 40.800 -0.016 0.000 1.082 512 D HN 0.517 nan 8.370 nan 0.000 0.480 513 I N 0.726 121.289 120.570 -0.010 0.000 4.081 513 I HA 0.411 4.581 4.170 0.000 0.000 0.333 513 I C 0.897 177.010 176.117 -0.006 0.000 1.413 513 I CA -0.440 60.840 61.300 -0.033 0.000 1.110 513 I CB 0.835 38.790 38.000 -0.075 0.000 1.082 513 I HN 0.211 nan 8.210 nan 0.000 0.402 514 A N 1.881 124.715 122.820 0.023 0.000 2.035 514 A HA 0.296 4.616 4.320 0.000 0.000 0.208 514 A C 0.843 178.434 177.584 0.012 0.000 1.206 514 A CA 0.635 52.682 52.037 0.016 0.000 0.773 514 A CB -0.059 18.950 19.000 0.014 0.000 0.878 514 A HN 0.695 nan 8.150 nan 0.000 0.469 515 N N -2.278 116.438 118.700 0.027 0.000 3.439 515 N HA 0.265 5.005 4.740 0.000 0.000 0.313 515 N C -0.632 174.886 175.510 0.014 0.000 1.598 515 N CA -0.803 52.258 53.050 0.019 0.000 0.830 515 N CB 0.509 39.013 38.487 0.029 0.000 1.849 515 N HN -0.030 nan 8.380 nan 0.000 0.598 516 R N -0.627 119.878 120.500 0.008 0.000 2.317 516 R HA 0.249 4.589 4.340 0.000 0.000 0.208 516 R C 1.318 177.614 176.300 -0.007 0.000 0.914 516 R CA 0.458 56.558 56.100 -0.001 0.000 1.060 516 R CB 0.055 30.353 30.300 -0.002 0.000 1.015 516 R HN 0.613 nan 8.270 nan 0.000 0.498 517 A N 1.245 124.063 122.820 -0.004 0.000 2.209 517 A HA -0.049 4.271 4.320 0.000 0.000 0.212 517 A C 0.506 178.052 177.584 -0.063 0.000 1.158 517 A CA 0.147 52.168 52.037 -0.027 0.000 0.742 517 A CB -0.165 18.826 19.000 -0.015 0.000 0.790 517 A HN 0.329 nan 8.150 nan 0.000 0.472 518 R N -1.413 119.054 120.500 -0.055 0.000 3.267 518 R HA -0.165 4.175 4.340 0.000 0.000 0.254 518 R C 0.522 176.739 176.300 -0.139 0.000 0.993 518 R CA 0.376 56.435 56.100 -0.068 0.000 0.670 518 R CB -1.976 28.296 30.300 -0.048 0.000 1.125 518 R HN 0.437 nan 8.270 nan 0.000 0.434 519 I N 0.108 120.552 120.570 -0.210 0.000 2.139 519 I HA -0.279 3.891 4.170 0.000 0.000 0.211 519 I C 1.510 177.331 176.117 -0.494 0.000 1.000 519 I CA 1.787 62.773 61.300 -0.524 0.000 1.327 519 I CB -0.647 36.815 38.000 -0.897 0.000 1.052 519 I HN 0.166 nan 8.210 nan 0.000 0.385 520 Y N -0.164 120.023 120.300 -0.188 0.000 2.488 520 Y HA 0.399 4.949 4.550 0.000 0.000 0.325 520 Y C 0.782 176.621 175.900 -0.101 0.000 1.204 520 Y CA -0.447 57.562 58.100 -0.151 0.000 1.229 520 Y CB 0.607 38.996 38.460 -0.119 0.000 1.274 520 Y HN 0.212 nan 8.280 nan 0.000 0.493 521 Q N 0.906 120.756 119.800 0.083 0.000 2.345 521 Q HA 0.670 5.011 4.340 0.000 0.000 0.268 521 Q C -0.807 175.199 176.000 0.010 0.000 1.054 521 Q CA -0.861 54.957 55.803 0.025 0.000 0.835 521 Q CB 2.206 30.947 28.738 0.006 0.000 1.339 521 Q HN 0.865 nan 8.270 nan 0.000 0.447 522 A N 0.882 123.694 122.820 -0.013 0.000 2.296 522 A HA 0.830 5.150 4.320 0.000 0.000 0.264 522 A C 0.194 177.767 177.584 -0.018 0.000 1.097 522 A CA 0.624 52.638 52.037 -0.039 0.000 0.811 522 A CB 0.581 19.561 19.000 -0.033 0.000 1.072 522 A HN 0.768 nan 8.150 nan 0.000 0.495 523 G N -1.245 107.539 108.800 -0.026 0.000 2.441 523 G HA2 0.537 4.497 3.960 0.000 0.000 0.294 523 G HA3 0.537 4.497 3.960 0.000 0.000 0.294 523 G C -3.501 171.393 174.900 -0.009 0.000 1.393 523 