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 1tmq_1_A DATA FIRST_RESID 2 DATA SEQUENCE KDANFASGRN SIVHLFEWKW NDIADEcERF LQPQGFGGVQ ISPPNEYLVA DATA SEQUENCE DGRPWWERYQ PVSYIINTRS GDESAFTDMT RRcNDAGVRI YVDAVINHMT DATA SEQUENCE GMNGVGTSGS SADHDGMNYP AVPYGSGDFH SPcEVNNYQD ADNVRNcELV DATA SEQUENCE GLRDLNQGSD YVRGVLIDYM NHMIDLGVAG FRVDAAKHMS PGDLSVIFSG DATA SEQUENCE LKNLNTDYGF ADGARPFIYQ EVIDLGGEAI SKNEYTGFGC VLEFQFGVSL DATA SEQUENCE GNAFQGGNQL KNLANWGPEW GLLEGLDAVV FVDNHDNQRT GGSQILTYKN DATA SEQUENCE PKPYKMAIAF MLAHPYGTTR IMSSFDFTDN DQGPPQDGSG NLISPGINDD DATA SEQUENCE NTcSNGYVcE HRWRQVYGMV GFRNAVEGTQ VENWWSNDDN QIAFSRGSQG DATA SEQUENCE FVAFTNGGDL NQNLNTGLPA GTYcDVISGE LSGGScTGKS VTVGDNGSAD DATA SEQUENCE ISLGSAEDDG VLAIHVNAKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.668 176.600 0.113 0.000 0.988 2 K CA 0.000 56.436 56.287 0.248 0.000 0.838 2 K CB 0.000 32.568 32.500 0.113 0.000 1.064 3 D N 1.033 121.445 120.400 0.019 0.000 2.349 3 D HA 0.394 5.034 4.640 0.000 0.000 0.232 3 D C 0.933 176.861 176.300 -0.619 0.000 1.071 3 D CA -0.305 53.545 54.000 -0.250 0.000 0.832 3 D CB 1.721 42.450 40.800 -0.119 0.000 1.086 3 D HN 0.199 nan 8.370 nan 0.000 0.504 4 A N 4.222 126.333 122.820 -1.181 0.000 2.125 4 A HA -0.155 4.166 4.320 0.000 0.000 0.219 4 A C 0.995 178.130 177.584 -0.748 0.000 1.156 4 A CA 0.682 51.749 52.037 -1.617 0.000 0.671 4 A CB -0.433 17.305 19.000 -2.105 0.000 0.794 4 A HN 0.790 nan 8.150 nan 0.000 0.459 5 N N -1.885 116.569 118.700 -0.409 0.000 2.747 5 N HA -0.148 4.592 4.740 0.000 0.000 0.249 5 N C -0.602 174.956 175.510 0.081 0.000 1.107 5 N CA 0.984 54.005 53.050 -0.048 0.000 0.707 5 N CB -1.765 36.789 38.487 0.112 0.000 1.054 5 N HN 0.377 nan 8.380 nan 0.000 0.555 6 F N 0.885 120.847 119.950 0.019 0.000 2.480 6 F HA 0.368 4.895 4.527 0.000 0.000 0.319 6 F C 1.647 177.443 175.800 -0.006 0.000 1.230 6 F CA -0.578 57.430 58.000 0.014 0.000 1.285 6 F CB 0.136 39.122 39.000 -0.024 0.000 1.208 6 F HN 0.109 nan 8.300 nan 0.000 0.579 7 A N 0.891 123.829 122.820 0.197 0.000 2.286 7 A HA 0.425 4.745 4.320 0.000 0.000 0.286 7 A C 0.110 177.727 177.584 0.054 0.000 1.097 7 A CA -0.444 51.630 52.037 0.062 0.000 0.821 7 A CB 0.239 19.240 19.000 0.001 0.000 1.076 7 A HN 0.633 nan 8.150 nan 0.000 0.490 8 S N -0.205 115.509 115.700 0.023 0.000 2.537 8 S HA 0.405 4.875 4.470 0.000 0.000 0.286 8 S C 1.360 175.953 174.600 -0.013 0.000 1.299 8 S CA 1.111 59.318 58.200 0.012 0.000 1.067 8 S CB -0.199 63.002 63.200 0.003 0.000 0.864 8 S HN 2.427 nan 8.310 nan 0.000 0.494 9 G N 4.173 112.960 108.800 -0.022 0.000 2.143 9 G HA2 -0.180 3.780 3.960 0.000 0.000 0.249 9 G HA3 -0.180 3.780 3.960 0.000 0.000 0.249 9 G C -0.026 174.820 174.900 -0.091 0.000 0.981 9 G CA -0.043 45.028 45.100 -0.049 0.000 0.665 9 G HN 0.675 nan 8.290 nan 0.000 0.528 10 R N 0.132 120.560 120.500 -0.120 0.000 2.778 10 R HA 0.719 5.059 4.340 0.000 0.000 0.277 10 R C 0.117 176.163 176.300 -0.424 0.000 0.977 10 R CA -0.285 55.669 56.100 -0.244 0.000 0.950 10 R CB 1.451 31.608 30.300 -0.239 0.000 1.165 10 R HN 0.714 nan 8.270 nan 0.000 0.474 11 N N -2.215 116.152 118.700 -0.555 0.000 2.591 11 N HA 0.457 5.197 4.740 0.000 0.000 0.263 11 N C -1.597 173.566 175.510 -0.578 0.000 1.308 11 N CA -0.693 51.976 53.050 -0.634 0.000 0.837 11 N CB 1.673 39.998 38.487 -0.270 0.000 1.548 11 N HN 0.481 nan 8.380 nan 0.000 0.493 12 S N -0.913 114.555 115.700 -0.387 0.000 3.161 12 S HA -0.087 4.383 4.470 0.000 0.000 0.856 12 S C -0.967 173.662 174.600 0.048 0.000 1.047 12 S CA -0.134 58.017 58.200 -0.081 0.000 1.225 12 S CB -0.875 62.295 63.200 -0.050 0.000 0.864 12 S HN 0.638 nan 8.310 nan 0.000 0.251 13 I N 2.372 123.040 120.570 0.164 0.000 2.441 13 I HA 0.562 4.732 4.170 0.000 0.000 0.295 13 I C -0.189 176.031 176.117 0.172 0.000 0.994 13 I CA -0.873 60.549 61.300 0.203 0.000 1.144 13 I CB 1.835 39.875 38.000 0.067 0.000 1.314 13 I HN 0.420 nan 8.210 nan 0.000 0.445 14 V N 4.956 124.957 119.914 0.146 0.000 2.417 14 V HA 0.199 4.319 4.120 0.000 0.000 0.291 14 V C 0.013 176.134 176.094 0.044 0.000 1.024 14 V CA -0.653 61.671 62.300 0.041 0.000 0.861 14 V CB 1.297 33.012 31.823 -0.179 0.000 0.985 14 V HN 0.677 nan 8.190 nan 0.000 0.436 15 H N 5.813 124.848 119.070 -0.057 0.000 3.109 15 H HA 0.321 4.877 4.556 0.000 0.000 0.266 15 H C -0.221 175.046 175.328 -0.102 0.000 1.334 15 H CA -0.698 55.329 56.048 -0.034 0.000 1.456 15 H CB 0.450 30.201 29.762 -0.018 0.000 1.587 15 H HN 0.570 nan 8.280 nan 0.000 0.500 16 L N 7.018 128.144 121.223 -0.161 0.000 2.382 16 L HA -0.010 4.330 4.340 0.000 0.000 0.259 16 L C 0.104 176.887 176.870 -0.145 0.000 1.291 16 L CA -0.383 54.129 54.840 -0.547 0.000 1.176 16 L CB -0.719 40.771 42.059 -0.948 0.000 1.373 16 L HN 0.551 nan 8.230 nan 0.000 0.426 17 F N 4.747 124.462 119.950 -0.390 0.000 2.539 17 F HA -0.044 4.483 4.527 0.000 0.000 0.393 17 F C 1.286 177.268 175.800 0.302 0.000 1.032 17 F CA 0.163 57.992 58.000 -0.284 0.000 1.120 17 F CB -0.341 38.445 39.000 -0.357 0.000 1.014 17 F HN 0.518 nan 8.300 nan 0.000 0.546 18 E N 2.406 122.750 120.200 0.240 0.000 3.413 18 E HA -0.292 4.058 4.350 0.000 0.000 0.300 18 E C -0.617 176.127 176.600 0.240 0.000 0.891 18 E CA 0.777 57.248 56.400 0.118 0.000 1.050 18 E CB -1.804 27.802 29.700 -0.157 0.000 1.534 18 E HN 0.596 nan 8.360 nan 0.000 0.436 19 W N 1.732 123.046 121.300 0.024 0.000 2.215 19 W HA 0.312 4.972 4.660 0.000 0.000 0.342 19 W C 1.519 177.981 176.519 -0.095 0.000 1.237 19 W CA -0.139 57.180 57.345 -0.043 0.000 1.283 19 W CB 0.396 29.852 29.460 -0.007 0.000 1.131 19 W HN -0.216 nan 8.180 nan 0.000 0.606 20 K N 0.843 121.276 120.400 0.056 0.000 2.098 20 K HA 0.148 4.468 4.320 0.000 0.000 0.244 20 K C 1.017 177.741 176.600 0.205 0.000 1.014 20 K CA -0.557 55.637 56.287 -0.156 0.000 0.917 20 K CB 0.916 33.318 32.500 -0.163 0.000 1.072 20 K HN 0.632 nan 8.250 nan 0.000 0.477 21 W N 0.560 121.934 121.300 0.124 0.000 2.388 21 W HA -0.146 4.514 4.660 0.000 0.000 0.294 21 W C 1.737 178.293 176.519 0.061 0.000 1.212 21 W CA -0.244 57.154 57.345 0.088 0.000 1.271 21 W CB -0.237 29.279 29.460 0.093 0.000 1.126 21 W HN 0.591 nan 8.180 nan 0.000 0.535 22 N N 0.831 119.685 118.700 0.258 0.000 2.084 22 N HA -0.166 4.574 4.740 0.000 0.000 0.190 22 N C 1.080 176.674 175.510 0.141 0.000 1.030 22 N CA 1.721 54.863 53.050 0.153 0.000 0.849 22 N CB -0.767 37.769 38.487 0.082 0.000 1.012 22 N HN 0.096 nan 8.380 nan 0.000 0.423 23 D N 0.320 120.806 120.400 0.144 0.000 2.178 23 D HA -0.029 4.611 4.640 0.000 0.000 0.202 23 D C 2.038 178.551 176.300 0.356 0.000 0.974 23 D CA 0.446 54.547 54.000 0.167 0.000 0.841 23 D CB -0.041 40.765 40.800 0.010 0.000 0.953 23 D HN 0.321 nan 8.370 nan 0.000 0.478 24 I N 1.148 121.944 120.570 0.376 0.000 2.286 24 I HA -0.190 3.980 4.170 0.000 0.000 0.245 24 I C 2.497 178.698 176.117 0.140 0.000 1.104 24 I CA 0.652 62.111 61.300 0.265 0.000 1.397 24 I CB -0.141 38.009 38.000 0.249 0.000 1.072 24 I HN -0.096 nan 8.210 nan 0.000 0.417 25 A N 0.639 123.536 122.820 0.128 0.000 1.908 25 A HA -0.262 4.058 4.320 0.000 0.000 0.218 25 A C 1.929 179.556 177.584 0.073 0.000 1.181 25 A CA 2.193 54.270 52.037 0.067 0.000 0.627 25 A CB -0.576 18.463 19.000 0.065 0.000 0.818 25 A HN 0.348 nan 8.150 nan 0.000 0.445 26 D N -0.882 119.580 120.400 0.103 0.000 2.097 26 D HA -0.109 4.531 4.640 0.000 0.000 0.197 26 D C 1.924 178.294 176.300 0.116 0.000 0.984 26 D CA 1.589 55.647 54.000 0.096 0.000 0.826 26 D CB -0.418 40.439 40.800 0.095 0.000 0.973 26 D HN 0.562 nan 8.370 nan 0.000 0.460 27 E N 0.196 120.496 120.200 0.167 0.000 2.160 27 E HA -0.146 4.204 4.350 0.000 0.000 0.195 27 E C 2.017 178.684 176.600 0.111 0.000 0.991 27 E CA 0.829 57.335 56.400 0.176 0.000 0.810 27 E CB -0.233 29.584 29.700 0.196 0.000 0.742 27 E HN 0.195 nan 8.360 nan 0.000 0.466 28 c N 0.447 119.082 118.600 0.058 0.000 2.432 28 c HA -0.115 4.455 4.570 0.000 0.000 0.277 28 c C 2.365 176.473 174.090 0.030 0.000 1.249 28 c CA 1.202 57.544 56.329 0.022 0.000 1.725 28 c CB -0.888 41.619 42.510 -0.005 0.000 2.028 28 c HN 0.544 nan 8.230 nan 0.000 0.477 29 E N 0.484 120.706 120.200 0.038 0.000 2.028 29 E HA -0.162 4.188 4.350 0.000 0.000 0.190 29 E C 2.378 179.003 176.600 0.042 0.000 0.984 29 E CA 0.962 57.380 56.400 0.029 0.000 0.800 29 E CB -0.295 29.421 29.700 0.026 0.000 0.758 29 E HN 0.681 nan 8.360 nan 0.000 0.448 30 R N -0.435 120.110 120.500 0.076 0.000 2.193 30 R HA -0.010 4.330 4.340 0.000 0.000 0.213 30 R C 1.419 177.812 176.300 0.156 0.000 1.055 30 R CA 1.135 57.293 56.100 0.097 0.000 0.995 30 R CB 0.043 30.405 30.300 0.103 0.000 0.893 30 R HN 0.216 nan 8.270 nan 0.000 0.459 31 F N -0.781 119.156 119.950 -0.022 0.000 2.244 31 F HA 0.202 4.729 4.527 0.000 0.000 0.272 31 F C 1.406 177.175 175.800 -0.051 0.000 0.882 31 F CA -0.397 57.569 58.000 -0.056 0.000 1.101 31 F CB 0.037 38.990 39.000 -0.078 0.000 1.097 31 F HN -0.173 nan 8.300 nan 0.000 0.762 32 L N 1.507 122.761 121.223 0.052 0.000 1.989 32 L HA -0.231 4.109 4.340 0.000 0.000 0.211 32 L C 2.559 179.444 176.870 0.024 0.000 1.071 32 L CA 2.514 57.331 54.840 -0.038 0.000 0.749 32 L CB -1.371 40.666 42.059 -0.036 0.000 0.890 32 L HN 0.444 nan 8.230 nan 0.000 0.431 33 Q N -0.493 119.304 119.800 -0.005 0.000 2.002 33 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 33 Q C -0.400 175.571 176.000 -0.048 0.000 0.988 33 Q CA 2.249 58.044 55.803 -0.015 0.000 0.843 33 Q CB -1.025 27.702 28.738 -0.019 0.000 0.908 33 Q HN 0.282 nan 8.270 nan 0.000 0.420 34 P HA -0.164 nan 4.420 nan 0.000 0.217 34 P C 0.698 177.905 177.300 -0.155 0.000 1.148 34 P CA 1.300 64.329 63.100 -0.120 0.000 0.828 34 P CB -0.015 31.596 31.700 -0.147 0.000 0.783 35 Q N -1.735 117.938 119.800 -0.212 0.000 2.403 35 Q HA 0.204 4.544 4.340 0.000 0.000 0.203 35 Q C 1.109 177.070 176.000 -0.066 0.000 0.932 35 Q CA 0.698 56.400 55.803 -0.168 0.000 0.945 35 Q CB -0.583 27.989 28.738 -0.276 0.000 1.045 35 Q HN 0.231 nan 8.270 nan 0.000 0.511 36 G N 1.531 110.314 108.800 -0.029 0.000 2.333 36 G HA2 -0.266 3.694 3.960 0.000 0.000 0.296 36 G HA3 -0.266 3.694 3.960 0.000 0.000 0.296 36 G C -0.506 174.306 174.900 -0.147 0.000 1.059 36 G CA -0.135 44.915 45.100 -0.082 0.000 1.050 36 G HN 0.196 nan 8.290 nan 0.000 0.508 37 F N -0.370 119.494 119.950 -0.143 0.000 2.397 37 F HA 0.582 5.109 4.527 0.000 0.000 0.331 37 F C 1.695 177.352 175.800 -0.239 0.000 1.090 37 F CA 0.449 58.357 58.000 -0.153 0.000 1.065 37 F CB 1.650 40.617 39.000 -0.055 0.000 1.184 37 F HN 0.048 nan 8.300 nan 0.000 0.499 38 G N 0.764 109.396 108.800 -0.280 0.000 2.426 38 G HA2 0.419 4.379 3.960 0.000 0.000 0.214 38 G HA3 0.419 4.379 3.960 0.000 0.000 0.214 38 G C 0.372 175.292 174.900 0.033 0.000 1.156 38 G CA 0.624 45.367 45.100 -0.595 0.000 0.802 38 G HN 0.984 nan 8.290 nan 0.000 0.534 39 G N -1.810 107.128 108.800 0.229 0.000 2.559 39 G HA2 0.461 4.421 3.960 0.000 0.000 0.291 39 G HA3 0.461 4.421 3.960 0.000 0.000 0.291 39 G C -2.136 172.949 174.900 0.310 0.000 1.424 39 G CA -0.382 44.963 45.100 0.408 0.000 0.786 39 G HN 0.390 nan 8.290 nan 0.000 0.485 40 V N 0.551 120.611 119.914 0.244 0.000 2.487 40 V HA 0.508 4.628 4.120 0.000 0.000 0.298 40 V C -0.060 176.200 176.094 0.277 0.000 1.028 40 V CA -0.635 61.757 62.300 0.153 0.000 0.860 40 V CB 1.574 33.392 31.823 -0.007 0.000 0.991 40 V HN 0.770 nan 8.190 nan 0.000 0.427 41 Q N 5.103 125.076 119.800 0.290 0.000 2.360 41 Q HA 0.506 4.846 4.340 0.000 0.000 0.254 41 Q C -0.309 175.882 176.000 0.318 0.000 0.975 41 Q CA -0.423 55.567 55.803 0.312 0.000 0.912 41 Q CB 1.126 29.990 28.738 0.211 0.000 1.212 41 Q HN 0.869 nan 8.270 nan 0.000 0.452 42 I N -0.011 120.728 120.570 0.282 0.000 2.970 42 I HA 0.439 4.609 4.170 0.000 0.000 0.310 42 I C 0.011 176.400 176.117 0.454 0.000 1.010 42 I CA -0.772 60.758 61.300 0.382 0.000 1.228 42 I CB 1.432 39.609 38.000 0.295 0.000 1.433 42 I HN 0.318 nan 8.210 nan 0.000 0.573 43 S N 2.978 119.012 115.700 0.557 0.000 2.603 43 S HA 0.305 4.775 4.470 0.000 0.000 0.268 43 S C -2.292 172.563 174.600 0.426 0.000 1.317 43 S CA -0.708 57.772 58.200 0.467 0.000 1.012 43 S CB 0.440 63.886 63.200 0.411 0.000 0.926 43 S HN 0.539 nan 8.310 nan 0.000 0.539 44 P HA -0.005 nan 4.420 nan 0.000 0.257 44 P C -1.956 175.598 177.300 0.423 0.000 1.162 44 P CA -0.448 62.796 63.100 0.240 0.000 0.762 44 P CB 0.101 31.793 31.700 -0.015 0.000 0.753 45 P HA 0.037 nan 4.420 nan 0.000 0.267 45 P C -0.348 177.172 177.300 0.366 0.000 1.289 45 P CA 0.275 63.717 63.100 0.570 0.000 0.866 45 P CB 0.112 32.060 31.700 0.412 0.000 1.309 46 N N -0.469 118.420 118.700 0.314 0.000 2.487 46 N HA 0.117 4.857 4.740 0.000 0.000 0.292 46 N C -0.144 175.426 175.510 0.100 0.000 1.108 46 N CA -0.816 52.335 53.050 0.168 0.000 0.956 46 N CB 0.817 39.342 38.487 0.063 0.000 1.176 46 N HN -0.184 nan 8.380 nan 0.000 0.484 47 E N 0.952 121.122 120.200 -0.049 0.000 2.652 47 E HA -0.098 4.253 4.350 0.000 0.000 0.255 47 E C -1.037 175.491 176.600 -0.119 0.000 0.952 47 E CA 0.136 56.428 56.400 -0.178 0.000 0.947 47 E CB 0.167 29.772 29.700 -0.157 0.000 0.912 47 E HN 0.632 nan 8.360 nan 0.000 0.489 48 Y N 1.821 122.112 120.300 -0.016 0.000 2.662 48 Y HA 0.478 5.028 4.550 0.000 0.000 0.335 48 Y C -0.793 175.116 175.900 0.016 0.000 1.066 48 Y CA -1.707 56.393 58.100 0.001 0.000 1.116 48 Y CB 0.249 38.714 38.460 0.008 0.000 1.308 48 Y HN 0.373 nan 8.280 nan 0.000 0.502 49 L N 1.664 123.051 121.223 0.273 0.000 2.453 49 L HA 0.347 4.687 4.340 0.000 0.000 0.272 49 L C -0.554 176.420 176.870 0.173 0.000 1.182 49 L CA -0.045 54.900 54.840 0.174 0.000 0.858 49 L CB 0.662 42.826 42.059 0.175 0.000 1.120 49 L HN 0.590 nan 8.230 nan 0.000 0.474 50 V N 6.388 126.342 119.914 0.067 0.000 2.405 50 V HA 0.494 4.614 4.120 0.000 0.000 0.264 50 V C 0.630 176.734 176.094 0.017 0.000 1.048 50 V CA -0.072 62.250 62.300 0.038 0.000 0.966 50 V CB 0.161 31.980 31.823 -0.007 0.000 1.015 50 V HN 0.940 nan 8.190 nan 0.000 0.477 51 A N 3.556 126.364 122.820 -0.020 0.000 2.312 51 A HA 0.521 4.841 4.320 0.000 0.000 0.328 51 A C -0.112 177.414 177.584 -0.097 0.000 1.158 51 A CA -0.673 51.324 52.037 -0.068 0.000 0.821 51 A CB 0.525 19.421 19.000 -0.173 0.000 1.170 51 A HN 0.826 nan 8.150 nan 0.000 0.490 52 D N 0.602 120.967 120.400 -0.059 0.000 2.531 52 D HA 0.362 5.002 4.640 0.000 0.000 0.239 52 D C 1.392 177.640 176.300 -0.086 0.000 1.144 52 D CA 2.352 56.323 54.000 -0.049 0.000 0.869 52 D CB 0.247 41.040 40.800 -0.011 0.000 1.160 52 D HN 1.112 nan 8.370 nan 0.000 0.484 53 G N 3.591 112.345 108.800 -0.077 0.000 2.217 53 G HA2 -0.347 3.613 3.960 0.000 0.000 0.246 53 G HA3 -0.347 3.613 3.960 0.000 0.000 0.246 53 G C 0.316 175.137 174.900 -0.132 0.000 0.990 53 G CA -0.023 45.026 45.100 -0.086 0.000 0.627 53 G HN 0.630 nan 8.290 nan 0.000 0.522 54 R N -1.113 119.287 120.500 -0.166 0.000 3.188 54 R HA -0.146 4.194 4.340 0.000 0.000 0.247 54 R C -1.952 174.198 176.300 -0.249 0.000 0.918 54 R CA 1.398 57.390 56.100 -0.180 0.000 0.629 54 R CB -2.658 27.577 30.300 -0.107 0.000 1.087 54 R HN 0.639 nan 8.270 nan 0.000 0.462 55 P HA -0.006 nan 4.420 nan 0.000 0.274 55 P C 1.524 178.582 177.300 -0.404 0.000 1.256 55 P CA -0.572 62.211 63.100 -0.529 0.000 0.795 55 P CB 0.222 31.222 31.700 -1.167 0.000 1.038 56 W N 2.123 123.316 121.300 -0.178 0.000 2.363 56 W HA -0.121 4.539 4.660 0.000 0.000 0.296 56 W C 1.692 178.320 176.519 0.180 0.000 1.212 56 W CA 0.898 58.281 57.345 0.063 0.000 1.260 56 W CB -1.799 27.876 29.460 0.359 0.000 1.131 56 W HN 0.452 nan 8.180 nan 0.000 0.530 57 W N 3.580 124.555 121.300 -0.543 0.000 2.961 57 W HA -0.002 4.658 4.660 0.000 0.000 0.240 57 W C 1.608 178.056 176.519 -0.118 0.000 1.305 57 W CA 0.942 57.980 57.345 -0.512 0.000 1.465 57 W CB -1.382 27.439 29.460 -1.066 0.000 1.135 57 W HN 0.254 nan 8.180 nan 0.000 0.688 58 E N 1.651 121.727 120.200 -0.206 0.000 2.204 58 E HA -0.167 4.183 4.350 0.000 0.000 0.194 58 E C 1.885 178.388 176.600 -0.162 0.000 0.989 58 E CA 0.583 56.919 56.400 -0.108 0.000 0.824 58 E CB -0.586 29.000 29.700 -0.189 0.000 0.756 58 E HN 0.208 nan 8.360 nan 0.000 0.477 59 R N -0.088 120.151 120.500 -0.434 0.000 2.241 59 R HA -0.101 4.239 4.340 0.000 0.000 0.224 59 R C 0.539 176.518 176.300 -0.535 0.000 1.101 59 R CA 0.969 56.537 56.100 -0.887 0.000 0.995 59 R CB -0.198 29.647 30.300 -0.760 0.000 0.870 59 R HN 0.379 nan 8.270 nan 0.000 0.463 60 Y N 0.423 120.785 120.300 0.103 0.000 2.583 60 Y HA 0.177 4.727 4.550 0.000 0.000 0.294 60 