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 2bry_1_B DATA FIRST_RESID 7 DATA SEQUENCE TNPAHDHFET FVQAQLCQDV LSSFQGLCRA LGVESGGGLS QYHKIKAQLN DATA SEQUENCE YWSAKSLWAK LDKRASQPVY QQGQACTNTK CLVVGAGPCG LRAAVELALL DATA SEQUENCE GARVVLVEKR IKFSRHNVLH LWPFTIHDLR ALGAKKFYGR FCTGTLDHIS DATA SEQUENCE IRQLQLLLLK VALLLGVEIH WGVKFTGLQP PPRKGSGWRA QLQPNPPAQL DATA SEQUENCE ASYEFDVLIS AAGGKFVPEG FTIREMRGKL AIGITANFVN GRTVEETQVP DATA SEQUENCE EISGXXXXYN QKFFQSLLKA TGIDLENIVY YKDETHYFVM TAKKQCLLRL DATA SEQUENCE GVLRQDLSET DQLLGKANVV PEALQRFARA AADFATHGKL GKLEFAQDAR DATA SEQUENCE GRPDVAAFDF TSMMRAESSA RVQEKHGARL LLGLVGDCLV EPFWPLGTGV DATA SEQUENCE ARGFLAAFDA AWMVKRWAEG AGPLEVLAER ESLYQLLSQT SPENMHRNVA DATA SEQUENCE QYGLDPATRY PNLNLRAVTP NQVQDLYDMM DKE 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.671 174.700 -0.048 0.000 1.109 7 T CA 0.000 62.094 62.100 -0.009 0.000 1.349 7 T CB 0.000 68.882 68.868 0.023 0.000 0.612 8 N N 2.342 121.004 118.700 -0.062 0.000 2.623 8 N HA 0.426 5.164 4.740 -0.003 0.000 0.256 8 N C -2.565 172.883 175.510 -0.104 0.000 1.045 8 N CA -2.039 50.914 53.050 -0.162 0.000 0.863 8 N CB 1.905 40.161 38.487 -0.385 0.000 1.182 8 N HN 0.033 nan 8.380 nan 0.000 0.523 9 P HA -0.053 nan 4.420 nan 0.000 0.216 9 P C 1.008 178.344 177.300 0.060 0.000 1.150 9 P CA 1.122 64.200 63.100 -0.037 0.000 0.837 9 P CB 0.373 32.095 31.700 0.036 0.000 0.786 10 A N -0.803 122.050 122.820 0.054 0.000 1.902 10 A HA -0.244 4.074 4.320 -0.003 0.000 0.217 10 A C 2.079 179.795 177.584 0.219 0.000 1.181 10 A CA 1.567 53.678 52.037 0.124 0.000 0.623 10 A CB -1.832 17.177 19.000 0.014 0.000 0.818 10 A HN 0.278 nan 8.150 nan 0.000 0.443 11 H N -0.527 118.522 119.070 -0.036 0.000 2.321 11 H HA -0.122 4.433 4.556 -0.003 0.000 0.300 11 H C 1.616 177.040 175.328 0.160 0.000 1.087 11 H CA 0.837 56.880 56.048 -0.008 0.000 1.319 11 H CB 0.018 29.695 29.762 -0.141 0.000 1.379 11 H HN 0.447 nan 8.280 nan 0.000 0.501 12 D N 0.136 120.650 120.400 0.190 0.000 2.104 12 D HA -0.158 4.481 4.640 -0.003 0.000 0.194 12 D C 2.064 178.406 176.300 0.070 0.000 0.994 12 D CA 1.202 55.246 54.000 0.074 0.000 0.830 12 D CB -0.400 40.342 40.800 -0.098 0.000 0.959 12 D HN 0.531 nan 8.370 nan 0.000 0.452 13 H N -0.695 118.484 119.070 0.182 0.000 2.357 13 H HA -0.074 4.480 4.556 -0.003 0.000 0.301 13 H C 2.074 177.557 175.328 0.258 0.000 1.082 13 H CA 0.627 56.778 56.048 0.172 0.000 1.342 13 H CB -0.606 29.216 29.762 0.101 0.000 1.389 13 H HN 0.168 nan 8.280 nan 0.000 0.511 14 F N 2.170 122.297 119.950 0.294 0.000 2.102 14 F HA -0.161 4.365 4.527 -0.003 0.000 0.298 14 F C 2.229 178.230 175.800 0.335 0.000 1.105 14 F CA 1.459 59.653 58.000 0.322 0.000 1.239 14 F CB -0.063 39.114 39.000 0.296 0.000 0.991 14 F HN 0.070 nan 8.300 nan 0.000 0.474 15 E N -0.627 119.718 120.200 0.242 0.000 2.077 15 E HA -0.182 4.166 4.350 -0.003 0.000 0.193 15 E C 2.120 178.758 176.600 0.063 0.000 0.989 15 E CA 1.901 58.356 56.400 0.091 0.000 0.800 15 E CB -0.412 29.409 29.700 0.201 0.000 0.746 15 E HN 0.359 nan 8.360 nan 0.000 0.452 16 T N 0.892 115.526 114.554 0.133 0.000 2.746 16 T HA -0.173 4.175 4.350 -0.003 0.000 0.267 16 T C 1.488 176.267 174.700 0.131 0.000 1.039 16 T CA 1.140 63.316 62.100 0.126 0.000 1.142 16 T CB -0.383 68.576 68.868 0.153 0.000 0.866 16 T HN 0.189 nan 8.240 nan 0.000 0.444 17 F N 2.067 122.022 119.950 0.008 0.000 2.069 17 F HA -0.154 4.372 4.527 -0.003 0.000 0.298 17 F C 2.228 177.984 175.800 -0.074 0.000 1.113 17 F CA 0.943 58.939 58.000 -0.006 0.000 1.214 17 F CB -0.716 38.323 39.000 0.066 0.000 0.978 17 F HN -0.095 nan 8.300 nan 0.000 0.474 18 V N 1.556 121.346 119.914 -0.205 0.000 2.332 18 V HA -0.348 3.770 4.120 -0.003 0.000 0.248 18 V C 2.330 178.358 176.094 -0.109 0.000 1.055 18 V CA 2.422 64.595 62.300 -0.213 0.000 1.038 18 V CB -1.107 30.529 31.823 -0.312 0.000 0.651 18 V HN 0.663 nan 8.190 nan 0.000 0.450 19 Q N 0.370 120.126 119.800 -0.072 0.000 2.360 19 Q HA 0.289 4.627 4.340 -0.003 0.000 0.202 19 Q C 0.979 176.959 176.000 -0.033 0.000 0.915 19 Q CA 0.548 56.337 55.803 -0.023 0.000 0.943 19 Q CB -0.043 28.703 28.738 0.013 0.000 1.064 19 Q HN 0.518 nan 8.270 nan 0.000 0.511 20 A N 1.578 124.354 122.820 -0.074 0.000 2.546 20 A HA 0.017 4.335 4.320 -0.003 0.000 0.243 20 A C 0.605 178.143 177.584 -0.075 0.000 1.063 20 A CA -0.037 51.961 52.037 -0.066 0.000 0.757 20 A CB 0.378 19.330 19.000 -0.080 0.000 0.991 20 A HN 0.303 nan 8.150 nan 0.000 0.503 21 Q N 1.138 120.911 119.800 -0.045 0.000 2.217 21 Q HA 0.309 4.647 4.340 -0.003 0.000 0.217 21 Q C -0.686 175.289 176.000 -0.041 0.000 0.844 21 Q CA 0.436 56.217 55.803 -0.036 0.000 0.957 21 Q CB 0.436 29.171 28.738 -0.005 0.000 1.127 21 Q HN 0.729 nan 8.270 nan 0.000 0.503 22 L N -0.523 120.658 121.223 -0.069 0.000 2.386 22 L HA 0.317 4.656 4.340 -0.003 0.000 0.271 22 L C 1.213 177.965 176.870 -0.197 0.000 0.993 22 L CA -0.603 54.171 54.840 -0.109 0.000 0.819 22 L CB 2.014 44.013 42.059 -0.099 0.000 1.294 22 L HN 0.007 nan 8.230 nan 0.000 0.414 23 C N 1.363 120.456 119.300 -0.345 0.000 2.398 23 C HA -0.211 4.247 4.460 -0.003 0.000 0.276 23 C C 2.592 177.265 174.990 -0.528 0.000 1.222 23 C CA 1.614 60.259 59.018 -0.621 0.000 1.746 23 C CB -0.306 26.689 27.740 -1.242 0.000 2.039 23 C HN 1.048 nan 8.230 nan 0.000 0.470 24 Q N 0.647 120.183 119.800 -0.441 0.000 2.124 24 Q HA -0.144 4.194 4.340 -0.003 0.000 0.202 24 Q C 1.675 177.561 176.000 -0.189 0.000 0.977 24 Q CA 2.412 58.014 55.803 -0.336 0.000 0.850 24 Q CB -0.423 28.160 28.738 -0.258 0.000 0.901 24 Q HN 0.698 nan 8.270 nan 0.000 0.429 25 D N -1.161 119.157 120.400 -0.136 0.000 2.149 25 D HA -0.101 4.538 4.640 -0.003 0.000 0.201 25 D C 1.837 178.138 176.300 0.001 0.000 0.972 25 D CA 1.050 55.021 54.000 -0.049 0.000 0.835 25 D CB -0.127 40.651 40.800 -0.036 0.000 0.966 25 D HN 0.150 nan 8.370 nan 0.000 0.476 26 V N 1.240 121.124 119.914 -0.049 0.000 2.287 26 V HA -0.235 3.884 4.120 -0.003 0.000 0.248 26 V C 2.639 178.841 176.094 0.179 0.000 1.053 26 V CA 1.261 63.584 62.300 0.038 0.000 1.027 26 V CB -0.568 31.199 31.823 -0.092 0.000 0.646 26 V HN 0.202 nan 8.190 nan 0.000 0.447 27 L N 0.845 122.074 121.223 0.010 0.000 2.017 27 L HA -0.160 4.179 4.340 -0.003 0.000 0.208 27 L C 2.775 179.707 176.870 0.103 0.000 1.073 27 L CA 1.965 56.834 54.840 0.049 0.000 0.745 27 L CB -0.863 41.107 42.059 -0.148 0.000 0.894 27 L HN 0.570 nan 8.230 nan 0.000 0.432 28 S N -0.488 115.237 115.700 0.041 0.000 2.368 28 S HA -0.162 4.307 4.470 -0.003 0.000 0.224 28 S C 2.174 176.816 174.600 0.070 0.000 1.029 28 S CA 1.082 59.303 58.200 0.034 0.000 0.988 28 S CB -0.586 62.621 63.200 0.012 0.000 0.838 28 S HN 0.522 nan 8.310 nan 0.000 0.462 29 S N 1.075 116.872 115.700 0.160 0.000 2.383 29 S HA -0.020 4.449 4.470 -0.003 0.000 0.227 29 S C 1.618 176.320 174.600 0.170 0.000 1.026 29 S CA 0.758 59.096 58.200 0.230 0.000 0.981 29 S CB -1.040 62.356 63.200 0.327 0.000 0.818 29 S HN 0.470 nan 8.310 nan 0.000 0.472 30 F N 2.621 122.618 119.950 0.077 0.000 2.134 30 F HA -0.001 4.524 4.527 -0.003 0.000 0.299 30 F C 2.659 178.378 175.800 -0.134 0.000 1.097 30 F CA 1.472 59.394 58.000 -0.130 0.000 1.264 30 F CB -0.452 38.507 39.000 -0.069 0.000 1.001 30 F HN 0.111 nan 8.300 nan 0.000 0.479 31 Q N 0.255 119.991 119.800 -0.106 0.000 2.079 31 Q HA -0.076 4.262 4.340 -0.003 0.000 0.200 31 Q C 2.592 178.393 176.000 -0.332 0.000 0.974 31 Q CA 1.428 57.103 55.803 -0.213 0.000 0.840 31 Q CB -1.398 27.292 28.738 -0.079 0.000 0.898 31 Q HN 0.532 nan 8.270 nan 0.000 0.430 32 G N 1.039 109.599 108.800 -0.401 0.000 2.440 32 G HA2 -0.247 3.712 3.960 -0.003 0.000 0.218 32 G HA3 -0.247 3.712 3.960 -0.003 0.000 0.218 32 G C 1.504 175.910 174.900 -0.824 0.000 1.154 32 G CA 0.895 45.502 45.100 -0.822 0.000 0.767 32 G HN 0.339 nan 8.290 nan 0.000 0.552 33 L N 0.748 121.644 121.223 -0.544 0.000 1.994 33 L HA -0.070 4.269 4.340 -0.003 0.000 0.208 33 L C 2.863 179.528 176.870 -0.341 0.000 1.071 33 L CA 1.827 56.496 54.840 -0.284 0.000 0.745 33 L CB -0.948 40.980 42.059 -0.219 0.000 0.892 33 L HN 0.270 nan 8.230 nan 0.000 0.431 34 C N -0.232 118.753 119.300 -0.525 0.000 2.413 34 C HA -0.156 4.303 4.460 -0.003 0.000 0.276 34 C C 2.789 177.626 174.990 -0.256 0.000 1.236 34 C CA 1.035 59.801 59.018 -0.421 0.000 1.735 34 C CB -1.140 26.306 27.740 -0.490 0.000 2.031 34 C HN 0.515 nan 8.230 nan 0.000 0.474 35 R N 1.002 121.354 120.500 -0.246 0.000 2.083 35 R HA -0.130 4.209 4.340 -0.003 0.000 0.237 35 R C 2.397 178.623 176.300 -0.123 0.000 1.137 35 R CA 1.701 57.703 56.100 -0.164 0.000 0.951 35 R CB -0.576 29.630 30.300 -0.157 0.000 0.851 35 R HN 0.562 nan 8.270 nan 0.000 0.434 36 A N 0.935 123.682 122.820 -0.122 0.000 1.972 36 A HA -0.081 4.237 4.320 -0.003 0.000 0.219 36 A C 2.001 179.549 177.584 -0.062 0.000 1.169 36 A CA 1.097 53.107 52.037 -0.045 0.000 0.635 36 A CB -0.289 18.745 19.000 0.055 0.000 0.810 36 A HN 0.195 nan 8.150 nan 0.000 0.446 37 L N -1.306 119.861 121.223 -0.093 0.000 2.567 37 L HA 0.191 4.529 4.340 -0.003 0.000 0.225 37 L C 1.554 178.369 176.870 -0.092 0.000 1.119 37 L CA 0.428 55.212 54.840 -0.094 0.000 0.871 37 L CB -0.286 41.707 42.059 -0.111 0.000 1.036 37 L HN 0.553 nan 8.230 nan 0.000 0.459 38 G N 1.564 110.308 108.800 -0.092 0.000 2.249 38 G HA2 -0.243 3.716 3.960 -0.003 0.000 0.273 38 G HA3 -0.243 3.716 3.960 -0.003 0.000 0.273 38 G C 0.135 174.986 174.900 -0.080 0.000 1.036 38 G CA 0.456 45.510 45.100 -0.078 0.000 0.824 38 G HN 0.295 nan 8.290 nan 0.000 0.504 39 V N -4.173 115.679 119.914 -0.103 0.000 2.919 39 V HA 0.925 5.043 4.120 -0.003 0.000 0.316 39 V C -0.024 176.010 176.094 -0.100 0.000 1.077 39 V CA -1.675 60.569 62.300 -0.094 0.000 0.977 39 V CB 2.180 33.942 31.823 -0.103 0.000 1.039 39 V HN 0.155 nan 8.190 nan 0.000 0.441 40 E N 2.115 122.275 120.200 -0.066 0.000 2.249 40 E HA 0.391 4.739 4.350 -0.003 0.000 0.280 40 E C 0.263 176.845 176.600 -0.031 0.000 1.016 40 E CA -0.090 56.280 56.400 -0.050 0.000 0.830 40 E CB 1.701 31.388 29.700 -0.022 0.000 1.081 40 E HN 1.001 nan 8.360 nan 0.000 0.395 41 S N 0.334 116.025 115.700 -0.015 0.000 2.596 41 S HA 0.380 4.849 4.470 -0.003 0.000 0.260 41 S C 1.147 175.803 174.600 0.094 0.000 1.336 41 S CA 0.012 58.278 58.200 0.110 0.000 0.993 41 S CB 0.713 64.038 63.200 0.209 0.000 0.923 41 S HN 0.841 nan 8.310 nan 0.000 0.567 42 G N 0.015 108.888 108.800 0.122 0.000 2.153 42 G HA2 -0.145 3.813 3.960 -0.003 0.000 0.252 42 G HA3 -0.145 3.813 3.960 -0.003 0.000 0.252 42 G C 0.613 175.534 174.900 0.035 0.000 0.994 42 G CA 0.164 45.293 45.100 0.047 0.000 0.698 42 G HN 1.582 nan 8.290 nan 0.000 0.521 43 G N -0.355 108.473 108.800 0.046 0.000 3.448 43 G HA2 0.582 4.540 3.960 -0.003 0.000 0.261 43 G HA3 0.582 4.540 3.960 -0.003 0.000 0.261 43 G C 1.413 176.318 174.900 0.007 0.000 1.173 43 G CA 1.289 46.403 45.100 0.023 0.000 0.835 43 G HN 1.925 nan 8.290 nan 0.000 0.534 44 G N 0.172 108.977 108.800 0.008 0.000 2.601 44 G HA2 -0.311 3.647 3.960 -0.003 0.000 0.261 44 G HA3 -0.311 3.647 3.960 -0.003 0.000 0.261 44 G C 1.022 175.894 174.900 -0.046 0.000 1.289 44 G CA 0.071 45.161 45.100 -0.016 0.000 0.920 44 G HN 0.436 nan 8.290 nan 0.000 0.571 45 L N 0.434 121.597 121.223 -0.100 0.000 2.201 45 L HA -0.003 4.335 4.340 -0.003 0.000 0.212 45 L C 3.184 179.771 176.870 -0.471 0.000 1.105 45 L CA 1.714 56.421 54.840 -0.222 0.000 0.775 45 L CB -0.584 41.340 42.059 -0.225 0.000 0.913 45 L HN 0.657 nan 8.230 nan 0.000 0.440 46 S N -0.270 115.262 115.700 -0.281 0.000 2.370 46 S HA -0.294 4.174 4.470 -0.003 0.000 0.226 46 S C 2.029 176.545 174.600 -0.140 0.000 1.033 46 S CA 1.753 59.830 58.200 -0.206 0.000 1.011 46 S CB -0.151 63.006 63.200 -0.073 0.000 0.852 46 S HN 0.487 nan 8.310 nan 0.000 0.457 47 Q N -0.897 118.859 119.800 -0.074 0.000 2.061 47 Q HA -0.220 4.119 4.340 -0.003 0.000 0.204 47 Q C 2.013 178.004 176.000 -0.014 0.000 0.984 47 Q CA 1.997 57.787 55.803 -0.022 0.000 0.846 47 Q CB -0.501 28.263 28.738 0.042 0.000 0.902 47 Q HN 0.781 nan 8.270 nan 0.000 0.421 48 Y N 0.896 121.122 120.300 -0.122 0.000 2.128 48 Y HA -0.278 4.270 4.550 -0.003 0.000 0.284 48 Y C 1.856 177.688 175.900 -0.113 0.000 1.154 48 Y CA 2.425 60.462 58.100 -0.105 0.000 1.149 48 Y CB -0.728 37.682 38.460 -0.083 0.000 0.976 48 Y HN 0.337 nan 8.280 nan 0.000 0.505 49 H N -0.463 118.395 119.070 -0.354 0.000 2.353 49 H HA -0.126 4.428 4.556 -0.003 0.000 0.300 49 H C 2.096 177.182 175.328 -0.403 0.000 1.090 49 H CA 1.313 57.093 56.048 -0.447 0.000 1.327 49 H CB 0.020 29.660 29.762 -0.203 0.000 1.383 49 H HN 0.314 nan 8.280 nan 0.000 0.508 50 K N 0.480 120.793 120.400 -0.144 0.000 2.103 50 K HA -0.064 4.255 4.320 -0.003 0.000 0.204 50 K C 2.104 178.573 176.600 -0.219 0.000 1.052 50 K CA 0.891 57.086 56.287 -0.153 0.000 0.945 50 K CB 0.132 32.573 32.500 -0.097 0.000 0.722 50 K HN 0.261 nan 8.250 nan 0.000 0.443 51 I N 2.109 122.524 120.570 -0.260 0.000 2.163 51 I HA -0.313 3.856 4.170 -0.003 0.000 0.240 51 I C 2.498 178.327 176.117 -0.481 0.000 1.081 51 I CA 1.396 62.533 61.300 -0.271 0.000 1.353 51 I CB -0.316 37.594 38.000 -0.150 0.000 1.054 51 I HN 0.186 nan 8.210 nan 0.000 0.407 52 K N 1.880 121.733 120.400 -0.911 0.000 2.147 52 K HA -0.097 4.221 4.320 -0.003 0.000 0.205 52 K C 2.053 178.227 176.600 -0.709 0.000 1.049 52 K CA 1.432 56.871 56.287 -1.413 0.000 0.936 52 K CB -0.374 30.849 32.500 -2.129 0.000 0.722 52 K HN 0.237 nan 8.250 nan 0.000 0.446 53 A N 1.596 124.137 122.820 -0.464 0.000 2.019 53 A HA -0.146 4.172 4.320 -0.003 0.000 0.219 53 A C 1.809 179.292 177.584 -0.169 0.000 1.164 53 A CA 1.283 53.164 52.037 -0.261 0.000 0.644 53 A CB -0.309 18.571 19.000 -0.199 0.000 0.805 53 A HN 0.538 nan 8.150 nan 0.000 0.449 54 Q N -1.242 118.455 119.800 -0.171 0.000 2.319 54 Q HA 0.311 4.649 4.340 -0.003 0.000 0.202 54 Q C 0.017 175.991 176.000 -0.043 0.000 0.896 54 Q CA 0.155 55.900 55.803 -0.097 0.000 0.942 54 Q CB 0.378 29.055 28.738 -0.101 0.000 1.083 54 Q HN 0.578 nan 8.270 nan 0.000 0.510 55 L N 1.235 122.449 121.223 -0.016 0.000 3.186 55 L HA 0.274 4.612 4.340 -0.003 0.000 0.292 55 L C -0.092 176.998 176.870 0.366 0.000 1.303 55 L CA -0.443 54.488 54.840 0.152 0.000 0.940 55 L CB 0.319 42.471 42.059 0.156 0.000 1.358 55 L HN -0.014 nan 8.230 nan 0.000 0.581 56 N N 2.246 121.074 118.700 0.213 0.000 2.895 56 N HA 0.148 4.887 4.740 -0.003 0.000 0.277 56 N C -0.821 174.842 175.510 0.256 0.000 1.185 56 N CA 0.031 53.213 53.050 0.220 0.000 1.106 56 N CB -0.152 38.402 38.487 0.111 0.000 1.422 56 N HN 0.407 nan 8.380 nan 0.000 0.521 57 Y N 0.017 120.284 120.300 -0.056 0.000 2.725 57 Y HA 0.289 4.837 4.550 -0.003 0.000 0.333 57 Y C 1.211 176.988 175.900 -0.205 0.000 1.242 57 Y CA -1.410 56.621 58.100 -0.115 0.000 1.059 57 Y CB 0.154 38.477 38.460 -0.229 0.000 1.306 57 Y HN 0.060 nan 8.280 nan 0.000 0.454 58 W N 0.225 121.315 121.300 -0.351 0.000 2.304 58 W HA -0.233 4.426 4.660 -0.002 0.000 0.315 58 W C 1.480 177.671 176.519 -0.546 0.000 1.233 58 W CA 2.193 59.321 57.345 -0.361 0.000 1.261 58 W CB -1.538 27.810 29.460 -0.186 0.000 1.150 58 W HN 0.606 nan 8.180 nan 0.000 0.494 59 S N 1.094 115.576 115.700 -2.030 0.000 2.423 59 S HA 0.102 4.570 4.470 -0.003 0.000 0.231 59 S C 1.965 176.099 174.600 -0.777 0.000 1.014 59 S CA 1.749 59.060 58.200 -1.482 0.000 0.965 59 S CB -0.424 61.701 63.200 -1.791 0.000 0.785 59 S HN 0.378 nan 8.310 nan 0.000 0.495 60 A N -0.024 122.208 122.820 -0.979 0.000 2.259 60 A HA 0.388 4.706 4.320 -0.003 0.000 0.213 60 A C 1.841 178.861 177.584 -0.939 0.000 1.209 60 A CA -0.035 51.438 52.037 -0.941 0.000 0.910 60 A CB -0.143 18.198 19.000 -1.098 0.000 0.946 60 A HN 0.381 nan 8.150 nan 0.000 0.497 61 K N 0.968 121.073 120.400 -0.492 0.000 2.034 61 K HA -0.213 4.105 4.320 -0.003 0.000 0.214 61 K C 2.390 178.872 176.600 -0.197 0.000 1.051 61 K CA 2.100 58.264 56.287 -0.205 0.000 0.931 61 K CB -0.193 32.255 32.500 -0.086 0.000 0.715 61 K HN 0.633 nan 8.250 nan 0.000 0.446 62 S N 1.060 116.628 115.700 -0.221 0.000 2.399 62 S HA -0.168 4.301 4.470 -0.003 0.000 0.231 62 S C 1.971 176.459 174.600 -0.187 0.000 1.022 62 S CA 1.157 59.261 58.200 -0.159 0.000 0.983 62 S CB -0.343 62.769 63.200 -0.147 0.000 0.803 62 S HN 0.281 nan 8.310 nan 0.000 0.480 63 L N 0.784 121.790 121.223 -0.362 0.000 2.027 63 L HA 0.200 4.538 4.340 -0.003 0.000 0.206 63 L C 2.248 179.085 176.870 -0.055 0.000 1.074 63 L CA 1.482 56.119 54.840 -0.338 0.000 0.745 63 L CB -0.998 40.707 42.059 -0.590 0.000 0.898 63 L HN 0.474 nan 8.230 nan 0.000 0.433 64 W N -0.431 120.915 121.300 0.076 0.000 2.342 64 W HA -0.172 4.487 4.660 -0.002 0.000 0.297 64 W C 2.508 179.089 176.519 0.104 0.000 1.213 64 W CA 0.414 57.836 57.345 0.127 0.000 1.251 64 W CB -0.608 28.876 29.460 0.039 0.000 1.136 64 W HN 0.286 nan 8.180 nan 0.000 0.526 