G CA -0.813 44.283 45.100 -0.005 0.000 0.796 523 G HN 0.502 nan 8.290 nan 0.000 0.494 524 P HA 0.416 nan 4.420 nan 0.000 0.265 524 P C 0.895 178.202 177.300 0.013 0.000 1.193 524 P CA 1.962 65.062 63.100 -0.001 0.000 0.765 524 P CB 0.903 32.606 31.700 0.006 0.000 0.823 525 G N 2.105 110.905 108.800 0.002 0.000 2.593 525 G HA2 -0.233 3.727 3.960 0.000 0.000 0.237 525 G HA3 -0.233 3.727 3.960 0.000 0.000 0.237 525 G C -1.021 173.902 174.900 0.037 0.000 1.312 525 G CA -0.474 44.643 45.100 0.029 0.000 0.896 525 G HN 0.598 nan 8.290 nan 0.000 0.574 526 W N 2.634 123.891 121.300 -0.071 0.000 2.210 526 W HA 0.484 5.144 4.660 -0.000 0.000 0.330 526 W C 0.489 176.985 176.519 -0.039 0.000 1.334 526 W CA 0.918 58.224 57.345 -0.066 0.000 1.227 526 W CB 0.431 29.881 29.460 -0.017 0.000 1.178 526 W HN 0.922 nan 8.180 nan 0.000 0.560 527 D N 3.914 123.882 120.400 -0.720 0.000 2.570 527 D HA 0.377 5.017 4.640 0.000 0.000 0.244 527 D C -2.612 172.921 176.300 -1.279 0.000 1.178 527 D CA -1.987 51.669 54.000 -0.572 0.000 0.881 527 D CB 1.820 42.470 40.800 -0.251 0.000 1.453 527 D HN 0.033 nan 8.370 nan 0.000 0.447 528 P HA 0.225 nan 4.420 nan 0.000 0.253 528 P C -0.085 177.027 177.300 -0.314 0.000 1.508 528 P CA 0.030 62.828 63.100 -0.502 0.000 0.883 528 P CB -0.118 31.317 31.700 -0.441 0.000 1.519 529 C N -2.504 116.604 119.300 -0.321 0.000 2.553 529 C HA 0.135 4.595 4.460 0.000 0.000 0.447 529 C C 1.877 176.765 174.990 -0.170 0.000 1.351 529 C CA 1.062 59.985 59.018 -0.158 0.000 2.354 529 C CB -0.478 27.210 27.740 -0.087 0.000 2.905 529 C HN 0.295 nan 8.230 nan 0.000 0.554 530 T N -2.444 111.937 114.554 -0.287 0.000 3.087 530 T HA 0.480 4.830 4.350 0.000 0.000 0.283 530 T C 1.109 175.584 174.700 -0.375 0.000 0.956 530 T CA 1.161 63.125 62.100 -0.226 0.000 0.894 530 T CB 0.212 69.006 68.868 -0.123 0.000 1.160 530 T HN 0.901 nan 8.240 nan 0.000 0.532 531 G N 2.865 111.201 108.800 -0.773 0.000 2.611 531 G HA2 -0.320 3.640 3.960 0.000 0.000 0.301 531 G HA3 -0.320 3.640 3.960 0.000 0.000 0.301 531 G C 0.632 175.092 174.900 -0.733 0.000 1.233 531 G CA 0.359 44.818 45.100 -1.067 0.000 0.993 531 G HN 0.555 nan 8.290 nan 0.000 0.553 532 L N 2.611 123.548 121.223 -0.477 0.000 2.551 532 L HA 0.410 4.750 4.340 0.000 0.000 0.228 532 L C 1.823 178.412 176.870 -0.469 0.000 1.153 532 L CA 0.977 55.448 54.840 -0.616 0.000 0.851 532 L CB -1.206 40.072 42.059 -1.302 0.000 0.959 532 L HN 1.891 nan 8.230 nan 0.000 0.451 533 G N -0.257 108.382 108.800 -0.268 0.000 2.500 533 G HA2 -0.197 3.763 3.960 0.000 0.000 0.209 533 G HA3 -0.197 3.763 3.960 0.000 0.000 0.209 533 G C -0.373 174.538 174.900 0.018 0.000 1.283 533 G CA -0.323 44.737 45.100 -0.066 0.000 0.960 533 G HN 0.251 nan 8.290 nan 0.000 0.528 534 S N 0.814 116.549 115.700 0.059 0.000 2.499 534 S HA 0.695 5.165 4.470 0.000 0.000 0.279 534 S C -2.465 172.089 174.600 -0.077 0.000 1.219 534 S CA -0.995 57.137 58.200 -0.114 0.000 1.062 534 S CB 1.833 64.787 63.200 -0.411 0.000 0.978 534 S HN 0.588 nan 8.310 nan 0.000 0.489 535 P HA 0.262 nan 4.420 nan 0.000 0.271 535 P C -0.757 176.412 177.300 -0.219 