Y C 0.288 176.355 175.900 0.278 0.000 1.170 60 Y CA 0.018 58.262 58.100 0.239 0.000 1.265 60 Y CB 0.416 39.040 38.460 0.273 0.000 1.119 60 Y HN -0.112 nan 8.280 nan 0.000 0.522 61 Q N 0.999 120.963 119.800 0.272 0.000 2.932 61 Q HA 0.276 4.616 4.340 0.000 0.000 0.248 61 Q C -2.771 173.369 176.000 0.233 0.000 0.982 61 Q CA -2.023 53.934 55.803 0.257 0.000 0.730 61 Q CB 1.424 30.298 28.738 0.226 0.000 1.249 61 Q HN 0.094 nan 8.270 nan 0.000 0.476 62 P HA -0.046 nan 4.420 nan 0.000 0.268 62 P C 0.173 177.478 177.300 0.009 0.000 1.208 62 P CA 0.099 63.238 63.100 0.064 0.000 0.777 62 P CB 1.116 32.805 31.700 -0.019 0.000 0.875 63 V N -0.150 119.734 119.914 -0.050 0.000 3.431 63 V HA 0.133 4.253 4.120 0.000 0.000 0.255 63 V C 0.664 176.705 176.094 -0.088 0.000 1.403 63 V CA 1.258 63.582 62.300 0.040 0.000 1.101 63 V CB 0.616 32.490 31.823 0.085 0.000 0.891 63 V HN 0.825 nan 8.190 nan 0.000 0.446 64 S N -1.832 113.672 115.700 -0.326 0.000 2.694 64 S HA 0.464 4.934 4.470 0.000 0.000 0.273 64 S C -1.109 173.010 174.600 -0.800 0.000 1.180 64 S CA -0.320 57.584 58.200 -0.494 0.000 0.864 64 S CB 0.920 63.996 63.200 -0.208 0.000 1.198 64 S HN -0.032 nan 8.310 nan 0.000 0.499 65 Y N 0.415 120.599 120.300 -0.194 0.000 2.696 65 Y HA 0.540 5.091 4.550 0.000 0.000 0.260 65 Y C 0.165 176.010 175.900 -0.092 0.000 1.165 65 Y CA -0.827 57.094 58.100 -0.299 0.000 1.189 65 Y CB 0.117 38.308 38.460 -0.450 0.000 1.180 65 Y HN 0.421 nan 8.280 nan 0.000 0.538 66 I N 2.089 122.655 120.570 -0.006 0.000 2.496 66 I HA 0.042 4.212 4.170 0.000 0.000 0.285 66 I C -0.024 176.129 176.117 0.060 0.000 1.080 66 I CA -0.292 61.028 61.300 0.034 0.000 1.404 66 I CB 0.770 38.766 38.000 -0.008 0.000 1.403 66 I HN -0.009 nan 8.210 nan 0.000 0.539 67 I N 6.110 126.743 120.570 0.105 0.000 2.293 67 I HA 0.143 4.313 4.170 0.000 0.000 0.299 67 I C -0.094 176.100 176.117 0.127 0.000 1.153 67 I CA 0.438 61.804 61.300 0.109 0.000 1.302 67 I CB -1.065 36.953 38.000 0.030 0.000 1.460 67 I HN 0.580 nan 8.210 nan 0.000 0.552 68 N N 4.435 123.191 118.700 0.094 0.000 2.976 68 N HA 0.222 4.962 4.740 0.000 0.000 0.249 68 N C -0.542 174.938 175.510 -0.049 0.000 1.258 68 N CA -0.184 52.896 53.050 0.049 0.000 0.864 68 N CB 1.252 39.745 38.487 0.010 0.000 1.551 68 N HN 0.620 nan 8.380 nan 0.000 0.607 69 T N -0.829 113.705 114.554 -0.033 0.000 2.626 69 T HA 0.494 4.844 4.350 0.000 0.000 0.279 69 T C 0.924 175.555 174.700 -0.116 0.000 0.983 69 T CA -0.622 61.391 62.100 -0.145 0.000 1.059 69 T CB 1.234 70.136 68.868 0.058 0.000 1.396 69 T HN 0.226 nan 8.240 nan 0.000 0.519 70 R N 0.164 120.630 120.500 -0.056 0.000 2.280 70 R HA 0.096 4.436 4.340 0.000 0.000 0.207 70 R C 1.985 178.151 176.300 -0.223 0.000 1.043 70 R CA 0.817 56.863 56.100 -0.089 0.000 1.006 70 R CB -0.335 29.958 30.300 -0.012 0.000 0.885 70 R HN 0.535 nan 8.270 nan 0.000 0.467 71 S N -0.400 115.057 115.700 -0.404 0.000 2.527 71 S HA 0.155 4.625 4.470 0.000 0.000 0.222 71 S C 0.712 174.699 174.600 -1.022 0.000 0.985 71 S CA 0.571 58.230 58.200 -0.902 0.000 0.921 71 S CB 0.843 62.996 63.200 -1.744 0.000 0.772 71 S HN 0.622 nan 8.310 nan 0.000 0.529 72 G N 1.679 110.161 108.800 -0.530 0.000 2.339 72 G HA2 0.180 4.140 3.960 0.000 0.000 0.381 72 G HA3 0.180 4.140 3.960 0.000 0.000 0.381 72 G C -1.599 173.386 174.900 0.142 0.000 1.400 72 G CA -0.459 44.537 45.100 -0.173 0.000 1.002 72 G HN 0.213 nan 8.290 nan 0.000 0.633 73 D N -0.730 119.802 120.400 0.220 0.000 2.469 73 D HA 0.328 4.969 4.640 0.000 0.000 0.278 73 D C 1.170 177.691 176.300 0.369 0.000 1.231 73 D CA 0.017 54.163 54.000 0.243 0.000 1.075 73 D CB 0.575 41.463 40.800 0.146 0.000 1.121 73 D HN 0.562 nan 8.370 nan 0.000 0.571 74 E N -0.748 119.611 120.200 0.265 0.000 2.152 74 E HA -0.114 4.236 4.350 0.000 0.000 0.192 74 E C 1.899 178.667 176.600 0.280 0.000 0.983 74 E CA 0.845 57.408 56.400 0.272 0.000 0.818 74 E CB 0.073 29.893 29.700 0.199 0.000 0.758 74 E HN 0.382 nan 8.360 nan 0.000 0.467 75 S N 0.334 116.166 115.700 0.220 0.000 2.368 75 S HA -0.141 4.329 4.470 0.000 0.000 0.224 75 S C 2.031 176.752 174.600 0.202 0.000 1.029 75 S CA 0.925 59.233 58.200 0.180 0.000 0.988 75 S CB -0.189 63.091 63.200 0.134 0.000 0.838 75 S HN 0.458 nan 8.310 nan 0.000 0.462 76 A N 0.918 123.897 122.820 0.264 0.000 1.902 76 A HA -0.052 4.269 4.320 0.000 0.000 0.217 76 A C 1.890 179.670 177.584 0.326 0.000 1.181 76 A CA 1.294 53.514 52.037 0.306 0.000 0.623 76 A CB -0.851 18.371 19.000 0.370 0.000 0.818 76 A HN 0.481 nan 8.150 nan 0.000 0.443 77 F N 1.906 121.988 119.950 0.220 0.000 2.069 77 F HA -0.223 4.304 4.527 0.000 0.000 0.298 77 F C 2.817 178.537 175.800 -0.132 0.000 1.113 77 F CA 2.607 60.506 58.000 -0.168 0.000 1.214 77 F CB -0.561 38.323 39.000 -0.194 0.000 0.978 77 F HN 0.352 nan 8.300 nan 0.000 0.474 78 T N -2.679 111.948 114.554 0.121 0.000 2.867 78 T HA -0.224 4.127 4.350 0.000 0.000 0.268 78 T C 1.654 176.354 174.700 0.000 0.000 1.057 78 T CA 1.558 63.693 62.100 0.058 0.000 1.136 78 T CB -0.855 68.107 68.868 0.157 0.000 0.874 78 T HN 0.453 nan 8.240 nan 0.000 0.466 79 D N 0.699 121.115 120.400 0.026 0.000 2.117 79 D HA -0.111 4.529 4.640 0.000 0.000 0.197 79 D C 2.182 178.463 176.300 -0.031 0.000 0.987 79 D CA 1.230 55.246 54.000 0.026 0.000 0.829 79 D CB -0.326 40.512 40.800 0.063 0.000 0.961 79 D HN 0.453 nan 8.370 nan 0.000 0.460 80 M N 0.021 119.554 119.600 -0.111 0.000 2.086 80 M HA -0.164 4.316 4.480 0.000 0.000 0.261 80 M C 2.015 178.163 176.300 -0.254 0.000 1.067 80 M CA 2.220 57.410 55.300 -0.184 0.000 1.116 80 M CB -0.452 31.968 32.600 -0.300 0.000 1.348 80 M HN 0.190 nan 8.290 nan 0.000 0.407 81 T N -1.288 113.031 114.554 -0.392 0.000 2.821 81 T HA -0.156 4.194 4.350 0.000 0.000 0.267 81 T C 1.782 176.458 174.700 -0.039 0.000 1.046 81 T CA 1.405 63.303 62.100 -0.337 0.000 1.139 81 T CB -0.534 68.027 68.868 -0.511 0.000 0.871 81 T HN 0.372 nan 8.240 nan 0.000 0.454 82 R N 1.843 122.392 120.500 0.082 0.000 2.070 82 R HA 0.091 4.431 4.340 0.000 0.000 0.232 82 R C 2.563 178.886 176.300 0.038 0.000 1.138 82 R CA 1.589 57.783 56.100 0.157 0.000 0.936 82 R CB -0.738 29.619 30.300 0.096 0.000 0.839 82 R HN 0.452 nan 8.270 nan 0.000 0.429 83 R N -0.819 119.681 120.500 -0.001 0.000 2.092 83 R HA -0.060 4.280 4.340 0.000 0.000 0.231 83 R C 2.542 178.826 176.300 -0.027 0.000 1.119 83 R CA 1.531 57.623 56.100 -0.013 0.000 0.970 83 R CB -0.593 29.704 30.300 -0.005 0.000 0.864 83 R HN 0.285 nan 8.270 nan 0.000 0.440 84 c N 0.596 119.166 118.600 -0.050 0.000 2.466 84 c HA 0.008 4.578 4.570 0.000 0.000 0.278 84 c C 2.307 176.358 174.090 -0.065 0.000 1.288 84 c CA 0.366 56.658 56.329 -0.063 0.000 1.722 84 c CB -0.889 41.558 42.510 -0.104 0.000 2.017 84 c HN 0.509 nan 8.230 nan 0.000 0.488 85 N N 1.293 119.956 118.700 -0.061 0.000 2.142 85 N HA -0.110 4.630 4.740 0.000 0.000 0.186 85 N C 1.102 176.564 175.510 -0.081 0.000 1.023 85 N CA 1.377 54.378 53.050 -0.081 0.000 0.852 85 N CB -0.544 37.933 38.487 -0.017 0.000 0.998 85 N HN 0.507 nan 8.380 nan 0.000 0.424 86 D N 0.651 121.020 120.400 -0.052 0.000 2.263 86 D HA -0.063 4.577 4.640 0.000 0.000 0.208 86 D C 1.030 177.299 176.300 -0.052 0.000 0.971 86 D CA 0.513 54.478 54.000 -0.059 0.000 0.867 86 D CB -0.095 40.675 40.800 -0.049 0.000 0.929 86 D HN 0.238 nan 8.370 nan 0.000 0.492 87 A N -0.515 122.277 122.820 -0.046 0.000 2.415 87 A HA 0.501 4.821 4.320 0.000 0.000 0.248 87 A C 1.662 179.222 177.584 -0.040 0.000 1.299 87 A CA 0.537 52.552 52.037 -0.036 0.000 0.899 87 A CB -0.287 18.699 19.000 -0.023 0.000 0.997 87 A HN 0.157 nan 8.150 nan 0.000 0.506 88 G N -1.121 107.644 108.800 -0.058 0.000 2.168 88 G HA2 -0.215 3.745 3.960 0.000 0.000 0.257 88 G HA3 -0.215 3.745 3.960 0.000 0.000 0.257 88 G C 0.147 175.027 174.900 -0.034 0.000 0.997 88 G CA 0.482 45.547 45.100 -0.058 0.000 0.708 88 G HN 0.849 nan 8.290 nan 0.000 0.520 89 V N 1.881 121.774 119.914 -0.035 0.000 2.394 89 V HA 0.587 4.707 4.120 0.000 0.000 0.282 89 V C 0.563 176.635 176.094 -0.037 0.000 1.031 89 V CA -1.156 61.140 62.300 -0.006 0.000 0.881 89 V CB 1.498 33.316 31.823 -0.007 0.000 0.982 89 V HN 0.312 nan 8.190 nan 0.000 0.451 90 R N 4.096 124.603 120.500 0.011 0.000 2.500 90 R HA 0.547 4.887 4.340 0.000 0.000 0.275 90 R C -0.667 175.437 176.300 -0.327 0.000 1.051 90 R CA -0.801 55.217 56.100 -0.136 0.000 1.088 90 R CB 1.115 31.365 30.300 -0.083 0.000 1.063 90 R HN 0.414 nan 8.270 nan 0.000 0.511 91 I N 3.229 123.512 120.570 -0.478 0.000 2.362 91 I HA 0.245 4.415 4.170 0.000 0.000 0.289 91 I C -0.622 175.115 176.117 -0.633 0.000 0.994 91 I CA -0.948 60.076 61.300 -0.460 0.000 1.158 91 I CB 0.794 38.560 38.000 -0.390 0.000 1.315 91 I HN 0.405 nan 8.210 nan 0.000 0.451 92 Y N 5.212 125.507 120.300 -0.008 0.000 2.334 92 Y HA 0.395 4.945 4.550 0.000 0.000 0.336 92 Y C 0.392 176.280 175.900 -0.019 0.000 0.960 92 Y CA -0.915 57.182 58.100 -0.005 0.000 1.164 92 Y CB 1.432 40.015 38.460 0.205 0.000 1.155 92 Y HN 0.197 nan 8.280 nan 0.000 0.478 93 V N 3.316 123.209 119.914 -0.036 0.000 2.555 93 V HA -0.001 4.119 4.120 0.000 0.000 0.286 93 V C 0.139 176.350 176.094 0.195 0.000 1.044 93 V CA -0.356 61.994 62.300 0.084 0.000 1.026 93 V CB 0.944 32.802 31.823 0.059 0.000 0.981 93 V HN 0.645 nan 8.190 nan 0.000 0.480 94 D N 4.228 124.763 120.400 0.225 0.000 2.365 94 D HA 0.386 5.026 4.640 0.000 0.000 0.237 94 D C 0.041 176.508 176.300 0.277 0.000 1.190 94 D CA -0.134 53.990 54.000 0.207 0.000 0.867 94 D CB 1.230 42.162 40.800 0.221 0.000 1.050 94 D HN 0.696 nan 8.370 nan 0.000 0.491 95 A N 4.173 127.157 122.820 0.273 0.000 2.260 95 A HA 0.439 4.759 4.320 0.000 0.000 0.312 95 A C -0.305 177.419 177.584 0.233 0.000 1.321 95 A CA -0.682 51.536 52.037 0.302 0.000 0.928 95 A CB 0.622 19.756 19.000 0.223 0.000 1.158 95 A HN 0.381 nan 8.150 nan 0.000 0.542 96 V N 5.360 125.418 119.914 0.239 0.000 2.288 96 V HA 0.223 4.343 4.120 0.000 0.000 0.266 96 V C 0.747 176.897 176.094 0.094 0.000 1.048 96 V CA 0.128 62.516 62.300 0.145 0.000 0.842 96 V CB -0.123 31.796 31.823 0.159 0.000 1.064 96 V HN 0.866 nan 8.190 nan 0.000 0.472 97 I N 0.619 121.203 120.570 0.025 0.000 4.240 97 I HA 0.374 4.544 4.170 0.000 0.000 0.331 97 I C 1.414 177.485 176.117 -0.077 0.000 1.381 97 I CA 0.119 61.429 61.300 0.017 0.000 1.136 97 I CB 0.207 38.226 38.000 0.031 0.000 1.137 97 I HN 0.486 nan 8.210 nan 0.000 0.411 98 N N 1.743 120.329 118.700 -0.189 0.000 2.416 98 N HA -0.047 4.693 4.740 0.000 0.000 0.177 98 N C 0.294 175.751 175.510 -0.089 0.000 1.036 98 N CA 1.177 54.142 53.050 -0.140 0.000 0.901 98 N CB 0.082 38.527 38.487 -0.069 0.000 0.976 98 N HN 0.762 nan 8.380 nan 0.000 0.444 99 H N -4.429 114.680 119.070 0.065 0.000 2.918 99 H HA 0.461 5.017 4.556 0.000 0.000 0.303 99 H C -0.286 175.064 175.328 0.037 0.000 1.380 99 H CA -0.956 55.126 56.048 0.057 0.000 1.134 99 H CB 0.422 30.227 29.762 0.072 0.000 1.842 99 H HN -0.279 nan 8.280 nan 0.000 0.533 100 M N 0.064 119.811 119.600 0.244 0.000 2.318 100 M HA 0.345 4.825 4.480 0.000 0.000 0.214 100 M C 0.471 176.858 176.300 0.146 0.000 0.982 100 M CA 0.275 55.592 55.300 0.027 0.000 1.875 100 M CB -0.242 32.061 32.600 -0.496 0.000 1.123 100 M HN 0.893 nan 8.290 nan 0.000 0.908 101 T N -1.360 113.303 114.554 0.182 0.000 2.936 101 T HA 0.649 4.999 4.350 0.000 0.000 0.282 101 T C 0.773 175.612 174.700 0.232 0.000 1.003 101 T CA -0.278 61.965 62.100 0.238 0.000 1.005 101 T CB 1.441 70.495 68.868 0.310 0.000 1.097 101 T HN 0.635 nan 8.240 nan 0.000 0.532 102 G N 0.628 109.515 108.800 0.145 0.000 3.277 102 G HA2 0.449 4.410 3.960 0.000 0.000 0.243 102 G HA3 0.449 4.410 3.960 0.000 0.000 0.243 102 G C 0.380 175.185 174.900 -0.158 0.000 1.107 102 G CA -0.220 44.926 45.100 0.078 0.000 0.771 102 G HN 0.922 nan 8.290 nan 0.000 0.544 103 M N -1.848 117.699 119.600 -0.088 0.000 3.084 103 M HA 0.360 4.840 4.480 0.000 0.000 0.273 103 M C -2.243 174.051 176.300 -0.009 0.000 1.242 103 M CA -0.755 54.421 55.300 -0.208 0.000 0.819 103 M CB 0.341 32.869 32.600 -0.121 0.000 1.625 103 M HN -0.182 nan 8.290 nan 0.000 0.493 104 N N -0.579 118.103 118.700 -0.030 0.000 2.493 104 N HA 0.801 5.541 4.740 0.000 0.000 0.275 104 N C 0.016 175.530 175.510 0.006 0.000 1.186 104 N CA 0.423 53.473 53.050 0.001 0.000 0.978 104 N CB 1.726 40.203 38.487 -0.016 0.000 1.184 104 N HN 0.892 nan 8.380 nan 0.000 0.487 105 G N -0.498 108.307 108.800 0.008 0.000 2.360 105 G HA2 0.245 4.205 3.960 0.000 0.000 0.276 105 G HA3 0.245 4.205 3.960 0.000 0.000 0.276 105 G C -1.957 172.948 174.900 0.009 0.000 1.256 105 G CA -0.410 44.697 45.100 0.011 0.000 0.890 105 G HN 0.485 nan 8.290 nan 0.000 0.486 106 V N -0.441 119.479 119.914 0.010 0.000 3.074 106 V HA 0.935 5.055 4.120 0.000 0.000 0.314 106 V C 0.670 176.763 176.094 -0.001 0.000 1.117 106 V CA 0.475 62.775 62.300 -0.001 0.000 1.014 106 V CB 1.893 33.707 31.823 -0.015 0.000 1.057 106 V HN 1.827 nan 8.190 nan 0.000 0.438 107 G N 0.579 109.365 108.800 -0.022 0.000 2.552 107 G HA2 0.426 4.386 3.960 0.000 0.000 0.318 107 G HA3 0.426 4.386 3.960 0.000 0.000 0.318 107 G C 0.919 175.744 174.900 -0.124 0.000 1.240 107 G CA 0.365 45.427 45.100 -0.064 0.000 1.002 107 G HN 1.176 nan 8.290 nan 0.000 0.493 108 T N -2.767 111.638 114.554 -0.248 0.000 2.946 108 T HA -0.101 4.249 4.350 0.000 0.000 0.271 108 T C 1.782 176.380 174.700 -0.171 0.000 1.104 108 T CA 1.759 63.696 62.100 -0.272 0.000 1.114 108 T CB 0.055 68.607 68.868 -0.526 0.000 0.867 108 T HN 0.341 nan 8.240 nan 0.000 0.513 109 S N -0.621 114.998 115.700 -0.136 0.000 2.593 109 S HA 0.504 4.974 4.470 0.000 0.000 0.236 109 S C 1.561 176.128 174.600 -0.056 0.000 0.991 109 S CA 0.306 58.457 58.200 -0.082 0.000 0.963 109 S CB -0.547 62.611 63.200 -0.069 0.000 0.865 109 S HN 0.962 nan 8.310 nan 0.000 0.488 110 G N 0.901 109.666 108.800 -0.057 0.000 2.195 110 G HA2 -0.241 3.719 3.960 0.000 0.000 0.246 110 G HA3 -0.241 3.719 3.960 0.000 0.000 0.246 110 G C 0.230 175.113 174.900 -0.029 0.000 0.984 110 G CA 0.266 45.343 45.100 -0.038 0.000 0.633 110 G HN 0.585 nan 8.290 nan 0.000 0.525 111 S N 0.663 116.345 115.700 -0.030 0.000 2.576 111 S HA 0.531 5.001 4.470 0.000 0.000 0.272 111 S C 0.741 175.338 174.600 -0.005 0.000 1.352 111 S CA 0.374 58.565 58.200 -0.015 0.000 1.021 111 S CB 1.276 64.468 63.200 -0.013 0.000 0.887 111 S HN 0.676 nan 8.310 nan 0.000 0.542 112 S N 1.262 116.959 115.700 -0.005 0.000 2.554 112 S HA 0.628 5.098 4.470 0.000 0.000 0.278 112 S C -0.172 174.412 174.600 -0.027 0.000 1.242 112 S CA -0.797 57.391 58.200 -0.021 0.000 1.051 112 S CB 1.256 64.431 63.200 -0.041 0.000 0.986 112 S HN 0.855 nan 8.310 nan 0.000 0.502 113 A N 1.997 124.785 122.820 -0.054 0.000 2.363 113 A HA 0.505 4.825 4.320 0.000 0.000 0.296 113 A C -0.907 176.526 177.584 -0.252 0.000 1.237 113 A CA -0.703 51.255 52.037 -0.132 0.000 0.773 113 A CB 0.491 19.586 19.000 0.159 0.000 1.153 113 A HN 0.668 nan 8.150 nan 0.000 0.473 114 D N 1.874 121.967 120.400 -0.513 0.000 2.499 114 D HA 0.084 4.724 4.640 0.000 0.000 0.225 114 D C 1.190 177.297 176.300 -0.321 0.000 1.124 114 D CA -0.087 53.723 54.000 -0.317 0.000 0.938 114 D CB 0.105 40.751 40.800 -0.256 0.000 1.014 114 D HN 0.651 nan 8.370 nan 0.000 0.517 115 H N 3.554 122.493 119.070 -0.219 0.000 2.319 115 H HA -0.141 4.415 4.556 0.000 0.000 0.299 115 H C 0.385 175.632 175.328 -0.135 0.000 1.092 115 H CA 1.720 57.700 56.048 -0.112 0.000 1.302 115 H CB 0.412 30.162 29.762 -0.022 0.000 1.373 115 H HN 0.377 nan 8.280 nan 0.000 0.497 116 D N 0.358 120.855 120.400 0.161 0.000 2.103 116 D HA -0.131 4.509 4.640 0.000 0.000 0.190 116 D C 2.096 178.326 176.300 -0.117 0.000 0.997 116 D CA 1.836 55.869 54.000 0.056 0.000 0.833 116 D CB -0.914 39.928 40.800 0.070 0.000 0.961 116 D HN 0.585 nan 8.370 nan 0.000 0.447 117 G N -0.766 107.963 108.800 -0.119 0.000 3.233 117 G HA2 0.167 4.127 3.960 0.000 0.000 0.227 117 G HA3 0.167 4.127 3.960 0.000 0.000 0.227 117 G C 0.510 175.317 174.900 -0.155 0.000 1.175 117 G CA -0.245 44.784 45.100 -0.118 0.000 0.781 117 G HN 0.158 nan 8.290 nan 0.000 0.542 118 M N 0.522 119.962 119.600 -0.268 0.000 2.212 118 M HA -0.164 4.317 4.480 0.000 0.000 0.193 118 M C -0.875 175.379 176.300 -0.076 0.000 0.493 118 M CA 0.460 55.562 55.300 -0.330 0.000 0.427 118 M CB -1.482 30.846 32.600 -0.452 0.000 1.120 118 M HN 0.211 nan 8.290 nan 0.000 0.929 119 N N 0.606 119.154 118.700 -0.252 0.000 2.354 119 N HA 0.479 5.219 4.740 0.000 0.000 0.287 119 N C -1.494 173.795 175.510 -0.368 0.000 