65 A N 1.150 124.113 122.820 0.237 0.000 1.902 65 A HA -0.213 4.105 4.320 -0.003 0.000 0.217 65 A C 1.904 179.563 177.584 0.124 0.000 1.181 65 A CA 1.883 54.009 52.037 0.148 0.000 0.623 65 A CB -0.657 18.389 19.000 0.077 0.000 0.818 65 A HN 0.291 nan 8.150 nan 0.000 0.443 66 K N -0.446 120.008 120.400 0.090 0.000 2.026 66 K HA -0.019 4.299 4.320 -0.003 0.000 0.208 66 K C 1.878 178.540 176.600 0.103 0.000 1.048 66 K CA 1.425 57.750 56.287 0.064 0.000 0.929 66 K CB -0.391 32.112 32.500 0.005 0.000 0.713 66 K HN 0.454 nan 8.250 nan 0.000 0.439 67 L N 1.077 122.404 121.223 0.173 0.000 2.093 67 L HA -0.187 4.151 4.340 -0.003 0.000 0.208 67 L C 1.818 178.779 176.870 0.151 0.000 1.085 67 L CA 0.955 55.880 54.840 0.143 0.000 0.755 67 L CB -0.409 41.754 42.059 0.172 0.000 0.904 67 L HN 0.147 nan 8.230 nan 0.000 0.435 68 D N 0.165 120.720 120.400 0.259 0.000 2.117 68 D HA -0.205 4.434 4.640 -0.003 0.000 0.197 68 D C 2.095 178.480 176.300 0.141 0.000 0.987 68 D CA 1.123 55.256 54.000 0.222 0.000 0.829 68 D CB -0.027 40.897 40.800 0.207 0.000 0.961 68 D HN 0.205 nan 8.370 nan 0.000 0.460 69 K N 0.490 120.963 120.400 0.122 0.000 2.057 69 K HA -0.185 4.133 4.320 -0.003 0.000 0.207 69 K C 2.169 178.835 176.600 0.111 0.000 1.049 69 K CA 1.076 57.424 56.287 0.102 0.000 0.931 69 K CB 0.147 32.698 32.500 0.086 0.000 0.714 69 K HN -0.131 nan 8.250 nan 0.000 0.440 70 R N 0.504 121.064 120.500 0.099 0.000 2.066 70 R HA -0.022 4.317 4.340 -0.003 0.000 0.232 70 R C 2.030 178.403 176.300 0.121 0.000 1.131 70 R CA 1.736 57.904 56.100 0.112 0.000 0.955 70 R CB -0.714 29.617 30.300 0.051 0.000 0.851 70 R HN 0.281 nan 8.270 nan 0.000 0.432 71 A N -0.079 122.751 122.820 0.016 0.000 2.024 71 A HA -0.159 4.159 4.320 -0.003 0.000 0.220 71 A C 2.031 179.707 177.584 0.154 0.000 1.164 71 A CA 1.880 53.896 52.037 -0.035 0.000 0.643 71 A CB -0.759 18.238 19.000 -0.005 0.000 0.806 71 A HN 0.585 nan 8.150 nan 0.000 0.451 72 S N -0.722 115.077 115.700 0.165 0.000 2.603 72 S HA 0.070 4.538 4.470 -0.003 0.000 0.220 72 S C 0.656 175.360 174.600 0.173 0.000 0.967 72 S CA -0.239 58.055 58.200 0.157 0.000 0.920 72 S CB -0.345 62.920 63.200 0.110 0.000 0.773 72 S HN 0.645 nan 8.310 nan 0.000 0.529 73 Q N 1.970 121.914 119.800 0.240 0.000 2.330 73 Q HA 0.127 4.466 4.340 -0.003 0.000 0.279 73 Q C -1.661 174.392 176.000 0.088 0.000 1.024 73 Q CA -1.413 54.480 55.803 0.151 0.000 0.900 73 Q CB 0.407 29.228 28.738 0.138 0.000 1.221 73 Q HN 0.209 nan 8.270 nan 0.000 0.396 74 P HA -0.194 nan 4.420 nan 0.000 0.219 74 P C 1.216 178.499 177.300 -0.028 0.000 1.146 74 P CA 0.727 63.837 63.100 0.015 0.000 0.808 74 P CB 0.153 31.858 31.700 0.009 0.000 0.779 75 V N -1.436 118.388 119.914 -0.150 0.000 2.568 75 V HA -0.249 3.870 4.120 -0.003 0.000 0.253 75 V C 1.581 177.553 176.094 -0.202 0.000 1.072 75 V CA 1.861 64.037 62.300 -0.207 0.000 1.084 75 V CB -1.091 30.542 31.823 -0.318 0.000 0.676 75 V HN 0.065 nan 8.190 nan 0.000 0.469 76 Y N -0.056 120.279 120.300 0.059 0.000 2.523 76 Y HA 0.236 4.784 4.550 -0.003 0.000 0.279 76 Y C 1.591 177.518 175.900 0.044 0.000 1.139 76 Y CA -0.027 58.103 58.100 0.049 0.000 1.296 76 Y CB -0.525 37.962 38.460 0.045 0.000 1.045 76 Y HN 0.378 nan 8.280 nan 0.000 0.538 77 Q N 0.422 120.313 119.800 0.151 0.000 2.435 77 Q HA -0.359 3.979 4.340 -0.003 0.000 0.312 77 Q C -0.353 175.719 176.000 0.121 0.000 1.333 77 Q CA 0.580 56.446 55.803 0.105 0.000 0.883 77 Q CB -1.801 26.979 28.738 0.070 0.000 1.170 77 Q HN 0.460 nan 8.270 nan 0.000 0.443 78 Q N -2.445 117.445 119.800 0.151 0.000 2.457 78 Q HA -0.265 4.073 4.340 -0.003 0.000 0.283 78 Q C 0.904 176.986 176.000 0.136 0.000 1.234 78 Q CA 2.104 57.991 55.803 0.140 0.000 0.877 78 Q CB -1.995 26.806 28.738 0.105 0.000 1.250 78 Q HN 1.097 nan 8.270 nan 0.000 0.481 79 G N -1.740 107.143 108.800 0.139 0.000 2.159 79 G HA2 -0.352 3.606 3.960 -0.003 0.000 0.256 79 G HA3 -0.352 3.606 3.960 -0.003 0.000 0.256 79 G C 0.622 175.574 174.900 0.087 0.000 0.977 79 G CA 0.394 45.554 45.100 0.100 0.000 0.652 79 G HN 0.294 nan 8.290 nan 0.000 0.531 80 Q N -0.428 119.426 119.800 0.090 0.000 2.402 80 Q HA 0.411 4.750 4.340 -0.003 0.000 0.206 80 Q C 2.818 178.853 176.000 0.059 0.000 0.919 80 Q CA 1.275 57.118 55.803 0.066 0.000 0.923 80 Q CB -0.256 28.516 28.738 0.056 0.000 1.048 80 Q HN 0.849 nan 8.270 nan 0.000 0.515 81 A N -0.020 122.844 122.820 0.075 0.000 1.908 81 A HA -0.166 4.153 4.320 -0.003 0.000 0.218 81 A C 1.704 179.315 177.584 0.046 0.000 1.181 81 A CA 1.488 53.557 52.037 0.054 0.000 0.627 81 A CB -0.306 18.737 19.000 0.071 0.000 0.818 81 A HN 0.414 nan 8.150 nan 0.000 0.445 82 C N -1.687 117.653 119.300 0.067 0.000 2.859 82 C HA 0.333 4.791 4.460 -0.003 0.000 0.256 82 C C 2.104 177.136 174.990 0.070 0.000 1.660 82 C CA 0.012 59.073 59.018 0.072 0.000 1.755 82 C CB -1.288 26.505 27.740 0.089 0.000 3.127 82 C HN 0.682 nan 8.230 nan 0.000 0.494 83 T N 0.646 115.235 114.554 0.058 0.000 2.849 83 T HA -0.161 4.188 4.350 -0.003 0.000 0.270 83 T C 1.175 175.909 174.700 0.057 0.000 1.066 83 T CA 1.892 64.025 62.100 0.054 0.000 1.130 83 T CB -0.346 68.549 68.868 0.045 0.000 0.864 83 T HN 0.732 nan 8.240 nan 0.000 0.481 84 N N -0.179 118.555 118.700 0.056 0.000 2.203 84 N HA 0.122 4.861 4.740 -0.003 0.000 0.207 84 N C -0.580 174.981 175.510 0.085 0.000 1.130 84 N CA -0.237 52.849 53.050 0.060 0.000 0.861 84 N CB 0.660 39.170 38.487 0.038 0.000 1.005 84 N HN 0.197 nan 8.380 nan 0.000 0.507 85 T N 1.115 115.732 114.554 0.105 0.000 2.832 85 T HA 0.216 4.564 4.350 -0.003 0.000 0.296 85 T C -0.005 174.787 174.700 0.153 0.000 0.968 85 T CA 0.173 62.363 62.100 0.150 0.000 1.107 85 T CB 1.192 70.161 68.868 0.169 0.000 0.916 85 T HN -0.033 nan 8.240 nan 0.000 0.517 86 K N 2.148 122.654 120.400 0.176 0.000 2.307 86 K HA 0.558 4.877 4.320 -0.003 0.000 0.263 86 K C -0.968 175.777 176.600 0.241 0.000 0.973 86 K CA -0.604 55.810 56.287 0.212 0.000 0.846 86 K CB 1.155 33.743 32.500 0.146 0.000 1.100 86 K HN 0.581 nan 8.250 nan 0.000 0.438 87 C N 2.834 122.286 119.300 0.253 0.000 2.493 87 C HA 0.564 5.022 4.460 -0.003 0.000 0.326 87 C C -0.838 174.230 174.990 0.130 0.000 1.200 87 C CA -1.005 58.100 59.018 0.145 0.000 1.739 87 C CB 0.628 28.398 27.740 0.051 0.000 2.300 87 C HN 0.689 nan 8.230 nan 0.000 0.500 88 L N 2.960 124.079 121.223 -0.173 0.000 2.325 88 L HA 0.760 5.098 4.340 -0.003 0.000 0.281 88 L C -0.694 175.970 176.870 -0.344 0.000 1.004 88 L CA 0.034 54.658 54.840 -0.360 0.000 0.823 88 L CB 1.363 42.823 42.059 -0.998 0.000 1.236 88 L HN 0.562 nan 8.230 nan 0.000 0.415 89 V N 5.620 125.377 119.914 -0.263 0.000 2.435 89 V HA 0.502 4.620 4.120 -0.003 0.000 0.290 89 V C -0.375 175.545 176.094 -0.289 0.000 1.030 89 V CA -0.736 61.411 62.300 -0.254 0.000 0.881 89 V CB 1.825 33.535 31.823 -0.188 0.000 0.983 89 V HN 0.492 nan 8.190 nan 0.000 0.445 90 V N 3.778 123.502 119.914 -0.315 0.000 2.311 90 V HA 0.881 4.999 4.120 -0.003 0.000 0.275 90 V C 0.509 176.479 176.094 -0.206 0.000 1.022 90 V CA 0.226 62.341 62.300 -0.308 0.000 0.830 90 V CB 0.588 32.145 31.823 -0.442 0.000 1.012 90 V HN 1.299 nan 8.190 nan 0.000 0.452 91 G N 3.994 112.683 108.800 -0.185 0.000 3.187 91 G HA2 0.316 4.275 3.960 -0.003 0.000 0.682 91 G HA3 0.316 4.275 3.960 -0.003 0.000 0.682 91 G C -0.198 174.622 174.900 -0.134 0.000 1.266 91 G CA -0.316 44.705 45.100 -0.131 0.000 0.902 91 G HN 1.350 nan 8.290 nan 0.000 0.589 92 A N 1.618 124.375 122.820 -0.106 0.000 2.833 92 A HA 0.743 5.061 4.320 -0.003 0.000 0.293 92 A C 1.432 179.008 177.584 -0.014 0.000 1.338 92 A CA 1.074 53.077 52.037 -0.056 0.000 0.959 92 A CB -0.310 18.669 19.000 -0.035 0.000 1.094 92 A HN 2.092 nan 8.150 nan 0.000 0.569 93 G N -0.070 108.695 108.800 -0.059 0.000 2.621 93 G HA2 0.390 4.348 3.960 -0.003 0.000 0.271 93 G HA3 0.390 4.348 3.960 -0.003 0.000 0.271 93 G C -1.264 173.558 174.900 -0.130 0.000 1.236 93 G CA -1.014 44.024 45.100 -0.103 0.000 0.958 93 G HN 0.151 nan 8.290 nan 0.000 0.512 94 P HA -0.098 nan 4.420 nan 0.000 0.216 94 P C 1.828 179.144 177.300 0.028 0.000 1.153 94 P CA 1.273 64.343 63.100 -0.050 0.000 0.858 94 P CB 0.122 31.804 31.700 -0.029 0.000 0.789 95 C N -1.500 117.809 119.300 0.015 0.000 2.486 95 C HA 0.080 4.538 4.460 -0.003 0.000 0.279 95 C C 2.950 177.887 174.990 -0.088 0.000 1.302 95 C CA 1.118 60.138 59.018 0.003 0.000 1.720 95 C CB -1.888 25.855 27.740 0.004 0.000 2.030 95 C HN 0.281 nan 8.230 nan 0.000 0.490 96 G N 0.974 109.718 108.800 -0.094 0.000 2.446 96 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.217 96 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.217 96 G C 1.553 176.375 174.900 -0.131 0.000 1.168 96 G CA 0.840 45.869 45.100 -0.119 0.000 0.771 96 G HN 0.518 nan 8.290 nan 0.000 0.551 97 L N -0.382 120.764 121.223 -0.129 0.000 2.017 97 L HA -0.016 4.322 4.340 -0.003 0.000 0.208 97 L C 2.911 179.682 176.870 -0.164 0.000 1.073 97 L CA 1.259 56.019 54.840 -0.135 0.000 0.745 97 L CB -0.341 41.642 42.059 -0.126 0.000 0.894 97 L HN 0.120 nan 8.230 nan 0.000 0.432 98 R N 0.561 120.927 120.500 -0.224 0.000 2.096 98 R HA -0.135 4.203 4.340 -0.003 0.000 0.235 98 R C 2.218 178.390 176.300 -0.213 0.000 1.127 98 R CA 1.617 57.509 56.100 -0.347 0.000 0.968 98 R CB -0.627 29.177 30.300 -0.827 0.000 0.861 98 R HN 0.348 nan 8.270 nan 0.000 0.440 99 A N 0.120 122.840 122.820 -0.165 0.000 1.877 99 A HA -0.064 4.255 4.320 -0.003 0.000 0.216 99 A C 2.374 179.919 177.584 -0.065 0.000 1.186 99 A CA 1.808 53.794 52.037 -0.085 0.000 0.620 99 A CB -1.129 17.817 19.000 -0.090 0.000 0.822 99 A HN 0.464 nan 8.150 nan 0.000 0.443 100 A N -0.494 122.269 122.820 -0.096 0.000 1.908 100 A HA -0.057 4.261 4.320 -0.003 0.000 0.218 100 A C 2.240 179.776 177.584 -0.080 0.000 1.181 100 A CA 1.933 53.917 52.037 -0.088 0.000 0.627 100 A CB -1.062 17.873 19.000 -0.109 0.000 0.818 100 A HN 0.429 nan 8.150 nan 0.000 0.445 101 V N 0.233 120.090 119.914 -0.095 0.000 2.287 101 V HA -0.252 3.867 4.120 -0.003 0.000 0.248 101 V C 2.632 178.677 176.094 -0.083 0.000 1.053 101 V CA 2.265 64.504 62.300 -0.101 0.000 1.027 101 V CB -0.732 31.024 31.823 -0.111 0.000 0.646 101 V HN 0.521 nan 8.190 nan 0.000 0.447 102 E N 0.018 120.209 120.200 -0.016 0.000 2.077 102 E HA -0.147 4.202 4.350 -0.003 0.000 0.193 102 E C 2.213 178.848 176.600 0.058 0.000 0.989 102 E CA 1.137 57.575 56.400 0.063 0.000 0.800 102 E CB -0.390 29.419 29.700 0.182 0.000 0.746 102 E HN 0.532 nan 8.360 nan 0.000 0.452 103 L N 0.413 121.655 121.223 0.032 0.000 2.083 103 L HA -0.162 4.176 4.340 -0.003 0.000 0.209 103 L C 2.497 179.369 176.870 0.004 0.000 1.083 103 L CA 1.107 55.967 54.840 0.032 0.000 0.752 103 L CB -0.511 41.554 42.059 0.011 0.000 0.899 103 L HN 0.057 nan 8.230 nan 0.000 0.433 104 A N 0.204 122.998 122.820 -0.043 0.000 1.902 104 A HA -0.148 4.170 4.320 -0.003 0.000 0.217 104 A C 2.230 179.744 177.584 -0.116 0.000 1.181 104 A CA 1.353 53.347 52.037 -0.072 0.000 0.623 104 A CB -0.671 18.270 19.000 -0.098 0.000 0.818 104 A HN 0.359 nan 8.150 nan 0.000 0.443 105 L N -0.706 120.390 121.223 -0.212 0.000 2.141 105 L HA -0.113 4.226 4.340 -0.003 0.000 0.209 105 L C 2.268 179.002 176.870 -0.226 0.000 1.094 105 L CA 0.678 55.259 54.840 -0.432 0.000 0.763 105 L CB -0.404 41.072 42.059 -0.972 0.000 0.908 105 L HN 0.347 nan 8.230 nan 0.000 0.437 106 L N -0.496 120.747 121.223 0.034 0.000 2.376 106 L HA -0.003 4.336 4.340 -0.003 0.000 0.219 106 L C 1.526 178.461 176.870 0.108 0.000 1.133 106 L CA 0.828 55.790 54.840 0.204 0.000 0.816 106 L CB -0.387 41.791 42.059 0.198 0.000 0.933 106 L HN 0.523 nan 8.230 nan 0.000 0.449 107 G N -0.729 108.099 108.800 0.046 0.000 2.159 107 G HA2 -0.205 3.753 3.960 -0.003 0.000 0.227 107 G HA3 -0.205 3.753 3.960 -0.003 0.000 0.227 107 G C 0.327 175.255 174.900 0.047 0.000 0.986 107 G CA -0.108 45.016 45.100 0.040 0.000 0.651 107 G HN 0.478 nan 8.290 nan 0.000 0.523 108 A N -0.133 122.719 122.820 0.053 0.000 2.332 108 A HA 0.733 5.051 4.320 -0.003 0.000 0.258 108 A C 0.781 178.405 177.584 0.067 0.000 1.087 108 A CA 0.407 52.487 52.037 0.071 0.000 0.802 108 A CB 0.330 19.377 19.000 0.078 0.000 1.042 108 A HN 0.805 nan 8.150 nan 0.000 0.489 109 R N 0.751 121.311 120.500 0.101 0.000 2.347 109 R HA 0.451 4.789 4.340 -0.003 0.000 0.304 109 R C -1.498 174.875 176.300 0.122 0.000 1.072 109 R CA -0.053 56.116 56.100 0.116 0.000 0.980 109 R CB 0.293 30.703 30.300 0.183 0.000 0.986 109 R HN 0.426 nan 8.270 nan 0.000 0.448 110 V N 5.793 125.741 119.914 0.055 0.000 2.443 110 V HA 0.311 4.429 4.120 -0.003 0.000 0.293 110 V C -0.534 175.531 176.094 -0.048 0.000 1.021 110 V CA -0.826 61.484 62.300 0.016 0.000 0.848 110 V CB 1.684 33.494 31.823 -0.021 0.000 0.998 110 V HN 0.505 nan 8.190 nan 0.000 0.424 111 V N 6.226 126.090 119.914 -0.083 0.000 2.459 111 V HA 0.578 4.696 4.120 -0.003 0.000 0.295 111 V C -0.348 175.655 176.094 -0.152 0.000 1.029 111 V CA -0.571 61.618 62.300 -0.185 0.000 0.874 111 V CB 1.964 33.473 31.823 -0.524 0.000 0.985 111 V HN 0.738 nan 8.190 nan 0.000 0.438 112 L N 5.989 127.122 121.223 -0.149 0.000 2.386 112 L HA 0.846 5.185 4.340 -0.003 0.000 0.271 112 L C -0.740 175.997 176.870 -0.221 0.000 0.993 112 L CA -0.636 54.082 54.840 -0.202 0.000 0.819 112 L CB 2.081 44.002 42.059 -0.230 0.000 1.294 112 L HN 0.603 nan 8.230 nan 0.000 0.414 113 V N 0.929 120.705 119.914 -0.229 0.000 2.555 113 V HA 0.802 4.920 4.120 -0.003 0.000 0.302 113 V C -0.893 175.052 176.094 -0.249 0.000 1.038 113 V CA -0.510 61.666 62.300 -0.206 0.000 0.887 113 V CB 1.591 33.349 31.823 -0.110 0.000 0.991 113 V HN 0.834 nan 8.190 nan 0.000 0.434 114 E N 3.274 123.305 120.200 -0.281 0.000 2.256 114 E HA 0.426 4.774 4.350 -0.003 0.000 0.268 114 E C 0.517 177.086 176.600 -0.051 0.000 0.877 114 E CA -0.413 55.862 56.400 -0.208 0.000 0.757 114 E CB 2.342 31.814 29.700 -0.381 0.000 1.183 114 E HN 0.829 nan 8.360 nan 0.000 0.418 115 K N 3.479 123.875 120.400 -0.007 0.000 2.228 115 K HA 0.139 4.457 4.320 -0.003 0.000 0.202 115 K C 0.397 177.047 176.600 0.084 0.000 1.051 115 K CA 0.352 56.655 56.287 0.028 0.000 0.960 115 K CB 0.286 32.786 32.500 -0.000 0.000 0.743 115 K HN 0.283 nan 8.250 nan 0.000 0.458 116 R N 0.745 121.321 120.500 0.127 0.000 2.541 116 R HA 0.303 4.641 4.340 -0.003 0.000 0.263 116 R C 1.305 177.746 176.300 0.235 0.000 1.112 116 R CA -0.094 56.098 56.100 0.153 0.000 1.170 116 R CB 0.607 31.000 30.300 0.154 0.000 1.167 116 R HN 0.320 nan 8.270 nan 0.000 0.582 117 I N -2.856 117.781 120.570 0.111 0.000 4.338 117 I HA 0.265 4.433 4.170 -0.003 0.000 0.329 117 I C -0.274 175.687 176.117 -0.260 0.000 1.378 117 I CA -0.323 60.968 61.300 -0.015 0.000 1.170 117 I CB 0.394 38.371 38.000 -0.038 0.000 1.206 117 I HN 0.406 nan 8.210 nan 0.000 0.432 118 K N 0.740 121.031 120.400 -0.182 0.000 2.509 118 K HA 0.509 4.827 4.320 -0.003 0.000 0.266 118 K C -1.676 174.844 176.600 -0.134 0.000 0.987 118 K CA -0.709 55.401 56.287 -0.296 0.000 0.868 118 K CB 1.790 34.191 32.500 -0.165 0.000 1.421 118 K HN -0.162 nan 8.250 nan 0.000 0.444 119 F N 1.926 121.831 119.950 -0.076 0.000 2.308 119 F HA 0.240 4.766 4.527 -0.003 0.000 0.370 119 F C 0.992 176.716 175.800 -0.126 0.000 1.100 119 F CA -1.083 56.869 58.000 -0.081 0.000 1.108 119 F CB 1.398 40.331 39.000 -0.110 0.000 1.293 119 F HN 0.756 nan 8.300 nan 0.000 0.478 120 S N 1.342 117.091 115.700 0.081 0.000 2.524 120 S HA 0.239 4.707 4.470 -0.003 0.000 0.215 120 S C 0.690 175.236 174.600 -0.091 0.000 0.986 120 S CA -0.420 57.784 58.200 0.008 0.000 0.911 120 S CB 0.068 63.312 63.200 0.074 0.000 0.805 120 S HN 0.442 nan 8.310 nan 0.000 0.501 121 R N 0.993 121.421 120.500 -0.121 0.000 2.265 121 R HA 0.384 4.722 4.340 -0.003 0.000 0.314 121 R C -0.199 175.936 176.300 -0.276 0.000 1.053 121 R CA -0.152 55.883 56.100 -0.107 0.000 0.931 121 R CB 0.338 30.592 30.300 -0.076 0.000 1.024 121 R HN 0.406 nan 8.270 nan 0.000 0.457 122 H N -0.319 118.758 119.070 0.010 0.000 2.622 122 H HA 0.140 4.694 4.556 -0.003 0.000 0.269 122 H C -0.043 175.273 175.328 -0.020 0.000 0.977 122 H CA -0.229 55.821 56.048 0.003 0.000 1.179 122 H CB 0.252 30.045 29.762 0.052 0.000 1.458 122 H HN 0.400 nan 8.280 nan 0.000 0.531 123 N N 0.861 119.592 118.700 0.053 0.000 2.344 123 N HA 0.025 4.764 4.740 -0.003 0.000 0.236 123 N C -0.472 174.811 175.510 -0.378 0.000 1.279 123 N CA 0.144 53.151 53.050 -0.071 0.000 0.882 123 N CB 0.833 39.286 38.487 -0.056 0.000 1.110 123 N HN -0.060 nan 8.380 nan 0.000 0.436 124 V N 2.315 121.694 119.914 -0.891 0.000 2.459 124 V HA 0.388 4.506 4.120 -0.003 0.000 0.295 124 V C 0.138 175.889 176.094 -0.572 0.000 1.029 124 V CA -0.715 61.148 62.300 -0.728 0.000 0.874 124 V CB 1.192 32.567 31.823 -0.747 0.000 0.985 124 V HN 0.353 nan 8.190 nan 0.000 0.438 125 L N 3.767 124.774 121.223 -0.359 0.000 2.309 125 L