0.000 1.218 535 P CA -0.273 62.643 63.100 -0.307 0.000 0.780 535 P CB 0.293 31.673 31.700 -0.532 0.000 0.901 536 I N 2.460 122.891 120.570 -0.231 0.000 2.307 536 I HA 0.161 4.331 4.170 0.000 0.000 0.287 536 I C 1.789 177.827 176.117 -0.131 0.000 1.054 536 I CA -0.083 61.171 61.300 -0.077 0.000 1.218 536 I CB 0.715 38.678 38.000 -0.062 0.000 1.398 536 I HN 0.496 nan 8.210 nan 0.000 0.475 537 G N 6.974 115.750 108.800 -0.039 0.000 2.599 537 G HA2 -0.299 3.661 3.960 0.000 0.000 0.219 537 G HA3 -0.299 3.661 3.960 0.000 0.000 0.219 537 G C 1.421 176.247 174.900 -0.123 0.000 1.193 537 G CA 1.520 46.549 45.100 -0.119 0.000 0.778 537 G HN 0.807 nan 8.290 nan 0.000 0.589 538 I N -1.670 118.870 120.570 -0.050 0.000 2.361 538 I HA -0.046 4.124 4.170 0.000 0.000 0.251 538 I C 2.729 178.788 176.117 -0.096 0.000 1.133 538 I CA 1.389 62.654 61.300 -0.058 0.000 1.413 538 I CB -0.373 37.615 38.000 -0.019 0.000 1.073 538 I HN 0.044 nan 8.210 nan 0.000 0.424 539 R N 0.695 121.124 120.500 -0.118 0.000 2.090 539 R HA -0.048 4.292 4.340 0.000 0.000 0.228 539 R C 2.355 178.532 176.300 -0.204 0.000 1.110 539 R CA 1.339 57.350 56.100 -0.148 0.000 0.973 539 R CB -0.496 29.709 30.300 -0.159 0.000 0.869 539 R HN 0.339 nan 8.270 nan 0.000 0.440 540 L N 1.194 122.260 121.223 -0.262 0.000 2.046 540 L HA -0.130 4.210 4.340 0.000 0.000 0.208 540 L C 2.045 178.787 176.870 -0.214 0.000 1.077 540 L CA 1.487 56.150 54.840 -0.295 0.000 0.747 540 L CB -0.629 41.216 42.059 -0.357 0.000 0.896 540 L HN 0.112 nan 8.230 nan 0.000 0.432 541 L N -0.273 120.840 121.223 -0.184 0.000 1.989 541 L HA -0.246 4.094 4.340 0.000 0.000 0.211 541 L C 2.479 179.265 176.870 -0.140 0.000 1.071 541 L CA 1.921 56.671 54.840 -0.150 0.000 0.749 541 L CB -0.937 41.049 42.059 -0.122 0.000 0.890 541 L HN 0.458 nan 8.230 nan 0.000 0.431 542 Q N -0.583 119.142 119.800 -0.126 0.000 2.135 542 Q HA -0.193 4.147 4.340 0.000 0.000 0.204 542 Q C 2.174 178.096 176.000 -0.130 0.000 0.981 542 Q CA 1.734 57.469 55.803 -0.114 0.000 0.856 542 Q CB -0.392 28.290 28.738 -0.093 0.000 0.902 542 Q HN 0.726 nan 8.270 nan 0.000 0.425 543 A N 0.285 123.020 122.820 -0.141 0.000 2.066 543 A HA -0.067 4.253 4.320 0.000 0.000 0.218 543 A C 1.832 179.325 177.584 -0.152 0.000 1.157 543 A CA 0.817 52.774 52.037 -0.133 0.000 0.670 543 A CB -0.225 18.694 19.000 -0.136 0.000 0.804 543 A HN 0.279 nan 8.150 nan 0.000 0.453 544 L N -0.731 120.385 121.223 -0.178 0.000 2.529 544 L HA 0.209 4.549 4.340 0.000 0.000 0.223 544 L C 0.323 176.963 176.870 -0.383 0.000 1.113 544 L CA -0.247 54.467 54.840 -0.211 0.000 0.861 544 L CB -0.176 41.792 42.059 -0.150 0.000 1.012 544 L HN 0.237 nan 8.230 nan 0.000 0.461 545 L N 1.518 122.551 121.223 -0.316 0.000 2.417 545 L HA 0.193 4.534 4.340 0.000 0.000 0.268 545 L C -1.503 175.093 176.870 -0.457 0.000 1.158 545 L CA -1.601 53.040 54.840 -0.332 0.000 0.819 545 L CB 0.330 42.284 42.059 -0.175 0.000 1.112 545 L HN -0.086 nan 8.230 nan 0.000 0.458 546 P HA 0.000 nan 4.420 nan 0.000 0.216 546 P CA 0.000 63.023 63.100 -0.128 0.000 0.800 546 P CB 0.000 31.796 31.700 0.159 0.000 0.726