1.016 119 N CA -0.361 52.629 53.050 -0.101 0.000 0.871 119 N CB 1.239 39.679 38.487 -0.079 0.000 1.299 119 N HN 0.199 nan 8.380 nan 0.000 0.482 120 Y N 1.393 121.813 120.300 0.201 0.000 2.662 120 Y HA 0.298 4.848 4.550 0.000 0.000 0.358 120 Y C -1.673 174.281 175.900 0.090 0.000 1.041 120 Y CA -1.605 56.590 58.100 0.159 0.000 1.184 120 Y CB 1.374 40.001 38.460 0.278 0.000 1.114 120 Y HN 0.456 nan 8.280 nan 0.000 0.650 121 P HA -0.286 nan 4.420 nan 0.000 0.217 121 P C 1.350 178.675 177.300 0.041 0.000 1.148 121 P CA 2.127 65.263 63.100 0.059 0.000 0.834 121 P CB 0.409 32.120 31.700 0.019 0.000 0.783 122 A N -1.535 121.305 122.820 0.034 0.000 2.206 122 A HA 0.005 4.325 4.320 0.000 0.000 0.211 122 A C 2.068 179.627 177.584 -0.042 0.000 1.158 122 A CA 0.860 52.894 52.037 -0.006 0.000 0.761 122 A CB -1.060 17.929 19.000 -0.018 0.000 0.801 122 A HN 0.051 nan 8.150 nan 0.000 0.473 123 V N 0.274 120.146 119.914 -0.070 0.000 2.341 123 V HA 0.032 4.152 4.120 0.000 0.000 0.240 123 V C -1.422 174.602 176.094 -0.116 0.000 1.035 123 V CA 0.955 63.143 62.300 -0.187 0.000 1.033 123 V CB -1.200 30.283 31.823 -0.567 0.000 0.678 123 V HN 0.429 nan 8.190 nan 0.000 0.464 124 P HA 0.492 nan 4.420 nan 0.000 0.290 124 P C -1.673 175.697 177.300 0.116 0.000 1.283 124 P CA -0.357 62.767 63.100 0.041 0.000 0.869 124 P CB 0.875 32.630 31.700 0.092 0.000 1.100 125 Y N -0.408 120.062 120.300 0.285 0.000 2.499 125 Y HA 0.690 5.240 4.550 0.000 0.000 0.347 125 Y C 0.802 176.905 175.900 0.338 0.000 0.987 125 Y CA -0.631 57.657 58.100 0.313 0.000 1.044 125 Y CB 2.249 40.916 38.460 0.345 0.000 1.245 125 Y HN 0.581 nan 8.280 nan 0.000 0.461 126 G N -0.249 108.830 108.800 0.465 0.000 3.140 126 G HA2 0.413 4.373 3.960 0.000 0.000 0.271 126 G HA3 0.413 4.373 3.960 0.000 0.000 0.271 126 G C 0.213 175.368 174.900 0.425 0.000 1.370 126 G CA -0.346 44.950 45.100 0.328 0.000 1.014 126 G HN 0.558 nan 8.290 nan 0.000 0.541 127 S N -1.097 114.759 115.700 0.259 0.000 2.419 127 S HA -0.035 4.435 4.470 0.000 0.000 0.233 127 S C 2.197 176.950 174.600 0.254 0.000 1.016 127 S CA 1.388 59.743 58.200 0.258 0.000 0.974 127 S CB -0.333 62.923 63.200 0.094 0.000 0.786 127 S HN 1.015 nan 8.310 nan 0.000 0.492 128 G N 1.168 110.054 108.800 0.143 0.000 2.776 128 G HA2 0.010 3.970 3.960 0.000 0.000 0.209 128 G HA3 0.010 3.970 3.960 0.000 0.000 0.209 128 G C 0.472 175.388 174.900 0.027 0.000 1.145 128 G CA 0.387 45.531 45.100 0.072 0.000 0.791 128 G HN 0.476 nan 8.290 nan 0.000 0.530 129 D N -0.508 119.885 120.400 -0.012 0.000 2.369 129 D HA 0.205 4.845 4.640 0.000 0.000 0.211 129 D C -0.107 175.798 176.300 -0.659 0.000 1.077 129 D CA -0.067 53.761 54.000 -0.287 0.000 0.842 129 D CB 0.339 40.950 40.800 -0.314 0.000 0.947 129 D HN 0.251 nan 8.370 nan 0.000 0.509 130 F N -0.332 119.537 119.950 -0.135 0.000 2.575 130 F HA 0.370 4.897 4.527 0.000 0.000 0.330 130 F C 0.924 176.662 175.800 -0.103 0.000 1.056 130 F CA -1.027 56.866 58.000 -0.179 0.000 0.964 130 F CB 1.041 39.981 39.000 -0.100 0.000 1.258 130 F HN -0.244 nan 8.300 nan 0.000 0.484 131 H N -0.830 118.334 119.070 0.156 0.000 2.547 131 H HA 0.214 4.770 4.556 0.000 0.000 0.362 131 H C -0.170 175.209 175.328 0.085 0.000 1.181 131 H CA -0.495 55.603 56.048 0.084 0.000 1.376 131 H CB 1.142 30.939 29.762 0.058 0.000 1.488 131 H HN 0.455 nan 8.280 nan 0.000 0.583 132 S N 2.254 118.067 115.700 0.188 0.000 2.533 132 S HA 0.061 4.531 4.470 0.000 0.000 0.282 132 S C -2.200 172.444 174.600 0.074 0.000 1.304 132 S CA -1.268 56.989 58.200 0.096 0.000 1.063 132 S CB 0.099 63.333 63.200 0.057 0.000 0.881 132 S HN 0.388 nan 8.310 nan 0.000 0.493 133 P HA 0.146 nan 4.420 nan 0.000 0.264 133 P C -0.655 176.655 177.300 0.016 0.000 1.183 133 P CA -0.126 62.986 63.100 0.020 0.000 0.763 133 P CB -0.019 31.673 31.700 -0.012 0.000 0.807 134 c N 0.385 118.994 118.600 0.016 0.000 3.259 134 c HA 0.551 5.122 4.570 0.000 0.000 0.344 134 c C -1.312 172.780 174.090 0.002 0.000 1.401 134 c CA -0.956 55.375 56.329 0.004 0.000 1.219 134 c CB 1.288 43.795 42.510 -0.005 0.000 1.521 134 c HN 0.527 nan 8.230 nan 0.000 0.455 135 E N 0.357 120.552 120.200 -0.008 0.000 2.199 135 E HA 0.561 4.911 4.350 0.000 0.000 0.269 135 E C -1.042 175.541 176.600 -0.029 0.000 0.899 135 E CA -0.712 55.680 56.400 -0.013 0.000 0.772 135 E CB 2.297 31.990 29.700 -0.012 0.000 1.155 135 E HN 0.505 nan 8.360 nan 0.000 0.408 136 V N 3.809 123.703 119.914 -0.034 0.000 2.479 136 V HA 0.002 4.122 4.120 0.000 0.000 0.281 136 V C 0.392 176.433 176.094 -0.088 0.000 1.031 136 V CA 0.351 62.606 62.300 -0.075 0.000 1.038 136 V CB -0.103 31.694 31.823 -0.044 0.000 0.981 136 V HN 0.787 nan 8.190 nan 0.000 0.478 137 N N 2.155 120.776 118.700 -0.132 0.000 1.938 137 N HA 0.072 4.812 4.740 0.000 0.000 0.225 137 N C -0.388 175.072 175.510 -0.083 0.000 1.400 137 N CA -0.345 52.662 53.050 -0.071 0.000 0.772 137 N CB 0.133 38.605 38.487 -0.025 0.000 1.124 137 N HN 0.479 nan 8.380 nan 0.000 0.513 138 N N 0.434 119.014 118.700 -0.199 0.000 2.549 138 N HA 0.216 4.956 4.740 0.000 0.000 0.281 138 N C -1.142 174.234 175.510 -0.223 0.000 1.084 138 N CA -0.410 52.568 53.050 -0.121 0.000 0.862 138 N CB 0.515 38.960 38.487 -0.070 0.000 1.333 138 N HN 0.069 nan 8.380 nan 0.000 0.523 139 Y N 0.801 121.108 120.300 0.012 0.000 2.502 139 Y HA 0.157 4.707 4.550 0.000 0.000 0.295 139 Y C 1.243 177.144 175.900 0.002 0.000 1.193 139 Y CA 0.325 58.428 58.100 0.006 0.000 1.295 139 Y CB 0.517 38.980 38.460 0.004 0.000 1.059 139 Y HN 0.451 nan 8.280 nan 0.000 0.514 140 Q N -0.148 119.696 119.800 0.074 0.000 2.198 140 Q HA 0.086 4.426 4.340 0.000 0.000 0.209 140 Q C -0.501 175.506 176.000 0.011 0.000 0.848 140 Q CA 0.278 56.110 55.803 0.048 0.000 0.974 140 Q CB 0.538 29.300 28.738 0.040 0.000 1.115 140 Q HN 0.277 nan 8.270 nan 0.000 0.494 141 D N -0.352 120.037 120.400 -0.018 0.000 2.346 141 D HA 0.349 4.989 4.640 0.000 0.000 0.255 141 D C 0.526 176.795 176.300 -0.052 0.000 1.276 141 D CA -0.294 53.684 54.000 -0.036 0.000 0.941 141 D CB 1.025 41.796 40.800 -0.049 0.000 1.199 141 D HN -0.024 nan 8.370 nan 0.000 0.537 142 A N 3.148 125.951 122.820 -0.027 0.000 2.024 142 A HA -0.187 4.133 4.320 0.000 0.000 0.220 142 A C 1.644 179.207 177.584 -0.036 0.000 1.164 142 A CA 1.477 53.500 52.037 -0.023 0.000 0.643 142 A CB -0.071 18.927 19.000 -0.003 0.000 0.806 142 A HN 0.496 nan 8.150 nan 0.000 0.451 143 D N -1.197 119.176 120.400 -0.046 0.000 2.234 143 D HA -0.066 4.574 4.640 0.000 0.000 0.205 143 D C 1.853 178.111 176.300 -0.070 0.000 0.962 143 D CA 1.087 55.051 54.000 -0.059 0.000 0.855 143 D CB -0.151 40.612 40.800 -0.061 0.000 0.951 143 D HN 0.595 nan 8.370 nan 0.000 0.500 144 N N -0.475 118.180 118.700 -0.074 0.000 2.135 144 N HA -0.125 4.615 4.740 0.000 0.000 0.186 144 N C 1.570 177.034 175.510 -0.076 0.000 1.027 144 N CA 1.108 54.108 53.050 -0.083 0.000 0.849 144 N CB -0.032 38.392 38.487 -0.106 0.000 1.002 144 N HN -0.083 nan 8.380 nan 0.000 0.425 145 V N 0.897 120.745 119.914 -0.110 0.000 2.287 145 V HA -0.216 3.904 4.120 0.000 0.000 0.248 145 V C 2.335 178.496 176.094 0.112 0.000 1.053 145 V CA 1.903 64.162 62.300 -0.068 0.000 1.027 145 V CB -0.529 31.188 31.823 -0.176 0.000 0.646 145 V HN 0.357 nan 8.190 nan 0.000 0.447 146 R N 0.106 120.633 120.500 0.045 0.000 2.093 146 R HA 0.009 4.350 4.340 0.000 0.000 0.224 146 R C 1.883 178.238 176.300 0.092 0.000 1.101 146 R CA 1.204 57.362 56.100 0.096 0.000 0.979 146 R CB -0.263 30.070 30.300 0.055 0.000 0.877 146 R HN 0.502 nan 8.270 nan 0.000 0.441 147 N N -0.382 118.298 118.700 -0.033 0.000 2.373 147 N HA 0.041 4.781 4.740 0.000 0.000 0.181 147 N C 0.173 175.662 175.510 -0.036 0.000 1.082 147 N CA 0.268 53.204 53.050 -0.189 0.000 0.885 147 N CB 0.345 38.602 38.487 -0.383 0.000 0.977 147 N HN 0.077 nan 8.380 nan 0.000 0.462 148 c N 1.125 119.741 118.600 0.027 0.000 2.328 148 c HA 0.329 4.899 4.570 0.000 0.000 0.378 148 c C 0.720 174.856 174.090 0.077 0.000 1.249 148 c CA -0.971 55.383 56.329 0.041 0.000 2.204 148 c CB 1.205 43.715 42.510 -0.000 0.000 2.218 148 c HN 0.298 nan 8.230 nan 0.000 0.564 149 E N 0.880 121.110 120.200 0.050 0.000 2.289 149 E HA 0.284 4.634 4.350 0.000 0.000 0.278 149 E C -0.864 175.726 176.600 -0.016 0.000 1.032 149 E CA -0.323 56.099 56.400 0.037 0.000 0.854 149 E CB 0.733 30.450 29.700 0.028 0.000 1.046 149 E HN 0.344 nan 8.360 nan 0.000 0.409 150 L N 5.066 126.251 121.223 -0.063 0.000 2.278 150 L HA 0.032 4.372 4.340 0.000 0.000 0.287 150 L C 0.275 177.057 176.870 -0.147 0.000 1.072 150 L CA -0.170 54.572 54.840 -0.164 0.000 0.819 150 L CB 0.787 42.653 42.059 -0.321 0.000 1.176 150 L HN 0.525 nan 8.230 nan 0.000 0.435 151 V N 3.133 122.981 119.914 -0.111 0.000 5.043 151 V HA -0.214 3.906 4.120 0.000 0.000 0.267 151 V C 1.098 177.133 176.094 -0.098 0.000 0.597 151 V CA 1.097 63.331 62.300 -0.110 0.000 0.703 151 V CB -2.733 28.998 31.823 -0.154 0.000 0.558 151 V HN 2.146 nan 8.190 nan 0.000 1.038 152 G N -0.730 108.037 108.800 -0.055 0.000 2.162 152 G HA2 -0.260 3.700 3.960 0.000 0.000 0.260 152 G HA3 -0.260 3.700 3.960 0.000 0.000 0.260 152 G C 0.026 174.940 174.900 0.024 0.000 0.976 152 G CA 0.291 45.388 45.100 -0.006 0.000 0.655 152 G HN 1.416 nan 8.290 nan 0.000 0.533 153 L N 1.002 122.197 121.223 -0.046 0.000 2.331 153 L HA 0.445 4.785 4.340 0.000 0.000 0.278 153 L C 0.993 177.887 176.870 0.041 0.000 1.106 153 L CA -1.226 53.589 54.840 -0.042 0.000 0.824 153 L CB 0.603 42.476 42.059 -0.310 0.000 1.142 153 L HN -0.019 nan 8.230 nan 0.000 0.443 154 R N 1.857 122.399 120.500 0.071 0.000 2.488 154 R HA -0.041 4.299 4.340 0.000 0.000 0.317 154 R C -0.616 175.820 176.300 0.226 0.000 0.941 154 R CA 0.054 56.171 56.100 0.028 0.000 1.076 154 R CB -0.529 29.641 30.300 -0.217 0.000 0.917 154 R HN 0.474 nan 8.270 nan 0.000 0.407 155 D N 2.932 123.474 120.400 0.237 0.000 2.339 155 D HA 0.144 4.784 4.640 0.000 0.000 0.241 155 D C 0.183 176.565 176.300 0.136 0.000 1.183 155 D CA -0.248 53.891 54.000 0.231 0.000 0.859 155 D CB 0.542 41.489 40.800 0.244 0.000 1.067 155 D HN 0.273 nan 8.370 nan 0.000 0.484 156 L N 3.147 124.336 121.223 -0.057 0.000 2.482 156 L HA 0.103 4.443 4.340 0.000 0.000 0.273 156 L C 0.655 177.150 176.870 -0.624 0.000 1.228 156 L CA -0.111 54.452 54.840 -0.462 0.000 0.827 156 L CB 0.326 42.112 42.059 -0.456 0.000 1.099 156 L HN 0.456 nan 8.230 nan 0.000 0.494 157 N N 0.669 118.948 118.700 -0.701 0.000 2.707 157 N HA 0.161 4.902 4.740 0.000 0.000 0.235 157 N C -0.042 175.280 175.510 -0.313 0.000 1.028 157 N CA -0.386 52.246 53.050 -0.696 0.000 0.906 157 N CB 0.962 39.144 38.487 -0.507 0.000 1.131 157 N HN 0.389 nan 8.380 nan 0.000 0.509 158 Q N 1.150 120.824 119.800 -0.209 0.000 2.515 158 Q HA 0.209 4.549 4.340 0.000 0.000 0.212 158 Q C 1.535 177.478 176.000 -0.095 0.000 0.970 158 Q CA 0.568 56.284 55.803 -0.145 0.000 0.941 158 Q CB 0.276 28.930 28.738 -0.140 0.000 0.998 158 Q HN 0.673 nan 8.270 nan 0.000 0.518 159 G N -0.533 108.241 108.800 -0.044 0.000 2.985 159 G HA2 -0.005 3.955 3.960 0.000 0.000 0.209 159 G HA3 -0.005 3.955 3.960 0.000 0.000 0.209 159 G C 0.195 175.081 174.900 -0.023 0.000 1.165 159 G CA -0.129 44.960 45.100 -0.018 0.000 0.776 159 G HN 0.258 nan 8.290 nan 0.000 0.541 160 S N -0.138 115.539 115.700 -0.038 0.000 2.480 160 S HA 0.216 4.686 4.470 0.000 0.000 0.286 160 S C 0.969 175.567 174.600 -0.003 0.000 1.180 160 S CA -0.399 57.796 58.200 -0.009 0.000 1.075 160 S CB 1.506 64.707 63.200 0.002 0.000 0.996 160 S HN 0.188 nan 8.310 nan 0.000 0.487 161 D N 3.042 123.454 120.400 0.021 0.000 2.149 161 D HA -0.185 4.455 4.640 0.000 0.000 0.198 161 D C 1.388 177.710 176.300 0.037 0.000 0.990 161 D CA 1.764 55.774 54.000 0.017 0.000 0.839 161 D CB -0.154 40.664 40.800 0.031 0.000 0.948 161 D HN 0.769 nan 8.370 nan 0.000 0.460 162 Y N 0.387 120.672 120.300 -0.025 0.000 2.109 162 Y HA -0.167 4.383 4.550 0.000 0.000 0.285 162 Y C 2.189 178.092 175.900 0.005 0.000 1.131 162 Y CA 1.437 59.533 58.100 -0.007 0.000 1.121 162 Y CB -0.631 37.834 38.460 0.009 0.000 0.987 162 Y HN -0.104 nan 8.280 nan 0.000 0.495 163 V N 1.083 120.970 119.914 -0.046 0.000 2.332 163 V HA -0.346 3.774 4.120 0.000 0.000 0.248 163 V C 2.431 178.429 176.094 -0.160 0.000 1.055 163 V CA 2.330 64.571 62.300 -0.099 0.000 1.038 163 V CB -0.726 31.029 31.823 -0.113 0.000 0.651 163 V HN 0.352 nan 8.190 nan 0.000 0.450 164 R N 0.169 120.583 120.500 -0.143 0.000 2.073 164 R HA -0.115 4.225 4.340 0.000 0.000 0.234 164 R C 2.528 178.727 176.300 -0.168 0.000 1.134 164 R CA 1.583 57.592 56.100 -0.151 0.000 0.952 164 R CB -0.883 29.341 30.300 -0.126 0.000 0.850 164 R HN 0.597 nan 8.270 nan 0.000 0.433 165 G N 0.199 108.891 108.800 -0.180 0.000 2.422 165 G HA2 -0.205 3.755 3.960 0.000 0.000 0.218 165 G HA3 -0.205 3.755 3.960 0.000 0.000 0.218 165 G C 1.456 176.218 174.900 -0.229 0.000 1.146 165 G CA 0.651 45.643 45.100 -0.181 0.000 0.769 165 G HN 0.128 nan 8.290 nan 0.000 0.547 166 V N 1.022 120.737 119.914 -0.331 0.000 2.261 166 V HA -0.137 3.983 4.120 0.000 0.000 0.246 166 V C 2.923 178.851 176.094 -0.278 0.000 1.047 166 V CA 1.578 63.680 62.300 -0.330 0.000 1.015 166 V CB -0.441 31.151 31.823 -0.385 0.000 0.642 166 V HN 0.353 nan 8.190 nan 0.000 0.446 167 L N -0.806 120.271 121.223 -0.244 0.000 2.131 167 L HA -0.158 4.182 4.340 0.000 0.000 0.210 167 L C 2.306 179.061 176.870 -0.190 0.000 1.092 167 L CA 1.535 56.234 54.840 -0.235 0.000 0.759 167 L CB -0.489 41.461 42.059 -0.180 0.000 0.903 167 L HN 0.288 nan 8.230 nan 0.000 0.435 168 I N -0.436 120.032 120.570 -0.169 0.000 2.439 168 I HA -0.224 3.947 4.170 0.000 0.000 0.251 168 I C 1.993 178.040 176.117 -0.117 0.000 1.139 168 I CA 0.869 62.085 61.300 -0.140 0.000 1.438 168 I CB -0.264 37.669 38.000 -0.112 0.000 1.085 168 I HN 0.203 nan 8.210 nan 0.000 0.427 169 D N 0.171 120.504 120.400 -0.112 0.000 2.117 169 D HA -0.222 4.418 4.640 0.000 0.000 0.198 169 D C 1.896 178.184 176.300 -0.019 0.000 0.982 169 D CA 1.257 55.216 54.000 -0.068 0.000 0.828 169 D CB -0.326 40.423 40.800 -0.085 0.000 0.967 169 D HN 0.318 nan 8.370 nan 0.000 0.464 170 Y N 1.276 121.448 120.300 -0.214 0.000 2.097 170 Y HA -0.185 4.366 4.550 0.000 0.000 0.282 170 Y C 2.234 178.091 175.900 -0.072 0.000 1.152 170 Y CA 1.555 59.542 58.100 -0.190 0.000 1.136 170 Y CB -0.573 37.570 38.460 -0.529 0.000 0.975 170 Y HN -0.113 nan 8.280 nan 0.000 0.498 171 M N 0.076 119.415 119.600 -0.435 0.000 2.159 171 M HA -0.221 4.259 4.480 0.000 0.000 0.263 171 M C 1.743 177.968 176.300 -0.126 0.000 1.063 171 M CA 1.671 56.670 55.300 -0.502 0.000 1.110 171 M CB -0.469 31.709 32.600 -0.702 0.000 1.374 171 M HN 0.251 nan 8.290 nan 0.000 0.411 172 N N -0.313 118.342 118.700 -0.074 0.000 2.309 172 N HA -0.175 4.565 4.740 0.000 0.000 0.182 172 N C 1.566 177.106 175.510 0.051 0.000 1.018 172 N CA 1.204 54.256 53.050 0.003 0.000 0.876 172 N CB -0.545 37.943 38.487 0.002 0.000 0.972 172 N HN 0.418 nan 8.380 nan 0.000 0.434 173 H N 0.557 119.596 119.070 -0.052 0.000 2.389 173 H HA 0.099 4.655 4.556 0.000 0.000 0.299 173 H C 1.781 177.088 175.328 -0.034 0.000 1.081 173 H CA 1.374 57.408 56.048 -0.023 0.000 1.345 173 H CB 0.004 29.768 29.762 0.004 0.000 1.393 173 H HN 0.010 nan 8.280 nan 0.000 0.520 174 M N -0.298 119.202 119.600 -0.168 0.000 2.175 174 M HA -0.075 4.405 4.480 0.000 0.000 0.264 174 M C 2.401 178.616 176.300 -0.142 0.000 1.063 174 M CA 1.079 56.254 55.300 -0.209 0.000 1.119 174 M CB -0.664 31.871 32.600 -0.108 0.000 1.377 174 M HN 0.345 nan 8.290 nan 0.000 0.415 175 I N 0.138 120.670 120.570 -0.064 0.000 2.353 175 I HA -0.259 3.911 4.170 0.000 0.000 0.248 175 I C 1.732 177.801 176.117 -0.080 0.000 1.119 175 I CA 0.902 62.148 61.300 -0.089 0.000 1.417 175 I CB -0.476 37.507 38.000 -0.027 0.000 1.078 175 I HN 0.193 nan 8.210 nan 0.000 0.421 176 D N 0.928 121.309 120.400 -0.031 0.000 2.218 176 D HA -0.099 4.541 4.640 0.000 0.000 0.204 176 D C 1.990 178.300 176.300 0.016 0.000 0.976 176 D CA 1.166 55.187 54.000 0.035 0.000 0.853 176 D CB -0.093 40.758 40.800 0.086 0.000 0.939 176 D HN 0.337 nan 8.370 nan 0.000 0.481 177 L N -0.594 120.559 121.223 -0.116 0.000 2.612 177 L HA 0.196 4.536 4.340 0.000 0.000 0.230 177 L C 1.285 177.834 176.870 -0.534 0.000 1.140 177 L CA 0.228 54.982 54.840 -0.144 0.000 0.896 177 L CB -0.168 41.865 42.059 -0.044 0.000 1.065 177 L HN 0.073 nan 8.230 nan 0.000 0.447 178 G N 0.836 109.224 108.800 -0.686 0.000 2.132 178 G HA2 -0.248 3.712 3.960 0.000 0.000 0.228 178 G