HA 0.530 4.868 4.340 -0.003 0.000 0.282 125 L C -0.089 176.648 176.870 -0.221 0.000 1.036 125 L CA -0.818 53.863 54.840 -0.264 0.000 0.806 125 L CB 1.292 43.174 42.059 -0.294 0.000 1.220 125 L HN 0.679 nan 8.230 nan 0.000 0.429 126 H N 3.338 122.286 119.070 -0.203 0.000 2.732 126 H HA 0.440 4.994 4.556 -0.003 0.000 0.351 126 H C -1.064 174.159 175.328 -0.176 0.000 1.090 126 H CA 0.138 56.068 56.048 -0.195 0.000 1.431 126 H CB 0.715 30.491 29.762 0.022 0.000 1.447 126 H HN 0.377 nan 8.280 nan 0.000 0.582 127 L N 5.009 125.721 121.223 -0.853 0.000 2.356 127 L HA 0.241 4.579 4.340 -0.003 0.000 0.277 127 L C -0.586 175.928 176.870 -0.594 0.000 0.996 127 L CA -1.032 53.417 54.840 -0.652 0.000 0.822 127 L CB 1.068 42.846 42.059 -0.469 0.000 1.256 127 L HN 0.566 nan 8.230 nan 0.000 0.413 128 W N 3.300 124.268 121.300 -0.554 0.000 2.126 128 W HA 0.249 4.908 4.660 -0.003 0.000 0.346 128 W C -1.391 174.968 176.519 -0.267 0.000 1.279 128 W CA -1.832 55.344 57.345 -0.283 0.000 1.259 128 W CB -0.395 29.020 29.460 -0.076 0.000 1.133 128 W HN 0.332 nan 8.180 nan 0.000 0.592 129 P HA -0.276 nan 4.420 nan 0.000 0.216 129 P C 1.623 178.972 177.300 0.082 0.000 1.154 129 P CA 2.130 65.262 63.100 0.054 0.000 0.865 129 P CB -0.245 31.488 31.700 0.055 0.000 0.789 130 F N -1.171 118.836 119.950 0.095 0.000 2.234 130 F HA -0.090 4.435 4.527 -0.003 0.000 0.299 130 F C 2.080 177.998 175.800 0.198 0.000 1.087 130 F CA 1.723 59.748 58.000 0.042 0.000 1.340 130 F CB -1.796 37.205 39.000 0.002 0.000 1.031 130 F HN -0.149 nan 8.300 nan 0.000 0.500 131 T N 0.480 114.593 114.554 -0.736 0.000 2.942 131 T HA 0.021 4.369 4.350 -0.003 0.000 0.265 131 T C 1.924 176.593 174.700 -0.052 0.000 1.062 131 T CA 1.494 63.279 62.100 -0.526 0.000 1.139 131 T CB -0.544 67.780 68.868 -0.907 0.000 0.883 131 T HN 0.425 nan 8.240 nan 0.000 0.468 132 I N 0.572 121.126 120.570 -0.026 0.000 2.179 132 I HA -0.151 4.018 4.170 -0.003 0.000 0.242 132 I C 2.628 178.879 176.117 0.223 0.000 1.088 132 I CA 1.577 62.964 61.300 0.144 0.000 1.357 132 I CB -0.629 37.363 38.000 -0.013 0.000 1.051 132 I HN 0.396 nan 8.210 nan 0.000 0.409 133 H N 1.024 120.150 119.070 0.092 0.000 2.353 133 H HA -0.237 4.317 4.556 -0.003 0.000 0.300 133 H C 1.779 177.177 175.328 0.117 0.000 1.090 133 H CA 2.395 58.499 56.048 0.093 0.000 1.327 133 H CB -0.106 29.688 29.762 0.054 0.000 1.383 133 H HN 0.348 nan 8.280 nan 0.000 0.508 134 D N 0.123 120.699 120.400 0.293 0.000 2.104 134 D HA -0.143 4.495 4.640 -0.003 0.000 0.194 134 D C 2.680 179.050 176.300 0.117 0.000 0.994 134 D CA 1.352 55.525 54.000 0.288 0.000 0.830 134 D CB -0.262 40.822 40.800 0.474 0.000 0.959 134 D HN 0.377 nan 8.370 nan 0.000 0.452 135 L N -0.311 120.963 121.223 0.085 0.000 2.072 135 L HA -0.027 4.311 4.340 -0.003 0.000 0.205 135 L C 2.785 179.478 176.870 -0.295 0.000 1.079 135 L CA 0.834 55.604 54.840 -0.117 0.000 0.752 135 L CB -0.348 41.584 42.059 -0.211 0.000 0.906 135 L HN 0.017 nan 8.230 nan 0.000 0.436 136 R N 0.101 120.462 120.500 -0.232 0.000 2.105 136 R HA -0.146 4.192 4.340 -0.003 0.000 0.239 136 R C 2.260 178.440 176.300 -0.200 0.000 1.135 136 R CA 1.387 57.357 56.100 -0.217 0.000 0.967 136 R CB -0.472 29.769 30.300 -0.099 0.000 0.861 136 R HN 0.338 nan 8.270 nan 0.000 0.442 137 A N 0.708 123.404 122.820 -0.206 0.000 2.168 137 A HA -0.019 4.299 4.320 -0.003 0.000 0.215 137 A C 1.781 179.331 177.584 -0.056 0.000 1.152 137 A CA 0.791 52.745 52.037 -0.138 0.000 0.716 137 A CB -0.148 18.784 19.000 -0.113 0.000 0.794 137 A HN 0.183 nan 8.150 nan 0.000 0.465 138 L N -1.214 119.974 121.223 -0.057 0.000 2.628 138 L HA 0.254 4.593 4.340 -0.003 0.000 0.229 138 L C 1.376 178.258 176.870 0.021 0.000 1.137 138 L CA 0.452 55.287 54.840 -0.009 0.000 0.909 138 L CB -0.072 41.982 42.059 -0.009 0.000 1.137 138 L HN 0.519 nan 8.230 nan 0.000 0.470 139 G N -0.026 108.731 108.800 -0.071 0.000 2.149 139 G HA2 -0.305 3.653 3.960 -0.003 0.000 0.235 139 G HA3 -0.305 3.653 3.960 -0.003 0.000 0.235 139 G C 1.047 175.837 174.900 -0.182 0.000 1.018 139 G CA 0.358 45.367 45.100 -0.152 0.000 0.728 139 G HN 0.393 nan 8.290 nan 0.000 0.508 140 A N -0.122 122.575 122.820 -0.206 0.000 1.917 140 A HA -0.066 4.253 4.320 -0.003 0.000 0.219 140 A C 2.208 179.690 177.584 -0.170 0.000 1.182 140 A CA 2.506 54.365 52.037 -0.296 0.000 0.633 140 A CB -0.318 18.035 19.000 -1.079 0.000 0.819 140 A HN 0.640 nan 8.150 nan 0.000 0.448 141 K N -0.262 120.034 120.400 -0.173 0.000 2.148 141 K HA -0.100 4.218 4.320 -0.003 0.000 0.204 141 K C 1.973 178.484 176.600 -0.147 0.000 1.050 141 K CA 1.569 57.804 56.287 -0.086 0.000 0.942 141 K CB -0.107 32.356 32.500 -0.062 0.000 0.724 141 K HN 0.376 nan 8.250 nan 0.000 0.446 142 K N -0.425 119.796 120.400 -0.299 0.000 2.057 142 K HA -0.090 4.228 4.320 -0.003 0.000 0.207 142 K C 1.331 177.685 176.600 -0.410 0.000 1.049 142 K CA 1.620 57.640 56.287 -0.445 0.000 0.931 142 K CB -0.217 31.848 32.500 -0.725 0.000 0.714 142 K HN 0.106 nan 8.250 nan 0.000 0.440 143 F N -1.591 118.310 119.950 -0.083 0.000 2.530 143 F HA 0.175 4.700 4.527 -0.003 0.000 0.292 143 F C 0.344 176.169 175.800 0.041 0.000 1.109 143 F CA 0.094 58.044 58.000 -0.084 0.000 1.450 143 F CB 0.035 38.955 39.000 -0.133 0.000 1.114 143 F HN -0.082 nan 8.300 nan 0.000 0.560 144 Y N 0.165 120.507 120.300 0.070 0.000 2.373 144 Y HA 0.513 5.061 4.550 -0.003 0.000 0.327 144 Y C 0.912 176.851 175.900 0.066 0.000 1.036 144 Y CA -1.987 56.154 58.100 0.069 0.000 1.265 144 Y CB 1.115 39.638 38.460 0.104 0.000 1.108 144 Y HN 0.016 nan 8.280 nan 0.000 0.471 145 G N 4.020 112.788 108.800 -0.053 0.000 2.498 145 G HA2 -0.140 3.818 3.960 -0.003 0.000 0.219 145 G HA3 -0.140 3.818 3.960 -0.003 0.000 0.219 145 G C 1.304 176.036 174.900 -0.279 0.000 1.119 145 G CA 0.267 45.286 45.100 -0.134 0.000 0.766 145 G HN 0.559 nan 8.290 nan 0.000 0.552 146 R N -0.708 119.412 120.500 -0.633 0.000 2.359 146 R HA 0.162 4.500 4.340 -0.003 0.000 0.231 146 R C -0.118 175.772 176.300 -0.683 0.000 0.913 146 R CA -0.734 54.978 56.100 -0.647 0.000 1.075 146 R CB -0.091 29.806 30.300 -0.671 0.000 1.087 146 R HN 0.338 nan 8.270 nan 0.000 0.515 147 F N 1.211 120.730 119.950 -0.717 0.000 2.590 147 F HA -0.071 4.455 4.527 -0.003 0.000 0.389 147 F C 0.765 176.421 175.800 -0.241 0.000 1.049 147 F CA -0.213 57.571 58.000 -0.361 0.000 1.199 147 F CB 0.151 39.092 39.000 -0.098 0.000 1.058 147 F HN 0.156 nan 8.300 nan 0.000 0.556 148 C N 4.823 123.517 119.300 -1.009 0.000 3.069 148 C HA -0.226 4.233 4.460 -0.003 0.000 0.249 148 C C 0.612 175.328 174.990 -0.457 0.000 1.370 148 C CA 0.874 59.390 59.018 -0.837 0.000 2.276 148 C CB -3.166 23.915 27.740 -1.098 0.000 1.466 148 C HN 0.903 nan 8.230 nan 0.000 0.470 149 T N 1.141 115.483 114.554 -0.355 0.000 2.779 149 T HA 0.473 4.821 4.350 -0.003 0.000 0.296 149 T C 1.183 175.762 174.700 -0.201 0.000 0.938 149 T CA 1.255 63.218 62.100 -0.228 0.000 1.119 149 T CB 1.196 69.948 68.868 -0.194 0.000 0.891 149 T HN 1.570 nan 8.240 nan 0.000 0.526 150 G N 4.156 112.865 108.800 -0.151 0.000 2.596 150 G HA2 -0.299 3.659 3.960 -0.003 0.000 0.258 150 G HA3 -0.299 3.659 3.960 -0.003 0.000 0.258 150 G C 0.937 175.761 174.900 -0.127 0.000 1.207 150 G CA 0.180 45.209 45.100 -0.118 0.000 0.954 150 G HN 0.631 nan 8.290 nan 0.000 0.551 151 T N 2.054 116.534 114.554 -0.122 0.000 3.086 151 T HA 0.410 4.758 4.350 -0.003 0.000 0.250 151 T C 1.165 175.757 174.700 -0.181 0.000 1.074 151 T CA 0.204 62.234 62.100 -0.117 0.000 0.988 151 T CB -0.088 68.738 68.868 -0.071 0.000 0.988 151 T HN 0.423 nan 8.240 nan 0.000 0.530 152 L N 3.595 124.662 121.223 -0.260 0.000 2.462 152 L HA 0.153 4.492 4.340 -0.003 0.000 0.272 152 L C 0.067 176.600 176.870 -0.562 0.000 1.166 152 L CA -0.029 54.539 54.840 -0.454 0.000 0.880 152 L CB 0.286 42.033 42.059 -0.519 0.000 1.142 152 L HN 0.253 nan 8.230 nan 0.000 0.473 153 D N 1.440 121.460 120.400 -0.633 0.000 2.945 153 D HA 0.273 4.911 4.640 -0.003 0.000 0.369 153 D C -0.533 175.447 176.300 -0.534 0.000 1.294 153 D CA -0.509 53.188 54.000 -0.505 0.000 0.778 153 D CB 0.119 40.747 40.800 -0.288 0.000 1.188 153 D HN 0.616 nan 8.370 nan 0.000 0.479 154 H N -1.816 116.980 119.070 -0.456 0.000 3.014 154 H HA 0.749 5.304 4.556 -0.003 0.000 0.337 154 H C -1.568 173.549 175.328 -0.351 0.000 1.320 154 H CA -1.165 54.591 56.048 -0.487 0.000 1.128 154 H CB 1.630 30.954 29.762 -0.730 0.000 1.862 154 H HN 0.098 nan 8.280 nan 0.000 0.536 155 I N 1.251 121.754 120.570 -0.111 0.000 2.775 155 I HA 0.395 4.564 4.170 -0.003 0.000 0.295 155 I C -0.720 175.323 176.117 -0.122 0.000 1.287 155 I CA -0.658 60.611 61.300 -0.051 0.000 1.029 155 I CB 2.130 40.123 38.000 -0.012 0.000 1.282 155 I HN 1.010 nan 8.210 nan 0.000 0.426 156 S N 6.027 121.666 115.700 -0.103 0.000 2.572 156 S HA 0.253 4.721 4.470 -0.003 0.000 0.279 156 S C 1.231 175.698 174.600 -0.221 0.000 1.341 156 S CA -0.414 57.686 58.200 -0.166 0.000 1.043 156 S CB 0.991 64.131 63.200 -0.101 0.000 0.887 156 S HN 0.592 nan 8.310 nan 0.000 0.516 157 I N 2.163 122.585 120.570 -0.246 0.000 2.118 157 I HA -0.308 3.860 4.170 -0.003 0.000 0.241 157 I C 2.873 178.807 176.117 -0.305 0.000 1.070 157 I CA 2.183 63.322 61.300 -0.269 0.000 1.327 157 I CB -0.478 37.368 38.000 -0.257 0.000 1.034 157 I HN 0.832 nan 8.210 nan 0.000 0.405 158 R N 0.655 120.977 120.500 -0.297 0.000 2.115 158 R HA -0.158 4.181 4.340 -0.003 0.000 0.230 158 R C 2.018 178.126 176.300 -0.320 0.000 1.111 158 R CA 1.009 56.926 56.100 -0.305 0.000 0.976 158 R CB -0.523 29.634 30.300 -0.240 0.000 0.870 158 R HN 0.376 nan 8.270 nan 0.000 0.445 159 Q N 0.995 120.594 119.800 -0.335 0.000 2.119 159 Q HA -0.098 4.240 4.340 -0.003 0.000 0.201 159 Q C 2.157 177.924 176.000 -0.388 0.000 0.972 159 Q CA 0.975 56.502 55.803 -0.460 0.000 0.847 159 Q CB -0.290 27.988 28.738 -0.766 0.000 0.903 159 Q HN 0.305 nan 8.270 nan 0.000 0.433 160 L N 1.321 122.366 121.223 -0.297 0.000 2.046 160 L HA -0.199 4.139 4.340 -0.003 0.000 0.208 160 L C 2.190 178.886 176.870 -0.290 0.000 1.077 160 L CA 1.820 56.533 54.840 -0.213 0.000 0.747 160 L CB -0.592 41.368 42.059 -0.165 0.000 0.896 160 L HN 0.178 nan 8.230 nan 0.000 0.432 161 Q N -0.836 118.688 119.800 -0.461 0.000 2.096 161 Q HA -0.215 4.124 4.340 -0.003 0.000 0.204 161 Q C 2.301 177.977 176.000 -0.540 0.000 0.982 161 Q CA 1.963 57.321 55.803 -0.742 0.000 0.850 161 Q CB -0.306 27.480 28.738 -1.587 0.000 0.901 161 Q HN 0.522 nan 8.270 nan 0.000 0.422 162 L N 0.377 121.389 121.223 -0.351 0.000 2.017 162 L HA -0.218 4.121 4.340 -0.003 0.000 0.208 162 L C 2.390 179.107 176.870 -0.256 0.000 1.073 162 L CA 0.937 55.700 54.840 -0.129 0.000 0.745 162 L CB -0.633 41.353 42.059 -0.121 0.000 0.894 162 L HN 0.324 nan 8.230 nan 0.000 0.432 163 L N -2.035 119.020 121.223 -0.279 0.000 2.109 163 L HA -0.099 4.239 4.340 -0.003 0.000 0.207 163 L C 2.207 178.860 176.870 -0.362 0.000 1.086 163 L CA 1.526 56.164 54.840 -0.337 0.000 0.760 163 L CB -0.908 41.079 42.059 -0.121 0.000 0.910 163 L HN 0.050 nan 8.230 nan 0.000 0.437 164 L N -0.632 120.444 121.223 -0.244 0.000 2.093 164 L HA -0.128 4.210 4.340 -0.003 0.000 0.208 164 L C 2.609 179.368 176.870 -0.185 0.000 1.085 164 L CA 0.920 55.642 54.840 -0.197 0.000 0.755 164 L CB -0.596 41.368 42.059 -0.158 0.000 0.904 164 L HN 0.373 nan 8.230 nan 0.000 0.435 165 L N 0.140 121.276 121.223 -0.145 0.000 2.042 165 L HA -0.224 4.114 4.340 -0.003 0.000 0.210 165 L C 2.466 179.246 176.870 -0.150 0.000 1.076 165 L CA 1.861 56.681 54.840 -0.034 0.000 0.749 165 L CB -0.459 41.718 42.059 0.196 0.000 0.893 165 L HN 0.086 nan 8.230 nan 0.000 0.432 166 K N -1.104 119.080 120.400 -0.359 0.000 2.026 166 K HA -0.121 4.197 4.320 -0.003 0.000 0.208 166 K C 1.931 178.397 176.600 -0.224 0.000 1.048 166 K CA 1.670 57.676 56.287 -0.468 0.000 0.929 166 K CB -0.415 31.308 32.500 -1.296 0.000 0.713 166 K HN 0.255 nan 8.250 nan 0.000 0.439 167 V N 1.520 121.250 119.914 -0.307 0.000 2.287 167 V HA -0.299 3.819 4.120 -0.003 0.000 0.248 167 V C 2.376 178.426 176.094 -0.073 0.000 1.053 167 V CA 2.133 64.385 62.300 -0.080 0.000 1.027 167 V CB -0.835 30.946 31.823 -0.070 0.000 0.646 167 V HN 0.391 nan 8.190 nan 0.000 0.447 168 A N -0.286 122.464 122.820 -0.116 0.000 1.902 168 A HA -0.166 4.153 4.320 -0.003 0.000 0.217 168 A C 2.240 179.746 177.584 -0.130 0.000 1.181 168 A CA 1.913 53.883 52.037 -0.112 0.000 0.623 168 A CB -0.557 18.380 19.000 -0.105 0.000 0.818 168 A HN 0.503 nan 8.150 nan 0.000 0.443 169 L N -0.788 120.314 121.223 -0.202 0.000 2.017 169 L HA -0.175 4.163 4.340 -0.003 0.000 0.208 169 L C 2.573 179.232 176.870 -0.351 0.000 1.073 169 L CA 1.115 55.675 54.840 -0.465 0.000 0.745 169 L CB -0.531 40.956 42.059 -0.954 0.000 0.894 169 L HN 0.368 nan 8.230 nan 0.000 0.432 170 L N -0.515 120.650 121.223 -0.096 0.000 2.079 170 L HA -0.225 4.114 4.340 -0.003 0.000 0.210 170 L C 2.121 179.119 176.870 0.214 0.000 1.081 170 L CA 1.111 56.099 54.840 0.246 0.000 0.752 170 L CB -0.293 42.056 42.059 0.483 0.000 0.896 170 L HN 0.296 nan 8.230 nan 0.000 0.433 171 L N -0.487 120.750 121.223 0.023 0.000 2.627 171 L HA 0.137 4.475 4.340 -0.003 0.000 0.233 171 L C 1.264 178.124 176.870 -0.016 0.000 1.144 171 L CA 0.478 55.278 54.840 -0.067 0.000 0.892 171 L CB -0.371 41.584 42.059 -0.173 0.000 1.039 171 L HN 0.483 nan 8.230 nan 0.000 0.442 172 G N -0.031 108.785 108.800 0.028 0.000 2.131 172 G HA2 -0.229 3.729 3.960 -0.003 0.000 0.223 172 G HA3 -0.229 3.729 3.960 -0.003 0.000 0.223 172 G C 0.163 175.064 174.900 0.002 0.000 0.990 172 G CA -0.113 45.014 45.100 0.045 0.000 0.671 172 G HN 0.079 nan 8.290 nan 0.000 0.521 173 V N 0.785 120.676 119.914 -0.038 0.000 2.655 173 V HA 0.318 4.436 4.120 -0.003 0.000 0.300 173 V C 0.904 176.963 176.094 -0.058 0.000 1.044 173 V CA 0.319 62.584 62.300 -0.058 0.000 1.095 173 V CB 1.688 33.460 31.823 -0.085 0.000 0.952 173 V HN 0.454 nan 8.190 nan 0.000 0.485 174 E N 5.291 125.449 120.200 -0.070 0.000 2.081 174 E HA 0.438 4.786 4.350 -0.003 0.000 0.281 174 E C -1.044 175.472 176.600 -0.140 0.000 0.986 174 E CA -0.426 55.920 56.400 -0.090 0.000 0.796 174 E CB 0.669 30.325 29.700 -0.072 0.000 1.085 174 E HN 0.624 nan 8.360 nan 0.000 0.398 175 I N 4.726 125.172 120.570 -0.206 0.000 2.404 175 I HA 0.292 4.461 4.170 -0.003 0.000 0.293 175 I C -0.157 175.677 176.117 -0.473 0.000 0.992 175 I CA -0.836 60.277 61.300 -0.310 0.000 1.149 175 I CB 1.432 39.253 38.000 -0.299 0.000 1.315 175 I HN 0.472 nan 8.210 nan 0.000 0.446 176 H N 4.479 123.311 119.070 -0.396 0.000 2.489 176 H HA 0.302 4.857 4.556 -0.003 0.000 0.343 176 H C -1.374 173.708 175.328 -0.411 0.000 1.086 176 H CA -0.504 55.401 56.048 -0.238 0.000 1.198 176 H CB 1.729 31.412 29.762 -0.131 0.000 1.490 176 H HN 0.489 nan 8.280 nan 0.000 0.504 177 W N -0.476 120.851 121.300 0.045 0.000 2.655 177 W HA 0.422 5.080 4.660 -0.002 0.000 0.358 177 W C 0.917 177.444 176.519 0.014 0.000 1.100 177 W CA -0.461 56.886 57.345 0.003 0.000 1.195 177 W CB 0.874 30.304 29.460 -0.049 0.000 1.403 177 W HN 0.898 nan 8.180 nan 0.000 0.589 178 G N 0.269 109.217 108.800 0.248 0.000 2.225 178 G HA2 -0.150 3.809 3.960 -0.003 0.000 0.267 178 G HA3 -0.150 3.809 3.960 -0.003 0.000 0.267 178 G C -0.921 174.032 174.900 0.088 0.000 1.024 178 G CA 0.222 45.405 45.100 0.140 0.000 0.784 178 G HN 0.763 nan 8.290 nan 0.000 0.507 179 V N -0.637 119.314 119.914 0.062 0.000 2.638 179 V HA 0.759 4.877 4.120 -0.003 0.000 0.306 179 V C -0.166 175.930 176.094 0.003 0.000 1.052 179 V CA -0.931 61.387 62.300 0.030 0.000 0.885 179 V CB 1.839 33.680 31.823 0.030 0.000 0.999 179 V HN 0.359 nan 8.190 nan 0.000 0.424 180 K N 5.686 126.082 120.400 -0.007 0.000 2.235 180 K HA 0.436 4.754 4.320 -0.003 0.000 0.266 180 K C -1.042 175.541 176.600 -0.028 0.000 0.980 180 K CA -0.651 55.615 56.287 -0.036 0.000 0.849 180 K CB 1.219 33.690 32.500 -0.049 0.000 1.098 180 K HN 0.635 nan 8.250 nan 0.000 0.445 181 F N 4.136 123.959 119.950 -0.212 0.000 2.467 181 F HA 0.082 4.607 4.527 -0.003 0.000 0.362 181 F C 0.929 176.590 175.800 -0.232 0.000 1.090 181 F CA 0.480 58.367 58.000 -0.189 0.000 1.202 181 F CB 1.059 39.931 39.000 -0.213 0.000 1.113 181 F HN 0.692 nan 8.300 nan 0.000 0.541 182 T N 1.547 115.722 114.554 -0.632 0.000 3.004 182 T HA 0.636 4.984 4.350 -0.003 0.000 0.266 182 T C 0.498 174.984 174.700 -0.357 0.000 0.986 182 T CA 0.154 62.050 62.100 -0.340 0.000 0.902 182 T CB -0.010 68.762 68.868 -0.160 0.000 1.118 182 T HN 1.035 nan 8.240 nan 0.000 0.522 183 G N 0.734 108.986 108.800 -0.913 0.000 2.351 183 G HA2 0.427 4.386 3.960 -0.003 0.000 0.279 183 G HA3 0.427 4.386 3.960 -0.003 0.000 0.279 183 G C -2.318 172.389 174.900 -0.320 0.000 1.297 183 G CA -1.038 43.809 45.100 -0.422 0.000 0.886 183 G HN 0.352 nan 8.290 nan 0.000 0.493 184 L N 0.310 121.590 121.223 0.094 