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 3ccp_1_A DATA FIRST_RESID 2 DATA SEQUENCE TPLVHVASVE KGRSYEDFQK VYNAIALKLR EDDEYDNYIG YGPVLVRLAW DATA SEQUENCE HISGTWDKHD NTGGSYGGTY RFKKEFNDPS NAGLQNGFKF LEPIHKEFPW DATA SEQUENCE ISSGDLFSLG GVTAVQEMQG PKIPWRCGRV DTPEDTTPDN GRLPDADKDA DATA SEQUENCE GYVRTFFQRL NMNDREVVAL MGAHALGKTH LKNSGYEGPF GAANNVFTNE DATA SEQUENCE FYLNLLNEDW KLEKNDANNE QWDSKSGYMM LPTDYSLIQD PKYLSIVKEY DATA SEQUENCE ANDQDKFFKD FSKAFEKLLE NGITFPKDAP SPFIFKTLEE QGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.675 174.700 -0.042 0.000 1.109 2 T CA 0.000 62.080 62.100 -0.033 0.000 1.349 2 T CB 0.000 nan 68.868 nan 0.000 0.612 3 P HA 0.576 nan 4.420 nan 0.000 0.276 3 P C -0.072 177.167 177.300 -0.102 0.000 1.235 3 P CA -0.611 62.453 63.100 -0.059 0.000 0.772 3 P CB 0.246 31.920 31.700 -0.044 0.000 0.871 4 L N 2.224 123.366 121.223 -0.135 0.000 2.498 4 L HA 0.051 4.392 4.340 0.001 0.000 0.293 4 L C 0.393 177.044 176.870 -0.365 0.000 1.271 4 L CA 0.381 55.065 54.840 -0.260 0.000 0.831 4 L CB -0.345 41.488 42.059 -0.376 0.000 1.091 4 L HN 0.190 nan 8.230 nan 0.000 0.535 5 V N 0.714 120.372 119.914 -0.427 0.000 2.487 5 V HA 0.364 4.485 4.120 0.001 0.000 0.298 5 V C -0.363 175.395 176.094 -0.560 0.000 1.028 5 V CA -0.746 61.323 62.300 -0.386 0.000 0.860 5 V CB 1.728 33.429 31.823 -0.205 0.000 0.991 5 V HN 0.604 nan 8.190 nan 0.000 0.427 6 H N 3.312 122.157 119.070 -0.375 0.000 2.685 6 H HA 0.511 5.068 4.556 0.001 0.000 0.307 6 H C -0.773 174.148 175.328 -0.679 0.000 1.017 6 H CA -0.396 55.167 56.048 -0.808 0.000 1.237 6 H CB 1.988 30.882 29.762 -1.446 0.000 1.409 6 H HN 0.412 nan 8.280 nan 0.000 0.488 7 V N 2.216 121.969 119.914 -0.268 0.000 2.472 7 V HA 0.383 4.504 4.120 0.001 0.000 0.290 7 V C 0.763 176.876 176.094 0.031 0.000 1.037 7 V CA -0.951 61.261 62.300 -0.145 0.000 0.908 7 V CB 1.441 33.225 31.823 -0.065 0.000 0.985 7 V HN 0.870 nan 8.190 nan 0.000 0.454 8 A N 3.584 126.350 122.820 -0.091 0.000 2.454 8 A HA 0.511 4.832 4.320 0.001 0.000 0.260 8 A C 0.395 178.044 177.584 0.109 0.000 1.106 8 A CA 0.150 52.211 52.037 0.039 0.000 0.780 8 A CB 0.341 19.265 19.000 -0.128 0.000 1.044 8 A HN 0.793 nan 8.150 nan 0.000 0.498 9 S N 2.708 118.490 115.700 0.138 0.000 2.640 9 S HA 0.443 4.914 4.470 0.001 0.000 0.320 9 S C -0.287 174.394 174.600 0.134 0.000 1.097 9 S CA -0.584 57.688 58.200 0.120 0.000 1.092 9 S CB 0.419 63.689 63.200 0.116 0.000 0.988 9 S HN 0.698 nan 8.310 nan 0.000 0.470 10 V N 4.884 124.883 119.914 0.142 0.000 2.694 10 V HA 0.021 4.142 4.120 0.001 0.000 0.306 10 V C 0.531 176.756 176.094 0.218 0.000 1.054 10 V CA 0.103 62.522 62.300 0.198 0.000 1.161 10 V CB -0.056 31.881 31.823 0.190 0.000 0.916 10 V HN 0.809 nan 8.190 nan 0.000 0.490 11 E N 3.409 123.803 120.200 0.322 0.000 2.480 11 E HA 0.046 4.397 4.350 0.001 0.000 0.258 11 E C 0.231 176.930 176.600 0.165 0.000 0.984 11 E CA 0.147 56.721 56.400 0.290 0.000 0.930 11 E CB 0.151 30.129 29.700 0.464 0.000 0.936 11 E HN 0.466 nan 8.360 nan 0.000 0.466 12 K N 2.017 122.482 120.400 0.108 0.000 2.437 12 K HA 0.005 4.325 4.320 0.001 0.000 0.277 12 K C 0.827 