HA3 -0.248 3.712 3.960 0.000 0.000 0.228 178 G C 0.276 174.903 174.900 -0.454 0.000 1.000 178 G CA 0.172 44.645 45.100 -1.045 0.000 0.693 178 G HN 0.256 nan 8.290 nan 0.000 0.515 179 V N -2.267 117.443 119.914 -0.339 0.000 2.834 179 V HA 0.826 4.946 4.120 0.000 0.000 0.301 179 V C 1.200 177.085 176.094 -0.348 0.000 1.066 179 V CA 0.593 62.688 62.300 -0.341 0.000 1.052 179 V CB 1.544 33.143 31.823 -0.373 0.000 1.021 179 V HN 1.422 nan 8.190 nan 0.000 0.480 180 A N 2.547 125.152 122.820 -0.359 0.000 2.267 180 A HA 0.783 5.103 4.320 0.000 0.000 0.213 180 A C 1.123 178.596 177.584 -0.187 0.000 1.192 180 A CA 0.663 52.523 52.037 -0.295 0.000 0.851 180 A CB -0.561 18.375 19.000 -0.107 0.000 0.881 180 A HN 2.019 nan 8.150 nan 0.000 0.494 181 G N -1.850 106.774 108.800 -0.293 0.000 2.341 181 G HA2 0.470 4.430 3.960 0.000 0.000 0.299 181 G HA3 0.470 4.430 3.960 0.000 0.000 0.299 181 G C -1.767 172.793 174.900 -0.565 0.000 1.274 181 G CA -0.651 44.377 45.100 -0.120 0.000 0.853 181 G HN 0.185 nan 8.290 nan 0.000 0.493 182 F N 0.047 120.045 119.950 0.079 0.000 2.596 182 F HA 0.634 5.161 4.527 0.000 0.000 0.311 182 F C 0.125 175.708 175.800 -0.362 0.000 1.116 182 F CA -0.815 57.135 58.000 -0.084 0.000 0.957 182 F CB 2.491 41.394 39.000 -0.163 0.000 1.250 182 F HN 0.400 nan 8.300 nan 0.000 0.444 183 R N 2.958 123.293 120.500 -0.276 0.000 2.207 183 R HA 0.583 4.923 4.340 0.000 0.000 0.334 183 R C -1.618 174.544 176.300 -0.231 0.000 1.013 183 R CA -0.314 55.336 56.100 -0.751 0.000 0.858 183 R CB 1.106 31.047 30.300 -0.599 0.000 1.094 183 R HN 0.554 nan 8.270 nan 0.000 0.457 184 V N 5.017 124.812 119.914 -0.197 0.000 2.353 184 V HA 0.030 4.150 4.120 0.000 0.000 0.264 184 V C 0.245 176.365 176.094 0.043 0.000 1.049 184 V CA -0.592 61.714 62.300 0.011 0.000 0.896 184 V CB 0.908 32.803 31.823 0.119 0.000 1.025 184 V HN 0.696 nan 8.190 nan 0.000 0.475 185 D N 4.714 125.178 120.400 0.107 0.000 2.390 185 D HA 0.437 5.077 4.640 0.000 0.000 0.249 185 D C 0.922 177.297 176.300 0.125 0.000 1.144 185 D CA 0.784 54.876 54.000 0.154 0.000 0.880 185 D CB 0.953 41.921 40.800 0.280 0.000 1.182 185 D HN 1.005 nan 8.370 nan 0.000 0.451 186 A N 2.944 125.843 122.820 0.132 0.000 2.832 186 A HA -0.184 4.136 4.320 0.000 0.000 0.280 186 A C 1.769 179.436 177.584 0.137 0.000 1.464 186 A CA 1.351 53.500 52.037 0.187 0.000 0.804 186 A CB -2.162 16.986 19.000 0.247 0.000 1.020 186 A HN 0.936 nan 8.150 nan 0.000 0.563 187 A N -0.213 122.628 122.820 0.035 0.000 1.986 187 A HA -0.163 4.157 4.320 0.000 0.000 0.220 187 A C 1.886 179.413 177.584 -0.095 0.000 1.171 187 A CA 2.355 54.381 52.037 -0.019 0.000 0.640 187 A CB -0.381 18.544 19.000 -0.124 0.000 0.811 187 A HN 1.073 nan 8.150 nan 0.000 0.451 188 K N -0.952 119.342 120.400 -0.175 0.000 2.280 188 K HA -0.163 4.157 4.320 0.000 0.000 0.202 188 K C 0.942 177.435 176.600 -0.177 0.000 1.047 188 K CA 1.385 57.558 56.287 -0.191 0.000 0.942 188 K CB -0.219 32.129 32.500 -0.252 0.000 0.739 188 K HN 0.669 nan 8.250 nan 0.000 0.457 189 H N -0.419 118.713 119.070 0.102 0.000 2.519 189 H HA 0.230 4.786 4.556 0.000 0.000 0.289 189 H C -0.097 175.305 175.328 0.124 0.000 1.040 189 H CA 0.175 56.292 56.048 0.115 0.000 1.165 189 H CB 0.120 29.955 29.762 0.121 0.000 1.462 189 H HN 0.194 nan 8.280 nan 0.000 0.555 190 M N -0.276 119.439 119.600 0.191 0.000 2.727 190 M HA 0.301 4.782 4.480 0.000 0.000 0.300 190 M C -0.127 176.282 176.300 0.182 0.000 1.246 190 M CA -0.733 54.667 55.300 0.166 0.000 0.835 190 M CB 2.517 35.189 32.600 0.121 0.000 1.755 190 M HN -0.215 nan 8.290 nan 0.000 0.473 191 S N 1.382 117.137 115.700 0.092 0.000 2.480 191 S HA 0.286 4.756 4.470 0.000 0.000 0.286 191 S C -1.992 172.597 174.600 -0.018 0.000 1.180 191 S CA -1.229 56.994 58.200 0.038 0.000 1.075 191 S CB 1.309 64.506 63.200 -0.004 0.000 0.996 191 S HN 0.406 nan 8.310 nan 0.000 0.487 192 P HA -0.161 nan 4.420 nan 0.000 0.216 192 P C 1.673 178.880 177.300 -0.156 0.000 1.157 192 P CA 1.330 64.421 63.100 -0.014 0.000 0.880 192 P CB -0.056 31.585 31.700 -0.099 0.000 0.791 193 G N -0.261 108.474 108.800 -0.109 0.000 2.459 193 G HA2 -0.278 3.683 3.960 0.000 0.000 0.217 193 G HA3 -0.278 3.683 3.960 0.000 0.000 0.217 193 G C 1.288 176.056 174.900 -0.219 0.000 1.183 193 G CA 1.215 46.235 45.100 -0.134 0.000 0.776 193 G HN 0.197 nan 8.290 nan 0.000 0.552 194 D N 0.404 120.684 120.400 -0.200 0.000 2.144 194 D HA -0.045 4.595 4.640 0.000 0.000 0.199 194 D C 2.659 178.718 176.300 -0.402 0.000 0.984 194 D CA 0.454 54.315 54.000 -0.232 0.000 0.834 194 D CB -0.207 40.499 40.800 -0.158 0.000 0.955 194 D HN 0.301 nan 8.370 nan 0.000 0.465 195 L N 0.457 121.362 121.223 -0.530 0.000 2.093 195 L HA -0.125 4.215 4.340 0.000 0.000 0.208 195 L C 2.560 178.735 176.870 -1.158 0.000 1.085 195 L CA 0.711 54.978 54.840 -0.956 0.000 0.755 195 L CB -0.379 41.200 42.059 -0.800 0.000 0.904 195 L HN -0.004 nan 8.230 nan 0.000 0.435 196 S N -0.249 114.854 115.700 -0.995 0.000 2.368 196 S HA -0.147 4.323 4.470 0.000 0.000 0.225 196 S C 1.943 176.320 174.600 -0.371 0.000 1.030 196 S CA 1.376 59.133 58.200 -0.737 0.000 0.999 196 S CB -0.099 62.834 63.200 -0.444 0.000 0.844 196 S HN 0.192 nan 8.310 nan 0.000 0.459 197 V N 1.836 121.554 119.914 -0.327 0.000 2.358 197 V HA -0.088 4.032 4.120 0.000 0.000 0.246 197 V C 2.303 178.272 176.094 -0.209 0.000 1.047 197 V CA 1.741 63.917 62.300 -0.208 0.000 1.035 197 V CB -0.585 31.135 31.823 -0.172 0.000 0.658 197 V HN 0.496 nan 8.190 nan 0.000 0.452 198 I N -0.763 119.613 120.570 -0.324 0.000 2.113 198 I HA -0.208 3.962 4.170 0.000 0.000 0.238 198 I C 2.404 178.440 176.117 -0.134 0.000 1.070 198 I CA 1.682 62.811 61.300 -0.285 0.000 1.332 198 I CB -0.489 37.252 38.000 -0.431 0.000 1.044 198 I HN 0.208 nan 8.210 nan 0.000 0.402 199 F N 1.376 121.219 119.950 -0.179 0.000 2.192 199 F HA -0.228 4.299 4.527 0.000 0.000 0.301 199 F C 2.966 178.717 175.800 -0.082 0.000 1.079 199 F CA 1.434 59.356 58.000 -0.129 0.000 1.303 199 F CB -1.605 37.329 39.000 -0.110 0.000 1.024 199 F HN 0.194 nan 8.300 nan 0.000 0.494 200 S N -0.668 115.080 115.700 0.080 0.000 2.555 200 S HA 0.058 4.528 4.470 0.000 0.000 0.230 200 S C 2.023 176.632 174.600 0.016 0.000 0.978 200 S CA 0.747 58.973 58.200 0.043 0.000 0.934 200 S CB -0.688 62.517 63.200 0.008 0.000 0.766 200 S HN 0.298 nan 8.310 nan 0.000 0.533 201 G N 0.694 109.493 108.800 -0.000 0.000 3.126 201 G HA2 0.370 4.330 3.960 0.000 0.000 0.224 201 G HA3 0.370 4.330 3.960 0.000 0.000 0.224 201 G C 0.248 175.144 174.900 -0.007 0.000 1.142 201 G CA -0.498 44.592 45.100 -0.016 0.000 0.759 201 G HN 0.461 nan 8.290 nan 0.000 0.550 202 L N 1.763 122.994 121.223 0.014 0.000 2.416 202 L HA 0.254 4.594 4.340 0.000 0.000 0.272 202 L C 0.787 177.665 176.870 0.013 0.000 1.161 202 L CA -0.582 54.266 54.840 0.013 0.000 0.845 202 L CB 0.931 43.013 42.059 0.037 0.000 1.119 202 L HN 0.253 nan 8.230 nan 0.000 0.464 203 K N 2.423 122.827 120.400 0.007 0.000 2.149 203 K HA 0.210 4.530 4.320 0.000 0.000 0.245 203 K C -0.256 176.339 176.600 -0.009 0.000 1.024 203 K CA -0.812 55.478 56.287 0.004 0.000 0.899 203 K CB 0.488 32.992 32.500 0.007 0.000 1.038 203 K HN 0.380 nan 8.250 nan 0.000 0.496 204 N N 0.744 119.436 118.700 -0.013 0.000 2.444 204 N HA 0.083 4.823 4.740 0.000 0.000 0.255 204 N C 0.121 175.587 175.510 -0.074 0.000 1.255 204 N CA -0.284 52.744 53.050 -0.038 0.000 0.933 204 N CB 0.314 38.791 38.487 -0.017 0.000 1.143 204 N HN 0.411 nan 8.380 nan 0.000 0.453 205 L N 1.272 122.393 121.223 -0.171 0.000 2.506 205 L HA -0.035 4.305 4.340 0.000 0.000 0.281 205 L C 1.163 177.989 176.870 -0.072 0.000 1.228 205 L CA -0.077 54.578 54.840 -0.308 0.000 0.850 205 L CB -0.025 41.510 42.059 -0.873 0.000 1.110 205 L HN 0.426 nan 8.230 nan 0.000 0.496 206 N N 1.404 120.129 118.700 0.041 0.000 2.400 206 N HA -0.034 4.706 4.740 0.000 0.000 0.267 206 N C 1.184 176.929 175.510 0.391 0.000 1.208 206 N CA 0.197 53.384 53.050 0.228 0.000 0.951 206 N CB 0.948 39.621 38.487 0.311 0.000 1.227 206 N HN 0.686 nan 8.380 nan 0.000 0.488 207 T N 0.028 114.733 114.554 0.250 0.000 2.946 207 T HA -0.161 4.189 4.350 0.000 0.000 0.271 207 T C 0.843 175.625 174.700 0.136 0.000 1.104 207 T CA 1.242 63.476 62.100 0.223 0.000 1.114 207 T CB -0.184 68.760 68.868 0.127 0.000 0.867 207 T HN 0.383 nan 8.240 nan 0.000 0.513 208 D N -0.022 120.433 120.400 0.091 0.000 2.392 208 D HA 0.025 4.665 4.640 0.000 0.000 0.228 208 D C 0.199 176.298 176.300 -0.335 0.000 1.003 208 D CA 0.602 54.533 54.000 -0.116 0.000 0.917 208 D CB -0.226 40.471 40.800 -0.172 0.000 0.890 208 D HN 0.596 nan 8.370 nan 0.000 0.532 209 Y N -0.817 119.493 120.300 0.017 0.000 2.681 209 Y HA 0.330 4.880 4.550 0.000 0.000 0.267 209 Y C 1.453 177.157 175.900 -0.327 0.000 1.166 209 Y CA -0.413 57.624 58.100 -0.104 0.000 1.209 209 Y CB 0.880 39.328 38.460 -0.020 0.000 1.161 209 Y HN -0.056 nan 8.280 nan 0.000 0.534 210 G N 0.013 108.728 108.800 -0.141 0.000 2.182 210 G HA2 -0.291 3.669 3.960 0.000 0.000 0.248 210 G HA3 -0.291 3.669 3.960 0.000 0.000 0.248 210 G C -0.431 174.312 174.900 -0.262 0.000 1.042 210 G CA -0.397 44.583 45.100 -0.201 0.000 0.775 210 G HN 0.173 nan 8.290 nan 0.000 0.501 211 F N 0.935 120.909 119.950 0.041 0.000 2.422 211 F HA 0.749 5.277 4.527 0.000 0.000 0.333 211 F C 0.926 176.738 175.800 0.019 0.000 1.095 211 F CA -0.471 57.546 58.000 0.029 0.000 1.038 211 F CB 1.541 40.561 39.000 0.034 0.000 1.156 211 F HN 0.363 nan 8.300 nan 0.000 0.483 212 A N 1.760 124.720 122.820 0.234 0.000 2.492 212 A HA 0.108 4.429 4.320 0.000 0.000 0.236 212 A C -0.035 177.617 177.584 0.114 0.000 1.078 212 A CA -0.325 51.788 52.037 0.127 0.000 0.773 212 A CB -0.054 19.003 19.000 0.095 0.000 1.023 212 A HN 0.695 nan 8.150 nan 0.000 0.504 213 D N 0.013 120.457 120.400 0.073 0.000 2.424 213 D HA 0.388 5.029 4.640 0.000 0.000 0.244 213 D C 1.313 177.639 176.300 0.043 0.000 1.134 213 D CA 1.618 55.652 54.000 0.057 0.000 0.881 213 D CB 0.513 41.338 40.800 0.041 0.000 1.191 213 D HN 1.270 nan 8.370 nan 0.000 0.445 214 G N 2.224 111.044 108.800 0.032 0.000 2.162 214 G HA2 -0.168 3.792 3.960 0.000 0.000 0.260 214 G HA3 -0.168 3.792 3.960 0.000 0.000 0.260 214 G C 0.489 175.393 174.900 0.007 0.000 0.976 214 G CA 0.406 45.517 45.100 0.018 0.000 0.655 214 G HN 0.889 nan 8.290 nan 0.000 0.533 215 A N 0.130 122.951 122.820 0.002 0.000 2.498 215 A HA 0.625 4.945 4.320 0.000 0.000 0.239 215 A C 0.764 178.300 177.584 -0.079 0.000 1.068 215 A CA 0.337 52.352 52.037 -0.035 0.000 0.766 215 A CB 0.327 19.295 19.000 -0.054 0.000 1.003 215 A HN 0.385 nan 8.150 nan 0.000 0.497 216 R N 2.223 122.686 120.500 -0.062 0.000 2.589 216 R HA 0.461 4.802 4.340 0.000 0.000 0.293 216 R C -2.847 173.423 176.300 -0.050 0.000 0.963 216 R CA -2.432 53.643 56.100 -0.043 0.000 0.905 216 R CB 1.117 31.421 30.300 0.006 0.000 1.144 216 R HN 0.545 nan 8.270 nan 0.000 0.459 217 P HA -0.062 nan 4.420 nan 0.000 0.264 217 P C -0.356 177.004 177.300 0.100 0.000 1.183 217 P CA -0.021 63.074 63.100 -0.009 0.000 0.763 217 P CB 0.318 32.060 31.700 0.069 0.000 0.807 218 F N 4.816 124.748 119.950 -0.029 0.000 2.443 218 F HA 0.295 4.822 4.527 0.000 0.000 0.353 218 F C -0.075 175.765 175.800 0.067 0.000 1.101 218 F CA -0.870 57.135 58.000 0.010 0.000 1.226 218 F CB 0.160 39.178 39.000 0.031 0.000 1.140 218 F HN 0.124 nan 8.300 nan 0.000 0.557 219 I N 8.701 129.007 120.570 -0.440 0.000 2.439 219 I HA 0.149 4.319 4.170 0.000 0.000 0.283 219 I C -1.275 174.558 176.117 -0.474 0.000 1.023 219 I CA -0.709 60.328 61.300 -0.438 0.000 1.100 219 I CB 0.889 38.605 38.000 -0.472 0.000 1.238 219 I HN 0.507 nan 8.210 nan 0.000 0.445 220 Y N 3.911 123.832 120.300 -0.631 0.000 2.364 220 Y HA 0.749 5.299 4.550 0.000 0.000 0.340 220 Y C -0.603 175.202 175.900 -0.157 0.000 0.975 220 Y CA -1.460 56.392 58.100 -0.413 0.000 1.089 220 Y CB 0.959 39.149 38.460 -0.450 0.000 1.192 220 Y HN 0.490 nan 8.280 nan 0.000 0.454 221 Q N 2.314 122.113 119.800 -0.001 0.000 2.312 221 Q HA 0.281 4.621 4.340 0.000 0.000 0.263 221 Q C -0.998 175.023 176.000 0.036 0.000 0.995 221 Q CA -0.949 54.854 55.803 -0.000 0.000 0.853 221 Q CB 2.747 31.524 28.738 0.065 0.000 1.300 221 Q HN 0.787 nan 8.270 nan 0.000 0.448 222 E N 2.541 122.759 120.200 0.029 0.000 2.129 222 E HA 0.247 4.597 4.350 0.000 0.000 0.283 222 E C -1.330 175.248 176.600 -0.038 0.000 1.080 222 E CA -0.243 56.221 56.400 0.107 0.000 0.867 222 E CB 0.552 30.319 29.700 0.111 0.000 1.056 222 E HN 0.337 nan 8.360 nan 0.000 0.404 223 V N 7.351 127.244 119.914 -0.034 0.000 2.509 223 V HA 0.228 4.348 4.120 0.000 0.000 0.289 223 V C -0.136 175.835 176.094 -0.204 0.000 1.026 223 V CA -0.597 61.594 62.300 -0.181 0.000 0.872 223 V CB 1.318 32.987 31.823 -0.256 0.000 1.017 223 V HN 0.668 nan 8.190 nan 0.000 0.436 224 I N 3.924 124.244 120.570 -0.416 0.000 2.278 224 I HA 0.310 4.480 4.170 0.000 0.000 0.296 224 I C -0.342 175.639 176.117 -0.227 0.000 1.121 224 I CA 0.338 61.291 61.300 -0.579 0.000 1.267 224 I CB 0.453 38.031 38.000 -0.704 0.000 1.447 224 I HN 0.554 nan 8.210 nan 0.000 0.509 225 D N 7.251 127.604 120.400 -0.080 0.000 2.471 225 D HA 0.341 4.981 4.640 0.000 0.000 0.245 225 D C 0.017 176.334 176.300 0.028 0.000 1.116 225 D CA -0.383 53.609 54.000 -0.014 0.000 0.853 225 D CB 1.407 42.225 40.800 0.030 0.000 1.123 225 D HN 0.385 nan 8.370 nan 0.000 0.540 226 L N 3.006 124.233 121.223 0.006 0.000 2.857 226 L HA 0.523 4.863 4.340 0.000 0.000 0.249 226 L C 0.994 177.874 176.870 0.017 0.000 1.172 226 L CA -0.031 54.825 54.840 0.027 0.000 0.980 226 L CB -0.086 41.985 42.059 0.020 0.000 1.299 226 L HN 0.680 nan 8.230 nan 0.000 0.535 227 G N -0.910 107.898 108.800 0.013 0.000 2.612 227 G HA2 0.151 4.111 3.960 0.000 0.000 0.686 227 G HA3 0.151 4.111 3.960 0.000 0.000 0.686 227 G C 0.436 175.341 174.900 0.008 0.000 1.274 227 G CA -0.423 44.685 45.100 0.014 0.000 0.849 227 G HN 0.411 nan 8.290 nan 0.000 0.595 228 G N -0.753 108.055 108.800 0.014 0.000 2.225 228 G HA2 -0.060 3.901 3.960 0.000 0.000 0.267 228 G HA3 -0.060 3.901 3.960 0.000 0.000 0.267 228 G C 0.209 175.127 174.900 0.029 0.000 1.024 228 G CA 1.806 46.916 45.100 0.016 0.000 0.784 228 G HN 1.108 nan 8.290 nan 0.000 0.507 229 E N -1.532 118.691 120.200 0.038 0.000 2.339 229 E HA 0.690 5.040 4.350 0.000 0.000 0.262 229 E C 1.238 177.873 176.600 0.059 0.000 0.934 229 E CA -0.511 55.928 56.400 0.065 0.000 0.802 229 E CB 1.321 31.070 29.700 0.082 0.000 1.275 229 E HN 0.352 nan 8.360 nan 0.000 0.427 230 A N 1.237 124.097 122.820 0.066 0.000 2.119 230 A HA 0.050 4.370 4.320 0.000 0.000 0.217 230 A C 0.781 178.395 177.584 0.050 0.000 1.153 230 A CA 0.816 52.880 52.037 0.045 0.000 0.692 230 A CB -0.261 18.758 19.000 0.032 0.000 0.799 230 A HN 0.430 nan 8.150 nan 0.000 0.458 231 I N -0.300 120.314 120.570 0.074 0.000 2.441 231 I HA 0.375 4.545 4.170 0.000 0.000 0.295 231 I C 0.008 176.189 176.117 0.106 0.000 0.994 231 I CA -0.419 60.940 61.300 0.098 0.000 1.144 231 I CB 2.013 40.086 38.000 0.122 0.000 1.314 231 I HN 0.098 nan 8.210 nan 0.000 0.445 232 S N 4.400 120.179 115.700 0.131 0.000 2.542 232 S HA 0.319 4.789 4.470 0.000 0.000 0.293 232 S C 0.773 175.499 174.600 0.210 0.000 1.089 232 S CA -0.897 57.377 58.200 0.123 0.000 0.961 232 S CB 1.600 64.843 63.200 0.072 0.000 1.062 232 S HN 0.753 nan 8.310 nan 0.000 0.483 233 K N 3.224 123.725 120.400 0.168 0.000 2.152 233 K HA -0.140 4.180 4.320 0.000 0.000 0.206 233 K C 1.053 177.776 176.600 0.205 0.000 1.048 233 K CA 1.988 58.395 56.287 0.200 0.000 0.933 233 K CB -0.673 31.903 32.500 0.127 0.000 0.721 233 K HN 0.638 nan 8.250 nan 0.000 0.447 234 N N 1.382 120.149 118.700 0.112 0.000 2.519 234 N HA -0.115 4.625 4.740 0.000 0.000 0.186 234 N C 0.854 176.357 175.510 -0.012 0.000 1.062 234 N CA 1.041 54.116 53.050 0.042 0.000 0.910 234 N CB 0.047 38.547 38.487 0.022 0.000 0.958 234 N HN 0.441 nan 8.380 nan 0.000 0.445 235 E N -0.749 119.446 120.200 -0.009 0.000 2.481 235 E HA -0.069 4.281 4.350 0.000 0.000 0.195 235 E C 0.337 176.676 176.600 -0.436 0.000 1.047 235 E CA 0.560 56.836 56.400 -0.207 0.000 0.867 235 E CB 0.164 29.697 29.700 -0.279 0.000 0.858 235 E HN 0.601 nan 8.360 nan 0.000 0.513 236 Y N -0.438 119.750 120.300 -0.187 0.000 2.430 236 Y HA 0.023 4.573 4.550 0.000 0.000 0.248 236 Y C 2.434 177.954 175.900 -0.634 0.000 1.108 236 Y CA 0.646 58.506 58.100 -0.400 0.000 1.264 236 Y CB 0.416 38.850 38.460 -0.044 0.000 1.172 236 Y HN 0.055 nan 8.280 nan 0.000 0.520 237 T N -3.301 111.110 114.554 -0.239 0.000 3.072 237 T HA -0.032 4.318 4.350 0.000 0.000 0.266 237 T C 2.129 176.674 174.700 -0.258 0.000 1.127 237 T CA 0.997 62.983 62.100 -0.190 0.000 1.107 237 T CB -0.451 68.372 68.868 -0.074 0.000 0.910 237 T HN 0.367 nan 8.240 nan 0.000 0.513 238 G N 1.205 109.752 108.800 -0.422 0.000 2.484 238 G HA2 0.113 4.073 3.960 0.000 0.000 0.218 238 G HA3 0.113 4.073 3.960 0.000 0.000 0.218 238 G C 0.812 175.650 174.900 -0.103 0.000 1.130 238 G CA 0.444 45.404 45.100 -0.234 0.000 0.784 238 G HN 0.730 nan 8.290 nan 0.000 0.543 239 F N -1.224 118.789 119.950 0.105 0.000 2.772 239 F HA 0.632 5.159 4.527 0.000 0.000 0.316 239 F C 0.549 176.419 175.800 0.117 0.000 1.114 239 F CA -1.237 56.844 58.000 0.134 0.000 1.191 239 F CB 0.276 39.397 39.000 0.202 0.000 1.065 239 F HN 0.190 nan 8.300 nan 0.000 0.534 240 G N -0.654 108.203 108.800 0.095 0.000 2.322 240 G HA2 0.368 4.328 3.960 0.000 0.000 0.295 240 G HA3 0.368 4.328 3.960 0.000 0.000 0.295 240 G C -1.646 173.259 174.900 0.009 0.000 1.369 240 G CA -0.808 44.331 45.100 0.064 0.000 0.821 240 G HN 0.147 nan 8.290 nan 0.000 0.536 241 C N -0.774 118.518 119.300 -0.014 0.000 2.422 241 C HA 0.787 5.247 4.460 0.000 0.000 0.364 241 C C 0.637 175.651 174.990 0.041 0.000 1.251 241 C CA -0.334 58.692 59.018 0.014 0.000 2.441 241 C CB 0.861 28.620 27.740 0.032 0.000 2.393 241 C HN 0.582 nan 8.230 nan 0.000 0.606 242 V N 2.135 122.091 119.914 0.070 0.000 2.735 242 V HA 0.363 4.483 4.120 0.000 0.000 0.310 242 V C -0.272 175.918 176.094 0.162 0.000 1.061 242 V CA -0.494 61.872 62.300 0.109 0.000 0.913 242 V CB 1.725 33.610 31.823 0.103 0.000 1.005 242 V HN 0.653 nan 8.190 nan 0.000 0.428 243 L N 3.179 124.547 121.223 0.242 0.000 2.477 243 L HA 0.247 4.587 4.340 0.000 0.000 0.272 243 L C 0.461 177.520 176.870 0.315 0.000 1.157 243 L CA 0.140 55.166 54.840 0.310 0.000 0.889 243 L CB 0.356 42.655 42.059 0.400 0.000 1.158 243 L HN 0.662 nan 8.230 nan 0.000 0.473 244 E N 3.096 123.381 120.200 0.142 0.000 1.963 244 E HA 0.118 4.468 4.350 0.000 0.000 0.274 244 E C 0.081 176.645 176.600 -0.059 0.000 1.061 244 E CA -0.013 56.453 56.400 0.110 0.000 0.847 244 E CB 0.246 30.004 29.700 0.096 0.000 1.083 244 E HN 0.334 nan 8.360 nan 0.000 0.402 245 F N 2.347 122.339 119.950 0.070 0.000 2.661 245 F HA 0.022 4.549 4.527 0.000 0.000 0.298 245 F C 2.058 177.884 175.800 0.044 0.000 1.137 245 F CA 0.394 58.424 58.000 0.050 0.000 1.454 245 F CB 0.012 39.087 39.000 0.125 0.000 1.103 245 F HN 0.474 nan 8.300 nan 0.000 0.577 246 Q N -0.108 119.819 119.800 0.210 0.000 2.230 246 Q HA -0.150 4.190 4.340 0.000 0.000 0.202 246 Q C 2.015 178.102 176.000 0.147 0.000 0.963 246 Q CA 1.246 57.141 55.803 0.154 0.000 0.866 246 Q CB -0.516 28.291 28.738 0.114 0.000 0.931 246 Q HN 0.414 nan 8.270 nan 0.000 0.452 247 F N -0.249 119.670 119.950 -0.051 0.000 2.026 247 F HA -0.121 4.406 4.527 0.000 0.000 0.296 247 F C 1.990 177.793 175.800 0.005 0.000 1.133 247 F CA 2.302 60.296 58.000 -0.009 0.000 1.188 247 F CB -0.811 38.118 39.000 -0.117 0.000 0.968 247 F HN 0.197 nan 8.300 nan 0.000 0.476 248 G N -0.385 108.500 108.800 0.142 0.000 2.442 248 G HA2 -0.232 3.728 3.960 0.000 0.000 0.219 248 G HA3 -0.232 3.728 3.960 0.000 0.000 0.219 248 G C 1.647 176.577 174.900 0.049 0.000 1.141 248 G CA 1.263 46.396 45.100 0.055 0.000 0.763 248 G HN 0.386 nan 8.290 nan 0.000 0.554 249 V N 0.717 120.677 119.914 0.077 0.000 2.379 249 V HA -0.130 3.990 4.120 0.000 0.000 0.245 249 V C 3.039 179.173 176.094 0.065 0.000 1.044 249 V CA 2.140 64.490 62.300 0.082 0.000 1.036 249 V CB -0.303 31.583 31.823 0.106 0.000 0.664 249 V HN 0.355 nan 8.190 nan 0.000 0.453 250 S N -0.221 115.530 115.700 0.084 0.000 2.371 250 S HA 0.025 4.495 4.470 0.000 0.000 0.224 250 S C 1.898 176.432 174.600 -0.111 0.000 1.029 250 S CA 1.112 59.382 58.200 0.117 0.000 0.978 250 S CB -0.190 63.206 63.200 0.327 0.000 0.833 250 S HN 0.400 nan 8.310 nan 0.000 0.466 251 L N 1.004 122.059 121.223 -0.281 0.000 2.005 251 L HA -0.041 4.299 4.340 0.000 0.000 0.207 251 L C 2.825 179.623 176.870 -0.121 0.000 1.072 251 L CA 1.316 55.896 54.840 -0.434 0.000 0.744 251 L CB -1.305 40.444 42.059 -0.517 0.000 0.895 251 L HN 0.426 nan 8.230 nan 0.000 0.433 252 G N 0.129 108.911 108.800 -0.030 0.000 2.513 252 G HA2 -0.413 3.547 3.960 0.000 0.000 0.219 252 G HA3 -0.413 3.547 3.960 0.000 0.000 0.219 252 G C 1.305 176.221 174.900 0.027 0.000 1.160 252 G CA 1.488 46.615 45.100 0.045 0.000 0.767 252 G HN 0.429 nan 8.290 nan 0.000 0.571 253 N N 0.909 119.609 118.700 -0.000 0.000 2.120 253 N HA 0.025 4.765 4.740 0.000 0.000 0.188 253 N C 2.384 177.862 175.510 -0.053 0.000 1.024 253 N CA 1.850 54.897 53.050 -0.005 0.000 0.852 253 N CB -0.375 38.122 38.487 0.017 0.000 1.003 253 N HN 0.287 nan 8.380 nan 0.000 0.424 254 A N -0.229 122.508 122.820 -0.139 0.000 1.858 254 A HA -0.043 4.277 4.320 0.000 0.000 0.216 254 A C 1.828 179.215 177.584 -0.328 0.000 1.190 254 A CA 1.106 52.968 52.037 -0.291 0.000 0.617 254 A CB -1.168 17.505 19.000 -0.546 0.000 0.827 254 A HN 0.385 nan 8.150 nan 0.000 0.443 255 F N 0.342 120.160 119.950 -0.220 0.000 2.641 255 F HA -0.057 4.470 4.527 0.000 0.000 0.298 255 F C 2.030 177.781 175.800 -0.081 0.000 1.146 255 F CA 1.184 59.081 58.000 -0.172 0.000 1.464 255 F CB -0.085 38.799 39.000 -0.194 0.000 1.101 255 F HN 0.347 nan 8.300 nan 0.000 0.585 256 Q N -0.615 119.229 119.800 0.073 0.000 2.201 256 Q HA 0.275 4.615 4.340 0.000 0.000 0.217 256 Q C 1.487 177.495 176.000 0.014 0.000 0.860 256 Q CA 0.391 56.227 55.803 0.055 0.000 0.984 256 Q CB 0.486 29.250 28.738 0.044 0.000 1.095 256 Q HN 0.407 nan 8.270 nan 0.000 0.477 257 G N 0.251 109.039 108.800 -0.019 0.000 2.162 257 G HA2 -0.317 3.643 3.960 0.000 0.000 0.260 257 G HA3 -0.317 3.643 3.960 0.000 0.000 0.260 257 G C 0.750 175.624 174.900 -0.044 0.000 0.976 257 G CA 0.124 45.202 45.100 -0.037 0.000 0.655 257 G HN 0.545 nan 8.290 nan 0.000 0.533 258 G N -0.829 107.944 108.800 -0.046 0.000 2.484 258 G HA2 0.184 4.144 3.960 0.000 0.000 0.218 258 G HA3 0.184 4.144 3.960 0.000 0.000 0.218 258 G C 0.660 175.532 174.900 -0.047 0.000 1.130 258 G CA 1.178 46.257 45.100 -0.036 0.000 0.784 258 G HN 0.632 nan 8.290 nan 0.000 0.543 259 N N -0.965 117.688 118.700 -0.077 0.000 2.571 259 N HA 0.249 4.989 4.740 0.000 0.000 0.273 259 N C -1.238 174.206 175.510 -0.109 0.000 1.340 259 N CA -0.518 52.488 53.050 -0.073 0.000 0.789 259 N CB 1.412 39.879 38.487 -0.034 0.000 1.514 259 N HN 0.002 nan 8.380 nan 0.000 0.499 260 Q N 1.581 121.330 119.800 -0.085 0.000 2.274 260 Q HA 0.320 4.660 4.340 0.000 0.000 0.256 260 Q C 1.156 177.083 176.000 -0.123 0.000 0.927 260 Q CA -0.321 55.427 55.803 -0.092 0.000 0.939 260 Q CB 1.774 30.479 28.738 -0.055 0.000 1.201 260 Q HN 0.532 nan 8.270 nan 0.000 0.426 261 L N 2.721 123.828 121.223 -0.195 0.000 2.263 261 L HA -0.259 4.081 4.340 0.000 0.000 0.216 261 L C 2.293 179.133 176.870 -0.051 0.000 1.111 261 L CA 1.477 56.155 54.840 -0.271 0.000 0.773 261 L CB -0.560 41.315 42.059 -0.307 0.000 0.906 261 L HN 0.662 nan 8.230 nan 0.000 0.439 262 K N 0.033 120.446 120.400 0.021 0.000 2.211 262 K HA -0.170 4.151 4.320 0.000 0.000 0.203 262 K C 1.272 177.994 176.600 0.203 0.000 1.050 262 K CA 1.771 58.154 56.287 0.161 0.000 0.945 262 K CB -0.393 32.145 32.500 0.063 0.000 0.732 262 K HN 0.379 nan 8.250 nan 0.000 0.451 263 N N 0.841 119.611 118.700 0.117 0.000 2.550 263 N HA 0.029 4.769 4.740 0.000 0.000 0.186 263 N C 0.991 176.692 175.510 0.317 0.000 1.110 263 N CA 0.261 53.411 53.050 0.167 0.000 0.912 263 N CB -0.003 38.566 38.487 0.136 0.000 0.968 263 N HN 0.149 nan 8.380 nan 0.000 0.448 264 L N 0.179 121.506 121.223 0.174 0.000 2.610 264 L HA 0.107 4.447 4.340 0.000 0.000 0.232 264 L C 2.245 179.107 176.870 -0.014 0.000 1.149 264 L CA -0.252 54.612 54.840 0.041 0.000 0.872 264 L CB -0.399 41.495 42.059 -0.276 0.000 0.992 264 L HN 0.213 nan 8.230 nan 0.000 0.447 265 A N 1.978 124.646 122.820 -0.252 0.000 1.892 265 A HA -0.229 4.091 4.320 0.000 0.000 0.218 265 A C 1.760 179.099 177.584 -0.409 0.000 1.188 265 A CA 2.175 53.655 52.037 -0.929 0.000 0.631 265 A CB -0.589 17.970 19.000 -0.735 0.000 0.822 265 A HN 0.650 nan 8.150 nan 0.000 0.447 266 N N -1.097 117.581 118.700 -0.035 0.000 2.378 266 N HA -0.030 4.710 4.740 0.000 0.000 0.243 266 N C -0.015 175.654 175.510 0.266 0.000 1.137 266 N CA -0.592 52.519 53.050 0.102 0.000 0.862 266 N CB -0.587 37.967 38.487 0.112 0.000 1.116 266 N HN 0.696 nan 8.380 nan 0.000 0.499 267 W N 1.341 122.567 121.300 -0.122 0.000 2.257 267 W HA 0.344 5.004 4.660 0.000 0.000 0.337 267 W C 0.407 176.727 176.519 -0.332 0.000 1.321 267 W CA 1.704 58.743 57.345 -0.510 0.000 1.267 267 W CB 0.464 29.561 29.460 -0.605 0.000 1.187 267 W HN 0.428 nan 8.180 nan 0.000 0.565 268 G N 5.311 113.394 108.800 -1.195 0.000 2.265 268 G HA2 -0.197 3.763 3.960 0.000 0.000 0.246 268 G HA3 -0.197 3.763 3.960 0.000 0.000 0.246 268 G C -2.356 172.294 174.900 -0.416 0.000 1.299 268 G CA -0.395 44.203 45.100 -0.838 0.000 1.117 268 G HN 0.201 nan 8.290 nan 0.000 0.485 269 P HA -0.065 nan 4.420 nan 0.000 0.217 269 P C 1.486 178.790 177.300 0.007 0.000 1.148 269 P CA 1.886 64.983 63.100 -0.005 0.000 0.834 269 P CB 0.071 31.800 31.700 0.049 0.000 0.783 270 E N -1.975 118.251 120.200 0.044 0.000 2.171 270 E HA -0.195 4.155 4.350 0.000 0.000 0.197 270 E C 1.054 177.688 176.600 0.057 0.000 0.997 270 E CA 1.207 57.647 56.400 0.066 0.000 0.810 270 E CB -0.613 29.164 29.700 0.128 0.000 0.738 270 E HN 0.334 nan 8.360 nan 0.000 0.467 271 W N -0.749 120.416 121.300 -0.224 0.000 3.256 271 W HA 0.352 5.012 4.660 0.000 0.000 0.269 271 W C 1.099 177.507 176.519 -0.186 0.000 1.310 271 W CA 0.750 57.961 57.345 -0.223 0.000 1.673 271 W CB 0.382 29.622 29.460 -0.366 0.000 1.115 271 W HN 0.179 nan 8.180 nan 0.000 0.686 272 G N 0.108 108.928 108.800 0.034 0.000 2.145 272 G HA2 -0.223 3.737 3.960 0.000 0.000 0.176 272 G HA3 -0.223 3.737 3.960 0.000 0.000 0.176 272 G C -0.172 174.729 174.900 0.002 0.000 1.013 272 G CA -0.581 44.526 45.100 0.013 0.000 0.689 272 G HN 0.093 nan 8.290 nan 0.000 0.506 273 L N 0.017 121.213 121.223 -0.045 0.000 2.387 273 L HA 0.640 4.980 4.340 0.000 0.000 0.266 273 L C 1.534 178.452 176.870 0.080 0.000 1.059 273 L CA -1.144 53.679 54.840 -0.028 0.000 0.801 273 L CB 0.936 42.848 42.059 -0.244 0.000 1.223 273 L HN 0.046 nan 8.230 nan 0.000 0.456 274 L N 0.400 121.712 121.223 0.148 0.000 2.468 274 L HA 0.051 4.391 4.340 0.000 0.000 0.253 274 L C 0.413 177.360 176.870 0.128 0.000 1.237 274 L CA -0.112 54.796 54.840 0.113 0.000 0.823 274 L CB 0.128 42.243 42.059 0.093 0.000 1.124 274 L HN 0.520 nan 8.230 nan 0.000 0.504 275 E N 0.139 120.364 120.200 0.041 0.000 2.338 275 E HA 0.107 4.458 4.350 0.000 0.000 0.272 275 E C 0.948 177.462 176.600 -0.144 0.000 1.029 275 E CA 0.655 57.057 56.400 0.003 0.000 0.872 275 E CB 1.480 31.172 29.700 -0.014 0.000 1.015 275 E HN 0.551 nan 8.360 nan 0.000 0.417 276 G N 3.804 112.405 108.800 -0.331 0.000 2.596 276 G HA2 -0.288 3.672 3.960 0.000 0.000 0.223 276 G HA3 -0.288 3.672 3.960 0.000 0.000 0.223 276 G C 1.049 175.681 174.900 -0.446 0.000 1.120 276 G CA 1.541 46.152 45.100 -0.814 0.000 0.752 276 G HN 0.574 nan 8.290 nan 0.000 0.596 277 L N -2.188 118.901 121.223 -0.224 0.000 2.627 277 L HA 0.468 4.808 4.340 0.000 0.000 0.232 277 L C 0.678 177.501 176.870 -0.079 0.000 1.150 277 L CA 0.719 55.478 54.840 -0.135 0.000 0.917 277 L CB 0.264 42.272 42.059 -0.085 0.000 1.104 277 L HN -0.176 nan 8.230 nan 0.000 0.445 278 D N 0.550 120.896 120.400 -0.090 0.000 2.449 278 D HA 0.367 5.007 4.640 0.000 0.000 0.210 278 D C 0.800 177.087 176.300 -0.022 0.000 1.094 278 D CA 0.534 54.513 54.000 -0.034 0.000 0.846 278 D CB 0.854 41.640 40.800 -0.024 0.000 1.003 278 D HN 0.448 nan 8.370 nan 0.000 0.504 279 A N 0.453 123.224 122.820 -0.080 0.000 2.325 279 A HA 0.638 4.958 4.320 0.000 0.000 0.333 279 A C -0.464 177.085 177.584 -0.059 0.000 1.155 279 A CA -0.437 51.570 52.037 -0.049 0.000 0.814 279 A CB 1.544 20.517 19.000 -0.044 0.000 1.206 279 A HN -0.074 nan 8.150 nan 0.000 0.482 280 V N 2.781 122.692 119.914 -0.006 0.000 2.407 280 V HA 0.492 4.612 4.120 0.000 0.000 0.291 280 V C 0.025 176.106 176.094 -0.022 0.000 1.018 280 V CA -0.436 61.850 62.300 -0.024 0.000 0.842 280 V CB 1.270 33.075 31.823 -0.029 0.000 0.996 280 V HN 0.987 nan 8.190 nan 0.000 0.426 281 V N 3.262 123.078 119.914 -0.164 0.000 2.975 281 V HA 0.974 5.094 4.120 0.000 0.000 0.318 281 V C -0.699 175.268 176.094 -0.212 0.000 1.077 281 V CA -0.743 61.249 62.300 -0.514 0.000 1.000 281 V CB 1.710 32.776 31.823 -1.263 0.000 1.066 281 V HN 0.948 nan 8.190 nan 0.000 0.452 282 F N -1.059 118.682 119.950 -0.348 0.000 2.769 282 F HA 0.704 5.231 4.527 0.000 0.000 0.313 282 F C -0.119 175.771 175.800 0.150 0.000 1.146 282 F CA -0.900 57.063 58.000 -0.061 0.000 0.934 282 F CB 0.697 39.659 39.000 -0.063 0.000 1.283 282 F HN 0.224 nan 8.300 nan 0.000 0.443 283 V N 0.183 120.285 119.914 0.312 0.000 2.535 283 V HA 0.087 4.207 4.120 0.000 0.000 0.246 283 V C -0.060 176.242 176.094 0.346 0.000 1.045 283 V CA 1.924 64.403 62.300 0.297 0.000 1.058 283 V CB -0.557 31.437 31.823 0.284 0.000 0.689 283 V HN 0.924 nan 8.190 nan 0.000 0.461 284 D N -0.685 120.018 120.400 0.504 0.000 2.623 284 D HA 0.255 4.895 4.640 0.000 0.000 0.241 284 D C -1.171 175.352 176.300 0.370 0.000 1.241 284 D CA -0.620 53.639 54.000 0.432 0.000 0.788 284 D CB 1.535 42.500 40.800 0.275 0.000 1.413 284 D HN 0.234 nan 8.370 nan 0.000 0.429 285 N N -1.509 117.278 118.700 0.146 0.000 3.038 285 N HA 0.139 4.879 4.740 0.000 0.000 0.307 285 N C 1.225 176.654 175.510 -0.135 0.000 1.441 285 N CA -0.484 52.506 53.050 -0.100 0.000 0.772 285 N CB 0.151 38.382 38.487 -0.428 0.000 1.651 285 N HN 0.606 nan 8.380 nan 0.000 0.593 286 H N -1.117 117.752 119.070 -0.336 0.000 2.457 286 H HA -0.018 4.538 4.556 0.000 0.000 0.297 286 H C -0.169 174.818 175.328 -0.567 0.000 1.092 286 H CA 1.419 57.055 56.048 -0.686 0.000 1.309 286 H CB -0.069 28.962 29.762 -1.219 0.000 1.382 286 H HN 0.549 nan 8.280 nan 0.000 0.535 287 D N 1.194 121.187 120.400 -0.678 0.000 2.197 287 D HA -0.101 4.539 4.640 0.000 0.000 0.212 287 D C 1.646 177.862 176.300 -0.140 0.000 0.963 287 D CA 1.172 54.940 54.000 -0.387 0.000 0.864 287 D CB -0.054 40.564 40.800 -0.303 0.000 1.009 287 D HN 0.554 nan 8.370 nan 0.000 0.479 288 N N 1.180 119.854 118.700 -0.043 0.000 2.467 288 N HA -0.139 4.601 4.740 0.000 0.000 0.184 288 N C 1.555 177.091 175.510 0.043 0.000 1.106 288 N CA 0.391 53.472 53.050 0.052 0.000 0.892 288 N CB -0.592 37.990 38.487 0.160 0.000 0.969 288 N HN 0.320 nan 8.380 nan 0.000 0.454 289 Q N -0.261 119.538 119.800 -0.002 0.000 2.435 289 Q HA 0.092 4.432 4.340 0.000 0.000 0.207 289 Q C 1.500 177.567 176.000 0.112 0.000 0.956 289 Q CA 0.510 56.343 55.803 0.050 0.000 0.917 289 Q CB 0.016 28.796 28.738 0.070 0.000 0.997 289 Q HN 0.305 nan 8.270 nan 0.000 0.497 290 R N 0.472 120.977 120.500 0.008 0.000 2.103 290 R HA 0.060 4.400 4.340 0.000 0.000 0.212 290 R C 0.912 177.270 176.300 0.096 0.000 1.107 290 R CA 1.550 57.679 56.100 0.048 0.000 1.025 290 R CB 0.598 30.841 30.300 -0.096 0.000 0.929 290 R HN 0.391 nan 8.270 nan 0.000 0.456 291 T N -3.390 111.203 114.554 0.066 0.000 3.442 291 T HA 0.236 4.587 4.350 0.000 0.000 0.295 291 T C 1.059 175.794 174.700 0.059 0.000 1.007 291 T CA -0.195 61.946 62.100 0.069 0.000 0.962 291 T CB 1.257 70.167 68.868 0.069 0.000 1.187 291 T HN 0.187 nan 8.240 nan 0.000 0.490 292 G N 0.916 109.755 108.800 0.065 0.000 2.551 292 G HA2 0.492 4.452 3.960 0.000 0.000 0.216 292 G HA3 0.492 4.452 3.960 0.000 0.000 0.216 292 G C 1.020 175.958 174.900 0.063 0.000 1.137 292 G CA 0.181 45.327 45.100 0.076 0.000 0.798 292 G HN 1.285 nan 8.290 nan 0.000 0.536 293 G N -0.773 108.058 108.800 0.051 0.000 2.712 293 G HA2 0.028 3.988 3.960 0.000 0.000 0.683 293 G HA3 0.028 3.988 3.960 0.000 0.000 0.683 293 G C 1.027 175.949 174.900 0.035 0.000 1.320 293 G CA 0.354 45.478 45.100 0.040 0.000 0.847 293 G HN 0.976 nan 8.290 nan 0.000 0.553 294 S N -0.725 114.991 115.700 0.027 0.000 2.392 294 S HA -0.275 4.196 4.470 0.000 0.000 0.232 294 S C 2.016 176.634 174.600 0.029 0.000 1.041 294 S CA 2.415 60.628 58.200 0.022 0.000 1.026 294 S CB -0.295 62.915 63.200 0.018 0.000 0.845 294 S HN 0.765 nan 8.310 nan 0.000 0.465 295 Q N 0.371 120.194 119.800 0.037 0.000 2.224 295 Q HA 0.208 4.548 4.340 0.000 0.000 0.203 295 Q C 0.258 176.292 