0.000 2.342 184 L HA 0.552 4.891 4.340 -0.003 0.000 0.271 184 L C -0.006 177.000 176.870 0.228 0.000 1.008 184 L CA -0.799 54.222 54.840 0.302 0.000 0.818 184 L CB 2.164 44.530 42.059 0.512 0.000 1.296 184 L HN 0.504 nan 8.230 nan 0.000 0.427 185 Q N 4.021 123.946 119.800 0.209 0.000 2.360 185 Q HA 0.313 4.651 4.340 -0.003 0.000 0.254 185 Q C -2.302 173.688 176.000 -0.016 0.000 0.975 185 Q CA -1.908 53.944 55.803 0.082 0.000 0.912 185 Q CB 1.360 30.119 28.738 0.034 0.000 1.212 185 Q HN 0.264 nan 8.270 nan 0.000 0.452 186 P HA 0.102 nan 4.420 nan 0.000 0.272 186 P C -2.583 174.355 177.300 -0.605 0.000 1.223 186 P CA -1.571 61.122 63.100 -0.678 0.000 0.784 186 P CB -0.161 31.299 31.700 -0.400 0.000 0.923 187 P HA 0.069 nan 4.420 nan 0.000 0.262 187 P C -1.899 175.291 177.300 -0.182 0.000 1.199 187 P CA -0.776 62.047 63.100 -0.461 0.000 0.763 187 P CB -0.656 30.771 31.700 -0.454 0.000 0.790 188 P HA -0.117 nan 4.420 nan 0.000 0.217 188 P C 0.148 177.243 177.300 -0.343 0.000 1.150 188 P CA 1.496 64.503 63.100 -0.155 0.000 0.832 188 P CB 0.221 31.836 31.700 -0.141 0.000 0.787 189 R N -3.384 116.854 120.500 -0.437 0.000 2.733 189 R HA 0.475 4.813 4.340 -0.003 0.000 0.272 189 R C -1.019 175.047 176.300 -0.391 0.000 1.029 189 R CA -1.192 54.506 56.100 -0.671 0.000 0.888 189 R CB 0.433 30.515 30.300 -0.364 0.000 1.251 189 R HN -0.438 nan 8.270 nan 0.000 0.464 190 K N 0.241 120.464 120.400 -0.295 0.000 2.524 190 K HA 0.157 4.476 4.320 -0.003 0.000 0.279 190 K C 1.005 177.554 176.600 -0.086 0.000 0.993 190 K CA 2.268 58.501 56.287 -0.089 0.000 1.030 190 K CB -0.061 32.411 32.500 -0.046 0.000 0.891 190 K HN 0.856 nan 8.250 nan 0.000 0.488 191 G N 1.911 110.681 108.800 -0.050 0.000 2.225 191 G HA2 -0.265 3.694 3.960 -0.003 0.000 0.254 191 G HA3 -0.265 3.694 3.960 -0.003 0.000 0.254 191 G C 0.089 174.951 174.900 -0.063 0.000 0.988 191 G CA 0.340 45.411 45.100 -0.049 0.000 0.625 191 G HN 0.657 nan 8.290 nan 0.000 0.527 192 S N 0.415 116.059 115.700 -0.094 0.000 2.601 192 S HA 0.653 5.121 4.470 -0.003 0.000 0.271 192 S C 0.781 175.302 174.600 -0.132 0.000 1.305 192 S CA 0.202 58.330 58.200 -0.120 0.000 1.022 192 S CB 1.552 64.654 63.200 -0.162 0.000 0.940 192 S HN 1.235 nan 8.310 nan 0.000 0.525 193 G N -0.039 108.673 108.800 -0.148 0.000 2.667 193 G HA2 0.565 4.523 3.960 -0.003 0.000 0.310 193 G HA3 0.565 4.523 3.960 -0.003 0.000 0.310 193 G C -1.559 173.179 174.900 -0.270 0.000 1.259 193 G CA -0.963 44.044 45.100 -0.155 0.000 1.019 193 G HN 0.646 nan 8.290 nan 0.000 0.496 194 W N 0.131 121.251 121.300 -0.300 0.000 2.238 194 W HA 0.621 5.279 4.660 -0.003 0.000 0.321 194 W C 0.907 177.006 176.519 -0.700 0.000 1.293 194 W CA -0.194 56.896 57.345 -0.426 0.000 1.204 194 W CB 0.822 30.002 29.460 -0.466 0.000 1.167 194 W HN 0.221 nan 8.180 nan 0.000 0.553 195 R N 1.655 122.058 120.500 -0.162 0.000 2.912 195 R HA 0.839 5.177 4.340 -0.003 0.000 0.262 195 R C -0.727 175.778 176.300 0.342 0.000 1.057 195 R CA -1.286 54.814 56.100 -0.000 0.000 0.981 195 R CB 1.619 31.947 30.300 0.046 0.000 1.201 195 R HN 0.502 nan 8.270 nan 0.000 0.484 196 A N 1.001 124.136 122.820 0.525 0.000 2.312 196 A HA 0.329 4.648 4.320 -0.003 0.000 0.326 196 A C -0.713 176.970 177.584 0.165 0.000 1.172 196 A CA -0.596 51.725 52.037 0.473 0.000 0.821 196 A CB 0.879 20.221 19.000 0.570 0.000 1.166 196 A HN 0.587 nan 8.150 nan 0.000 0.493 197 Q N 0.969 120.755 119.800 -0.024 0.000 2.279 197 Q HA 0.563 4.901 4.340 -0.003 0.000 0.256 197 Q C -1.285 174.621 176.000 -0.158 0.000 0.937 197 Q CA 0.141 55.889 55.803 -0.091 0.000 0.933 197 Q CB 1.199 29.862 28.738 -0.125 0.000 1.189 197 Q HN 0.619 nan 8.270 nan 0.000 0.417 198 L N 1.867 123.053 121.223 -0.060 0.000 2.388 198 L HA 0.453 4.792 4.340 -0.003 0.000 0.264 198 L C -0.548 176.304 176.870 -0.029 0.000 0.998 198 L CA -0.706 54.109 54.840 -0.041 0.000 0.817 198 L CB 2.341 44.406 42.059 0.009 0.000 1.338 198 L HN 0.459 nan 8.230 nan 0.000 0.414 199 Q N 3.220 123.004 119.800 -0.027 0.000 2.330 199 Q HA 0.461 4.800 4.340 -0.003 0.000 0.269 199 Q C -2.461 173.541 176.000 0.003 0.000 1.022 199 Q CA -1.787 54.009 55.803 -0.012 0.000 0.796 199 Q CB 3.000 31.727 28.738 -0.018 0.000 1.271 199 Q HN 0.285 nan 8.270 nan 0.000 0.450 200 P HA 0.004 nan 4.420 nan 0.000 0.277 200 P C -0.507 176.800 177.300 0.012 0.000 1.271 200 P CA -0.527 62.580 63.100 0.011 0.000 0.795 200 P CB 0.531 32.242 31.700 0.018 0.000 1.101 201 N N 1.431 120.137 118.700 0.011 0.000 1.923 201 N HA -0.072 4.667 4.740 -0.003 0.000 0.305 201 N C -1.797 173.724 175.510 0.019 0.000 1.339 201 N CA -0.219 52.839 53.050 0.013 0.000 0.825 201 N CB -0.441 38.054 38.487 0.014 0.000 1.095 201 N HN 0.241 nan 8.380 nan 0.000 0.498 202 P HA 0.353 nan 4.420 nan 0.000 0.278 202 P C -2.595 174.720 177.300 0.025 0.000 1.258 202 P CA -1.221 61.889 63.100 0.018 0.000 0.811 202 P CB 0.112 31.812 31.700 0.001 0.000 1.063 203 P HA 0.090 nan 4.420 nan 0.000 0.273 203 P C 0.850 178.172 177.300 0.037 0.000 1.250 203 P CA -0.172 62.951 63.100 0.039 0.000 0.793 203 P CB 0.044 31.777 31.700 0.056 0.000 1.011 204 A N 0.503 123.347 122.820 0.040 0.000 1.948 204 A HA -0.294 4.024 4.320 -0.003 0.000 0.220 204 A C 2.212 179.830 177.584 0.056 0.000 1.177 204 A CA 2.233 54.296 52.037 0.044 0.000 0.636 204 A CB -1.288 17.736 19.000 0.040 0.000 0.815 204 A HN 0.602 nan 8.150 nan 0.000 0.449 205 Q N -0.603 119.232 119.800 0.059 0.000 1.993 205 Q HA -0.142 4.196 4.340 -0.003 0.000 0.202 205 Q C 1.871 177.911 176.000 0.067 0.000 0.984 205 Q CA 2.031 57.878 55.803 0.073 0.000 0.837 205 Q CB -0.580 28.209 28.738 0.084 0.000 0.902 205 Q HN 0.482 nan 8.270 nan 0.000 0.423 206 L N 0.168 121.384 121.223 -0.012 0.000 2.109 206 L HA 0.121 4.460 4.340 -0.003 0.000 0.207 206 L C 2.102 179.017 176.870 0.075 0.000 1.086 206 L CA 2.002 56.799 54.840 -0.072 0.000 0.760 206 L CB -1.156 40.711 42.059 -0.320 0.000 0.910 206 L HN 0.293 nan 8.230 nan 0.000 0.437 207 A N -0.911 121.946 122.820 0.061 0.000 1.908 207 A HA -0.222 4.096 4.320 -0.003 0.000 0.218 207 A C 2.361 180.009 177.584 0.106 0.000 1.181 207 A CA 2.093 54.178 52.037 0.079 0.000 0.627 207 A CB -0.968 18.062 19.000 0.050 0.000 0.818 207 A HN 0.631 nan 8.150 nan 0.000 0.445 208 S N -2.526 113.242 115.700 0.112 0.000 2.558 208 S HA 0.092 4.561 4.470 -0.003 0.000 0.217 208 S C 0.490 175.185 174.600 0.158 0.000 0.975 208 S CA -0.273 57.990 58.200 0.105 0.000 0.912 208 S CB -0.530 62.718 63.200 0.079 0.000 0.776 208 S HN 0.438 nan 8.310 nan 0.000 0.526 209 Y N 3.577 123.933 120.300 0.093 0.000 2.650 209 Y HA 0.248 4.797 4.550 -0.002 0.000 0.331 209 Y C 0.098 176.121 175.900 0.206 0.000 1.165 209 Y CA -0.485 57.704 58.100 0.148 0.000 1.473 209 Y CB 0.045 38.599 38.460 0.156 0.000 1.224 209 Y HN 0.273 nan 8.280 nan 0.000 0.533 210 E N 7.190 127.164 120.200 -0.377 0.000 2.166 210 E HA 0.394 4.742 4.350 -0.003 0.000 0.275 210 E C -1.427 174.832 176.600 -0.567 0.000 0.941 210 E CA -0.763 55.381 56.400 -0.427 0.000 0.784 210 E CB 1.351 30.917 29.700 -0.224 0.000 1.115 210 E HN 0.532 nan 8.360 nan 0.000 0.399 211 F N 0.002 119.768 119.950 -0.307 0.000 2.599 211 F HA 0.407 4.933 4.527 -0.002 0.000 0.311 211 F C 0.390 176.201 175.800 0.019 0.000 1.076 211 F CA -1.055 56.820 58.000 -0.209 0.000 0.937 211 F CB 1.089 39.989 39.000 -0.167 0.000 1.282 211 F HN 0.288 nan 8.300 nan 0.000 0.460 212 D N 0.168 120.707 120.400 0.231 0.000 2.398 212 D HA 0.153 4.791 4.640 -0.003 0.000 0.210 212 D C -0.414 175.990 176.300 0.173 0.000 1.094 212 D CA 0.281 54.434 54.000 0.256 0.000 0.839 212 D CB 0.995 42.022 40.800 0.379 0.000 0.963 212 D HN 0.265 nan 8.370 nan 0.000 0.506 213 V N 1.447 121.460 119.914 0.166 0.000 2.638 213 V HA 0.369 4.487 4.120 -0.003 0.000 0.306 213 V C -1.062 175.040 176.094 0.013 0.000 1.052 213 V CA -0.993 61.280 62.300 -0.045 0.000 0.885 213 V CB 2.314 34.077 31.823 -0.100 0.000 0.999 213 V HN 0.101 nan 8.190 nan 0.000 0.424 214 L N 6.397 127.567 121.223 -0.089 0.000 2.343 214 L HA 0.662 5.000 4.340 -0.003 0.000 0.278 214 L C -0.995 175.751 176.870 -0.207 0.000 0.996 214 L CA -0.044 54.684 54.840 -0.186 0.000 0.831 214 L CB 1.228 43.229 42.059 -0.095 0.000 1.232 214 L HN 0.437 nan 8.230 nan 0.000 0.413 215 I N 3.910 124.338 120.570 -0.235 0.000 2.330 215 I HA 0.348 4.516 4.170 -0.003 0.000 0.289 215 I C 0.051 176.021 176.117 -0.246 0.000 1.001 215 I CA -0.171 61.004 61.300 -0.208 0.000 1.193 215 I CB 1.212 39.113 38.000 -0.165 0.000 1.345 215 I HN 0.574 nan 8.210 nan 0.000 0.461 216 S N 5.535 121.094 115.700 -0.234 0.000 2.422 216 S HA 0.611 5.079 4.470 -0.003 0.000 0.298 216 S C 0.546 175.048 174.600 -0.164 0.000 1.118 216 S CA -0.456 57.616 58.200 -0.213 0.000 1.083 216 S CB 1.196 64.280 63.200 -0.193 0.000 0.971 216 S HN 0.714 nan 8.310 nan 0.000 0.478 217 A N 2.485 125.227 122.820 -0.131 0.000 2.959 217 A HA 0.632 4.950 4.320 -0.003 0.000 0.280 217 A C 0.926 178.477 177.584 -0.056 0.000 0.953 217 A CA -0.350 51.628 52.037 -0.098 0.000 1.047 217 A CB -0.142 18.792 19.000 -0.110 0.000 1.147 217 A HN 0.789 nan 8.150 nan 0.000 0.489 218 A N -0.171 122.650 122.820 0.001 0.000 2.337 218 A HA 0.545 4.863 4.320 -0.003 0.000 0.227 218 A C 1.328 178.960 177.584 0.079 0.000 1.259 218 A CA 0.822 52.889 52.037 0.050 0.000 0.870 218 A CB -0.773 18.327 19.000 0.167 0.000 0.927 218 A HN 2.264 nan 8.150 nan 0.000 0.497 219 G N -1.804 107.024 108.800 0.046 0.000 2.760 219 G HA2 0.121 4.080 3.960 -0.003 0.000 0.246 219 G HA3 0.121 4.080 3.960 -0.003 0.000 0.246 219 G C 0.936 175.882 174.900 0.077 0.000 1.359 219 G CA -0.354 44.779 45.100 0.054 0.000 0.861 219 G HN 1.212 nan 8.290 nan 0.000 0.541 220 G N -0.696 108.159 108.800 0.092 0.000 2.564 220 G HA2 0.047 4.005 3.960 -0.003 0.000 0.217 220 G HA3 0.047 4.005 3.960 -0.003 0.000 0.217 220 G C 1.170 176.130 174.900 0.099 0.000 1.120 220 G CA 1.624 46.782 45.100 0.097 0.000 0.752 220 G HN 0.821 nan 8.290 nan 0.000 0.558 221 K N -1.379 119.095 120.400 0.124 0.000 2.438 221 K HA 0.298 4.616 4.320 -0.003 0.000 0.206 221 K C -0.866 175.859 176.600 0.207 0.000 1.081 221 K CA -0.485 55.888 56.287 0.143 0.000 1.053 221 K CB 0.925 33.514 32.500 0.150 0.000 0.908 221 K HN 0.213 nan 8.250 nan 0.000 0.556 222 F N 1.100 121.066 119.950 0.027 0.000 2.557 222 F HA 0.410 4.935 4.527 -0.003 0.000 0.316 222 F C -1.437 174.356 175.800 -0.013 0.000 1.141 222 F CA -0.950 57.067 58.000 0.029 0.000 0.922 222 F CB 1.511 40.543 39.000 0.052 0.000 1.194 222 F HN -0.386 nan 8.300 nan 0.000 0.443 223 V N 7.006 126.416 119.914 -0.840 0.000 2.709 223 V HA 0.466 4.584 4.120 -0.003 0.000 0.308 223 V C -2.135 173.456 176.094 -0.837 0.000 1.062 223 V CA -1.909 59.975 62.300 -0.694 0.000 0.901 223 V CB 2.144 33.734 31.823 -0.388 0.000 1.003 223 V HN 0.647 nan 8.190 nan 0.000 0.425 224 P HA 0.108 nan 4.420 nan 0.000 0.271 224 P C -0.207 177.139 177.300 0.078 0.000 1.233 224 P CA -0.173 62.919 63.100 -0.014 0.000 0.795 224 P CB 0.453 32.314 31.700 0.270 0.000 0.936 225 E N -0.127 120.146 120.200 0.122 0.000 2.418 225 E HA 0.293 4.641 4.350 -0.003 0.000 0.261 225 E C 1.153 177.811 176.600 0.097 0.000 1.070 225 E CA 0.882 57.338 56.400 0.093 0.000 0.931 225 E CB -0.202 29.551 29.700 0.089 0.000 0.954 225 E HN 0.745 nan 8.360 nan 0.000 0.439 226 G N 1.726 110.550 108.800 0.040 0.000 2.232 226 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.226 226 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.226 226 G C -0.090 174.718 174.900 -0.154 0.000 0.996 226 G CA -0.507 44.551 45.100 -0.070 0.000 0.626 226 G HN 0.398 nan 8.290 nan 0.000 0.509 227 F N 2.222 122.143 119.950 -0.048 0.000 2.384 227 F HA 0.568 5.093 4.527 -0.003 0.000 0.338 227 F C 1.074 176.853 175.800 -0.036 0.000 1.103 227 F CA 0.060 58.029 58.000 -0.050 0.000 1.157 227 F CB 1.531 40.484 39.000 -0.079 0.000 1.167 227 F HN -0.091 nan 8.300 nan 0.000 0.529 228 T N 4.990 119.632 114.554 0.147 0.000 2.806 228 T HA 0.442 4.790 4.350 -0.003 0.000 0.290 228 T C -0.179 174.587 174.700 0.110 0.000 0.966 228 T CA -0.359 61.799 62.100 0.096 0.000 1.060 228 T CB 0.465 69.370 68.868 0.062 0.000 0.927 228 T HN 0.121 nan 8.240 nan 0.000 0.485 229 I N 3.412 124.026 120.570 0.074 0.000 2.404 229 I HA 0.394 4.563 4.170 -0.003 0.000 0.293 229 I C 0.486 176.633 176.117 0.051 0.000 0.992 229 I CA -0.923 60.412 61.300 0.059 0.000 1.149 229 I CB 1.572 39.591 38.000 0.032 0.000 1.315 229 I HN 0.490 nan 8.210 nan 0.000 0.446 230 R N 3.524 124.057 120.500 0.055 0.000 2.229 230 R HA 0.440 4.778 4.340 -0.003 0.000 0.328 230 R C -0.423 175.897 176.300 0.034 0.000 1.009 230 R CA -0.591 55.535 56.100 0.043 0.000 0.864 230 R CB 1.379 31.706 30.300 0.045 0.000 1.085 230 R HN 0.462 nan 8.270 nan 0.000 0.453 231 E N 3.586 123.802 120.200 0.026 0.000 2.176 231 E HA 0.284 4.633 4.350 -0.003 0.000 0.267 231 E C -1.190 175.420 176.600 0.016 0.000 0.893 231 E CA -0.469 55.945 56.400 0.023 0.000 0.761 231 E CB 1.321 31.035 29.700 0.023 0.000 1.133 231 E HN 0.402 nan 8.360 nan 0.000 0.409 232 M N 4.746 124.352 119.600 0.011 0.000 2.197 232 M HA 0.378 4.856 4.480 -0.003 0.000 0.301 232 M C -1.078 175.223 176.300 0.001 0.000 0.987 232 M CA -0.731 54.571 55.300 0.003 0.000 0.921 232 M CB 1.436 34.033 32.600 -0.004 0.000 1.569 232 M HN 0.561 nan 8.290 nan 0.000 0.431 233 R N 3.060 123.561 120.500 0.002 0.000 2.205 233 R HA 0.507 4.846 4.340 -0.003 0.000 0.342 233 R C 0.125 176.422 176.300 -0.006 0.000 1.058 233 R CA -0.038 56.063 56.100 0.003 0.000 0.904 233 R CB 0.726 31.030 30.300 0.007 0.000 1.089 233 R HN 0.898 nan 8.270 nan 0.000 0.471 234 G N 2.592 111.385 108.800 -0.012 0.000 2.574 234 G HA2 0.139 4.098 3.960 -0.003 0.000 0.248 234 G HA3 0.139 4.098 3.960 -0.003 0.000 0.248 234 G C -0.639 174.253 174.900 -0.014 0.000 1.422 234 G CA -0.652 44.435 45.100 -0.022 0.000 1.051 234 G HN 0.445 nan 8.290 nan 0.000 0.560 235 K N 0.073 120.461 120.400 -0.019 0.000 2.436 235 K HA 0.071 4.389 4.320 -0.003 0.000 0.275 235 K C -0.002 176.599 176.600 0.001 0.000 0.999 235 K CA -0.530 55.751 56.287 -0.011 0.000 0.980 235 K CB 1.396 33.886 32.500 -0.015 0.000 0.919 235 K HN 0.257 nan 8.250 nan 0.000 0.484 236 L N 2.053 123.278 121.223 0.004 0.000 2.628 236 L HA 0.021 4.359 4.340 -0.003 0.000 0.274 236 L C -0.481 176.405 176.870 0.026 0.000 1.209 236 L CA 0.737 55.583 54.840 0.011 0.000 0.930 236 L CB -0.170 41.888 42.059 -0.002 0.000 1.183 236 L HN 0.701 nan 8.230 nan 0.000 0.492 237 A N 6.907 129.761 122.820 0.057 0.000 2.353 237 A HA 0.717 5.035 4.320 -0.003 0.000 0.299 237 A C -0.818 176.806 177.584 0.067 0.000 1.089 237 A CA -0.489 51.611 52.037 0.105 0.000 0.736 237 A CB 0.671 19.798 19.000 0.212 0.000 1.195 237 A HN 0.668 nan 8.150 nan 0.000 0.447 238 I N 2.718 123.266 120.570 -0.037 0.000 2.355 238 I HA 0.469 4.637 4.170 -0.003 0.000 0.288 238 I C 0.874 176.750 176.117 -0.401 0.000 0.999 238 I CA -0.319 60.867 61.300 -0.189 0.000 1.163 238 I CB 2.001 39.904 38.000 -0.162 0.000 1.316 238 I HN 0.716 nan 8.210 nan 0.000 0.454 239 G N 6.970 115.180 108.800 -0.984 0.000 2.400 239 G HA2 0.759 4.717 3.960 -0.003 0.000 0.301 239 G HA3 0.759 4.717 3.960 -0.003 0.000 0.301 239 G C -0.697 173.895 174.900 -0.513 0.000 1.154 239 G CA -0.369 43.885 45.100 -1.409 0.000 0.852 239 G HN 0.505 nan 8.290 nan 0.000 0.511 240 I N 1.200 121.674 120.570 -0.160 0.000 2.499 240 I HA 0.336 4.504 4.170 -0.003 0.000 0.288 240 I C 0.106 176.347 176.117 0.207 0.000 1.048 240 I CA -0.696 60.631 61.300 0.046 0.000 1.062 240 I CB 2.688 40.714 38.000 0.042 0.000 1.238 240 I HN 0.607 nan 8.210 nan 0.000 0.426 241 T N 2.542 117.294 114.554 0.330 0.000 2.918 241 T HA 0.928 5.276 4.350 -0.003 0.000 0.286 241 T C -0.537 174.288 174.700 0.208 0.000 1.026 241 T CA -0.811 61.462 62.100 0.290 0.000 1.031 241 T CB 2.250 71.420 68.868 0.503 0.000 1.046 241 T HN 0.735 nan 8.240 nan 0.000 0.479 242 A N 2.338 125.225 122.820 0.113 0.000 2.520 242 A HA 0.718 5.036 4.320 -0.003 0.000 0.298 242 A C -1.113 176.485 177.584 0.023 0.000 1.051 242 A CA -1.021 51.055 52.037 0.064 0.000 0.690 242 A CB 1.367 20.389 19.000 0.037 0.000 1.281 242 A HN 0.777 nan 8.150 nan 0.000 0.402 243 N N 1.090 119.767 118.700 -0.039 0.000 2.372 243 N HA 0.652 5.390 4.740 -0.003 0.000 0.285 243 N C -1.650 173.749 175.510 -0.184 0.000 1.008 243 N CA 0.120 53.203 53.050 0.054 0.000 0.880 243 N CB 1.332 39.921 38.487 0.170 0.000 1.239 243 N HN 0.480 nan 8.380 nan 0.000 0.484 244 F N 0.232 120.331 119.950 0.247 0.000 2.507 244 F HA 0.379 4.905 4.527 -0.003 0.000 0.327 244 F C 0.785 176.685 175.800 0.167 0.000 1.068 244 F CA -1.003 57.081 58.000 0.140 0.000 0.965 244 F CB 1.004 40.054 39.000 0.083 0.000 1.192 244 F HN 0.011 nan 8.300 nan 0.000 0.476 245 V N 2.223 122.323 119.914 0.312 0.000 2.617 245 V HA -0.059 4.060 4.120 -0.003 0.000 0.304 