176.000 0.057 0.000 0.970 295 Q CA 0.520 56.349 55.803 0.045 0.000 0.865 295 Q CB -0.199 28.569 28.738 0.049 0.000 0.922 295 Q HN 0.493 nan 8.270 nan 0.000 0.445 296 I N 1.361 121.969 120.570 0.063 0.000 2.441 296 I HA 0.083 4.253 4.170 0.000 0.000 0.287 296 I C -0.014 176.137 176.117 0.057 0.000 1.049 296 I CA -0.275 61.072 61.300 0.079 0.000 1.381 296 I CB 0.201 38.257 38.000 0.094 0.000 1.409 296 I HN 0.094 nan 8.210 nan 0.000 0.523 297 L N 6.680 127.957 121.223 0.091 0.000 2.307 297 L HA 0.475 4.815 4.340 0.000 0.000 0.282 297 L C 0.595 177.407 176.870 -0.097 0.000 1.051 297 L CA -0.231 54.652 54.840 0.072 0.000 0.804 297 L CB 1.547 43.741 42.059 0.226 0.000 1.197 297 L HN 0.747 nan 8.230 nan 0.000 0.431 298 T N -2.269 112.046 114.554 -0.399 0.000 2.831 298 T HA 0.253 4.603 4.350 0.000 0.000 0.287 298 T C 0.785 174.884 174.700 -1.002 0.000 1.070 298 T CA -0.569 61.072 62.100 -0.765 0.000 1.010 298 T CB 0.707 69.361 68.868 -0.357 0.000 1.264 298 T HN 0.525 nan 8.240 nan 0.000 0.532 299 Y N 0.510 120.347 120.300 -0.772 0.000 2.465 299 Y HA 0.105 4.655 4.550 0.000 0.000 0.289 299 Y C 1.768 177.688 175.900 0.033 0.000 1.150 299 Y CA 0.904 58.920 58.100 -0.141 0.000 1.293 299 Y CB -0.867 37.651 38.460 0.096 0.000 0.977 299 Y HN 0.524 nan 8.280 nan 0.000 0.556 300 K N 0.839 120.894 120.400 -0.575 0.000 2.504 300 K HA -0.068 4.252 4.320 0.000 0.000 0.195 300 K C 0.216 176.719 176.600 -0.162 0.000 1.036 300 K CA 0.893 56.923 56.287 -0.428 0.000 0.984 300 K CB -0.174 31.984 32.500 -0.569 0.000 0.788 300 K HN 0.509 nan 8.250 nan 0.000 0.488 301 N N 0.651 119.295 118.700 -0.093 0.000 2.703 301 N HA 0.095 4.835 4.740 0.000 0.000 0.283 301 N C -2.180 173.411 175.510 0.135 0.000 1.851 301 N CA -1.363 51.691 53.050 0.007 0.000 0.826 301 N CB 0.942 39.425 38.487 -0.008 0.000 1.239 301 N HN -0.171 nan 8.380 nan 0.000 0.495 302 P HA -0.238 nan 4.420 nan 0.000 0.216 302 P C 1.154 178.610 177.300 0.261 0.000 1.150 302 P CA 1.202 64.517 63.100 0.358 0.000 0.843 302 P CB 0.448 32.275 31.700 0.213 0.000 0.787 303 K N 0.073 120.556 120.400 0.138 0.000 1.973 303 K HA -0.093 4.227 4.320 0.000 0.000 0.212 303 K C -0.506 176.152 176.600 0.096 0.000 1.047 303 K CA 2.078 58.420 56.287 0.091 0.000 0.937 303 K CB -1.380 31.154 32.500 0.057 0.000 0.721 303 K HN 0.118 nan 8.250 nan 0.000 0.440 304 P HA -0.141 nan 4.420 nan 0.000 0.218 304 P C 0.841 178.179 177.300 0.064 0.000 1.149 304 P CA 0.905 64.054 63.100 0.081 0.000 0.817 304 P CB -0.092 31.678 31.700 0.116 0.000 0.785 305 Y N 1.776 122.090 120.300 0.023 0.000 2.097 305 Y HA -0.225 4.325 4.550 0.000 0.000 0.282 305 Y C 1.921 177.841 175.900 0.034 0.000 1.152 305 Y CA 1.675 59.807 58.100 0.052 0.000 1.136 305 Y CB -0.826 37.730 38.460 0.159 0.000 0.975 305 Y HN -0.163 nan 8.280 nan 0.000 0.498 306 K N -0.627 119.800 120.400 0.045 0.000 2.147 306 K HA -0.179 4.141 4.320 0.000 0.000 0.205 306 K C 2.189 178.708 176.600 -0.134 0.000 1.049 306 K CA 1.744 58.001 56.287 -0.049 0.000 0.936 306 K CB -0.227 32.330 32.500 0.096 0.000 0.722 306 K HN 0.389 nan 8.250 nan 0.000 0.446 307 M N 0.194 119.686 119.600 -0.180 0.000 2.086 307 M HA -0.158 4.323 4.480 0.000 0.000 0.261 307 M C 2.424 178.320 176.300 -0.675 0.000 1.067 307 M CA 1.664 56.783 55.300 -0.302 0.000 1.116 307 M CB -0.322 32.063 32.600 -0.358 0.000 1.348 307 M HN 0.205 nan 8.290 nan 0.000 0.407 308 A N 0.353 122.659 122.820 -0.857 0.000 1.933 308 A HA -0.110 4.210 4.320 0.000 0.000 0.218 308 A C 2.040 179.475 177.584 -0.248 0.000 1.175 308 A CA 1.365 52.967 52.037 -0.726 0.000 0.628 308 A CB -0.864 17.925 19.000 -0.351 0.000 0.814 308 A HN 0.481 nan 8.150 nan 0.000 0.444 309 I N -0.586 119.848 120.570 -0.226 0.000 2.439 309 I HA -0.189 3.981 4.170 0.000 0.000 0.251 309 I C 2.870 178.962 176.117 -0.042 0.000 1.139 309 I CA 0.769 61.994 61.300 -0.125 0.000 1.438 309 I CB -0.266 37.586 38.000 -0.248 0.000 1.085 309 I HN 0.365 nan 8.210 nan 0.000 0.427 310 A N 0.908 123.700 122.820 -0.046 0.000 1.873 310 A HA -0.240 4.080 4.320 0.000 0.000 0.215 310 A C 2.220 179.878 177.584 0.122 0.000 1.186 310 A CA 1.256 53.287 52.037 -0.010 0.000 0.616 310 A CB -0.968 18.032 19.000 -0.001 0.000 0.823 310 A HN 0.408 nan 8.150 nan 0.000 0.442 311 F N 0.195 120.192 119.950 0.078 0.000 2.126 311 F HA -0.221 4.306 4.527 0.000 0.000 0.299 311 F C 2.358 178.238 175.800 0.133 0.000 1.096 311 F CA 2.244 60.306 58.000 0.103 0.000 1.255 311 F CB -0.169 38.729 39.000 -0.170 0.000 0.997 311 F HN 0.303 nan 8.300 nan 0.000 0.479 312 M N -0.163 119.613 119.600 0.293 0.000 2.086 312 M HA -0.214 4.266 4.480 0.000 0.000 0.261 312 M C 1.825 178.255 176.300 0.217 0.000 1.067 312 M CA 1.925 57.446 55.300 0.369 0.000 1.116 312 M CB -0.379 32.473 32.600 0.420 0.000 1.348 312 M HN 0.287 nan 8.290 nan 0.000 0.407 313 L N -0.168 121.116 121.223 0.102 0.000 2.313 313 L HA -0.003 4.337 4.340 0.000 0.000 0.214 313 L C 2.577 179.462 176.870 0.025 0.000 1.119 313 L CA 0.600 55.465 54.840 0.041 0.000 0.809 313 L CB -0.638 41.404 42.059 -0.029 0.000 0.933 313 L HN 0.403 nan 8.230 nan 0.000 0.449 314 A N -1.480 121.321 122.820 -0.031 0.000 1.984 314 A HA -0.084 4.236 4.320 0.000 0.000 0.214 314 A C 0.917 178.645 177.584 0.240 0.000 1.173 314 A CA 0.265 52.294 52.037 -0.012 0.000 0.673 314 A CB -0.437 18.437 19.000 -0.210 0.000 0.830 314 A HN 0.359 nan 8.150 nan 0.000 0.453 315 H N 0.282 119.376 119.070 0.039 0.000 2.652 315 H HA 0.260 4.816 4.556 0.000 0.000 0.349 315 H C -1.584 173.822 175.328 0.131 0.000 1.099 315 H CA -1.062 54.994 56.048 0.014 0.000 1.417 315 H CB 1.272 30.913 29.762 -0.202 0.000 1.457 315 H HN 0.052 nan 8.280 nan 0.000 0.568 316 P HA -0.117 nan 4.420 nan 0.000 0.241 316 P C -0.336 177.112 177.300 0.246 0.000 1.191 316 P CA 0.379 63.548 63.100 0.115 0.000 0.771 316 P CB -0.068 31.632 31.700 -0.000 0.000 0.929 317 Y N 2.769 123.304 120.300 0.390 0.000 2.677 317 Y HA 0.297 4.847 4.550 0.000 0.000 0.335 317 Y C 1.274 177.262 175.900 0.147 0.000 1.162 317 Y CA 1.299 59.572 58.100 0.288 0.000 1.483 317 Y CB -0.608 38.070 38.460 0.362 0.000 1.209 317 Y HN 0.288 nan 8.280 nan 0.000 0.528 318 G N 4.127 112.698 108.800 -0.382 0.000 2.939 318 G HA2 -0.240 3.720 3.960 0.000 0.000 0.278 318 G HA3 -0.240 3.720 3.960 0.000 0.000 0.278 318 G C -0.386 174.455 174.900 -0.098 0.000 1.487 318 G CA -0.339 44.576 45.100 -0.310 0.000 0.935 318 G HN 0.824 nan 8.290 nan 0.000 0.553 319 T N 1.358 115.853 114.554 -0.098 0.000 2.869 319 T HA 0.570 4.921 4.350 0.000 0.000 0.295 319 T C 1.011 175.688 174.700 -0.038 0.000 0.987 319 T CA 0.683 62.754 62.100 -0.049 0.000 1.109 319 T CB 0.821 69.628 68.868 -0.101 0.000 0.932 319 T HN 1.247 nan 8.240 nan 0.000 0.518 320 T N 2.111 116.674 114.554 0.015 0.000 2.837 320 T HA 0.600 4.950 4.350 0.000 0.000 0.285 320 T C -0.247 174.480 174.700 0.044 0.000 0.984 320 T CA -1.057 61.054 62.100 0.019 0.000 1.049 320 T CB 1.250 70.143 68.868 0.042 0.000 0.947 320 T HN 0.411 nan 8.240 nan 0.000 0.472 321 R N 2.448 122.990 120.500 0.070 0.000 2.621 321 R HA 0.586 4.926 4.340 0.000 0.000 0.292 321 R C -1.181 175.205 176.300 0.143 0.000 0.969 321 R CA -0.839 55.318 56.100 0.095 0.000 0.887 321 R CB 1.492 31.831 30.300 0.066 0.000 1.180 321 R HN 0.748 nan 8.270 nan 0.000 0.450 322 I N 4.178 124.833 120.570 0.143 0.000 2.378 322 I HA 0.243 4.414 4.170 0.000 0.000 0.291 322 I C 0.026 176.218 176.117 0.126 0.000 0.992 322 I CA -0.974 60.415 61.300 0.149 0.000 1.154 322 I CB 1.888 40.005 38.000 0.195 0.000 1.315 322 I HN 0.420 nan 8.210 nan 0.000 0.448 323 M N 5.763 125.446 119.600 0.138 0.000 2.200 323 M HA 0.192 4.672 4.480 0.000 0.000 0.355 323 M C -0.192 176.142 176.300 0.057 0.000 1.283 323 M CA 0.462 55.832 55.300 0.117 0.000 1.124 323 M CB 0.806 33.498 32.600 0.155 0.000 1.625 323 M HN 0.445 nan 8.290 nan 0.000 0.463 324 S N 3.608 119.312 115.700 0.007 0.000 2.622 324 S HA 0.587 5.058 4.470 0.000 0.000 0.283 324 S C -0.841 173.841 174.600 0.136 0.000 1.197 324 S CA -0.646 57.563 58.200 0.014 0.000 1.146 324 S CB 0.077 63.168 63.200 -0.182 0.000 1.007 324 S HN 0.829 nan 8.310 nan 0.000 0.478 325 S N 3.569 119.336 115.700 0.111 0.000 2.652 325 S HA 0.668 5.139 4.470 0.000 0.000 0.270 325 S C -0.325 174.384 174.600 0.182 0.000 1.243 325 S CA -0.688 57.593 58.200 0.135 0.000 0.999 325 S CB 0.378 63.576 63.200 -0.005 0.000 0.973 325 S HN 0.673 nan 8.310 nan 0.000 0.544 326 F N -0.700 119.358 119.950 0.180 0.000 2.480 326 F HA 0.661 5.188 4.527 0.000 0.000 0.329 326 F C -0.233 175.613 175.800 0.077 0.000 1.091 326 F CA -1.698 56.275 58.000 -0.044 0.000 0.972 326 F CB 0.155 38.955 39.000 -0.333 0.000 1.150 326 F HN 0.388 nan 8.300 nan 0.000 0.467 327 D N 2.950 123.458 120.400 0.179 0.000 2.443 327 D HA 0.334 4.974 4.640 0.000 0.000 0.239 327 D C -0.850 175.694 176.300 0.407 0.000 1.136 327 D CA 0.593 54.716 54.000 0.205 0.000 0.879 327 D CB 0.318 41.190 40.800 0.119 0.000 1.195 327 D HN 0.545 nan 8.370 nan 0.000 0.443 328 F N -0.780 119.316 119.950 0.243 0.000 2.654 328 F HA 0.456 4.983 4.527 0.000 0.000 0.308 328 F C 0.264 176.159 175.800 0.159 0.000 1.108 328 F CA -0.729 57.401 58.000 0.217 0.000 0.957 328 F CB 1.030 40.143 39.000 0.188 0.000 1.309 328 F HN 0.153 nan 8.300 nan 0.000 0.446 329 T N -2.217 112.448 114.554 0.186 0.000 2.959 329 T HA 0.233 4.583 4.350 0.000 0.000 0.254 329 T C -0.514 174.331 174.700 0.241 0.000 1.003 329 T CA 0.502 62.651 62.100 0.082 0.000 0.950 329 T CB 0.068 68.980 68.868 0.073 0.000 1.090 329 T HN 0.675 nan 8.240 nan 0.000 0.503 330 D N 0.383 121.026 120.400 0.405 0.000 2.498 330 D HA 0.390 5.030 4.640 0.000 0.000 0.247 330 D C 0.372 176.947 176.300 0.458 0.000 1.070 330 D CA -0.699 53.520 54.000 0.365 0.000 0.842 330 D CB 1.337 42.298 40.800 0.269 0.000 1.361 330 D HN -0.048 nan 8.370 nan 0.000 0.484 331 N N 1.485 120.409 118.700 0.374 0.000 2.520 331 N HA -0.087 4.654 4.740 0.000 0.000 0.185 331 N C 0.171 176.013 175.510 0.553 0.000 1.068 331 N CA 0.455 53.716 53.050 0.351 0.000 0.911 331 N CB 0.304 38.967 38.487 0.294 0.000 0.961 331 N HN 0.444 nan 8.380 nan 0.000 0.446 332 D N 0.317 121.012 120.400 0.492 0.000 2.389 332 D HA -0.048 4.592 4.640 0.000 0.000 0.206 332 D C 0.319 176.893 176.300 0.455 0.000 1.055 332 D CA 0.124 54.453 54.000 0.549 0.000 0.856 332 D CB 0.226 41.299 40.800 0.454 0.000 0.957 332 D HN 0.279 nan 8.370 nan 0.000 0.509 333 Q N 1.274 121.336 119.800 0.436 0.000 2.269 333 Q HA 0.204 4.544 4.340 0.000 0.000 0.300 333 Q C 0.358 176.624 176.000 0.444 0.000 1.070 333 Q CA 0.010 56.033 55.803 0.366 0.000 0.957 333 Q CB 0.663 29.642 28.738 0.403 0.000 1.131 333 Q HN 0.057 nan 8.270 nan 0.000 0.377 334 G N 4.694 113.606 108.800 0.185 0.000 2.557 334 G HA2 0.412 4.372 3.960 0.000 0.000 0.292 334 G HA3 0.412 4.372 3.960 0.000 0.000 0.292 334 G C -2.423 172.215 174.900 -0.435 0.000 1.237 334 G CA -1.093 44.029 45.100 0.037 0.000 0.978 334 G HN 0.626 nan 8.290 nan 0.000 0.498 335 P HA 0.164 nan 4.420 nan 0.000 0.271 335 P C -2.684 174.192 177.300 -0.706 0.000 1.233 335 P CA -0.996 61.239 63.100 -1.442 0.000 0.789 335 P CB -0.081 31.062 31.700 -0.928 0.000 0.951 336 P HA 0.009 nan 4.420 nan 0.000 0.258 336 P C -0.257 176.917 177.300 -0.209 0.000 1.187 336 P CA 0.898 63.792 63.100 -0.344 0.000 0.767 336 P CB -0.106 31.386 31.700 -0.347 0.000 0.770 337 Q N 2.093 121.798 119.800 -0.157 0.000 2.615 337 Q HA 0.620 4.960 4.340 0.000 0.000 0.298 337 Q C -1.254 174.698 176.000 -0.081 0.000 1.023 337 Q CA -1.038 54.697 55.803 -0.113 0.000 0.768 337 Q CB 1.596 30.264 28.738 -0.118 0.000 1.500 337 Q HN 0.268 nan 8.270 nan 0.000 0.441 338 D N -0.621 119.740 120.400 -0.066 0.000 2.494 338 D HA 0.311 4.951 4.640 0.000 0.000 0.259 338 D C 0.991 177.264 176.300 -0.046 0.000 1.109 338 D CA -0.194 53.776 54.000 -0.050 0.000 1.040 338 D CB 0.472 41.246 40.800 -0.043 0.000 1.175 338 D HN 0.689 nan 8.370 nan 0.000 0.584 339 G N -0.883 107.895 108.800 -0.036 0.000 2.485 339 G HA2 -0.258 3.702 3.960 0.000 0.000 0.221 339 G HA3 -0.258 3.702 3.960 0.000 0.000 0.221 339 G C 1.149 176.030 174.900 -0.033 0.000 1.115 339 G CA 1.320 46.401 45.100 -0.031 0.000 0.751 339 G HN 0.589 nan 8.290 nan 0.000 0.567 340 S N -0.678 115.001 115.700 -0.035 0.000 2.631 340 S HA 0.395 4.865 4.470 0.000 0.000 0.217 340 S C 1.763 176.338 174.600 -0.042 0.000 0.958 340 S CA 0.822 59.001 58.200 -0.035 0.000 0.920 340 S CB 0.076 63.256 63.200 -0.032 0.000 0.776 340 S HN 1.512 nan 8.310 nan 0.000 0.517 341 G N 1.215 109.986 108.800 -0.049 0.000 2.159 341 G HA2 -0.279 3.682 3.960 0.000 0.000 0.256 341 G HA3 -0.279 3.682 3.960 0.000 0.000 0.256 341 G C -0.215 174.649 174.900 -0.061 0.000 0.977 341 G CA -0.070 44.997 45.100 -0.056 0.000 0.652 341 G HN 0.619 nan 8.290 nan 0.000 0.531 342 N N -0.047 118.617 118.700 -0.060 0.000 2.530 342 N HA 0.537 5.277 4.740 0.000 0.000 0.273 342 N C 0.541 176.004 175.510 -0.078 0.000 1.173 342 N CA -0.333 52.678 53.050 -0.066 0.000 0.967 342 N CB 0.861 39.313 38.487 -0.058 0.000 1.109 342 N HN 0.277 nan 8.380 nan 0.000 0.453 343 L N 2.348 123.517 121.223 -0.090 0.000 2.397 343 L HA 0.263 4.603 4.340 0.000 0.000 0.271 343 L C -0.089 176.728 176.870 -0.090 0.000 1.148 343 L CA -0.469 54.311 54.840 -0.101 0.000 0.825 343 L CB 0.526 42.515 42.059 -0.116 0.000 1.117 343 L HN 0.393 nan 8.230 nan 0.000 0.456 344 I N 2.158 122.687 120.570 -0.068 0.000 2.304 344 I HA 0.141 4.311 4.170 0.000 0.000 0.291 344 I C 0.417 176.506 176.117 -0.047 0.000 1.018 344 I CA -0.064 61.208 61.300 -0.046 0.000 1.260 344 I CB 1.035 39.020 38.000 -0.026 0.000 1.390 344 I HN 0.549 nan 8.210 nan 0.000 0.475 345 S N 9.082 124.687 115.700 -0.158 0.000 2.562 345 S HA 0.201 4.671 4.470 0.000 0.000 0.281 345 S C -2.043 172.318 174.600 -0.398 0.000 1.333 345 S CA -0.654 57.337 58.200 -0.347 0.000 1.052 345 S CB 0.183 63.224 63.200 -0.266 0.000 0.884 345 S HN 0.473 nan 8.310 nan 0.000 0.506 346 P HA 0.270 nan 4.420 nan 0.000 0.274 346 P C -0.274 176.835 177.300 -0.319 0.000 1.237 346 P CA -0.378 62.356 63.100 -0.610 0.000 0.793 346 P CB 0.516 31.529 31.700 -1.144 0.000 0.977 347 G N 1.879 110.596 108.800 -0.138 0.000 2.415 347 G HA2 0.519 4.479 3.960 0.000 0.000 0.327 347 G HA3 0.519 4.479 3.960 0.000 0.000 0.327 347 G C -0.712 174.156 174.900 -0.055 0.000 1.182 347 G CA -0.492 44.556 45.100 -0.086 0.000 0.924 347 G HN 0.316 nan 8.290 nan 0.000 0.470 348 I N 2.788 123.331 120.570 -0.045 0.000 2.291 348 I HA 0.173 4.343 4.170 0.000 0.000 0.290 348 I C 0.459 176.571 176.117 -0.009 0.000 1.050 348 I CA -0.932 60.352 61.300 -0.027 0.000 1.245 348 I CB 0.117 38.104 38.000 -0.022 0.000 1.405 348 I HN 0.636 nan 8.210 nan 0.000 0.478 349 N N 5.193 123.894 118.700 0.002 0.000 2.477 349 N HA 0.197 4.937 4.740 0.000 0.000 0.284 349 N C 0.508 176.029 175.510 0.018 0.000 1.182 349 N CA -0.585 52.471 53.050 0.010 0.000 0.949 349 N CB 1.645 40.140 38.487 0.015 0.000 1.204 349 N HN 0.540 nan 8.380 nan 0.000 0.526 350 D N 1.411 121.822 120.400 0.019 0.000 3.134 350 D HA -0.367 4.273 4.640 0.000 0.000 0.482 350 D C 0.419 176.740 176.300 0.034 0.000 1.049 350 D CA 2.405 56.419 54.000 0.024 0.000 1.379 350 D CB -1.309 39.504 40.800 0.022 0.000 0.865 350 D HN 0.813 nan 8.370 nan 0.000 0.499 351 D N 1.483 121.906 120.400 0.038 0.000 2.490 351 D HA -0.075 4.565 4.640 0.000 0.000 0.255 351 D C 0.599 176.938 176.300 0.065 0.000 1.248 351 D CA 0.584 54.616 54.000 0.053 0.000 0.887 351 D CB -1.703 39.125 40.800 0.048 0.000 0.978 351 D HN 0.765 nan 8.370 nan 0.000 0.491 352 N N -1.162 117.566 118.700 0.048 0.000 2.661 352 N HA -0.286 4.454 4.740 0.000 0.000 0.249 352 N C -0.532 174.968 175.510 -0.017 0.000 1.142 352 N CA 1.106 54.168 53.050 0.020 0.000 0.727 352 N CB -2.449 36.071 38.487 0.055 0.000 1.099 352 N HN 0.463 nan 8.380 nan 0.000 0.558 353 T N -2.469 112.099 114.554 0.023 0.000 2.862 353 T HA 0.622 4.972 4.350 0.000 0.000 0.276 353 T C 0.586 175.306 174.700 0.032 0.000 0.974 353 T CA -0.478 61.649 62.100 0.046 0.000 0.966 353 T CB 1.798 70.715 68.868 0.081 0.000 1.072 353 T HN 0.288 nan 8.240 nan 0.000 0.538 354 c N 1.869 120.513 118.600 0.072 0.000 2.365 354 c HA 0.846 5.416 4.570 0.000 0.000 0.349 354 c C 1.101 175.242 174.090 0.086 0.000 1.191 354 c CA -0.616 55.757 56.329 0.072 0.000 2.114 354 c CB 0.958 43.545 42.510 0.128 0.000 2.367 354 c HN 1.138 nan 8.230 nan 0.000 0.530 355 S N 1.052 116.790 115.700 0.065 0.000 2.798 355 S HA 0.586 5.056 4.470 0.000 0.000 0.312 355 S C -0.012 174.645 174.600 0.096 