245 V C -0.000 176.212 176.094 0.197 0.000 1.040 245 V CA 0.020 62.437 62.300 0.194 0.000 1.149 245 V CB 0.196 32.110 31.823 0.151 0.000 0.914 245 V HN 0.655 nan 8.190 nan 0.000 0.487 246 N N 4.009 122.724 118.700 0.025 0.000 2.469 246 N HA 0.343 5.081 4.740 -0.003 0.000 0.253 246 N C 0.847 176.368 175.510 0.018 0.000 0.970 246 N CA 0.091 53.059 53.050 -0.137 0.000 0.940 246 N CB 1.695 39.892 38.487 -0.483 0.000 1.128 246 N HN 0.642 nan 8.380 nan 0.000 0.503 247 G N 2.169 111.029 108.800 0.101 0.000 2.744 247 G HA2 -0.071 3.887 3.960 -0.003 0.000 0.211 247 G HA3 -0.071 3.887 3.960 -0.003 0.000 0.211 247 G C 0.273 175.215 174.900 0.070 0.000 1.143 247 G CA -0.212 44.937 45.100 0.083 0.000 0.788 247 G HN 0.841 nan 8.290 nan 0.000 0.534 248 R N 0.001 120.548 120.500 0.077 0.000 3.641 248 R HA -0.180 4.158 4.340 -0.003 0.000 0.286 248 R C 0.518 176.858 176.300 0.066 0.000 1.153 248 R CA 0.752 56.892 56.100 0.067 0.000 0.775 248 R CB -3.060 27.264 30.300 0.040 0.000 1.215 248 R HN 0.557 nan 8.270 nan 0.000 0.474 249 T N -3.549 111.053 114.554 0.079 0.000 2.860 249 T HA 0.232 4.580 4.350 -0.003 0.000 0.299 249 T C 1.401 176.135 174.700 0.058 0.000 1.045 249 T CA -0.200 61.936 62.100 0.060 0.000 1.071 249 T CB 1.927 70.829 68.868 0.056 0.000 0.985 249 T HN 0.046 nan 8.240 nan 0.000 0.537 250 V N 1.400 121.338 119.914 0.040 0.000 2.380 250 V HA -0.177 3.942 4.120 -0.003 0.000 0.251 250 V C 2.463 178.581 176.094 0.040 0.000 1.063 250 V CA 2.378 64.699 62.300 0.035 0.000 1.055 250 V CB -0.940 30.896 31.823 0.021 0.000 0.657 250 V HN 0.979 nan 8.190 nan 0.000 0.455 251 E N -0.109 120.114 120.200 0.038 0.000 2.106 251 E HA -0.187 4.162 4.350 -0.003 0.000 0.192 251 E C 2.169 178.798 176.600 0.048 0.000 0.984 251 E CA 1.482 57.901 56.400 0.032 0.000 0.806 251 E CB -0.194 29.518 29.700 0.020 0.000 0.750 251 E HN 0.716 nan 8.360 nan 0.000 0.458 252 E N -0.329 119.918 120.200 0.079 0.000 2.106 252 E HA -0.141 4.207 4.350 -0.003 0.000 0.192 252 E C 2.039 178.734 176.600 0.159 0.000 0.984 252 E CA 1.570 58.046 56.400 0.127 0.000 0.806 252 E CB -0.105 29.729 29.700 0.223 0.000 0.750 252 E HN 0.406 nan 8.360 nan 0.000 0.458 253 T N -1.398 113.232 114.554 0.127 0.000 2.962 253 T HA -0.186 4.162 4.350 -0.003 0.000 0.270 253 T C 1.844 176.599 174.700 0.092 0.000 1.088 253 T CA 0.954 63.123 62.100 0.114 0.000 1.127 253 T CB -0.042 68.868 68.868 0.071 0.000 0.883 253 T HN 0.058 nan 8.240 nan 0.000 0.493 254 Q N 0.445 120.287 119.800 0.070 0.000 2.297 254 Q HA 0.080 4.418 4.340 -0.003 0.000 0.204 254 Q C 0.121 176.159 176.000 0.063 0.000 0.962 254 Q CA 0.287 56.120 55.803 0.049 0.000 0.879 254 Q CB -0.006 28.749 28.738 0.028 0.000 0.947 254 Q HN 0.437 nan 8.270 nan 0.000 0.462 255 V N 3.756 123.726 119.914 0.093 0.000 2.446 255 V HA 0.074 4.192 4.120 -0.003 0.000 0.276 255 V C -2.101 174.108 176.094 0.193 0.000 1.030 255 V CA -1.137 61.233 62.300 0.116 0.000 1.033 255 V CB 0.284 32.163 31.823 0.092 0.000 0.993 255 V HN 0.181 nan 8.190 nan 0.000 0.477 256 P HA 0.120 nan 4.420 nan 0.000 0.268 256 P C 0.169 177.599 177.300 0.216 0.000 1.205 256 P CA -0.059 63.120 63.100 0.132 0.000 0.771 256 P CB 0.568 32.314 31.700 0.077 0.000 0.858 257 E N 1.430 121.682 120.200 0.087 0.000 2.410 257 E HA 0.219 4.567 4.350 -0.003 0.000 0.255 257 E C -0.119 176.531 176.600 0.083 0.000 1.194 257 E CA -0.162 56.222 56.400 -0.028 0.000 0.955 257 E CB 0.375 30.026 29.700 -0.082 0.000 0.988 257 E HN 0.367 nan 8.360 nan 0.000 0.461 258 I N 1.570 122.178 120.570 0.065 0.000 2.448 258 I HA 0.004 4.172 4.170 -0.003 0.000 0.281 258 I C 1.051 177.182 176.117 0.024 0.000 1.027 258 I CA -0.189 61.139 61.300 0.047 0.000 1.111 258 I CB 1.580 39.612 38.000 0.055 0.000 1.236 258 I HN 0.483 nan 8.210 nan 0.000 0.452 259 S N 3.894 119.627 115.700 0.055 0.000 2.453 259 S HA 0.279 4.748 4.470 -0.003 0.000 0.231 259 S C 0.983 175.616 174.600 0.055 0.000 1.005 259 S CA 0.476 58.730 58.200 0.090 0.000 0.949 259 S CB 0.010 63.252 63.200 0.071 0.000 0.774 259 S HN 1.104 nan 8.310 nan 0.000 0.510 266 N N 0.619 119.424 118.700 0.175 0.000 2.204 266 N HA 0.177 4.915 4.740 -0.003 0.000 0.219 266 N C -0.667 174.925 175.510 0.135 0.000 1.151 266 N CA 0.107 53.234 53.050 0.127 0.000 0.867 266 N CB 1.130 39.677 38.487 0.100 0.000 1.043 266 N HN 0.443 nan 8.380 nan 0.000 0.516 267 Q N 0.895 120.812 119.800 0.196 0.000 2.394 267 Q HA 0.286 4.624 4.340 -0.003 0.000 0.259 267 Q C 0.518 176.621 176.000 0.173 0.000 1.021 267 Q CA -0.095 55.828 55.803 0.199 0.000 0.805 267 Q CB 1.460 30.369 28.738 0.285 0.000 1.226 267 Q HN -0.018 nan 8.270 nan 0.000 0.476 268 K N 1.775 122.251 120.400 0.127 0.000 2.362 268 K HA -0.089 4.229 4.320 -0.003 0.000 0.200 268 K C 1.183 177.846 176.600 0.105 0.000 1.046 268 K CA 0.566 56.915 56.287 0.104 0.000 0.952 268 K CB 0.043 32.597 32.500 0.090 0.000 0.753 268 K HN 0.480 nan 8.250 nan 0.000 0.466 269 F N 0.666 120.589 119.950 -0.044 0.000 2.084 269 F HA -0.182 4.343 4.527 -0.003 0.000 0.296 269 F C 1.528 177.264 175.800 -0.105 0.000 1.111 269 F CA 1.444 59.380 58.000 -0.106 0.000 1.224 269 F CB -0.197 38.626 39.000 -0.295 0.000 0.991 269 F HN -0.133 nan 8.300 nan 0.000 0.471 270 F N 1.019 120.958 119.950 -0.019 0.000 2.234 270 F HA -0.140 4.385 4.527 -0.003 0.000 0.299 270 F C 2.502 178.174 175.800 -0.213 0.000 1.087 270 F CA 1.362 59.258 58.000 -0.174 0.000 1.340 270 F CB -1.226 37.799 39.000 0.041 0.000 1.031 270 F HN 0.102 nan 8.300 nan 0.000 0.500 271 Q N -0.101 119.723 119.800 0.040 0.000 2.079 271 Q HA -0.163 4.175 4.340 -0.003 0.000 0.200 271 Q C 2.506 178.444 176.000 -0.102 0.000 0.974 271 Q CA 1.990 57.785 55.803 -0.014 0.000 0.840 271 Q CB -0.364 28.391 28.738 0.028 0.000 0.898 271 Q HN 0.486 nan 8.270 nan 0.000 0.430 272 S N 0.842 116.471 115.700 -0.119 0.000 2.368 272 S HA -0.162 4.306 4.470 -0.003 0.000 0.224 272 S C 1.952 176.326 174.600 -0.378 0.000 1.029 272 S CA 1.009 59.153 58.200 -0.094 0.000 0.988 272 S CB -0.475 62.784 63.200 0.097 0.000 0.838 272 S HN 0.312 nan 8.310 nan 0.000 0.462 273 L N 1.215 121.953 121.223 -0.809 0.000 2.012 273 L HA 0.054 4.393 4.340 -0.003 0.000 0.210 273 L C 2.320 178.738 176.870 -0.754 0.000 1.073 273 L CA 1.719 55.706 54.840 -1.421 0.000 0.748 273 L CB -0.999 40.338 42.059 -1.203 0.000 0.891 273 L HN 0.401 nan 8.230 nan 0.000 0.431 274 L N -0.010 120.964 121.223 -0.414 0.000 2.042 274 L HA -0.235 4.103 4.340 -0.003 0.000 0.210 274 L C 2.594 179.335 176.870 -0.215 0.000 1.076 274 L CA 2.269 56.960 54.840 -0.248 0.000 0.749 274 L CB -0.902 41.079 42.059 -0.131 0.000 0.893 274 L HN 0.458 nan 8.230 nan 0.000 0.432 275 K N -0.767 119.517 120.400 -0.195 0.000 2.032 275 K HA -0.174 4.145 4.320 -0.003 0.000 0.209 275 K C 1.930 178.446 176.600 -0.141 0.000 1.048 275 K CA 1.527 57.736 56.287 -0.128 0.000 0.927 275 K CB -0.254 32.197 32.500 -0.082 0.000 0.712 275 K HN 0.448 nan 8.250 nan 0.000 0.441 276 A N -0.018 122.674 122.820 -0.214 0.000 1.970 276 A HA -0.080 4.238 4.320 -0.003 0.000 0.216 276 A C 1.953 179.426 177.584 -0.184 0.000 1.170 276 A CA 1.916 53.856 52.037 -0.161 0.000 0.645 276 A CB -0.324 18.613 19.000 -0.105 0.000 0.816 276 A HN 0.614 nan 8.150 nan 0.000 0.447 277 T N -6.801 107.584 114.554 -0.280 0.000 2.969 277 T HA 0.426 4.775 4.350 -0.003 0.000 0.258 277 T C 1.364 175.950 174.700 -0.191 0.000 0.962 277 T CA 1.090 63.045 62.100 -0.242 0.000 0.903 277 T CB 0.314 68.974 68.868 -0.346 0.000 1.177 277 T HN 1.718 nan 8.240 nan 0.000 0.511 278 G N 1.831 110.521 108.800 -0.183 0.000 2.162 278 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.260 278 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.260 278 G C -0.012 174.824 174.900 -0.107 0.000 0.976 278 G CA 0.217 45.248 45.100 -0.115 0.000 0.655 278 G HN 0.688 nan 8.290 nan 0.000 0.533 279 I N 1.211 121.657 120.570 -0.207 0.000 2.352 279 I HA 0.310 4.478 4.170 -0.003 0.000 0.290 279 I C -0.359 175.681 176.117 -0.129 0.000 1.036 279 I CA -0.429 60.740 61.300 -0.218 0.000 1.336 279 I CB 1.246 38.925 38.000 -0.535 0.000 1.407 279 I HN -0.009 nan 8.210 nan 0.000 0.497 280 D N 8.398 128.795 120.400 -0.005 0.000 2.460 280 D HA 0.440 5.078 4.640 -0.003 0.000 0.232 280 D C -0.875 175.424 176.300 -0.001 0.000 1.079 280 D CA -0.225 53.767 54.000 -0.013 0.000 0.864 280 D CB 0.761 41.561 40.800 -0.001 0.000 1.048 280 D HN 0.300 nan 8.370 nan 0.000 0.523 281 L N 2.750 123.933 121.223 -0.065 0.000 2.334 281 L HA 0.433 4.771 4.340 -0.003 0.000 0.273 281 L C 1.415 177.982 176.870 -0.505 0.000 1.013 281 L CA -0.714 54.033 54.840 -0.155 0.000 0.816 281 L CB 2.081 44.137 42.059 -0.005 0.000 1.278 281 L HN 0.314 nan 8.230 nan 0.000 0.431 282 E N 0.943 120.925 120.200 -0.363 0.000 2.216 282 E HA -0.009 4.339 4.350 -0.003 0.000 0.192 282 E C -0.569 175.754 176.600 -0.463 0.000 0.973 282 E CA 0.468 56.642 56.400 -0.376 0.000 0.851 282 E CB 0.382 30.031 29.700 -0.085 0.000 0.804 282 E HN 0.723 nan 8.360 nan 0.000 0.477 283 N N -0.356 118.204 118.700 -0.235 0.000 2.859 283 N HA 0.421 5.159 4.740 -0.003 0.000 0.250 283 N C -1.574 174.135 175.510 0.331 0.000 1.341 283 N CA -0.726 52.411 53.050 0.146 0.000 0.881 283 N CB 1.514 40.132 38.487 0.219 0.000 1.516 283 N HN -0.023 nan 8.380 nan 0.000 0.503 284 I N 0.190 121.040 120.570 0.467 0.000 2.827 284 I HA 0.725 4.893 4.170 -0.003 0.000 0.298 284 I C -1.700 174.544 176.117 0.212 0.000 1.235 284 I CA -0.898 60.615 61.300 0.356 0.000 1.021 284 I CB 2.029 40.304 38.000 0.458 0.000 1.259 284 I HN 0.455 nan 8.210 nan 0.000 0.427 285 V N 6.233 126.221 119.914 0.122 0.000 2.709 285 V HA 0.433 4.551 4.120 -0.003 0.000 0.308 285 V C -1.603 174.397 176.094 -0.157 0.000 1.062 285 V CA -0.643 61.611 62.300 -0.076 0.000 0.901 285 V CB 1.906 33.603 31.823 -0.211 0.000 1.003 285 V HN 0.569 nan 8.190 nan 0.000 0.425 286 Y N 5.404 125.459 120.300 -0.408 0.000 2.326 286 Y HA 0.730 5.279 4.550 -0.003 0.000 0.329 286 Y C -1.798 173.874 175.900 -0.380 0.000 0.973 286 Y CA -1.569 56.153 58.100 -0.631 0.000 1.162 286 Y CB 1.254 39.375 38.460 -0.564 0.000 1.147 286 Y HN 0.553 nan 8.280 nan 0.000 0.456 287 Y N 4.637 124.622 120.300 -0.526 0.000 2.352 287 Y HA 0.396 4.945 4.550 -0.003 0.000 0.339 287 Y C 0.130 175.590 175.900 -0.734 0.000 0.992 287 Y CA -1.702 55.949 58.100 -0.748 0.000 1.100 287 Y CB 1.636 39.629 38.460 -0.777 0.000 1.192 287 Y HN 0.508 nan 8.280 nan 0.000 0.458 288 K N 4.218 124.334 120.400 -0.473 0.000 2.231 288 K HA 0.146 4.464 4.320 -0.003 0.000 0.275 288 K C -0.784 175.867 176.600 0.084 0.000 1.105 288 K CA 0.088 56.321 56.287 -0.091 0.000 0.931 288 K CB 0.188 32.687 32.500 -0.003 0.000 1.296 288 K HN 0.870 nan 8.250 nan 0.000 0.446 289 D N 1.458 121.893 120.400 0.059 0.000 2.887 289 D HA 0.097 4.736 4.640 -0.003 0.000 0.221 289 D C 0.544 176.885 176.300 0.069 0.000 1.276 289 D CA -0.249 53.820 54.000 0.114 0.000 1.078 289 D CB 1.136 41.976 40.800 0.066 0.000 1.217 289 D HN 0.351 nan 8.370 nan 0.000 0.631 290 E N -0.111 120.147 120.200 0.097 0.000 2.153 290 E HA -0.044 4.304 4.350 -0.003 0.000 0.194 290 E C 0.824 177.452 176.600 0.048 0.000 0.988 290 E CA 0.972 57.425 56.400 0.089 0.000 0.811 290 E CB -0.183 29.592 29.700 0.126 0.000 0.746 290 E HN 0.479 nan 8.360 nan 0.000 0.466 291 T N -2.210 112.384 114.554 0.067 0.000 2.940 291 T HA 0.437 4.786 4.350 -0.003 0.000 0.288 291 T C -0.293 174.455 174.700 0.080 0.000 1.045 291 T CA -0.832 61.314 62.100 0.076 0.000 1.018 291 T CB 1.081 70.059 68.868 0.182 0.000 1.151 291 T HN -0.051 nan 8.240 nan 0.000 0.529 292 H N 0.412 119.701 119.070 0.365 0.000 3.015 292 H HA 0.330 4.884 4.556 -0.003 0.000 0.268 292 H C -1.016 174.626 175.328 0.524 0.000 1.113 292 H CA -0.228 56.115 56.048 0.491 0.000 1.479 292 H CB -0.038 30.045 29.762 0.535 0.000 1.493 292 H HN 0.589 nan 8.280 nan 0.000 0.486 293 Y N 4.497 124.962 120.300 0.274 0.000 2.330 293 Y HA 0.398 4.946 4.550 -0.003 0.000 0.336 293 Y C -1.534 174.358 175.900 -0.014 0.000 1.036 293 Y CA -1.225 56.992 58.100 0.194 0.000 1.125 293 Y CB 0.500 39.017 38.460 0.094 0.000 1.194 293 Y HN 0.413 nan 8.280 nan 0.000 0.469 294 F N 5.443 125.109 119.950 -0.475 0.000 2.551 294 F HA 0.623 5.149 4.527 -0.003 0.000 0.316 294 F C -0.839 174.548 175.800 -0.688 0.000 1.089 294 F CA -1.188 56.569 58.000 -0.405 0.000 0.915 294 F CB 2.031 41.034 39.000 0.005 0.000 1.186 294 F HN 0.379 nan 8.300 nan 0.000 0.456 295 V N 5.933 125.698 119.914 -0.248 0.000 2.656 295 V HA 0.781 4.900 4.120 -0.003 0.000 0.307 295 V C -0.910 175.291 176.094 0.178 0.000 1.051 295 V CA -0.550 61.768 62.300 0.030 0.000 0.893 295 V CB 1.829 33.786 31.823 0.223 0.000 0.999 295 V HN 0.785 nan 8.190 nan 0.000 0.426 296 M N 4.139 123.868 119.600 0.216 0.000 2.575 296 M HA 0.671 5.149 4.480 -0.003 0.000 0.284 296 M C -1.293 175.109 176.300 0.169 0.000 1.253 296 M CA -0.471 54.963 55.300 0.224 0.000 0.861 296 M CB 2.338 35.087 32.600 0.248 0.000 1.733 296 M HN 0.403 nan 8.290 nan 0.000 0.462 297 T N 1.844 116.498 114.554 0.168 0.000 2.770 297 T HA 0.792 5.141 4.350 -0.003 0.000 0.283 297 T C -0.646 174.096 174.700 0.069 0.000 0.988 297 T CA -0.507 61.662 62.100 0.116 0.000 0.957 297 T CB 1.381 70.403 68.868 0.256 0.000 0.930 297 T HN 0.770 nan 8.240 nan 0.000 0.443 298 A N 3.471 126.310 122.820 0.032 0.000 2.355 298 A HA 0.767 5.085 4.320 -0.003 0.000 0.324 298 A C -0.323 177.262 177.584 0.003 0.000 1.117 298 A CA -1.024 51.049 52.037 0.061 0.000 0.785 298 A CB 0.927 19.998 19.000 0.119 0.000 1.254 298 A HN 0.564 nan 8.150 nan 0.000 0.453 299 K N 1.555 121.964 120.400 0.015 0.000 2.270 299 K HA 0.111 4.429 4.320 -0.003 0.000 0.276 299 K C 0.839 177.423 176.600 -0.026 0.000 1.023 299 K CA -0.289 55.993 56.287 -0.008 0.000 0.955 299 K CB 1.395 33.892 32.500 -0.005 0.000 0.975 299 K HN 0.849 nan 8.250 nan 0.000 0.471 300 K N 2.000 122.376 120.400 -0.040 0.000 2.074 300 K HA -0.299 4.020 4.320 -0.003 0.000 0.209 300 K C 1.811 178.384 176.600 -0.044 0.000 1.048 300 K CA 1.772 58.026 56.287 -0.056 0.000 0.926 300 K CB 0.120 32.592 32.500 -0.046 0.000 0.713 300 K HN 0.434 nan 8.250 nan 0.000 0.444 301 Q N 0.628 120.413 119.800 -0.025 0.000 2.061 301 Q HA -0.207 4.131 4.340 -0.003 0.000 0.204 301 Q C 2.317 178.314 176.000 -0.006 0.000 0.984 301 Q CA 2.281 58.074 55.803 -0.016 0.000 0.846 301 Q CB -0.441 28.291 28.738 -0.011 0.000 0.902 301 Q HN 0.674 nan 8.270 nan 0.000 0.421 302 C N -1.309 118.000 119.300 0.014 0.000 2.450 302 C HA 0.077 4.535 4.460 -0.003 0.000 0.279 302 C C 2.344 177.367 174.990 0.055 0.000 1.335 302 C CA 0.135 59.187 59.018 0.057 0.000 1.749 302 C CB -1.237 26.569 27.740 0.111 0.000 1.963 302 C HN 0.537 nan 8.230 nan 0.000 0.501 303 L N 0.562 121.764 121.223 -0.036 0.000 2.093 303 L HA -0.070 4.269 4.340 -0.003 0.000 0.208 303 L C 2.929 179.738 176.870 -0.103 0.000 1.085 303 L CA 1.393 56.135 54.840 -0.164 0.000 0.755 303 L CB -0.489 41.414 42.059 -0.260 0.000 0.904 303 L HN 0.365 nan 8.230 nan 0.000 0.435 304 L N -0.699 120.484 121.223 -0.065 0.000 2.027 304 L HA -0.186 4.152 4.340 -0.003 0.000 0.206 304 L C 2.774 179.630 176.870 -0.024 0.000 1.074 304 L CA 1.169 55.981 54.840 -0.047 0.000 0.745 304 L CB -0.464 41.572 42.059 -0.039 0.000 0.898 304 L HN 0.178 nan 8.230 nan 0.000 0.433 305 R N 0.377 120.872 120.500 -0.008 0.000 2.120 305 R HA -0.108 4.231 4.340 -0.003 0.000 0.234 305 R C 1.870 178.179 176.300 0.016 0.000 1.123 305 R CA 1.147 57.249 56.100 0.004 0.000 0.975 305 R CB -0.035 30.270 30.300 0.008 0.000 0.866 305 R HN 0.332 nan 8.270 nan 0.000 0.446 306 L N -0.877 120.369 121.223 0.037 0.000 2.607 306 L HA 0.285 4.624 4.340 -0.003 0.000 0.228 306 L C 0.985 177.876 176.870 0.035 0.000 1.123 306 L CA 0.360 55.239 54.840 0.065 0.000 0.890 306 L CB 0.748 42.909 42.059 0.171 0.000 1.103 306 L HN 0.500 nan 8.230 nan 0.000 0.468 307 G N -0.244 108.554 108.800 -0.003 0.000 2.136 307 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.242 307 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.242 307 G C 0.705 175.578 174.900 -0.045 0.000 0.989 307 G CA 0.394 45.481 45.100 -0.021 0.000 0.682 307 G HN 0.128 nan 8.290 nan 0.000 0.522 308 V N -0.142 119.724 119.914 -0.080 0.000 2.453 308 V HA 0.177 4.295 4.120 -0.003 0.000 0.247 308 V C 1.552 177.565 176.094 -0.135 0.000 1.048 308 V CA 1.755 63.972 62.300 -0.138 0.000 1.049 308 V CB -0.143 31.507 31.823 -0.288 0.000 0.672 308 V HN 0.432 nan 8.190 nan 0.000 0.457 309 L N -0.393 120.757 121.223 -0.121 0.000 2.341 309 L HA 0.453 4.791 4.340 -0.003 0.000 0.278 309 L C 1.210 178.037 176.870 -0.071 0.000 1.005 309 L CA -0.510 54.268 54.840 -0.103 0.000 0.818 309 L CB 1.957 43.950 42.059 -0.110 0.000 1.259 309 L HN -0.013 nan 8.230 nan 0.000 0.418 310 R N 0.929 121.392 120.500 -0.061 0.000 2.062 310 R HA 0.028 4.367 4.340 -0.003 0.000 0.229 310 R C 0.023 