0.000 1.122 355 S CA -0.421 57.817 58.200 0.062 0.000 0.949 355 S CB 0.697 63.914 63.200 0.029 0.000 1.235 355 S HN 0.794 nan 8.310 nan 0.000 0.552 356 N N -0.321 118.416 118.700 0.061 0.000 2.909 356 N HA -0.149 4.591 4.740 0.000 0.000 0.242 356 N C 0.820 176.332 175.510 0.003 0.000 0.975 356 N CA 1.831 54.913 53.050 0.054 0.000 0.921 356 N CB -1.686 36.857 38.487 0.093 0.000 1.112 356 N HN 1.796 nan 8.380 nan 0.000 0.581 357 G N -2.171 106.634 108.800 0.009 0.000 2.179 357 G HA2 -0.316 3.644 3.960 0.000 0.000 0.220 357 G HA3 -0.316 3.644 3.960 0.000 0.000 0.220 357 G C -0.243 174.572 174.900 -0.141 0.000 0.990 357 G CA 0.117 45.168 45.100 -0.082 0.000 0.646 357 G HN 0.379 nan 8.290 nan 0.000 0.517 358 Y N 0.364 120.698 120.300 0.057 0.000 2.336 358 Y HA 0.431 4.981 4.550 0.000 0.000 0.335 358 Y C 1.793 177.757 175.900 0.106 0.000 1.046 358 Y CA 0.002 58.173 58.100 0.117 0.000 1.198 358 Y CB 1.670 40.173 38.460 0.071 0.000 1.182 358 Y HN -0.065 nan 8.280 nan 0.000 0.502 359 V N 1.160 121.165 119.914 0.151 0.000 2.626 359 V HA -0.262 3.858 4.120 0.000 0.000 0.252 359 V C 1.131 177.336 176.094 0.184 0.000 1.067 359 V CA 0.728 63.056 62.300 0.047 0.000 1.081 359 V CB -0.796 30.803 31.823 -0.373 0.000 0.686 359 V HN 1.124 nan 8.190 nan 0.000 0.468 360 c N 1.018 119.763 118.600 0.241 0.000 3.899 360 c HA -0.186 4.384 4.570 0.000 0.000 0.297 360 c C 1.739 175.831 174.090 0.003 0.000 1.371 360 c CA 0.634 57.112 56.329 0.248 0.000 2.088 360 c CB -2.518 40.114 42.510 0.205 0.000 1.346 360 c HN 0.678 nan 8.230 nan 0.000 0.658 361 E N 0.395 120.425 120.200 -0.284 0.000 2.160 361 E HA -0.203 4.147 4.350 0.000 0.000 0.195 361 E C 1.960 178.352 176.600 -0.347 0.000 0.991 361 E CA 1.716 57.511 56.400 -1.009 0.000 0.810 361 E CB -0.154 29.065 29.700 -0.801 0.000 0.742 361 E HN 0.970 nan 8.360 nan 0.000 0.466 362 H N -0.075 118.921 119.070 -0.123 0.000 2.521 362 H HA 0.063 4.619 4.556 0.000 0.000 0.286 362 H C 1.223 176.759 175.328 0.348 0.000 1.034 362 H CA 0.960 57.081 56.048 0.122 0.000 1.278 362 H CB -0.070 29.674 29.762 -0.031 0.000 1.386 362 H HN 0.074 nan 8.280 nan 0.000 0.567 363 R N -0.511 119.880 120.500 -0.182 0.000 2.334 363 R HA 0.062 4.402 4.340 0.000 0.000 0.216 363 R C -0.324 176.298 176.300 0.538 0.000 0.905 363 R CA -0.477 55.617 56.100 -0.011 0.000 1.064 363 R CB 0.215 30.210 30.300 -0.507 0.000 1.046 363 R HN 0.100 nan 8.270 nan 0.000 0.508 364 W N 1.278 122.705 121.300 0.211 0.000 2.190 364 W HA 0.169 4.829 4.660 0.000 0.000 0.330 364 W C 1.592 178.074 176.519 -0.062 0.000 1.299 364 W CA -1.098 56.314 57.345 0.112 0.000 1.215 364 W CB 0.179 29.694 29.460 0.090 0.000 1.147 364 W HN 0.020 nan 8.180 nan 0.000 0.563 365 R N 1.122 121.601 120.500 -0.034 0.000 2.083 365 R HA -0.255 4.085 4.340 0.000 0.000 0.237 365 R C 1.755 177.790 176.300 -0.442 0.000 1.137 365 R CA 2.164 57.960 56.100 -0.505 0.000 0.951 365 R CB 0.002 30.183 30.300 -0.199 0.000 0.851 365 R HN 0.482 nan 8.270 nan 0.000 0.434 366 Q N -0.603 119.117 119.800 -0.133 0.000 2.364 366 Q HA -0.077 4.263 4.340 0.000 0.000 0.209 366 Q C 1.797 177.778 176.000 -0.032 0.000 0.977 366 Q CA 1.065 56.825 55.803 -0.072 0.000 0.885 366 Q CB 0.217 28.953 28.738 -0.004 0.000 0.941 366 Q HN 0.205 nan 8.270 nan 0.000 0.464 367 V N -0.685 119.256 119.914 0.045 0.000 2.436 367 V HA -0.147 3.973 4.120 0.000 0.000 0.240 367 V C 1.686 177.875 176.094 0.159 0.000 1.040 367 V CA 1.308 63.682 62.300 0.125 0.000 1.052 367 V CB -0.615 31.348 31.823 0.234 0.000 0.707 367 V HN 0.455 nan 8.190 nan 0.000 0.469 368 Y N 1.512 121.985 120.300 0.288 0.000 2.509 368 Y HA 0.276 4.826 4.550 0.000 0.000 0.293 368 Y C 2.145 178.081 175.900 0.061 0.000 1.133 368 Y CA 0.734 58.969 58.100 0.224 0.000 1.283 368 Y CB -1.388 37.335 38.460 0.438 0.000 1.001 368 Y HN 0.071 nan 8.280 nan 0.000 0.555 369 G N 1.195 109.943 108.800 -0.086 0.000 2.414 369 G HA2 -0.176 3.785 3.960 0.000 0.000 0.215 369 G HA3 -0.176 3.785 3.960 0.000 0.000 0.215 369 G C 1.493 176.412 174.900 0.032 0.000 1.188 369 G CA 1.097 46.196 45.100 -0.002 0.000 0.783 369 G HN 0.309 nan 8.290 nan 0.000 0.537 370 M N 0.591 120.167 119.600 -0.040 0.000 2.476 370 M HA 0.087 4.567 4.480 0.000 0.000 0.262 370 M C 2.509 178.766 176.300 -0.072 0.000 1.079 370 M CA 0.405 55.653 55.300 -0.087 0.000 1.104 370 M CB -0.364 32.134 32.600 -0.169 0.000 1.409 370 M HN 0.113 nan 8.290 nan 0.000 0.467 371 V N -0.108 119.734 119.914 -0.120 0.000 2.591 371 V HA -0.084 4.037 4.120 0.000 0.000 0.249 371 V C 2.496 178.459 176.094 -0.220 0.000 1.053 371 V CA 1.838 63.975 62.300 -0.272 0.000 1.068 371 V CB -0.993 30.423 31.823 -0.679 0.000 0.689 371 V HN 0.512 nan 8.190 nan 0.000 0.462 372 G N -0.890 107.835 108.800 -0.124 0.000 2.394 372 G HA2 -0.269 3.691 3.960 0.000 0.000 0.215 372 G HA3 -0.269 3.691 3.960 0.000 0.000 0.215 372 G C 1.520 176.255 174.900 -0.273 0.000 1.165 372 G CA 0.777 45.812 45.100 -0.109 0.000 0.784 372 G HN 0.470 nan 8.290 nan 0.000 0.535 373 F N 1.546 121.196 119.950 -0.501 0.000 2.102 373 F HA 0.019 4.546 4.527 0.000 0.000 0.298 373 F C 2.580 178.167 175.800 -0.356 0.000 1.105 373 F CA 1.668 59.264 58.000 -0.673 0.000 1.239 373 F CB -0.212 38.581 39.000 -0.345 0.000 0.991 373 F HN 0.078 nan 8.300 nan 0.000 0.474 374 R N 0.210 120.818 120.500 0.180 0.000 2.152 374 R HA -0.160 4.180 4.340 0.000 0.000 0.232 374 R C 1.913 178.189 176.300 -0.040 0.000 1.117 374 R CA 1.440 57.610 56.100 0.118 0.000 0.981 374 R CB -0.343 29.986 30.300 0.048 0.000 0.870 374 R HN 0.292 nan 8.270 nan 0.000 0.451 375 N N 0.293 118.924 118.700 -0.115 0.000 2.250 375 N HA -0.071 4.669 4.740 0.000 0.000 0.181 375 N C 1.484 176.922 175.510 -0.120 0.000 1.017 375 N CA 1.316 54.295 53.050 -0.118 0.000 0.866 375 N CB -0.144 38.266 38.487 -0.129 0.000 0.985 375 N HN 0.258 nan 8.380 nan 0.000 0.429 376 A N 0.669 123.374 122.820 -0.192 0.000 1.898 376 A HA -0.078 4.242 4.320 0.000 0.000 0.216 376 A C 1.998 179.481 177.584 -0.169 0.000 1.181 376 A CA 1.611 53.551 52.037 -0.163 0.000 0.620 376 A CB -0.676 18.221 19.000 -0.171 0.000 0.819 376 A HN 0.196 nan 8.150 nan 0.000 0.442 377 V N -1.229 118.533 119.914 -0.254 0.000 3.636 377 V HA 0.160 4.280 4.120 0.000 0.000 0.279 377 V C 0.485 176.540 176.094 -0.066 0.000 1.263 377 V CA 0.330 62.520 62.300 -0.184 0.000 1.182 377 V CB -1.383 30.284 31.823 -0.259 0.000 0.955 377 V HN 0.511 nan 8.190 nan 0.000 0.443 378 E N 1.456 121.623 120.200 -0.055 0.000 2.465 378 E HA 0.350 4.700 4.350 0.000 0.000 0.260 378 E C 1.288 177.882 176.600 -0.011 0.000 0.980 378 E CA 0.931 57.318 56.400 -0.022 0.000 0.927 378 E CB 0.038 29.723 29.700 -0.025 0.000 0.934 378 E HN 0.858 nan 8.360 nan 0.000 0.459 379 G N 3.141 111.941 108.800 0.001 0.000 2.160 379 G HA2 -0.251 3.709 3.960 0.000 0.000 0.244 379 G HA3 -0.251 3.709 3.960 0.000 0.000 0.244 379 G C 0.085 174.990 174.900 0.008 0.000 1.022 379 G CA 0.437 45.540 45.100 0.004 0.000 0.741 379 G HN 0.760 nan 8.290 nan 0.000 0.508 380 T N -2.680 111.883 114.554 0.015 0.000 2.930 380 T HA 0.759 5.109 4.350 0.000 0.000 0.290 380 T C -0.096 174.623 174.700 0.032 0.000 1.052 380 T CA 0.015 62.130 62.100 0.025 0.000 1.017 380 T CB 2.229 71.114 68.868 0.028 0.000 1.137 380 T HN 0.909 nan 8.240 nan 0.000 0.511 381 Q N 0.253 120.077 119.800 0.039 0.000 2.195 381 Q HA 0.723 5.064 4.340 0.000 0.000 0.250 381 Q C -0.997 175.038 176.000 0.058 0.000 0.988 381 Q CA -1.178 54.641 55.803 0.026 0.000 0.911 381 Q CB 1.259 30.011 28.738 0.023 0.000 1.258 381 Q HN 0.469 nan 8.270 nan 0.000 0.475 382 V N 1.702 121.621 119.914 0.009 0.000 2.508 382 V HA 0.161 4.281 4.120 0.000 0.000 0.281 382 V C -0.199 175.983 176.094 0.147 0.000 1.041 382 V CA 0.350 62.682 62.300 0.055 0.000 1.016 382 V CB 0.485 32.162 31.823 -0.243 0.000 0.984 382 V HN 0.756 nan 8.190 nan 0.000 0.478 383 E N 2.980 123.346 120.200 0.276 0.000 2.431 383 E HA 0.428 4.778 4.350 0.000 0.000 0.268 383 E C -0.107 176.715 176.600 0.370 0.000 0.953 383 E CA -1.110 55.448 56.400 0.264 0.000 0.810 383 E CB 1.187 31.001 29.700 0.190 0.000 1.369 383 E HN 0.674 nan 8.360 nan 0.000 0.440 384 N N 0.637 119.525 118.700 0.314 0.000 2.716 384 N HA -0.209 4.531 4.740 0.000 0.000 0.250 384 N C -1.136 174.644 175.510 0.449 0.000 1.033 384 N CA 0.491 53.741 53.050 0.335 0.000 0.727 384 N CB -0.595 38.062 38.487 0.283 0.000 0.950 384 N HN 0.419 nan 8.380 nan 0.000 0.541 385 W N 0.662 122.149 121.300 0.312 0.000 2.223 385 W HA 0.290 4.950 4.660 0.000 0.000 0.334 385 W C 0.006 176.751 176.519 0.378 0.000 1.334 385 W CA -0.086 57.467 57.345 0.346 0.000 1.246 385 W CB 0.249 29.829 29.460 0.200 0.000 1.184 385 W HN 0.328 nan 8.180 nan 0.000 0.563 386 W N 6.483 127.528 121.300 -0.426 0.000 3.107 386 W HA 0.446 5.106 4.660 0.000 0.000 0.331 386 W C -1.410 174.864 176.519 -0.408 0.000 1.204 386 W CA -0.513 56.702 57.345 -0.216 0.000 1.184 386 W CB 1.393 30.827 29.460 -0.043 0.000 1.421 386 W HN 0.411 nan 8.180 nan 0.000 0.544 387 S N 3.026 117.919 115.700 -1.345 0.000 2.552 387 S HA 0.238 4.708 4.470 0.000 0.000 0.272 387 S C -0.539 173.171 174.600 -1.483 0.000 1.150 387 S CA -0.568 56.917 58.200 -1.191 0.000 0.849 387 S CB 1.060 64.042 63.200 -0.362 0.000 1.113 387 S HN 0.747 nan 8.310 nan 0.000 0.458 388 N N 1.288 119.352 118.700 -1.059 0.000 2.314 388 N HA 0.134 4.874 4.740 0.000 0.000 0.200 388 N C -0.608 174.748 175.510 -0.257 0.000 1.135 388 N CA 0.348 53.076 53.050 -0.536 0.000 0.835 388 N CB -0.610 37.766 38.487 -0.186 0.000 0.989 388 N HN 0.667 nan 8.380 nan 0.000 0.478 389 D N -0.515 119.734 120.400 -0.250 0.000 2.835 389 D HA -0.169 4.471 4.640 0.000 0.000 0.230 389 D C -0.420 175.832 176.300 -0.079 0.000 1.130 389 D CA 1.419 55.349 54.000 -0.117 0.000 0.738 389 D CB -1.078 39.675 40.800 -0.079 0.000 1.090 389 D HN 0.635 nan 8.370 nan 0.000 0.433 390 D N -1.389 118.958 120.400 -0.089 0.000 4.199 390 D HA 0.072 4.712 4.640 0.000 0.000 0.160 390 D C -0.222 176.043 176.300 -0.057 0.000 1.723 390 D CA -0.291 53.675 54.000 -0.057 0.000 1.124 390 D CB -0.368 40.409 40.800 -0.039 0.000 2.455 390 D HN -0.088 nan 8.370 nan 0.000 0.420 391 N N 0.377 119.054 118.700 -0.039 0.000 2.320 391 N HA 0.226 4.966 4.740 0.000 0.000 0.237 391 N C -0.914 174.603 175.510 0.012 0.000 1.129 391 N CA 0.245 53.277 53.050 -0.030 0.000 0.854 391 N CB 0.890 39.369 38.487 -0.014 0.000 1.083 391 N HN 0.299 nan 8.380 nan 0.000 0.504 392 Q N 0.858 120.658 119.800 0.000 0.000 2.285 392 Q HA 0.567 4.907 4.340 0.000 0.000 0.269 392 Q C -0.551 175.447 176.000 -0.004 0.000 1.030 392 Q CA -0.527 55.331 55.803 0.091 0.000 0.788 392 Q CB 2.707 31.565 28.738 0.199 0.000 1.266 392 Q HN 0.259 nan 8.270 nan 0.000 0.438 393 I N -1.568 119.068 120.570 0.110 0.000 3.095 393 I HA 1.033 5.203 4.170 0.000 0.000 0.310 393 I C -1.492 174.711 176.117 0.143 0.000 1.196 393 I CA -1.119 60.149 61.300 -0.052 0.000 0.985 393 I CB 2.406 40.288 38.000 -0.197 0.000 1.250 393 I HN 0.628 nan 8.210 nan 0.000 0.446 394 A N 2.577 125.367 122.820 -0.049 0.000 2.597 394 A HA 0.881 5.201 4.320 0.000 0.000 0.292 394 A C -1.427 176.138 177.584 -0.032 0.000 1.057 394 A CA -0.467 51.529 52.037 -0.068 0.000 0.674 394 A CB 1.412 20.438 19.000 0.043 0.000 1.278 394 A HN 1.554 nan 8.150 nan 0.000 0.416 395 F N -0.954 118.901 119.950 -0.158 0.000 2.842 395 F HA 0.801 5.328 4.527 0.000 0.000 0.319 395 F C -0.380 175.492 175.800 0.121 0.000 1.159 395 F CA -0.148 57.910 58.000 0.097 0.000 0.902 395 F CB 0.696 39.849 39.000 0.254 0.000 1.311 395 F HN 1.210 nan 8.300 nan 0.000 0.453 396 S N 1.089 117.061 115.700 0.453 0.000 2.689 396 S HA 0.761 5.231 4.470 0.000 0.000 0.306 396 S C -1.026 173.828 174.600 0.423 0.000 1.104 396 S CA -1.002 57.403 58.200 0.341 0.000 0.973 396 S CB 2.108 65.506 63.200 0.330 0.000 1.121 396 S HN 0.798 nan 8.310 nan 0.000 0.523 397 R N 1.299 121.963 120.500 0.274 0.000 2.332 397 R HA 0.516 4.856 4.340 0.000 0.000 0.306 397 R C 1.173 177.538 176.300 0.107 0.000 1.117 397 R CA 0.578 56.814 56.100 0.227 0.000 1.108 397 R CB -0.064 30.357 30.300 0.202 0.000 1.126 397 R HN 1.240 nan 8.270 nan 0.000 0.548 398 G N 1.930 110.800 108.800 0.117 0.000 2.556 398 G HA2 -0.374 3.586 3.960 0.000 0.000 0.283 398 G HA3 -0.374 3.586 3.960 0.000 0.000 0.283 398 G C 0.146 175.083 174.900 0.062 0.000 1.177 398 G CA 0.498 45.641 45.100 0.072 0.000 0.978 398 G HN 0.586 nan 8.290 nan 0.000 0.554 399 S N -1.064 114.653 115.700 0.028 0.000 2.843 399 S HA 0.520 4.990 4.470 0.000 0.000 0.249 399 S C 0.840 175.434 174.600 -0.010 0.000 1.047 399 S CA 0.721 58.929 58.200 0.013 0.000 1.042 399 S CB 1.292 64.501 63.200 0.015 0.000 0.936 399 S HN 0.648 nan 8.310 nan 0.000 0.531 400 Q N 0.932 120.712 119.800 -0.033 0.000 2.217 400 Q HA 0.504 4.844 4.340 0.000 0.000 0.217 400 Q C 0.603 176.506 176.000 -0.161 0.000 0.844 400 Q CA 0.344 56.106 55.803 -0.069 0.000 0.957 400 Q CB 1.535 30.228 28.738 -0.076 0.000 1.127 400 Q HN 0.685 nan 8.270 nan 0.000 0.503 401 G N -0.081 108.611 108.800 -0.180 0.000 2.655 401 G HA2 0.429 4.389 3.960 0.000 0.000 0.296 401 G HA3 0.429 4.389 3.960 0.000 0.000 0.296 401 G C -2.214 172.698 174.900 0.021 0.000 1.485 401 G CA -0.639 44.285 45.100 -0.292 0.000 0.869 401 G HN 0.015 nan 8.290 nan 0.000 0.540 402 F N 1.407 121.334 119.950 -0.039 0.000 2.593 402 F HA 0.872 5.399 4.527 0.000 0.000 0.320 402 F C -1.004 174.789 175.800 -0.013 0.000 1.060 402 F CA -1.198 56.770 58.000 -0.053 0.000 0.940 402 F CB 2.500 41.406 39.000 -0.156 0.000 1.268 402 F HN 0.601 nan 8.300 nan 0.000 0.475 403 V N 3.648 122.849 119.914 -1.189 0.000 2.817 403 V HA 0.845 4.965 4.120 0.000 0.000 0.303 403 V C -1.607 173.724 176.094 -1.271 0.000 1.151 403 V CA -0.089 61.584 62.300 -1.045 0.000 0.929 403 V CB 1.552 32.828 31.823 -0.912 0.000 1.030 403 V HN 1.253 nan 8.190 nan 0.000 0.427 404 A N 5.726 127.964 122.820 -0.970 0.000 2.380 404 A HA 1.026 5.346 4.320 0.000 0.000 0.315 404 A C -1.580 175.618 177.584 -0.643 0.000 1.101 404 A CA -0.498 51.181 52.037 -0.597 0.000 0.771 404 A CB 1.568 20.394 19.000 -0.290 0.000 1.287 404 A HN 0.810 nan 8.150 nan 0.000 0.436 405 F N -0.467 119.458 119.950 -0.041 0.000 2.601 405 F HA 0.681 5.208 4.527 0.000 0.000 0.309 405 F C 0.261 176.104 175.800 0.072 0.000 1.089 405 F CA -0.320 57.703 58.000 0.039 0.000 0.940 405 F CB 2.875 41.954 39.000 0.132 0.000 1.273 405 F HN 0.499 nan 8.300 nan 0.000 0.450 406 T N 0.929 115.639 114.554 0.260 0.000 2.937 406 T HA 0.328 4.678 4.350 0.000 0.000 0.297 406 T C -0.916 173.881 174.700 0.162 0.000 0.991 406 T CA -0.422 61.786 62.100 0.180 0.000 0.990 406 T CB 0.652 69.593 68.868 0.123 0.000 0.991 406 T HN 0.627 nan 8.240 nan 0.000 0.440 407 N N 3.060 121.835 118.700 0.126 0.000 2.351 407 N HA 0.456 5.196 4.740 0.000 0.000 0.254 407 N C -0.279 175.264 175.510 0.055 0.000 1.241 407 N CA 0.017 53.127 53.050 0.099 0.000 0.883 407 N CB 0.770 39.306 38.487 0.080 0.000 1.202 407 N HN 0.936 nan 8.380 nan 0.000 0.512 408 G N -0.726 108.109 108.800 0.058 0.000 1.824 408 G HA2 0.497 4.457 3.960 0.000 0.000 0.294 408 G HA3 0.497 4.457 3.960 0.000 0.000 0.294 408 G C -0.206 174.724 174.900 0.051 0.000 1.796 408 G CA -0.005 45.120 45.100 0.042 0.000 0.919 408 G HN 0.458 nan 8.290 nan 0.000 0.595 409 G N 1.389 110.217 108.800 0.047 0.000 2.746 409 G HA2 0.122 4.082 3.960 0.000 0.000 0.685 409 G HA3 0.122 4.082 3.960 0.000 0.000 0.685 409 G C -0.692 174.242 174.900 0.057 0.000 1.350 409 G CA -0.330 44.800 45.100 0.050 0.000 0.837 409 G HN 0.776 nan 8.290 nan 0.000 0.564 410 D N -0.206 120.225 120.400 0.052 0.000 2.210 410 D HA 0.413 5.053 4.640 0.000 0.000 0.249 410 D C 0.126 176.462 176.300 0.061 0.000 1.062 410 D CA -0.233 53.795 54.000 0.047 0.000 0.891 410 D CB 2.241 43.061 40.800 0.032 0.000 1.186 410 D HN 0.374 nan 8.370 nan 0.000 0.432 411 L N 2.825 124.081 121.223 0.055 0.000 2.262 411 L HA 0.250 4.590 4.340 0.000 0.000 0.288 411 L C -0.903 175.972 176.870 0.008 0.000 1.035 411 L CA -0.445 54.428 54.840 0.056 0.000 0.820 411 L CB 0.205 42.303 42.059 0.065 0.000 1.204 411 L HN 0.197 nan 8.230 nan 0.000 0.424 412 N N 5.556 124.255 118.700 -0.003 0.000 2.648 412 N HA 0.361 5.101 4.740 0.000 0.000 0.261 412 N C -1.450 174.028 175.510 -0.053 0.000 1.138 412 N CA -0.437 52.596 53.050 -0.027 0.000 0.804 412 N CB 1.861 40.342 38.487 -0.010 0.000 1.237 412 N HN 0.617 nan 8.380 nan 0.000 0.532 413 Q N 0.633 120.365 119.800 -0.113 0.000 2.418 413 Q HA 0.294 4.634 4.340 0.000 0.000 0.282 413 Q C -1.171 174.701 176.000 -0.213 