176.299 176.300 -0.039 0.000 1.128 310 R CA 1.104 57.177 56.100 -0.045 0.000 0.960 310 R CB 0.148 30.424 30.300 -0.041 0.000 0.855 310 R HN 0.610 nan 8.270 nan 0.000 0.432 311 Q N 0.051 119.827 119.800 -0.040 0.000 2.397 311 Q HA 0.108 4.447 4.340 -0.003 0.000 0.275 311 Q C -1.503 174.475 176.000 -0.036 0.000 1.090 311 Q CA -0.675 55.108 55.803 -0.034 0.000 0.809 311 Q CB 2.198 30.919 28.738 -0.028 0.000 1.362 311 Q HN -0.086 nan 8.270 nan 0.000 0.431 312 D N 2.590 122.972 120.400 -0.031 0.000 2.545 312 D HA 0.142 4.780 4.640 -0.003 0.000 0.227 312 D C -0.819 175.465 176.300 -0.026 0.000 1.150 312 D CA 0.137 54.119 54.000 -0.030 0.000 1.046 312 D CB -0.278 40.507 40.800 -0.025 0.000 1.098 312 D HN 0.333 nan 8.370 nan 0.000 0.502 313 L N 1.796 123.002 121.223 -0.029 0.000 2.331 313 L HA 0.122 4.461 4.340 -0.003 0.000 0.278 313 L C 1.811 178.668 176.870 -0.021 0.000 1.106 313 L CA -0.465 54.361 54.840 -0.024 0.000 0.824 313 L CB 1.457 43.501 42.059 -0.026 0.000 1.142 313 L HN 0.170 nan 8.230 nan 0.000 0.443 314 S N 1.366 117.057 115.700 -0.016 0.000 2.383 314 S HA -0.054 4.414 4.470 -0.003 0.000 0.227 314 S C 0.802 175.396 174.600 -0.010 0.000 1.026 314 S CA 0.733 58.925 58.200 -0.012 0.000 0.981 314 S CB 0.069 63.264 63.200 -0.009 0.000 0.818 314 S HN 0.571 nan 8.310 nan 0.000 0.472 315 E N 1.844 122.038 120.200 -0.010 0.000 2.223 315 E HA 0.163 4.511 4.350 -0.003 0.000 0.282 315 E C 0.870 177.465 176.600 -0.009 0.000 1.046 315 E CA -0.012 56.385 56.400 -0.006 0.000 0.857 315 E CB 1.045 30.743 29.700 -0.004 0.000 1.055 315 E HN 0.248 nan 8.360 nan 0.000 0.409 316 T N 1.990 116.541 114.554 -0.006 0.000 2.833 316 T HA -0.167 4.181 4.350 -0.003 0.000 0.269 316 T C 1.243 175.936 174.700 -0.011 0.000 1.054 316 T CA 1.591 63.686 62.100 -0.009 0.000 1.135 316 T CB -0.019 68.849 68.868 0.000 0.000 0.869 316 T HN 0.542 nan 8.240 nan 0.000 0.466 317 D N 1.422 121.822 120.400 -0.000 0.000 2.219 317 D HA -0.148 4.491 4.640 -0.003 0.000 0.205 317 D C 1.852 178.146 176.300 -0.011 0.000 0.970 317 D CA 1.028 55.030 54.000 0.002 0.000 0.851 317 D CB -0.333 40.475 40.800 0.015 0.000 0.943 317 D HN 0.413 nan 8.370 nan 0.000 0.488 318 Q N -0.456 119.336 119.800 -0.014 0.000 2.123 318 Q HA 0.054 4.392 4.340 -0.003 0.000 0.196 318 Q C 2.352 178.332 176.000 -0.033 0.000 0.958 318 Q CA 0.223 56.014 55.803 -0.020 0.000 0.841 318 Q CB -0.036 28.693 28.738 -0.016 0.000 0.915 318 Q HN 0.178 nan 8.270 nan 0.000 0.455 319 L N 0.637 121.839 121.223 -0.036 0.000 2.081 319 L HA -0.168 4.170 4.340 -0.003 0.000 0.212 319 L C 1.472 178.301 176.870 -0.070 0.000 1.080 319 L CA 1.759 56.569 54.840 -0.050 0.000 0.754 319 L CB -0.032 41.998 42.059 -0.048 0.000 0.893 319 L HN 0.174 nan 8.230 nan 0.000 0.433 320 L N -0.788 120.393 121.223 -0.069 0.000 2.769 320 L HA 0.335 4.674 4.340 -0.003 0.000 0.240 320 L C 1.041 177.855 176.870 -0.093 0.000 1.163 320 L CA -0.185 54.596 54.840 -0.098 0.000 0.962 320 L CB -0.494 41.502 42.059 -0.105 0.000 1.258 320 L HN 0.259 nan 8.230 nan 0.000 0.513 321 G N -0.215 108.545 108.800 -0.066 0.000 2.572 321 G HA2 0.094 4.052 3.960 -0.003 0.000 0.261 321 G HA3 0.094 4.052 3.960 -0.003 0.000 0.261 321 G C 0.677 175.538 174.900 -0.065 0.000 1.197 321 G CA -0.350 44.716 45.100 -0.055 0.000 0.870 321 G HN 0.063 nan 8.290 nan 0.000 0.548 322 K N 0.426 120.792 120.400 -0.057 0.000 2.160 322 K HA -0.143 4.175 4.320 -0.003 0.000 0.206 322 K C 2.573 179.142 176.600 -0.052 0.000 1.047 322 K CA 1.607 57.859 56.287 -0.058 0.000 0.930 322 K CB -0.166 32.308 32.500 -0.043 0.000 0.720 322 K HN 0.478 nan 8.250 nan 0.000 0.450 323 A N 0.511 123.306 122.820 -0.042 0.000 2.015 323 A HA -0.124 4.194 4.320 -0.003 0.000 0.219 323 A C 1.724 179.283 177.584 -0.043 0.000 1.163 323 A CA 1.691 53.706 52.037 -0.037 0.000 0.646 323 A CB -0.323 18.661 19.000 -0.027 0.000 0.806 323 A HN 0.394 nan 8.150 nan 0.000 0.448 324 N N -1.328 117.341 118.700 -0.052 0.000 2.282 324 N HA 0.084 4.822 4.740 -0.003 0.000 0.185 324 N C -0.437 175.028 175.510 -0.075 0.000 1.099 324 N CA 0.216 53.231 53.050 -0.058 0.000 0.878 324 N CB 0.494 38.947 38.487 -0.057 0.000 0.993 324 N HN 0.079 nan 8.380 nan 0.000 0.481 325 V N 1.586 121.448 119.914 -0.086 0.000 2.407 325 V HA 0.315 4.434 4.120 -0.003 0.000 0.278 325 V C -0.215 175.823 176.094 -0.094 0.000 1.037 325 V CA -0.815 61.421 62.300 -0.107 0.000 0.900 325 V CB 1.587 33.330 31.823 -0.133 0.000 0.983 325 V HN -0.164 nan 8.190 nan 0.000 0.459 326 V N 8.315 128.173 119.914 -0.093 0.000 2.320 326 V HA 0.200 4.318 4.120 -0.003 0.000 0.265 326 V C -1.376 174.669 176.094 -0.081 0.000 1.048 326 V CA -1.219 61.036 62.300 -0.074 0.000 0.865 326 V CB 1.096 32.885 31.823 -0.057 0.000 1.043 326 V HN 0.739 nan 8.190 nan 0.000 0.474 327 P HA -0.175 nan 4.420 nan 0.000 0.216 327 P C 1.599 178.841 177.300 -0.097 0.000 1.157 327 P CA 1.272 64.309 63.100 -0.106 0.000 0.880 327 P CB 0.360 32.000 31.700 -0.100 0.000 0.791 328 E N -0.608 119.554 120.200 -0.064 0.000 2.077 328 E HA -0.166 4.182 4.350 -0.003 0.000 0.193 328 E C 2.078 178.675 176.600 -0.006 0.000 0.989 328 E CA 1.564 57.943 56.400 -0.036 0.000 0.800 328 E CB -0.749 28.940 29.700 -0.018 0.000 0.746 328 E HN 0.178 nan 8.360 nan 0.000 0.452 329 A N 1.352 124.168 122.820 -0.007 0.000 1.898 329 A HA -0.149 4.169 4.320 -0.003 0.000 0.216 329 A C 2.243 179.856 177.584 0.049 0.000 1.181 329 A CA 1.107 53.158 52.037 0.024 0.000 0.620 329 A CB -0.581 18.419 19.000 -0.001 0.000 0.819 329 A HN 0.221 nan 8.150 nan 0.000 0.442 330 L N -0.044 121.167 121.223 -0.020 0.000 2.046 330 L HA -0.224 4.114 4.340 -0.003 0.000 0.208 330 L C 2.468 179.386 176.870 0.080 0.000 1.077 330 L CA 2.405 57.228 54.840 -0.028 0.000 0.747 330 L CB -0.786 41.205 42.059 -0.113 0.000 0.896 330 L HN 0.518 nan 8.230 nan 0.000 0.432 331 Q N -0.749 119.051 119.800 -0.000 0.000 2.030 331 Q HA -0.235 4.104 4.340 -0.003 0.000 0.204 331 Q C 2.346 178.550 176.000 0.340 0.000 0.986 331 Q CA 2.220 58.050 55.803 0.044 0.000 0.843 331 Q CB -0.282 28.346 28.738 -0.183 0.000 0.904 331 Q HN 0.488 nan 8.270 nan 0.000 0.420 332 R N -0.423 120.210 120.500 0.222 0.000 2.096 332 R HA -0.151 4.187 4.340 -0.003 0.000 0.235 332 R C 2.132 178.553 176.300 0.201 0.000 1.127 332 R CA 1.372 57.590 56.100 0.197 0.000 0.968 332 R CB -0.404 29.969 30.300 0.123 0.000 0.861 332 R HN 0.240 nan 8.270 nan 0.000 0.440 333 F N 1.320 121.311 119.950 0.068 0.000 2.051 333 F HA -0.217 4.308 4.527 -0.003 0.000 0.296 333 F C 2.413 178.251 175.800 0.065 0.000 1.122 333 F CA 1.666 59.689 58.000 0.038 0.000 1.201 333 F CB -0.326 38.682 39.000 0.013 0.000 0.978 333 F HN -0.004 nan 8.300 nan 0.000 0.472 334 A N 0.437 123.527 122.820 0.451 0.000 1.883 334 A HA -0.252 4.066 4.320 -0.003 0.000 0.217 334 A C 2.288 179.993 177.584 0.200 0.000 1.186 334 A CA 1.958 54.210 52.037 0.358 0.000 0.624 334 A CB -0.943 18.332 19.000 0.458 0.000 0.822 334 A HN 0.508 nan 8.150 nan 0.000 0.444 335 R N -0.469 120.191 120.500 0.266 0.000 2.081 335 R HA -0.059 4.279 4.340 -0.003 0.000 0.235 335 R C 2.265 178.444 176.300 -0.201 0.000 1.131 335 R CA 1.461 57.541 56.100 -0.034 0.000 0.960 335 R CB -0.418 29.894 30.300 0.020 0.000 0.856 335 R HN 0.429 nan 8.270 nan 0.000 0.436 336 A N 0.632 123.376 122.820 -0.126 0.000 1.902 336 A HA -0.086 4.233 4.320 -0.003 0.000 0.217 336 A C 2.350 179.808 177.584 -0.209 0.000 1.181 336 A CA 1.640 53.574 52.037 -0.172 0.000 0.623 336 A CB -0.810 18.083 19.000 -0.178 0.000 0.818 336 A HN 0.540 nan 8.150 nan 0.000 0.443 337 A N -0.133 122.525 122.820 -0.270 0.000 1.873 337 A HA 0.185 4.503 4.320 -0.003 0.000 0.215 337 A C 2.531 180.003 177.584 -0.187 0.000 1.186 337 A CA 2.095 54.000 52.037 -0.220 0.000 0.616 337 A CB -1.087 17.777 19.000 -0.228 0.000 0.823 337 A HN 1.044 nan 8.150 nan 0.000 0.442 338 A N 0.126 122.688 122.820 -0.430 0.000 1.877 338 A HA -0.224 4.095 4.320 -0.003 0.000 0.216 338 A C 1.827 179.065 177.584 -0.577 0.000 1.186 338 A CA 2.263 53.753 52.037 -0.911 0.000 0.620 338 A CB -0.869 17.168 19.000 -1.605 0.000 0.822 338 A HN 0.620 nan 8.150 nan 0.000 0.443 339 D N -1.587 118.538 120.400 -0.457 0.000 2.104 339 D HA -0.210 4.429 4.640 -0.003 0.000 0.194 339 D C 1.679 177.863 176.300 -0.195 0.000 0.994 339 D CA 1.639 55.448 54.000 -0.318 0.000 0.830 339 D CB -0.268 40.379 40.800 -0.255 0.000 0.959 339 D HN 0.386 nan 8.370 nan 0.000 0.452 340 F N 0.625 120.425 119.950 -0.250 0.000 2.134 340 F HA -0.032 4.493 4.527 -0.003 0.000 0.299 340 F C 2.187 177.869 175.800 -0.197 0.000 1.097 340 F CA 1.538 59.407 58.000 -0.219 0.000 1.264 340 F CB -0.368 38.502 39.000 -0.216 0.000 1.001 340 F HN 0.057 nan 8.300 nan 0.000 0.479 341 A N -0.782 122.119 122.820 0.134 0.000 1.969 341 A HA -0.155 4.163 4.320 -0.003 0.000 0.218 341 A C 1.950 179.460 177.584 -0.123 0.000 1.169 341 A CA 1.960 54.104 52.037 0.179 0.000 0.635 341 A CB -1.346 17.810 19.000 0.259 0.000 0.810 341 A HN 0.467 nan 8.150 nan 0.000 0.445 342 T N -5.298 109.163 114.554 -0.155 0.000 3.105 342 T HA 0.195 4.543 4.350 -0.003 0.000 0.253 342 T C 0.387 175.058 174.700 -0.049 0.000 1.047 342 T CA 0.397 62.438 62.100 -0.098 0.000 0.944 342 T CB -0.500 68.251 68.868 -0.195 0.000 1.016 342 T HN 0.592 nan 8.240 nan 0.000 0.544 343 H N 0.924 119.877 119.070 -0.194 0.000 2.820 343 H HA -0.206 4.348 4.556 -0.003 0.000 0.295 343 H C 1.611 176.827 175.328 -0.187 0.000 1.187 343 H CA 0.842 56.751 56.048 -0.232 0.000 1.144 343 H CB -1.868 27.781 29.762 -0.188 0.000 1.354 343 H HN 0.867 nan 8.280 nan 0.000 0.395 344 G N -0.067 108.655 108.800 -0.129 0.000 2.168 344 G HA2 -0.392 3.566 3.960 -0.003 0.000 0.263 344 G HA3 -0.392 3.566 3.960 -0.003 0.000 0.263 344 G C 1.259 176.093 174.900 -0.111 0.000 0.977 344 G CA 0.796 45.819 45.100 -0.129 0.000 0.659 344 G HN 0.390 nan 8.290 nan 0.000 0.533 345 K N -0.240 120.105 120.400 -0.092 0.000 2.459 345 K HA 0.302 4.620 4.320 -0.003 0.000 0.193 345 K C 2.198 178.737 176.600 -0.101 0.000 1.030 345 K CA 0.296 56.539 56.287 -0.074 0.000 1.026 345 K CB -0.007 32.468 32.500 -0.041 0.000 0.809 345 K HN 0.531 nan 8.250 nan 0.000 0.504 346 L N -0.007 121.114 121.223 -0.171 0.000 2.591 346 L HA 0.067 4.405 4.340 -0.003 0.000 0.228 346 L C 1.010 177.785 176.870 -0.158 0.000 1.133 346 L CA 0.167 54.876 54.840 -0.218 0.000 0.880 346 L CB -0.470 41.343 42.059 -0.410 0.000 1.033 346 L HN 0.285 nan 8.230 nan 0.000 0.450 347 G N 0.893 109.613 108.800 -0.134 0.000 2.598 347 G HA2 -0.352 3.606 3.960 -0.003 0.000 0.244 347 G HA3 -0.352 3.606 3.960 -0.003 0.000 0.244 347 G C -0.088 174.731 174.900 -0.135 0.000 1.302 347 G CA -0.265 44.773 45.100 -0.104 0.000 0.903 347 G HN 0.226 nan 8.290 nan 0.000 0.575 348 K N 0.430 120.772 120.400 -0.097 0.000 2.351 348 K HA 0.357 4.675 4.320 -0.003 0.000 0.287 348 K C 0.621 177.145 176.600 -0.126 0.000 1.068 348 K CA -0.241 55.984 56.287 -0.102 0.000 0.998 348 K CB -0.363 32.106 32.500 -0.051 0.000 0.968 348 K HN 0.419 nan 8.250 nan 0.000 0.464 349 L N 4.538 125.616 121.223 -0.241 0.000 2.367 349 L HA 0.138 4.476 4.340 -0.003 0.000 0.275 349 L C 0.284 177.076 176.870 -0.131 0.000 1.129 349 L CA -0.070 54.570 54.840 -0.332 0.000 0.839 349 L CB 0.775 42.284 42.059 -0.917 0.000 1.133 349 L HN 0.583 nan 8.230 nan 0.000 0.453 350 E N 3.334 123.571 120.200 0.062 0.000 2.176 350 E HA 0.319 4.667 4.350 -0.003 0.000 0.267 350 E C -0.791 175.981 176.600 0.288 0.000 0.893 350 E CA -0.715 55.784 56.400 0.166 0.000 0.761 350 E CB 1.660 31.444 29.700 0.140 0.000 1.133 350 E HN 0.175 nan 8.360 nan 0.000 0.409 351 F N 1.522 121.653 119.950 0.301 0.000 2.608 351 F HA 0.101 4.627 4.527 -0.003 0.000 0.380 351 F C 1.357 177.185 175.800 0.047 0.000 1.083 351 F CA 0.132 58.181 58.000 0.083 0.000 1.266 351 F CB 0.383 39.371 39.000 -0.021 0.000 1.076 351 F HN 0.413 nan 8.300 nan 0.000 0.574 352 A N 3.936 126.865 122.820 0.181 0.000 2.386 352 A HA 0.265 4.583 4.320 -0.003 0.000 0.246 352 A C -0.104 177.514 177.584 0.056 0.000 1.089 352 A CA -0.561 51.528 52.037 0.086 0.000 0.790 352 A CB 0.234 19.246 19.000 0.019 0.000 1.042 352 A HN 0.774 nan 8.150 nan 0.000 0.497 353 Q N 0.325 120.120 119.800 -0.009 0.000 2.235 353 Q HA 0.336 4.674 4.340 -0.003 0.000 0.250 353 Q C -0.674 175.281 176.000 -0.076 0.000 0.909 353 Q CA -0.733 55.056 55.803 -0.023 0.000 0.910 353 Q CB 1.252 29.984 28.738 -0.009 0.000 1.223 353 Q HN 0.857 nan 8.270 nan 0.000 0.432 354 D N 0.646 121.031 120.400 -0.026 0.000 2.447 354 D HA 0.134 4.772 4.640 -0.003 0.000 0.265 354 D C 0.612 176.946 176.300 0.056 0.000 1.250 354 D CA -0.300 53.712 54.000 0.020 0.000 1.046 354 D CB 0.381 41.216 40.800 0.058 0.000 1.095 354 D HN 0.486 nan 8.370 nan 0.000 0.555 355 A N -0.695 122.201 122.820 0.127 0.000 2.131 355 A HA -0.147 4.171 4.320 -0.003 0.000 0.220 355 A C 1.892 179.517 177.584 0.068 0.000 1.158 355 A CA 1.223 53.334 52.037 0.122 0.000 0.665 355 A CB -0.546 18.532 19.000 0.130 0.000 0.795 355 A HN 0.358 nan 8.150 nan 0.000 0.460 356 R N -1.928 118.602 120.500 0.050 0.000 2.432 356 R HA 0.303 4.642 4.340 -0.003 0.000 0.260 356 R C 1.130 177.440 176.300 0.017 0.000 0.935 356 R CA 0.721 56.839 56.100 0.030 0.000 1.080 356 R CB 0.109 30.424 30.300 0.026 0.000 1.155 356 R HN 0.690 nan 8.270 nan 0.000 0.531 357 G N 0.775 109.584 108.800 0.015 0.000 2.141 357 G HA2 -0.321 3.637 3.960 -0.003 0.000 0.242 357 G HA3 -0.321 3.637 3.960 -0.003 0.000 0.242 357 G C -0.105 174.793 174.900 -0.004 0.000 0.982 357 G CA 0.018 45.122 45.100 0.007 0.000 0.662 357 G HN 0.292 nan 8.290 nan 0.000 0.527 358 R N 0.305 120.797 120.500 -0.014 0.000 2.573 358 R HA 0.529 4.867 4.340 -0.003 0.000 0.272 358 R C -2.663 173.599 176.300 -0.062 0.000 1.009 358 R CA -2.097 53.979 56.100 -0.041 0.000 1.059 358 R CB 0.728 30.999 30.300 -0.048 0.000 1.112 358 R HN 0.034 nan 8.270 nan 0.000 0.517 359 P HA -0.084 nan 4.420 nan 0.000 0.264 359 P C -0.781 176.382 177.300 -0.229 0.000 1.193 359 P CA 0.207 63.187 63.100 -0.201 0.000 0.763 359 P CB 0.394 31.818 31.700 -0.460 0.000 0.810 360 D N 3.896 124.246 120.400 -0.083 0.000 2.508 360 D HA 0.170 4.809 4.640 -0.003 0.000 0.224 360 D C -0.961 175.333 176.300 -0.010 0.000 1.171 360 D CA 0.304 54.295 54.000 -0.014 0.000 1.006 360 D CB -0.377 40.449 40.800 0.044 0.000 1.073 360 D HN -0.033 nan 8.370 nan 0.000 0.513 361 V N 1.559 121.410 119.914 -0.105 0.000 2.888 361 V HA 0.862 4.981 4.120 -0.003 0.000 0.309 361 V C -1.604 174.452 176.094 -0.063 0.000 1.114 361 V CA -0.378 61.892 62.300 -0.049 0.000 0.940 361 V CB 1.707 33.448 31.823 -0.137 0.000 1.021 361 V HN 0.508 nan 8.190 nan 0.000 0.426 362 A N 4.568 127.376 122.820 -0.020 0.000 2.574 362 A HA 0.993 5.312 4.320 -0.003 0.000 0.297 362 A C -0.664 176.725 177.584 -0.325 0.000 1.062 362 A CA -0.139 51.775 52.037 -0.205 0.000 0.686 362 A CB 1.794 20.660 19.000 -0.222 0.000 1.285 362 A HN 2.165 nan 8.150 nan 0.000 0.403 363 A N 0.869 123.386 122.820 -0.506 0.000 2.312 363 A HA 0.887 5.205 4.320 -0.003 0.000 0.326 363 A C -1.074 176.091 177.584 -0.699 0.000 1.172 363 A CA -0.237 51.529 52.037 -0.451 0.000 0.821 363 A CB 0.164 18.976 19.000 -0.315 0.000 1.166 363 A HN 0.859 nan 8.150 nan 0.000 0.493 364 F N 0.199 120.023 119.950 -0.210 0.000 2.576 364 F HA 0.355 4.880 4.527 -0.003 0.000 0.313 364 F C -0.078 175.581 175.800 -0.235 0.000 1.078 364 F CA -0.747 57.152 58.000 -0.169 0.000 0.921 364 F CB 1.932 40.859 39.000 -0.122 0.000 1.232 364 F HN 0.562 nan 8.300 nan 0.000 0.459 365 D N 1.446 121.920 120.400 0.123 0.000 2.339 365 D HA 0.147 4.785 4.640 -0.003 0.000 0.256 365 D C -0.146 176.319 176.300 0.275 0.000 1.214 365 D CA 0.235 54.298 54.000 0.105 0.000 0.877 365 D CB 0.254 41.106 40.800 0.085 0.000 1.111 365 D HN 0.243 nan 8.370 nan 0.000 0.478 366 F N 2.287 122.228 119.950 -0.016 0.000 2.639 366 F HA 0.131 4.657 4.527 -0.003 0.000 0.300 366 F C 2.027 177.861 175.800 0.056 0.000 1.109 366 F CA -0.162 57.846 58.000 0.013 0.000 1.335 366 F CB -0.159 38.908 39.000 0.111 0.000 1.014 366 F HN 0.311 nan 8.300 nan 0.000 0.537 367 T N -1.590 113.075 114.554 0.185 0.000 2.939 367 T HA 0.017 4.366 4.350 -0.003 0.000 0.254 367 T C 0.950 175.677 174.700 0.045 0.000 1.041 367 T CA 0.843 62.997 62.100 0.090 0.000 1.142 367 T CB 0.071 68.974 68.868 0.058 0.000 0.874 367 T HN -0.065 nan 8.240 nan 0.000 0.452 368 S N 1.833 117.563 115.700 0.050 0.000 2.451 368 S HA 0.619 5.087 4.470 -0.003 0.000 0.301 368 S C -0.580 174.035 174.600 0.024 0.000 1.116 368 S CA -0.656 57.561 58.200 0.028 0.000 1.093 368 S CB 0.985 64.205 63.200 0.033 0.000 1.017 368 S HN 0.148 nan 8.310 nan 0.000 0.482 369 M N 3.460 123.067 119.600 0.012 0.000 2.197 369 M HA 0.451 4.929 4.480 -0.003 0.000 0.301 369 M C -0.892 175.420 176.300 0.021 0.000 0.987 369 M CA -0.175 55.133 55.300 0.013 0.000 0.921 369 M CB 1.396 33.993 