0.000 1.044 413 Q CA -0.754 54.944 55.803 -0.174 0.000 0.813 413 Q CB 2.735 31.287 28.738 -0.310 0.000 1.428 413 Q HN 0.365 nan 8.270 nan 0.000 0.402 414 N N 1.542 120.123 118.700 -0.198 0.000 2.414 414 N HA 0.484 5.224 4.740 0.000 0.000 0.256 414 N C -1.453 173.891 175.510 -0.277 0.000 1.029 414 N CA 0.060 52.992 53.050 -0.197 0.000 0.948 414 N CB 0.516 38.925 38.487 -0.131 0.000 1.102 414 N HN 0.378 nan 8.380 nan 0.000 0.496 415 L N 1.871 122.896 121.223 -0.329 0.000 2.333 415 L HA 0.468 4.808 4.340 0.000 0.000 0.263 415 L C -0.109 176.558 176.870 -0.338 0.000 1.014 415 L CA -1.256 53.357 54.840 -0.379 0.000 0.820 415 L CB 1.647 43.436 42.059 -0.451 0.000 1.352 415 L HN 0.530 nan 8.230 nan 0.000 0.421 416 N N 0.463 119.023 118.700 -0.232 0.000 2.430 416 N HA 0.087 4.827 4.740 0.000 0.000 0.265 416 N C 0.554 175.885 175.510 -0.298 0.000 1.100 416 N CA 0.092 53.022 53.050 -0.201 0.000 0.961 416 N CB 1.558 40.006 38.487 -0.065 0.000 1.075 416 N HN 0.792 nan 8.380 nan 0.000 0.478 417 T N 0.111 114.385 114.554 -0.465 0.000 3.044 417 T HA 0.186 4.536 4.350 0.000 0.000 0.250 417 T C 1.233 175.823 174.700 -0.183 0.000 1.081 417 T CA 0.551 62.278 62.100 -0.622 0.000 1.040 417 T CB -0.210 68.117 68.868 -0.901 0.000 0.962 417 T HN 0.594 nan 8.240 nan 0.000 0.506 418 G N 1.430 110.155 108.800 -0.125 0.000 2.187 418 G HA2 -0.227 3.733 3.960 0.000 0.000 0.261 418 G HA3 -0.227 3.733 3.960 0.000 0.000 0.261 418 G C -0.079 174.789 174.900 -0.054 0.000 1.000 418 G CA 0.592 45.667 45.100 -0.041 0.000 0.718 418 G HN 0.647 nan 8.290 nan 0.000 0.519 419 L N 1.209 122.361 121.223 -0.119 0.000 2.360 419 L HA 0.506 4.846 4.340 0.000 0.000 0.271 419 L C -1.422 175.435 176.870 -0.021 0.000 1.057 419 L CA -2.446 52.333 54.840 -0.102 0.000 0.803 419 L CB 1.380 43.266 42.059 -0.289 0.000 1.207 419 L HN -0.090 nan 8.230 nan 0.000 0.445 420 P HA 0.055 nan 4.420 nan 0.000 0.269 420 P C -0.709 176.667 177.300 0.128 0.000 1.209 420 P CA -0.395 62.750 63.100 0.075 0.000 0.776 420 P CB 0.654 32.398 31.700 0.075 0.000 0.876 421 A N 1.924 124.783 122.820 0.065 0.000 2.587 421 A HA 0.444 4.765 4.320 0.000 0.000 0.233 421 A C 0.896 178.517 177.584 0.062 0.000 1.049 421 A CA 1.231 53.304 52.037 0.060 0.000 0.754 421 A CB -1.083 17.925 19.000 0.013 0.000 0.977 421 A HN 0.896 nan 8.150 nan 0.000 0.509 422 G N -0.017 108.824 108.800 0.068 0.000 2.337 422 G HA2 0.461 4.421 3.960 0.000 0.000 0.298 422 G HA3 0.461 4.421 3.960 0.000 0.000 0.298 422 G C -0.826 174.015 174.900 -0.098 0.000 1.335 422 G CA -0.185 44.856 45.100 -0.097 0.000 0.875 422 G HN 0.932 nan 8.290 nan 0.000 0.579 423 T N 1.072 115.470 114.554 -0.259 0.000 2.758 423 T HA 0.638 4.988 4.350 0.000 0.000 0.285 423 T C -1.198 173.318 174.700 -0.306 0.000 0.981 423 T CA 0.077 62.088 62.100 -0.149 0.000 0.965 423 T CB 0.527 69.337 68.868 -0.097 0.000 0.927 423 T HN 0.363 nan 8.240 nan 0.000 0.448 424 Y N 0.642 120.906 120.300 -0.060 0.000 2.409 424 Y HA 0.446 4.996 4.550 0.000 0.000 0.339 424 Y C 0.407 176.273 175.900 -0.056 0.000 1.033 424 Y CA -1.248 56.810 58.100 -0.069 0.000 1.094 424 Y CB 0.985 39.405 38.460 -0.068 0.000 1.210 424 Y HN 0.540 nan 8.280 nan 0.000 0.456 425 c N 2.506 121.149 118.600 0.071 0.000 2.325 425 c HA 0.173 4.743 4.570 0.000 0.000 0.347 425 c C 0.275 174.397 174.090 0.054 0.000 1.263 425 c CA -0.827 55.524 56.329 0.037 0.000 1.806 425 c CB -0.606 41.907 42.510 0.004 0.000 2.405 425 c HN 0.740 nan 8.230 nan 0.000 0.537 426 D N 2.003 122.429 120.400 0.043 0.000 2.434 426 D HA 0.066 4.706 4.640 0.000 0.000 0.252 426 D C 1.055 177.374 176.300 0.031 0.000 1.185 426 D CA -0.104 53.916 54.000 0.034 0.000 0.886 426 D CB 0.978 41.780 40.800 0.005 0.000 1.148 426 D HN 0.457 nan 8.370 nan 0.000 0.483 427 V N 2.492 122.440 119.914 0.058 0.000 3.573 427 V HA 0.002 4.122 4.120 0.000 0.000 0.270 427 V C 1.654 177.741 176.094 -0.011 0.000 1.221 427 V CA 0.151 62.488 62.300 0.060 0.000 1.163 427 V CB -0.573 31.354 31.823 0.172 0.000 0.847 427 V HN 0.480 nan 8.190 nan 0.000 0.468 428 I N 2.151 122.699 120.570 -0.038 0.000 2.499 428 I HA -0.025 4.145 4.170 0.000 0.000 0.243 428 I C 2.748 178.829 176.117 -0.061 0.000 1.085 428 I CA 1.965 63.221 61.300 -0.073 0.000 1.422 428 I CB -1.105 36.833 38.000 -0.104 0.000 1.165 428 I HN 0.550 nan 8.210 nan 0.000 0.440 429 S N -0.114 115.559 115.700 -0.045 0.000 2.489 429 S HA 0.221 4.691 4.470 0.000 0.000 0.228 429 S C 1.029 175.615 174.600 -0.023 0.000 0.995 429 S CA 0.541 58.720 58.200 -0.036 0.000 0.934 429 S CB -0.144 63.039 63.200 -0.029 0.000 0.771 429 S HN 0.490 nan 8.310 nan 0.000 0.522 430 G N 0.322 109.114 108.800 -0.013 0.000 2.588 430 G HA2 0.565 4.526 3.960 0.000 0.000 0.281 430 G HA3 0.565 4.526 3.960 0.000 0.000 0.281 430 G C -1.925 172.989 174.900 0.022 0.000 1.223 430 G CA -0.292 44.811 45.100 0.005 0.000 0.871 430 G HN 0.482 nan 8.290 nan 0.000 0.492 431 E N -1.477 118.748 120.200 0.041 0.000 2.437 431 E HA 0.496 4.846 4.350 0.000 0.000 0.280 431 E C -1.859 174.770 176.600 0.047 0.000 1.044 431 E CA -0.974 55.465 56.400 0.065 0.000 0.826 431 E CB 1.948 31.720 29.700 0.121 0.000 1.358 431 E HN 0.712 nan 8.360 nan 0.000 0.459 432 L N 2.237 123.485 121.223 0.043 0.000 2.315 432 L HA 0.435 4.775 4.340 0.000 0.000 0.283 432 L C -0.928 175.959 176.870 0.029 0.000 1.089 432 L CA 0.294 55.144 54.840 0.016 0.000 0.833 432 L CB 0.715 42.766 42.059 -0.012 0.000 1.170 432 L HN 0.656 nan 8.230 nan 0.000 0.442 433 S N 2.738 118.450 115.700 0.020 0.000 2.677 433 S HA 0.634 5.104 4.470 0.000 0.000 0.283 433 S C 0.278 174.883 174.600 0.009 0.000 1.159 433 S CA -0.276 57.938 58.200 0.023 0.000 1.001 433 S CB 1.163 64.386 63.200 0.038 0.000 1.032 433 S HN 1.631 nan 8.310 nan 0.000 0.487 434 G N 1.851 110.653 108.800 0.004 0.000 2.395 434 G HA2 0.200 4.160 3.960 0.000 0.000 0.292 434 G HA3 0.200 4.160 3.960 0.000 0.000 0.292 434 G C 1.292 176.186 174.900 -0.010 0.000 0.953 434 G CA 0.587 45.685 45.100 -0.003 0.000 1.207 434 G HN 2.584 nan 8.290 nan 0.000 0.503 435 G N -2.104 106.685 108.800 -0.018 0.000 2.184 435 G HA2 -0.031 3.929 3.960 0.000 0.000 0.264 435 G HA3 -0.031 3.929 3.960 0.000 0.000 0.264 435 G C 0.466 175.350 174.900 -0.026 0.000 0.975 435 G CA 0.943 46.028 45.100 -0.026 0.000 0.642 435 G HN 1.820 nan 8.290 nan 0.000 0.536 436 S N -1.695 113.994 115.700 -0.018 0.000 2.661 436 S HA 0.676 5.146 4.470 0.000 0.000 0.285 436 S C -0.294 174.300 174.600 -0.011 0.000 1.138 436 S CA -0.204 57.986 58.200 -0.016 0.000 0.855 436 S CB 2.124 65.318 63.200 -0.009 0.000 1.136 436 S HN 0.663 nan 8.310 nan 0.000 0.484 437 c N 2.014 120.609 118.600 -0.009 0.000 2.303 437 c HA 0.473 5.044 4.570 0.000 0.000 0.326 437 c C 2.061 176.154 174.090 0.005 0.000 1.285 437 c CA -0.600 55.728 56.329 -0.001 0.000 1.675 437 c CB 0.305 42.813 42.510 -0.002 0.000 2.289 437 c HN 1.071 nan 8.230 nan 0.000 0.512 438 T N -0.295 114.268 114.554 0.014 0.000 3.160 438 T HA 0.265 4.615 4.350 0.000 0.000 0.257 438 T C 0.828 175.533 174.700 0.008 0.000 1.147 438 T CA 0.787 62.896 62.100 0.015 0.000 1.064 438 T CB 0.082 68.966 68.868 0.027 0.000 0.949 438 T HN 0.888 nan 8.240 nan 0.000 0.526 439 G N 0.206 109.009 108.800 0.006 0.000 3.183 439 G HA2 0.544 4.504 3.960 0.000 0.000 0.247 439 G HA3 0.544 4.504 3.960 0.000 0.000 0.247 439 G C -1.224 173.675 174.900 -0.001 0.000 1.211 439 G CA -1.209 43.891 45.100 -0.001 0.000 0.835 439 G HN 0.255 nan 8.290 nan 0.000 0.604 440 K N 0.156 120.553 120.400 -0.004 0.000 2.380 440 K HA 0.376 4.696 4.320 0.000 0.000 0.267 440 K C 0.214 176.818 176.600 0.007 0.000 0.990 440 K CA 0.365 56.651 56.287 -0.002 0.000 0.946 440 K CB 0.793 33.289 32.500 -0.007 0.000 0.937 440 K HN 0.580 nan 8.250 nan 0.000 0.491 441 S N -0.227 115.479 115.700 0.008 0.000 2.634 441 S HA 0.671 5.141 4.470 0.000 0.000 0.296 441 S C -0.725 173.891 174.600 0.027 0.000 1.104 441 S CA -0.953 57.260 58.200 0.022 0.000 0.920 441 S CB 1.751 64.956 63.200 0.008 0.000 1.111 441 S HN 0.217 nan 8.310 nan 0.000 0.493 442 V N 1.194 121.144 119.914 0.060 0.000 2.760 442 V HA 0.558 4.679 4.120 0.000 0.000 0.309 442 V C -0.583 175.566 176.094 0.092 0.000 1.077 442 V CA -0.566 61.764 62.300 0.050 0.000 0.910 442 V CB 2.182 34.023 31.823 0.030 0.000 1.008 442 V HN 1.051 nan 8.190 nan 0.000 0.424 443 T N 3.863 118.439 114.554 0.037 0.000 2.756 443 T HA 0.492 4.842 4.350 0.000 0.000 0.290 443 T C -0.283 174.430 174.700 0.022 0.000 0.985 443 T CA -0.288 61.837 62.100 0.043 0.000 0.955 443 T CB 1.275 70.144 68.868 0.003 0.000 0.930 443 T HN 0.361 nan 8.240 nan 0.000 0.451 444 V N 3.944 123.906 119.914 0.079 0.000 2.383 444 V HA 0.535 4.656 4.120 0.000 0.000 0.275 444 V C 1.223 177.322 176.094 0.007 0.000 1.036 444 V CA -0.475 61.833 62.300 0.013 0.000 0.889 444 V CB 1.190 33.032 31.823 0.032 0.000 0.985 444 V HN 1.006 nan 8.190 nan 0.000 0.459 445 G N 3.416 112.195 108.800 -0.034 0.000 2.468 445 G HA2 0.094 4.054 3.960 0.000 0.000 0.264 445 G HA3 0.094 4.054 3.960 0.000 0.000 0.264 445 G C 0.395 175.282 174.900 -0.023 0.000 1.460 445 G CA 0.415 45.497 45.100 -0.029 0.000 1.060 445 G HN 0.825 nan 8.290 nan 0.000 0.543 446 D N -1.066 119.320 120.400 -0.024 0.000 2.327 446 D HA -0.013 4.627 4.640 0.000 0.000 0.205 446 D C 1.187 177.473 176.300 -0.023 0.000 0.989 446 D CA 0.338 54.327 54.000 -0.018 0.000 0.873 446 D CB -0.034 40.757 40.800 -0.015 0.000 0.955 446 D HN 0.267 nan 8.370 nan 0.000 0.515 447 N N 0.365 119.045 118.700 -0.033 0.000 2.370 447 N HA 0.211 4.951 4.740 0.000 0.000 0.198 447 N C 1.343 176.821 175.510 -0.053 0.000 1.156 447 N CA 0.596 53.624 53.050 -0.036 0.000 0.839 447 N CB 0.472 38.937 38.487 -0.038 0.000 0.989 447 N HN 0.268 nan 8.380 nan 0.000 0.468 448 G N -0.426 108.338 108.800 -0.061 0.000 2.175 448 G HA2 -0.329 3.631 3.960 0.000 0.000 0.265 448 G HA3 -0.329 3.631 3.960 0.000 0.000 0.265 448 G C 0.276 175.082 174.900 -0.157 0.000 0.979 448 G CA 0.769 45.813 45.100 -0.094 0.000 0.663 448 G HN 0.542 nan 8.290 nan 0.000 0.533 449 S N -0.241 115.378 115.700 -0.135 0.000 2.617 449 S HA 0.868 5.338 4.470 0.000 0.000 0.269 449 S C 0.264 174.752 174.600 -0.187 0.000 1.292 449 S CA 0.949 59.047 58.200 -0.170 0.000 1.010 449 S CB 1.370 64.499 63.200 -0.118 0.000 0.944 449 S HN 1.985 nan 8.310 nan 0.000 0.536 450 A N 2.748 125.430 122.820 -0.230 0.000 2.605 450 A HA 0.489 4.809 4.320 0.000 0.000 0.294 450 A C -1.759 175.708 177.584 -0.196 0.000 1.062 450 A CA -0.794 51.121 52.037 -0.203 0.000 0.682 450 A CB 1.076 19.924 19.000 -0.254 0.000 1.278 450 A HN 0.732 nan 8.150 nan 0.000 0.410 451 D N 2.159 122.478 120.400 -0.136 0.000 2.313 451 D HA 0.386 5.026 4.640 0.000 0.000 0.239 451 D C -0.330 175.907 176.300 -0.106 0.000 1.142 451 D CA 0.240 54.169 54.000 -0.117 0.000 0.847 451 D CB 0.918 41.670 40.800 -0.080 0.000 1.082 451 D HN 0.333 nan 8.370 nan 0.000 0.480 452 I N 1.653 122.153 120.570 -0.117 0.000 2.336 452 I HA 0.193 4.363 4.170 0.000 0.000 0.292 452 I C 0.416 176.499 176.117 -0.057 0.000 0.991 452 I CA -0.340 60.918 61.300 -0.070 0.000 1.227 452 I CB 1.337 39.314 38.000 -0.039 0.000 1.366 452 I HN 0.049 nan 8.210 nan 0.000 0.466 453 S N 6.624 122.304 115.700 -0.034 0.000 2.647 453 S HA 0.646 5.116 4.470 0.000 0.000 0.300 453 S C -0.939 173.650 174.600 -0.017 0.000 1.129 453 S CA -0.389 57.796 58.200 -0.024 0.000 1.029 453 S CB 1.608 64.795 63.200 -0.022 0.000 1.007 453 S HN 0.422 nan 8.310 nan 0.000 0.484 454 L N 4.000 125.217 121.223 -0.009 0.000 2.568 454 L HA 0.653 4.993 4.340 0.000 0.000 0.262 454 L C 0.037 176.913 176.870 0.010 0.000 0.980 454 L CA 0.035 54.870 54.840 -0.007 0.000 0.882 454 L CB 0.933 42.983 42.059 -0.016 0.000 1.198 454 L HN 0.692 nan 8.230 nan 0.000 0.425 455 G N 1.523 110.328 108.800 0.007 0.000 2.476 455 G HA2 0.407 4.367 3.960 0.000 0.000 0.269 455 G HA3 0.407 4.367 3.960 0.000 0.000 0.269 455 G C 0.696 175.609 174.900 0.021 0.000 1.195 455 G CA 0.136 45.245 45.100 0.015 0.000 0.843 455 G HN 0.801 nan 8.290 nan 0.000 0.545 456 S N 0.417 116.133 115.700 0.028 0.000 2.507 456 S HA 0.020 4.490 4.470 0.000 0.000 0.235 456 S C 1.962 176.576 174.600 0.024 0.000 0.988 456 S CA 0.864 59.084 58.200 0.032 0.000 0.944 456 S CB 0.171 63.392 63.200 0.036 0.000 0.762 456 S HN 0.864 nan 8.310 nan 0.000 0.526 457 A N 0.869 123.699 122.820 0.016 0.000 2.275 457 A HA 0.269 4.590 4.320 0.000 0.000 0.212 457 A C 0.833 178.420 177.584 0.005 0.000 1.201 457 A CA -0.331 51.713 52.037 0.011 0.000 0.843 457 A CB -0.096 18.909 19.000 0.008 0.000 0.873 457 A HN 0.529 nan 8.150 nan 0.000 0.492 458 E N 0.213 120.416 120.200 0.004 0.000 2.410 458 E HA 0.011 4.361 4.350 0.000 0.000 0.255 458 E C -0.106 176.490 176.600 -0.007 0.000 1.194 458 E CA -0.236 56.161 56.400 -0.004 0.000 0.955 458 E CB 0.316 30.011 29.700 -0.008 0.000 0.988 458 E HN 0.188 nan 8.360 nan 0.000 0.461 459 D N 0.472 120.862 120.400 -0.017 0.000 2.178 459 D HA -0.055 4.585 4.640 0.000 0.000 0.202 459 D C -0.176 176.112 176.300 -0.021 0.000 0.974 459 D CA 1.350 55.336 54.000 -0.024 0.000 0.841 459 D CB 0.151 40.927 40.800 -0.040 0.000 0.953 459 D HN 0.277 nan 8.370 nan 0.000 0.478 460 D N -1.737 118.650 120.400 -0.022 0.000 2.350 460 D HA 0.445 5.085 4.640 0.000 0.000 0.238 460 D C 0.644 176.940 176.300 -0.007 0.000 0.989 460 D CA -0.499 53.489 54.000 -0.020 0.000 0.921 460 D CB 2.013 42.787 40.800 -0.043 0.000 1.297 460 D HN 0.021 nan 8.370 nan 0.000 0.490 461 G N -0.320 108.486 108.800 0.010 0.000 3.774 461 G HA2 0.354 4.314 3.960 0.000 0.000 0.287 461 G HA3 0.354 4.314 3.960 0.000 0.000 0.287 461 G C -0.384 174.533 174.900 0.029 0.000 1.030 461 G CA -0.050 45.077 45.100 0.045 0.000 0.824 461 G HN 0.267 nan 8.290 nan 0.000 0.518 462 V N 0.116 119.979 119.914 -0.084 0.000 3.007 462 V HA 0.824 4.944 4.120 0.000 0.000 0.311 462 V C -1.685 174.240 176.094 -0.282 0.000 1.120 462 V CA -1.048 61.075 62.300 -0.295 0.000 0.980 462 V CB 2.515 34.118 31.823 -0.366 0.000 1.033 462 V HN 0.140 nan 8.190 nan 0.000 0.429 463 L N 5.414 126.407 121.223 -0.384 0.000 2.408 463 L HA 1.001 5.341 4.340 0.000 0.000 0.268 463 L C -0.674 176.008 176.870 -0.314 0.000 0.986 463 L CA -0.177 54.515 54.840 -0.248 0.000 0.820 463 L CB 1.880 43.845 42.059 -0.157 0.000 1.303 463 L HN 0.959 nan 8.230 nan 0.000 0.411 464 A N 6.353 129.072 122.820 -0.167 0.000 2.408 464 A HA 0.751 5.071 4.320 0.000 0.000 0.295 464 A C -1.164 176.510 177.584 0.149 0.000 1.040 464 A CA -0.500 51.490 52.037 -0.078 0.000 0.707 464 A CB 1.176 20.052 19.000 -0.206 0.000 1.235 464 A HN 0.759 nan 8.150 nan 0.000 0.418 465 I N 0.317 121.027 120.570 0.234 0.000 2.730 465 I HA 0.932 5.102 4.170 0.000 0.000 0.298 465 I C -0.639 175.577 176.117 0.164 0.000 1.089 465 I CA -0.912 60.487 61.300 0.166 0.000 1.041 465 I CB 2.291 40.293 38.000 0.003 0.000 1.235 465 I HN 0.940 nan 8.210 nan 0.000 0.423 466 H N 1.665 120.761 119.070 0.043 0.000 3.008 466 H HA 0.439 4.995 4.556 0.000 0.000 0.354 466 H C 0.270 175.669 175.328 0.119 0.000 1.252 466 H CA -0.694 55.297 56.048 -0.096 0.000 1.117 466 H CB 1.372 30.930 29.762 -0.340 0.000 1.857 466 H HN 0.447 nan 8.280 nan 0.000 0.547 467 V N -0.939 119.062 119.914 0.145 0.000 3.330 467 V HA -0.074 4.046 4.120 0.000 0.000 0.273 467 V C 0.261 176.384 176.094 0.049 0.000 1.179 467 V CA 1.945 64.342 62.300 0.161 0.000 1.174 467 V CB -1.150 30.740 31.823 0.111 0.000 0.794 467 V HN 0.783 nan 8.190 nan 0.000 0.527 468 N N 0.509 119.220 118.700 0.018 0.000 2.205 468 N HA 0.539 5.279 4.740 0.000 0.000 0.201 468 N C 0.650 176.066 175.510 -0.156 0.000 1.128 468 N CA 0.503 53.556 53.050 0.006 0.000 0.867 468 N CB 0.583 39.194 38.487 0.208 0.000 0.996 468 N HN 0.570 nan 8.380 nan 0.000 0.503 469 A N 1.211 123.800 122.820 -0.384 0.000 3.248 469 A HA 0.261 4.581 4.320 0.000 0.000 0.315 469 A C -0.341 177.130 177.584 -0.187 0.000 0.974 469 A CA -0.319 51.552 52.037 -0.276 0.000 0.939 469 A CB 0.104 18.875 19.000 -0.381 0.000 1.061 469 A HN 0.030 nan 8.150 nan 0.000 0.481 470 K N 1.107 121.374 120.400 -0.221 0.000 2.378 470 K HA 0.655 4.976 4.320 0.000 0.000 0.252 470 K C -0.910 175.532 176.600 -0.263 0.000 0.931 470 K CA -0.710 55.344 56.287 -0.388 0.000 0.794 470 K CB 1.238 33.422 32.500 -0.526 0.000 1.181 470 K HN 0.308 nan 8.250 nan 0.000 0.425 471 L N 0.000 121.070 121.223 -0.255 0.000 2.949 471 L HA 0.000 4.340 4.340 0.000 0.000 0.249 471 L CA 0.000 54.742 54.840 -0.163 0.000 0.813 471 L CB 0.000 41.981 42.059 -0.129 0.000 0.961 471 L HN 0.000 nan 8.230 nan 0.000 0.502