32.600 -0.005 0.000 1.569 369 M HN 0.524 nan 8.290 nan 0.000 0.431 370 M N 3.795 123.414 119.600 0.032 0.000 2.363 370 M HA 0.613 5.092 4.480 -0.003 0.000 0.343 370 M C -0.263 176.066 176.300 0.048 0.000 1.165 370 M CA -0.363 54.959 55.300 0.036 0.000 1.046 370 M CB 2.022 34.643 32.600 0.035 0.000 1.648 370 M HN 0.592 nan 8.290 nan 0.000 0.452 371 R N 1.869 122.404 120.500 0.058 0.000 2.566 371 R HA 0.781 5.119 4.340 -0.003 0.000 0.271 371 R C -1.470 174.901 176.300 0.118 0.000 1.071 371 R CA -0.957 55.200 56.100 0.096 0.000 0.915 371 R CB 1.128 31.492 30.300 0.106 0.000 1.228 371 R HN 0.696 nan 8.270 nan 0.000 0.449 372 A N 1.821 124.720 122.820 0.130 0.000 2.498 372 A HA 0.050 4.368 4.320 -0.003 0.000 0.239 372 A C 0.843 178.568 177.584 0.236 0.000 1.068 372 A CA -0.085 52.022 52.037 0.117 0.000 0.766 372 A CB 0.403 19.393 19.000 -0.016 0.000 1.003 372 A HN 1.050 nan 8.150 nan 0.000 0.497 373 E N 0.572 120.889 120.200 0.195 0.000 2.150 373 E HA -0.069 4.279 4.350 -0.003 0.000 0.193 373 E C 0.712 177.485 176.600 0.290 0.000 0.985 373 E CA 1.194 57.717 56.400 0.204 0.000 0.814 373 E CB 0.074 29.852 29.700 0.130 0.000 0.752 373 E HN 0.797 nan 8.360 nan 0.000 0.466 374 S N -1.468 114.377 115.700 0.242 0.000 2.595 374 S HA 0.267 4.736 4.470 -0.003 0.000 0.281 374 S C 0.330 174.895 174.600 -0.058 0.000 1.117 374 S CA -0.240 58.061 58.200 0.168 0.000 0.873 374 S CB 1.699 64.978 63.200 0.131 0.000 1.108 374 S HN 0.063 nan 8.310 nan 0.000 0.477 375 S N 0.335 115.836 115.700 -0.331 0.000 2.556 375 S HA 0.628 5.096 4.470 -0.003 0.000 0.216 375 S C 0.482 175.037 174.600 -0.075 0.000 0.970 375 S CA 0.073 57.990 58.200 -0.471 0.000 0.912 375 S CB -0.329 62.410 63.200 -0.769 0.000 0.790 375 S HN 1.602 nan 8.310 nan 0.000 0.504 376 A N 0.674 123.582 122.820 0.147 0.000 2.605 376 A HA 0.832 5.151 4.320 -0.003 0.000 0.294 376 A C -0.862 176.742 177.584 0.033 0.000 1.062 376 A CA -1.062 51.068 52.037 0.155 0.000 0.682 376 A CB 1.261 20.258 19.000 -0.005 0.000 1.278 376 A HN 0.318 nan 8.150 nan 0.000 0.410 377 R N -0.464 119.979 120.500 -0.094 0.000 2.764 377 R HA 0.739 5.077 4.340 -0.003 0.000 0.270 377 R C -1.705 174.480 176.300 -0.191 0.000 1.014 377 R CA -0.810 55.142 56.100 -0.246 0.000 0.904 377 R CB 2.508 32.468 30.300 -0.567 0.000 1.236 377 R HN 0.505 nan 8.270 nan 0.000 0.466 378 V N 1.605 121.448 119.914 -0.118 0.000 2.656 378 V HA 0.398 4.517 4.120 -0.003 0.000 0.307 378 V C -0.756 175.380 176.094 0.070 0.000 1.051 378 V CA -0.802 61.453 62.300 -0.074 0.000 0.893 378 V CB 1.946 33.710 31.823 -0.099 0.000 0.999 378 V HN 0.642 nan 8.190 nan 0.000 0.426 379 Q N 2.729 122.517 119.800 -0.019 0.000 2.365 379 Q HA 0.611 4.949 4.340 -0.003 0.000 0.269 379 Q C -1.037 175.114 176.000 0.251 0.000 1.061 379 Q CA -0.640 55.193 55.803 0.049 0.000 0.816 379 Q CB 3.073 31.679 28.738 -0.221 0.000 1.325 379 Q HN 0.691 nan 8.270 nan 0.000 0.446 380 E N 2.628 123.060 120.200 0.387 0.000 2.272 380 E HA 0.420 4.768 4.350 -0.003 0.000 0.269 380 E C -1.831 174.972 176.600 0.339 0.000 0.877 380 E CA -0.476 56.190 56.400 0.442 0.000 0.755 380 E CB 1.965 31.881 29.700 0.359 0.000 1.192 380 E HN 0.516 nan 8.360 nan 0.000 0.422 381 K N 2.718 123.279 120.400 0.269 0.000 2.525 381 K HA 0.265 4.583 4.320 -0.003 0.000 0.254 381 K C -0.847 175.712 176.600 -0.070 0.000 0.934 381 K CA -0.560 55.692 56.287 -0.058 0.000 0.802 381 K CB 0.742 33.111 32.500 -0.220 0.000 1.295 381 K HN 0.625 nan 8.250 nan 0.000 0.433 382 H N 1.417 120.467 119.070 -0.033 0.000 2.741 382 H HA -0.211 4.343 4.556 -0.003 0.000 0.305 382 H C 0.743 176.060 175.328 -0.019 0.000 1.169 382 H CA 1.663 57.683 56.048 -0.046 0.000 1.144 382 H CB -1.233 28.470 29.762 -0.098 0.000 1.397 382 H HN 1.127 nan 8.280 nan 0.000 0.409 383 G N -1.734 107.125 108.800 0.098 0.000 2.205 383 G HA2 -0.180 3.778 3.960 -0.003 0.000 0.261 383 G HA3 -0.180 3.778 3.960 -0.003 0.000 0.261 383 G C 0.439 175.410 174.900 0.119 0.000 0.980 383 G CA 0.381 45.537 45.100 0.092 0.000 0.632 383 G HN 1.250 nan 8.290 nan 0.000 0.533 384 A N 0.956 123.870 122.820 0.156 0.000 2.249 384 A HA 0.758 5.076 4.320 -0.003 0.000 0.314 384 A C 0.581 178.449 177.584 0.473 0.000 1.290 384 A CA -0.462 51.716 52.037 0.234 0.000 0.893 384 A CB 0.460 19.534 19.000 0.123 0.000 1.165 384 A HN 0.414 nan 8.150 nan 0.000 0.530 385 R N 1.656 122.395 120.500 0.397 0.000 2.349 385 R HA 0.534 4.872 4.340 -0.003 0.000 0.299 385 R C -1.320 175.213 176.300 0.388 0.000 1.027 385 R CA -0.718 55.642 56.100 0.433 0.000 0.958 385 R CB 1.449 31.971 30.300 0.369 0.000 1.047 385 R HN 0.540 nan 8.270 nan 0.000 0.468 386 L N 3.542 124.798 121.223 0.056 0.000 2.356 386 L HA 0.363 4.701 4.340 -0.003 0.000 0.277 386 L C -1.426 175.234 176.870 -0.350 0.000 0.996 386 L CA -0.944 53.723 54.840 -0.289 0.000 0.822 386 L CB 1.692 43.128 42.059 -1.039 0.000 1.256 386 L HN 0.485 nan 8.230 nan 0.000 0.413 387 L N 5.820 126.670 121.223 -0.620 0.000 2.265 387 L HA 0.599 4.938 4.340 -0.003 0.000 0.288 387 L C -1.351 175.241 176.870 -0.463 0.000 1.058 387 L CA 0.070 54.390 54.840 -0.867 0.000 0.809 387 L CB 0.957 41.981 42.059 -1.725 0.000 1.179 387 L HN 0.598 nan 8.230 nan 0.000 0.429 388 L N 5.532 126.584 121.223 -0.284 0.000 2.313 388 L HA 0.837 5.175 4.340 -0.003 0.000 0.283 388 L C 0.480 177.344 176.870 -0.009 0.000 1.013 388 L CA -0.009 54.778 54.840 -0.088 0.000 0.816 388 L CB 1.664 43.766 42.059 0.072 0.000 1.236 388 L HN 0.736 nan 8.230 nan 0.000 0.419 389 G N 3.301 112.055 108.800 -0.077 0.000 2.524 389 G HA2 0.750 4.708 3.960 -0.003 0.000 0.310 389 G HA3 0.750 4.708 3.960 -0.003 0.000 0.310 389 G C -1.256 173.524 174.900 -0.200 0.000 1.279 389 G CA -0.593 44.444 45.100 -0.105 0.000 0.974 389 G HN 0.375 nan 8.290 nan 0.000 0.484 390 L N 1.241 122.297 121.223 -0.278 0.000 2.317 390 L HA 0.707 5.046 4.340 -0.003 0.000 0.281 390 L C -0.505 176.226 176.870 -0.231 0.000 1.024 390 L CA -1.094 53.538 54.840 -0.346 0.000 0.810 390 L CB 2.012 43.760 42.059 -0.518 0.000 1.240 390 L HN 0.153 nan 8.230 nan 0.000 0.427 391 V N 1.757 121.563 119.914 -0.181 0.000 2.760 391 V HA 0.877 4.995 4.120 -0.003 0.000 0.309 391 V C 0.404 176.442 176.094 -0.093 0.000 1.077 391 V CA 0.182 62.409 62.300 -0.121 0.000 0.910 391 V CB 1.444 33.203 31.823 -0.106 0.000 1.008 391 V HN 1.069 nan 8.190 nan 0.000 0.424 392 G N 4.370 113.134 108.800 -0.060 0.000 2.508 392 G HA2 -0.171 3.787 3.960 -0.003 0.000 0.220 392 G HA3 -0.171 3.787 3.960 -0.003 0.000 0.220 392 G C 0.180 175.065 174.900 -0.025 0.000 1.287 392 G CA 0.293 45.370 45.100 -0.038 0.000 0.916 392 G HN 0.618 nan 8.290 nan 0.000 0.574 393 D N -0.063 120.331 120.400 -0.009 0.000 2.228 393 D HA -0.128 4.511 4.640 -0.003 0.000 0.203 393 D C 2.539 178.845 176.300 0.011 0.000 0.988 393 D CA 2.241 56.254 54.000 0.022 0.000 0.864 393 D CB -0.568 40.262 40.800 0.051 0.000 0.928 393 D HN 0.981 nan 8.370 nan 0.000 0.469 394 C N -0.723 118.563 119.300 -0.023 0.000 2.500 394 C HA 0.237 4.695 4.460 -0.003 0.000 0.273 394 C C 2.272 177.198 174.990 -0.107 0.000 1.428 394 C CA -0.478 58.507 59.018 -0.056 0.000 1.766 394 C CB -1.161 26.536 27.740 -0.072 0.000 1.817 394 C HN 0.192 nan 8.230 nan 0.000 0.543 395 L N 2.306 123.472 121.223 -0.095 0.000 2.121 395 L HA 0.377 4.715 4.340 -0.003 0.000 0.200 395 L C 0.737 177.620 176.870 0.022 0.000 1.077 395 L CA 1.885 56.663 54.840 -0.104 0.000 0.766 395 L CB -0.028 41.951 42.059 -0.134 0.000 0.931 395 L HN 0.444 nan 8.230 nan 0.000 0.452 396 V N -1.693 118.254 119.914 0.055 0.000 2.623 396 V HA 0.487 4.606 4.120 -0.003 0.000 0.304 396 V C -0.504 175.630 176.094 0.067 0.000 1.054 396 V CA -0.863 61.490 62.300 0.089 0.000 0.882 396 V CB 1.293 33.194 31.823 0.131 0.000 1.002 396 V HN 0.287 nan 8.190 nan 0.000 0.424 397 E N 6.274 126.514 120.200 0.067 0.000 2.259 397 E HA 0.424 4.772 4.350 -0.003 0.000 0.281 397 E C -2.340 174.314 176.600 0.090 0.000 1.037 397 E CA -1.857 54.588 56.400 0.074 0.000 0.854 397 E CB 1.410 31.145 29.700 0.058 0.000 1.051 397 E HN 0.715 nan 8.360 nan 0.000 0.409 398 P HA 0.075 nan 4.420 nan 0.000 0.281 398 P C -0.959 176.425 177.300 0.140 0.000 1.249 398 P CA -0.361 62.834 63.100 0.158 0.000 0.810 398 P CB 0.478 32.287 31.700 0.182 0.000 1.008 399 F N 3.277 123.203 119.950 -0.041 0.000 2.368 399 F HA 0.228 4.754 4.527 -0.003 0.000 0.362 399 F C 0.632 176.387 175.800 -0.075 0.000 1.137 399 F CA -0.625 57.246 58.000 -0.215 0.000 1.161 399 F CB 0.124 39.035 39.000 -0.149 0.000 1.265 399 F HN 0.284 nan 8.300 nan 0.000 0.530 400 W N 4.947 125.781 121.300 -0.776 0.000 2.318 400 W HA -0.151 4.507 4.660 -0.003 0.000 0.313 400 W C -0.446 175.841 176.519 -0.387 0.000 1.221 400 W CA 1.246 58.302 57.345 -0.481 0.000 1.266 400 W CB -2.394 26.842 29.460 -0.374 0.000 1.150 400 W HN 0.434 nan 8.180 nan 0.000 0.496 401 P HA -0.142 nan 4.420 nan 0.000 0.221 401 P C 1.751 179.060 177.300 0.014 0.000 1.145 401 P CA 1.552 64.558 63.100 -0.157 0.000 0.795 401 P CB -0.297 31.261 31.700 -0.236 0.000 0.775 402 L N -2.813 118.454 121.223 0.073 0.000 2.558 402 L HA 0.224 4.562 4.340 -0.003 0.000 0.225 402 L C 1.332 178.332 176.870 0.216 0.000 1.128 402 L CA 0.589 55.551 54.840 0.204 0.000 0.868 402 L CB -0.837 41.423 42.059 0.335 0.000 1.006 402 L HN 0.099 nan 8.230 nan 0.000 0.454 403 G N 0.690 109.617 108.800 0.211 0.000 2.198 403 G HA2 -0.321 3.638 3.960 -0.003 0.000 0.257 403 G HA3 -0.321 3.638 3.960 -0.003 0.000 0.257 403 G C 0.782 175.906 174.900 0.372 0.000 1.042 403 G CA 0.625 45.902 45.100 0.295 0.000 0.791 403 G HN 0.405 nan 8.290 nan 0.000 0.502 404 T N -3.150 111.561 114.554 0.261 0.000 3.107 404 T HA 0.392 4.740 4.350 -0.003 0.000 0.249 404 T C 2.276 176.901 174.700 -0.124 0.000 1.096 404 T CA 1.134 63.314 62.100 0.133 0.000 1.012 404 T CB 0.521 69.528 68.868 0.233 0.000 0.977 404 T HN 1.021 nan 8.240 nan 0.000 0.527 405 G N 1.802 110.551 108.800 -0.084 0.000 2.433 405 G HA2 -0.135 3.823 3.960 -0.003 0.000 0.216 405 G HA3 -0.135 3.823 3.960 -0.003 0.000 0.216 405 G C 1.481 176.221 174.900 -0.266 0.000 1.186 405 G CA 1.021 46.044 45.100 -0.127 0.000 0.779 405 G HN 0.449 nan 8.290 nan 0.000 0.543 406 V N 1.612 121.285 119.914 -0.401 0.000 2.307 406 V HA -0.088 4.030 4.120 -0.003 0.000 0.245 406 V C 3.338 178.963 176.094 -0.781 0.000 1.045 406 V CA 1.978 63.889 62.300 -0.648 0.000 1.024 406 V CB -0.929 30.428 31.823 -0.776 0.000 0.651 406 V HN 0.486 nan 8.190 nan 0.000 0.449 407 A N 0.221 122.536 122.820 -0.842 0.000 1.865 407 A HA -0.254 4.064 4.320 -0.003 0.000 0.217 407 A C 2.384 179.717 177.584 -0.419 0.000 1.191 407 A CA 2.107 53.607 52.037 -0.894 0.000 0.623 407 A CB -0.522 17.221 19.000 -2.095 0.000 0.826 407 A HN 0.513 nan 8.150 nan 0.000 0.444 408 R N -1.065 119.195 120.500 -0.400 0.000 2.115 408 R HA -0.036 4.302 4.340 -0.003 0.000 0.226 408 R C 2.386 178.647 176.300 -0.066 0.000 1.100 408 R CA 0.836 56.848 56.100 -0.146 0.000 0.980 408 R CB -0.532 29.729 30.300 -0.065 0.000 0.875 408 R HN 0.543 nan 8.270 nan 0.000 0.445 409 G N 0.871 109.614 108.800 -0.094 0.000 2.421 409 G HA2 -0.243 3.716 3.960 -0.003 0.000 0.216 409 G HA3 -0.243 3.716 3.960 -0.003 0.000 0.216 409 G C 1.044 175.978 174.900 0.057 0.000 1.171 409 G CA 0.538 45.629 45.100 -0.016 0.000 0.775 409 G HN 0.128 nan 8.290 nan 0.000 0.543 410 F N 0.842 120.616 119.950 -0.293 0.000 2.146 410 F HA 0.146 4.672 4.527 -0.002 0.000 0.298 410 F C 2.693 178.018 175.800 -0.792 0.000 1.096 410 F CA 0.104 57.784 58.000 -0.533 0.000 1.275 410 F CB -0.864 37.877 39.000 -0.433 0.000 1.008 410 F HN 0.028 nan 8.300 nan 0.000 0.480 411 L N -0.493 120.634 121.223 -0.160 0.000 2.042 411 L HA -0.221 4.118 4.340 -0.003 0.000 0.210 411 L C 2.690 179.549 176.870 -0.018 0.000 1.076 411 L CA 1.286 56.063 54.840 -0.104 0.000 0.749 411 L CB -1.094 41.001 42.059 0.059 0.000 0.893 411 L HN 0.099 nan 8.230 nan 0.000 0.432 412 A N 0.026 122.842 122.820 -0.007 0.000 1.933 412 A HA -0.178 4.140 4.320 -0.003 0.000 0.218 412 A C 2.549 180.125 177.584 -0.013 0.000 1.175 412 A CA 1.739 53.787 52.037 0.017 0.000 0.628 412 A CB -0.678 18.320 19.000 -0.003 0.000 0.814 412 A HN 0.413 nan 8.150 nan 0.000 0.444 413 A N -0.649 122.110 122.820 -0.101 0.000 1.877 413 A HA -0.002 4.316 4.320 -0.003 0.000 0.216 413 A C 1.905 179.552 177.584 0.104 0.000 1.186 413 A CA 1.696 53.684 52.037 -0.082 0.000 0.620 413 A CB -0.744 18.121 19.000 -0.225 0.000 0.822 413 A HN 0.447 nan 8.150 nan 0.000 0.443 414 F N 0.891 120.882 119.950 0.069 0.000 2.102 414 F HA -0.114 4.411 4.527 -0.003 0.000 0.298 414 F C 2.071 177.949 175.800 0.129 0.000 1.105 414 F CA 1.027 59.078 58.000 0.084 0.000 1.239 414 F CB -1.237 37.793 39.000 0.049 0.000 0.991 414 F HN 0.224 nan 8.300 nan 0.000 0.474 415 D N 0.143 120.728 120.400 0.309 0.000 2.144 415 D HA -0.110 4.529 4.640 -0.003 0.000 0.199 415 D C 2.357 178.805 176.300 0.247 0.000 0.984 415 D CA 1.409 55.575 54.000 0.277 0.000 0.834 415 D CB -0.606 40.332 40.800 0.230 0.000 0.955 415 D HN 0.216 nan 8.370 nan 0.000 0.465 416 A N 1.035 123.947 122.820 0.152 0.000 1.898 416 A HA -0.008 4.311 4.320 -0.003 0.000 0.216 416 A C 2.318 179.968 177.584 0.109 0.000 1.181 416 A CA 2.096 54.181 52.037 0.080 0.000 0.620 416 A CB -0.714 18.290 19.000 0.006 0.000 0.819 416 A HN 0.230 nan 8.150 nan 0.000 0.442 417 A N -1.171 121.749 122.820 0.167 0.000 1.902 417 A HA -0.178 4.140 4.320 -0.003 0.000 0.217 417 A C 2.109 179.817 177.584 0.207 0.000 1.181 417 A CA 1.349 53.489 52.037 0.172 0.000 0.623 417 A CB -0.927 18.205 19.000 0.219 0.000 0.818 417 A HN 0.865 nan 8.150 nan 0.000 0.443 418 W N 0.321 121.669 121.300 0.080 0.000 2.335 418 W HA -0.244 4.415 4.660 -0.001 0.000 0.311 418 W C 2.145 178.701 176.519 0.062 0.000 1.213 418 W CA 2.104 59.486 57.345 0.061 0.000 1.274 418 W CB -0.420 29.078 29.460 0.064 0.000 1.148 418 W HN 0.427 nan 8.180 nan 0.000 0.498 419 M N 0.692 120.376 119.600 0.140 0.000 2.089 419 M HA -0.273 4.205 4.480 -0.003 0.000 0.257 419 M C 1.816 178.102 176.300 -0.023 0.000 1.071 419 M CA 2.448 57.759 55.300 0.018 0.000 1.096 419 M CB -0.636 31.998 32.600 0.056 0.000 1.330 419 M HN -0.130 nan 8.290 nan 0.000 0.403 420 V N 0.583 120.493 119.914 -0.007 0.000 2.407 420 V HA -0.296 3.823 4.120 -0.003 0.000 0.248 420 V C 2.329 178.460 176.094 0.062 0.000 1.055 420 V CA 2.219 64.531 62.300 0.021 0.000 1.049 420 V CB -0.910 30.916 31.823 0.005 0.000 0.662 420 V HN 0.555 nan 8.190 nan 0.000 0.455 421 K N -0.059 120.317 120.400 -0.041 0.000 2.063 421 K HA -0.224 4.094 4.320 -0.003 0.000 0.208 421 K C 2.417 178.910 176.600 -0.178 0.000 1.048 421 K CA 1.421 57.634 56.287 -0.122 0.000 0.928 421 K CB -0.092 32.264 32.500 -0.240 0.000 0.713 421 K HN 0.247 nan 8.250 nan 0.000 0.442 422 R N 0.184 120.523 120.500 -0.269 0.000 2.081 422 R HA -0.170 4.168 4.340 -0.003 0.000 0.235 422 R C 2.080 178.369 176.300 -0.017 0.000 1.131 422 R CA 1.353 57.326 56.100 -0.213 0.000 0.960 422 R CB -0.909 29.241 30.300 -0.251 0.000 0.856 422 R HN 0.575 nan 8.270 nan 0.000 0.436 423 W N 1.521 122.732 121.300 -0.148 0.000 2.333 423 W HA -0.224 4.436 4.660 -0.000 0.000 0.316 423 W C 1.819 178.288 176.519 -0.083 0.000 1.215 423 W CA 1.914 59.197 57.345 -0.102 0.000 1.278 423 W CB -0.177 29.235 29.460 -0.080 0.000 1.154 423 W HN 0.119 nan 8.180 nan 0.000 0.486 424 A N 0.578 123.460 122.820 0.103 0.000 2.019 424 A HA -0.213 4.105 4.320 -0.003 0.000 0.219 424 A C 1.692 179.227 177.584 -0.083 0.000 1.164 424 A CA 1.713 53.744 52.037 -0.010 0.000 0.644 424 A CB -0.874 18.162 19.000 0.060 0.000 0.805 424 A HN 0.505 nan 8.150 nan 0.000 0.449 425 E N -1.400 118.747 120.200 -0.088 0.000 2.478 425 E HA 0.161 4.509 4.350 -0.003 0.000 0.198 425 E C 1.154 177.682 176.600 -0.120 0.000 1.046 425 E CA 0.328 56.668 56.400 -0.100 0.000 0.870 425 E CB -0.207 29.427 29.700 -0.110 0.000 0.818 425 E HN 0.766 nan 8.360 nan 0.000 0.527 426 G N 0.816 109.512 108.800 -0.174 0.000 2.132 426 G HA2 -0.309 3.650 3.960 -0.003 0.000 0.234 426 G HA3 -0.309 3.650 3.960 -0.003 0.000 0.234 426 G C 0.331 175.127 174.900 -0.173 0.000 0.989 426 G CA -0.042 44.934 45.100 -0.207 0.000 0.676 426 G HN 0.469 nan 8.290 nan 0.000 0.522 427 A N 0.300 123.038 122.820 -0.136 0.000 2.498 427 A HA 0.629 4.947 4.320 -0.003 0.000 0.239 427 A C 1.386 178.904 177.584 -0.109 0.000 1.068 427 A CA 0.993 52.977 52.037 -0.089 0.000 0.766 427 A CB 0.265 19.236 19.000 -0.048 0.000 1.003 427 A HN 1.880 nan 8.150 nan 0.000 0.497 428 G N 1.986 110.737 108.800 -0.082 0.000 2.554 428 G HA2 0.372 4.330 3.960 -0.003 0.000 0.238 428 G HA3 0.372 4.330 3.960 -0.003 0.000 0.238 428 G C -1.473 173.377 174.900 -0.084 0.000 1.259 428 G CA -0.624 44.419 45.100 -0.094 0.000 0.843 428 G HN 0.492 nan 8.290 nan 0.000 0.582 429 P HA -0.114 nan 4.420 nan 0.000 0.215 429 P C 2.124 179.332 177.300 -0.154 0.000 1.153 429 P CA 0.820 63.811 63.100 -0.182 0.000 0.853 429 P CB 0.124 31.388 31.700 -0.726 0.000 0.788 430 L N -0.860 120.286 121.223 -0.128 0.000 2.083 430 L HA -0.183 4.155 4.340 -0.003 0.000 0.209 430 L C 2.568 179.444 176.870 0.010 0.000 1.083 430 L CA 1.438 56.270 54.840 -0.014 0.000 0.752 430 L CB -0.824 41.269 42.059 0.056 0.000 0.899 430 L HN -0.012 nan 8.230 nan 0.000 0.433 431 E N 0.265 120.469 120.200 0.007 0.000 2.072 431 E HA -0.144 4.204 4.350 -0.003 0.000 0.191 431 E C 2.100 178.723 176.600 0.039 0.000 0.985 431 E CA 1.168 57.582 56.400 0.023 0.000 0.801 431 E CB -0.149 29.558 29.700 0.013 0.000 0.750 431 E HN 0.168 nan 8.360 nan 0.000 0.452 432 V N 0.839 120.781 119.914 0.046 0.000 2.255 432 V HA -0.274 3.845 4.120 -0.003 0.000 0.247 432 V C 2.529 178.656 176.094 0.055 0.000 1.051 432 V CA 1.890 64.234 62.300 0.073 0.000 1.018 432 V CB -0.567 31.357 31.823 0.167 0.000 0.641 432 V HN 0.305 nan 8.190 nan 0.000 0.445 433 L N -0.076 121.165 121.223 0.030 0.000 2.046 433 L HA -0.182 4.156 4.340 -0.003 0.000 0.208 433 L C 2.718 179.615 176.870 0.045 0.000 1.077 433 L CA 1.679 56.532 54.840 0.021 0.000 0.747 433 L CB -0.784 41.275 42.059 0.001 0.000 0.896 433 L HN 0.375 nan 8.230 nan 0.000 0.432 434 A N -0.196 122.653 122.820 0.048 0.000 1.898 434 A HA -0.207 4.112 4.320 -0.003 0.000 0.216 434 A C 2.146 179.771 177.584 0.069 0.000 1.181 434 A CA 1.566 53.636 52.037 0.055 0.000 0.620 434 A CB -0.417 18.612 19.000 0.047 0.000 0.819 434 A HN 0.448 nan 8.150 nan 0.000 0.442 435 E N -0.821 119.428 120.200 0.083 0.000 2.038 435 E HA -0.250 4.099 4.350 -0.003 0.000 0.195 435 E C 2.302 178.980 176.600 0.131 0.000 1.000 435 E CA 1.426 57.896 56.400 0.117 0.000 0.803 435 E CB -0.180 29.614 29.700 0.157 0.000 0.750 435 E HN 0.483 nan 8.360 nan 0.000 0.448 436 R N 1.378 121.953 120.500 0.126 0.000 2.083 436 R HA -0.166 4.173 4.340 -0.003 0.000 0.237 436 R C 1.998 178.371 176.300 0.121 0.000 1.137 436 R CA 1.539 57.715 56.100 0.125 0.000 0.951 436 R CB -0.214 30.134 30.300 0.081 0.000 0.851 436 R HN 0.049 nan 8.270 nan 0.000 0.434 437 E N 0.016 120.282 120.200 0.110 0.000 2.153 437 E HA -0.092 4.256 4.350 -0.003 0.000 0.194 437 E C 2.035 178.701 176.600 0.110 0.000 0.988 437 E CA 1.372 57.859 56.400 0.145 0.000 0.811 437 E CB -0.219 29.551 29.700 0.117 0.000 0.746 437 E HN 0.315 nan 8.360 nan 0.000 0.466 438 S N 0.938 116.677 115.700 0.066 0.000 2.368 438 S HA -0.094 4.374 4.470 -0.003 0.000 0.225 438 S C 2.118 176.697 174.600 -0.035 0.000 1.030 438 S CA 0.783 58.993 58.200 0.016 0.000 0.999 438 S CB -0.185 63.028 63.200 0.021 0.000 0.844 438 S HN 0.204 nan 8.310 nan 0.000 0.459 439 L N -0.316 120.900 121.223 -0.013 0.000 2.027 439 L HA -0.100 4.238 4.340 -0.003 0.000 0.206 439 L C 2.385 179.208 176.870 -0.078 0.000 1.074 439 L CA 1.398 56.169 54.840 -0.116 0.000 0.745 439 L CB -0.646 41.411 42.059 -0.004 0.000 0.898 439 L HN 0.291 nan 8.230 nan 0.000 0.433 440 Y N 1.322 121.575 120.300 -0.078 0.000 2.207 440 Y HA -0.309 4.239 4.550 -0.003 0.000 0.287 440 Y C 2.657 178.519 175.900 -0.063 0.000 1.156 440 Y CA 1.421 59.492 58.100 -0.049 0.000 1.182 440 Y CB -0.543 37.914 38.460 -0.006 0.000 0.979 440 Y HN 0.218 nan 8.280 nan 0.000 0.521 441 Q N -0.387 119.315 119.800 -0.164 0.000 2.268 441 Q HA -0.235 4.103 4.340 -0.003 0.000 0.210 441 Q C 2.073 177.935 176.000 -0.231 0.000 0.988 441 Q CA 1.877 57.542 55.803 -0.229 0.000 0.883 441 Q CB -0.309 28.354 28.738 -0.125 0.000 0.911 441 Q HN 0.531 nan 8.270 nan 0.000 0.430 442 L N -0.456 120.629 121.223 -0.230 0.000 2.446 442 L HA -0.083 4.255 4.340 -0.003 0.000 0.219 442 L C 2.093 178.897 176.870 -0.110 0.000 1.116 442 L CA -0.137 54.581 54.840 -0.203 0.000 0.844 442 L CB -0.186 41.645 42.059 -0.380 0.000 0.970 442 L HN 0.217 nan 8.230 nan 0.000 0.457 443 L N -0.215 120.941 121.223 -0.112 0.000 2.017 443 L HA -0.153 4.185 4.340 -0.003 0.000 0.208 443 L C 2.324 179.224 176.870 0.049 0.000 1.073 443 L CA 1.764 56.619 54.840 0.026 0.000 0.745 443 L CB -0.387 41.741 42.059 0.116 0.000 0.894 443 L HN 0.048 nan 8.230 nan 0.000 0.432 444 S N -1.185 114.497 115.700 -0.029 0.000 2.607 444 S HA -0.024 4.445 4.470 -0.003 0.000 0.224 444 S C 1.273 175.901 174.600 0.047 0.000 0.969 444 S CA 0.387 58.596 58.200 0.015 0.000 0.927 444 S CB -0.079 63.100 63.200 -0.036 0.000 0.772 444 S HN 0.517 nan 8.310 nan 0.000 0.533 445 Q N 0.481 120.311 119.800 0.051 0.000 2.189 445 Q HA 0.146 4.484 4.340 -0.003 0.000 0.223 445 Q C 0.515 176.590 176.000 0.126 0.000 0.828 445 Q CA -0.021 55.821 55.803 0.065 0.000 0.967 445 Q CB 0.407 29.154 28.738 0.015 0.000 1.139 445 Q HN 0.481 nan 8.270 nan 0.000 0.497 446 T N -0.482 114.195 114.554 0.205 0.000 2.940 446 T HA 0.419 4.767 4.350 -0.003 0.000 0.309 446 T C 0.379 175.310 174.700 0.385 0.000 1.056 446 T CA -0.058 62.239 62.100 0.327 0.000 1.137 446 T CB 0.970 70.112 68.868 0.458 0.000 0.976 446 T HN 0.180 nan 8.240 nan 0.000 0.547 447 S N 1.249 117.060 115.700 0.184 0.000 2.579 447 S HA 0.558 5.027 4.470 -0.003 0.000 0.272 447 S C -2.693 171.722 174.600 -0.307 0.000 1.141 447 S CA -1.546 56.522 58.200 -0.220 0.000 0.843 447 S CB 1.734 64.851 63.200 -0.138 0.000 1.122 447 S HN 0.364 nan 8.310 nan 0.000 0.468 448 P HA -0.022 nan 4.420 nan 0.000 0.219 448 P C 0.788 178.033 177.300 -0.092 0.000 1.146 448 P CA 1.200 64.154 63.100 -0.243 0.000 0.808 448 P CB 0.049 31.556 31.700 -0.322 0.000 0.779 449 E N -0.294 119.833 120.200 -0.122 0.000 2.152 449 E HA -0.135 4.214 4.350 -0.003 0.000 0.192 449 E C 1.360 177.946 176.600 -0.022 0.000 0.983 449 E CA 1.178 57.543 56.400 -0.058 0.000 0.818 449 E CB -0.785 28.878 29.700 -0.062 0.000 0.758 449 E HN 0.423 nan 8.360 nan 0.000 0.467 450 N N -0.519 118.174 118.700 -0.012 0.000 2.230 450 N HA 0.047 4.785 4.740 -0.003 0.000 0.202 450 N C 0.143 175.661 175.510 0.013 0.000 1.119 450 N CA 0.128 53.180 53.050 0.004 0.000 0.851 450 N CB 0.132 38.626 38.487 0.013 0.000 0.990 450 N HN 0.055 nan 8.380 nan 0.000 0.497 451 M N -0.248 119.377 119.600 0.042 0.000 2.649 451 M HA 0.247 4.725 4.480 -0.003 0.000 0.294 451 M C -0.012 176.316 176.300 0.047 0.000 1.206 451 M CA -0.859 54.465 55.300 0.040 0.000 0.928 451 M CB 0.801 33.482 32.600 0.135 0.000 1.571 451 M HN -0.019 nan 8.290 nan 0.000 0.501 452 H N 2.390 121.509 119.070 0.082 0.000 3.001 452 H HA -0.005 4.549 4.556 -0.003 0.000 0.334 452 H C 0.878 176.326 175.328 0.201 0.000 1.034 452 H CA 0.694 56.816 56.048 0.123 0.000 1.420 452 H CB 0.603 30.418 29.762 0.089 0.000 1.405 452 H HN 0.506 nan 8.280 nan 0.000 0.593 453 R N 2.733 123.383 120.500 0.250 0.000 2.193 453 R HA -0.079 4.259 4.340 -0.003 0.000 0.213 453 R C 0.187 176.518 176.300 0.051 0.000 1.055 453 R CA 0.358 56.530 56.100 0.120 0.000 0.995 453 R CB -0.219 30.123 30.300 0.070 0.000 0.893 453 R HN 0.275 nan 8.270 nan 0.000 0.459 454 N N 2.845 121.587 118.700 0.070 0.000 2.739 454 N HA -0.009 4.729 4.740 -0.003 0.000 0.266 454 N C 1.148 176.586 175.510 -0.120 0.000 1.168 454 N CA 0.030 53.064 53.050 -0.026 0.000 1.055 454 N CB 1.094 39.565 38.487 -0.025 0.000 1.393 454 N HN 0.179 nan 8.380 nan 0.000 0.514 455 V N 1.456 121.159 119.914 -0.353 0.000 2.809 455 V HA 0.016 4.134 4.120 -0.003 0.000 0.256 455 V C 1.984 177.711 176.094 -0.612 0.000 1.080 455 V CA 1.497 63.293 62.300 -0.840 0.000 1.102 455 V CB -0.949 30.488 31.823 -0.643 0.000 0.705 455 V HN 0.426 nan 8.190 nan 0.000 0.475 456 A N 0.005 122.496 122.820 -0.549 0.000 2.019 456 A HA -0.102 4.217 4.320 -0.003 0.000 0.219 456 A C 2.081 179.503 177.584 -0.270 0.000 1.164 456 A CA 1.528 53.124 52.037 -0.736 0.000 0.644 456 A CB -0.364 18.383 19.000 -0.423 0.000 0.805 456 A HN 0.618 nan 8.150 nan 0.000 0.449 457 Q N -0.933 118.797 119.800 -0.116 0.000 2.246 457 Q HA 0.121 4.459 4.340 -0.003 0.000 0.202 457 Q C -0.835 175.225 176.000 0.100 0.000 0.883 457 Q CA -0.234 55.566 55.803 -0.006 0.000 0.952 457 Q CB -0.059 28.662 28.738 -0.029 0.000 1.078 457 Q HN 0.644 nan 8.270 nan 0.000 0.493 458 Y N 0.923 121.156 120.300 -0.112 0.000 2.610 458 Y HA 0.326 4.875 4.550 -0.003 0.000 0.332 458 Y C 1.273 177.081 175.900 -0.153 0.000 1.201 458 Y CA 0.056 58.080 58.100 -0.127 0.000 1.465 458 Y CB 0.354 38.778 38.460 -0.060 0.000 1.283 458 Y HN 0.018 nan 8.280 nan 0.000 0.563 459 G N 1.825 110.547 108.800 -0.130 0.000 2.788 459 G HA2 0.352 4.310 3.960 -0.003 0.000 0.293 459 G HA3 0.352 4.310 3.960 -0.003 0.000 0.293 459 G C 0.260 174.946 174.900 -0.357 0.000 1.392 459 G CA -0.866 44.096 45.100 -0.229 0.000 0.810 459 G HN 0.618 nan 8.290 nan 0.000 0.508 460 L N -0.280 120.747 121.223 -0.326 0.000 2.051 460 L HA -0.083 4.255 4.340 -0.003 0.000 0.214 460 L C 1.203 177.921 176.870 -0.254 0.000 1.076 460 L CA 1.257 55.978 54.840 -0.198 0.000 0.758 460 L CB -0.134 41.909 42.059 -0.026 0.000 0.890 460 L HN 0.460 nan 8.230 nan 0.000 0.433 461 D N 0.548 120.739 120.400 -0.348 0.000 2.451 461 D HA -0.046 4.593 4.640 -0.003 0.000 0.254 461 D C -1.470 174.409 176.300 -0.701 0.000 1.204 461 D CA -1.460 52.078 54.000 -0.771 0.000 0.896 461 D CB 1.131 41.673 40.800 -0.429 0.000 1.136 461 D HN 0.077 nan 8.370 nan 0.000 0.499 462 P HA -0.105 nan 4.420 nan 0.000 0.225 462 P C 0.924 178.061 177.300 -0.271 0.000 1.148 462 P CA 0.640 63.478 63.100 -0.436 0.000 0.779 462 P CB 0.115 31.645 31.700 -0.283 0.000 0.780 463 A N 0.569 123.212 122.820 -0.296 0.000 2.125 463 A HA -0.116 4.202 4.320 -0.003 0.000 0.219 463 A C 2.116 179.631 177.584 -0.114 0.000 1.156 463 A CA 2.037 53.997 52.037 -0.129 0.000 0.671 463 A CB -1.692 17.237 19.000 -0.117 0.000 0.794 463 A HN 0.387 nan 8.150 nan 0.000 0.459 464 T N -3.931 110.473 114.554 -0.250 0.000 3.113 464 T HA 0.127 4.475 4.350 -0.003 0.000 0.256 464 T C 1.629 176.104 174.700 -0.375 0.000 1.131 464 T CA 0.841 62.770 62.100 -0.285 0.000 1.074 464 T CB -0.014 68.694 68.868 -0.266 0.000 0.944 464 T HN 0.557 nan 8.240 nan 0.000 0.516 465 R N -1.059 119.158 120.500 -0.472 0.000 2.320 465 R HA 0.281 4.620 4.340 -0.003 0.000 0.193 465 R C -0.549 175.362 176.300 -0.648 0.000 0.885 465 R CA 0.020 55.519 56.100 -1.002 0.000 1.085 465 R CB 0.519 30.012 30.300 -1.344 0.000 1.253 465 R HN 0.345 nan 8.270 nan 0.000 0.636 466 Y N 2.073 122.252 120.300 -0.201 0.000 2.331 466 Y HA 0.382 4.930 4.550 -0.003 0.000 0.338 466 Y C -2.279 173.434 175.900 -0.311 0.000 0.976 466 Y CA -3.521 54.448 58.100 -0.218 0.000 1.137 466 Y CB 0.769 39.137 38.460 -0.153 0.000 1.172 466 Y HN -0.060 nan 8.280 nan 0.000 0.478 467 P HA 0.099 nan 4.420 nan 0.000 0.274 467 P C -0.375 176.845 177.300 -0.134 0.000 1.231 467 P CA -0.259 62.553 63.100 -0.480 0.000 0.790 467 P CB 0.552 31.973 31.700 -0.465 0.000 0.951 468 N N -0.518 118.150 118.700 -0.054 0.000 2.727 468 N HA -0.180 4.559 4.740 -0.003 0.000 0.249 468 N C -0.410 175.092 175.510 -0.013 0.000 1.048 468 N CA 0.535 53.575 53.050 -0.017 0.000 0.714 468 N CB -1.240 37.231 38.487 -0.026 0.000 0.959 468 N HN 0.512 nan 8.380 nan 0.000 0.544 469 L N 0.780 122.005 121.223 0.004 0.000 2.499 469 L HA 0.039 4.377 4.340 -0.003 0.000 0.273 469 L C 0.759 177.625 176.870 -0.008 0.000 1.195 469 L CA 0.480 55.319 54.840 -0.001 0.000 0.882 469 L CB 0.409 42.482 42.059 0.024 0.000 1.133 469 L HN 0.125 nan 8.230 nan 0.000 0.483 470 N N 4.987 123.672 118.700 -0.025 0.000 2.626 470 N HA 0.197 4.935 4.740 -0.003 0.000 0.242 470 N C 0.405 175.911 175.510 -0.008 0.000 1.005 470 N CA -0.332 52.711 53.050 -0.013 0.000 0.905 470 N CB 0.871 39.348 38.487 -0.017 0.000 1.128 470 N HN 0.615 nan 8.380 nan 0.000 0.512 471 L N 2.007 123.241 121.223 0.018 0.000 2.610 471 L HA 0.136 4.475 4.340 -0.003 0.000 0.232 471 L C 1.143 178.041 176.870 0.047 0.000 1.149 471 L CA 0.534 55.401 54.840 0.045 0.000 0.872 471 L CB 0.063 42.175 42.059 0.089 0.000 0.992 471 L HN 0.336 nan 8.230 nan 0.000 0.447 472 R N -0.992 119.525 120.500 0.030 0.000 2.662 472 R HA 0.264 4.602 4.340 -0.003 0.000 0.396 472 R C 1.681 177.991 176.300 0.017 0.000 1.096 472 R CA 0.206 56.323 56.100 0.028 0.000 1.081 472 R CB 0.562 30.879 30.300 0.028 0.000 1.382 472 R HN 0.126 nan 8.270 nan 0.000 0.580 473 A N 0.625 123.449 122.820 0.008 0.000 1.933 473 A HA -0.016 4.302 4.320 -0.003 0.000 0.218 473 A C 1.007 178.594 177.584 0.006 0.000 1.175 473 A CA 1.042 53.078 52.037 -0.002 0.000 0.628 473 A CB 0.307 19.295 19.000 -0.019 0.000 0.814 473 A HN 0.064 nan 8.150 nan 0.000 0.444 474 V N 0.705 120.629 119.914 0.017 0.000 2.555 474 V HA 0.482 4.600 4.120 -0.003 0.000 0.302 474 V C 0.100 176.213 176.094 0.031 0.000 1.038 474 V CA -0.214 62.101 62.300 0.026 0.000 0.887 474 V CB 1.618 33.463 31.823 0.036 0.000 0.991 474 V HN 0.485 nan 8.190 nan 0.000 0.434 475 T N 2.272 116.844 114.554 0.030 0.000 2.950 475 T HA 0.458 4.806 4.350 -0.003 0.000 0.288 475 T C -2.145 172.576 174.700 0.036 0.000 1.035 475 T CA -2.133 59.986 62.100 0.032 0.000 1.028 475 T CB 1.909 70.792 68.868 0.026 0.000 1.109 475 T HN 0.344 nan 8.240 nan 0.000 0.514 476 P HA -0.140 nan 4.420 nan 0.000 0.217 476 P C 1.293 178.621 177.300 0.047 0.000 1.151 476 P CA 0.993 64.118 63.100 0.042 0.000 0.849 476 P CB -0.072 31.652 31.700 0.040 0.000 0.787 477 N N -0.394 118.329 118.700 0.039 0.000 2.149 477 N HA -0.179 4.559 4.740 -0.003 0.000 0.188 477 N C 1.663 177.195 175.510 0.036 0.000 1.019 477 N CA 1.219 54.290 53.050 0.036 0.000 0.857 477 N CB -0.756 37.748 38.487 0.028 0.000 0.997 477 N HN 0.398 nan 8.380 nan 0.000 0.426 478 Q N 0.134 119.954 119.800 0.034 0.000 2.369 478 Q HA 0.000 4.338 4.340 -0.003 0.000 0.206 478 Q C 1.199 177.222 176.000 0.037 0.000 0.963 478 Q CA 0.725 56.547 55.803 0.032 0.000 0.894 478 Q CB 0.306 29.062 28.738 0.030 0.000 0.965 478 Q HN 0.377 nan 8.270 nan 0.000 0.475 479 V N -3.388 116.553 119.914 0.045 0.000 3.214 479 V HA 0.134 4.253 4.120 -0.003 0.000 0.330 479 V C 1.257 177.391 176.094 0.067 0.000 1.403 479 V CA -0.151 62.179 62.300 0.049 0.000 1.143 479 V CB 0.166 32.017 31.823 0.048 0.000 1.098 479 V HN 0.118 nan 8.190 nan 0.000 0.463 480 Q N 2.082 121.923 119.800 0.068 0.000 2.181 480 Q HA -0.195 4.143 4.340 -0.003 0.000 0.205 480 Q C 1.776 177.813 176.000 0.061 0.000 0.980 480 Q CA 1.984 57.838 55.803 0.085 0.000 0.862 480 Q CB -0.134 28.637 28.738 0.055 0.000 0.905 480 Q HN 0.948 nan 8.270 nan 0.000 0.429 481 D N 0.220 120.639 120.400 0.032 0.000 2.378 481 D HA -0.137 4.502 4.640 -0.003 0.000 0.222 481 D C 1.366 177.664 176.300 -0.004 0.000 0.980 481 D CA 0.676 54.679 54.000 0.007 0.000 0.907 481 D CB -0.220 40.579 40.800 -0.001 0.000 0.899 481 D HN 0.299 nan 8.370 nan 0.000 0.527 482 L N -1.192 120.043 121.223 0.020 0.000 2.592 482 L HA 0.114 4.452 4.340 -0.003 0.000 0.227 482 L C 0.027 176.929 176.870 0.053 0.000 1.127 482 L CA -0.173 54.656 54.840 -0.018 0.000 0.884 482 L CB -0.065 41.979 42.059 -0.025 0.000 1.065 482 L HN -0.021 nan 8.230 nan 0.000 0.457 483 Y N 1.368 121.635 120.300 -0.054 0.000 2.464 483 Y HA 0.314 4.862 4.550 -0.004 0.000 0.326 483 Y C -0.659 175.228 175.900 -0.022 0.000 0.969 483 Y CA -2.288 55.795 58.100 -0.029 0.000 1.270 483 Y CB 0.609 39.073 38.460 0.007 0.000 1.103 483 Y HN -0.091 nan 8.280 nan 0.000 0.491 484 D N 6.804 127.255 120.400 0.084 0.000 2.494 484 D HA 0.121 4.759 4.640 -0.003 0.000 0.217 484 D C -0.533 175.702 176.300 -0.108 0.000 1.153 484 D CA 0.033 54.003 54.000 -0.049 0.000 0.954 484 D CB 0.051 40.849 40.800 -0.003 0.000 1.034 484 D HN 0.621 nan 8.370 nan 0.000 0.518 485 M N 4.465 123.845 119.600 -0.368 0.000 2.094 485 M HA 0.164 4.643 4.480 -0.003 0.000 0.348 485 M C 0.826 177.028 176.300 -0.164 0.000 1.267 485 M CA -0.285 54.805 55.300 -0.350 0.000 1.125 485 M CB 0.830 33.045 32.600 -0.642 0.000 1.527 485 M HN 0.325 nan 8.290 nan 0.000 0.447 486 M N 1.300 120.857 119.600 -0.070 0.000 2.506 486 M HA 0.051 4.530 4.480 -0.003 0.000 0.260 486 M C -0.263 175.979 176.300 -0.095 0.000 1.104 486 M CA 0.819 56.075 55.300 -0.072 0.000 1.112 486 M CB 0.113 32.680 32.600 -0.055 0.000 1.401 486 M HN 0.460 nan 8.290 nan 0.000 0.473 487 D N -1.050 119.297 120.400 -0.087 0.000 2.552 487 D HA 0.230 4.868 4.640 -0.003 0.000 0.239 487 D C -0.280 175.993 176.300 -0.045 0.000 1.139 487 D CA -0.355 53.598 54.000 -0.078 0.000 0.914 487 D CB 1.850 42.588 40.800 -0.104 0.000 1.461 487 D HN -0.266 nan 8.370 nan 0.000 0.462 488 K N 0.007 120.391 120.400 -0.027 0.000 2.374 488 K HA 0.134 4.452 4.320 -0.003 0.000 0.196 488 K C 0.223 176.828 176.600 0.009 0.000 1.023 488 K CA 0.218 56.499 56.287 -0.010 0.000 1.103 488 K CB 0.365 32.859 32.500 -0.010 0.000 0.848 488 K HN 0.312 nan 8.250 nan 0.000 0.528 489 E N 0.000 120.209 120.200 0.016 0.000 2.725 489 E HA 0.000 4.348 4.350 -0.003 0.000 0.291 489 E CA 0.000 56.421 56.400 0.035 0.000 0.976 489 E CB 0.000 29.738 29.700 0.063 0.000 0.812 489 E HN 0.000 nan 8.360 nan 0.000 0.440