177.416 176.600 -0.017 0.000 1.073 12 K CA 1.015 57.333 56.287 0.051 0.000 1.105 12 K CB -0.159 32.369 32.500 0.046 0.000 0.881 12 K HN 0.781 nan 8.250 nan 0.000 0.475 13 G N 3.456 112.249 108.800 -0.011 0.000 2.153 13 G HA2 -0.254 3.707 3.960 0.001 0.000 0.252 13 G HA3 -0.254 3.707 3.960 0.001 0.000 0.252 13 G C -0.235 174.593 174.900 -0.120 0.000 0.994 13 G CA -0.041 45.028 45.100 -0.053 0.000 0.698 13 G HN 0.532 nan 8.290 nan 0.000 0.521 14 R N 0.415 120.850 120.500 -0.110 0.000 2.428 14 R HA 0.716 5.057 4.340 0.001 0.000 0.294 14 R C 0.639 176.970 176.300 0.051 0.000 1.000 14 R CA 0.305 56.257 56.100 -0.245 0.000 0.960 14 R CB 1.564 31.568 30.300 -0.493 0.000 1.076 14 R HN 0.597 nan 8.270 nan 0.000 0.475 15 S N 0.719 116.433 115.700 0.023 0.000 2.795 15 S HA 0.193 4.664 4.470 0.001 0.000 0.308 15 S C 1.074 175.804 174.600 0.216 0.000 1.098 15 S CA -0.748 57.578 58.200 0.210 0.000 0.934 15 S CB 0.386 63.667 63.200 0.136 0.000 1.300 15 S HN 0.707 nan 8.310 nan 0.000 0.566 16 Y N 1.660 121.942 120.300 -0.030 0.000 2.128 16 Y HA -0.188 4.363 4.550 0.001 0.000 0.284 16 Y C 2.103 177.933 175.900 -0.117 0.000 1.154 16 Y CA 2.534 60.386 58.100 -0.414 0.000 1.149 16 Y CB -0.689 37.529 38.460 -0.402 0.000 0.976 16 Y HN 0.766 nan 8.280 nan 0.000 0.505 17 E N 0.731 120.753 120.200 -0.297 0.000 2.130 17 E HA -0.236 4.115 4.350 0.001 0.000 0.196 17 E C 1.809 178.250 176.600 -0.265 0.000 0.998 17 E CA 1.764 57.974 56.400 -0.318 0.000 0.806 17 E CB -0.374 29.259 29.700 -0.111 0.000 0.738 17 E HN 0.625 nan 8.360 nan 0.000 0.459 18 D N -0.200 120.058 120.400 -0.236 0.000 2.097 18 D HA -0.136 4.505 4.640 0.001 0.000 0.195 18 D C 1.841 177.978 176.300 -0.271 0.000 0.989 18 D CA 1.002 54.831 54.000 -0.286 0.000 0.827 18 D CB -0.279 40.163 40.800 -0.596 0.000 0.966 18 D HN 0.220 nan 8.370 nan 0.000 0.456 19 F N 1.012 120.936 119.950 -0.044 0.000 2.186 19 F HA -0.144 4.384 4.527 0.001 0.000 0.299 19 F C 2.719 178.251 175.800 -0.448 0.000 1.090 19 F CA 0.619 58.572 58.000 -0.077 0.000 1.307 19 F CB -0.280 38.859 39.000 0.231 0.000 1.019 19 F HN -0.127 nan 8.300 nan 0.000 0.489 20 Q N 1.209 120.816 119.800 -0.321 0.000 2.135 20 Q HA -0.213 4.128 4.340 0.001 0.000 0.204 20 Q C 1.808 177.617 176.000 -0.318 0.000 0.981 20 Q CA 1.843 57.384 55.803 -0.436 0.000 0.856 20 Q CB -0.198 28.228 28.738 -0.519 0.000 0.902 20 Q HN 0.298 nan 8.270 nan 0.000 0.425 21 K N -1.090 119.149 120.400 -0.267 0.000 2.103 21 K HA -0.038 4.283 4.320 0.001 0.000 0.204 21 K C 1.966 178.288 176.600 -0.464 0.000 1.052 21 K CA 1.167 57.336 56.287 -0.197 0.000 0.945 21 K CB 0.057 32.550 32.500 -0.013 0.000 0.722 21 K HN 0.050 nan 8.250 nan 0.000 0.443 22 V N 0.679 120.155 119.914 -0.730 0.000 2.358 22 V HA -0.272 3.848 4.120 0.001 0.000 0.246 22 V C 2.015 177.781 176.094 -0.546 0.000 1.047 22 V CA 1.646 63.347 62.300 -0.997 0.000 1.035 22 V CB -0.555 30.713 31.823 -0.924 0.000 0.658 22 V HN 0.297 nan 8.190 nan 0.000 0.452 23 Y N 1.567 121.486 120.300 -0.636 0.000 2.128 23 Y HA -0.293 4.258 4.550 0.001 0.000 0.284 23 Y C 2.411 178.117 175.900 -0.323 0.000 1.154 23 Y CA 2.342 60.112 58.100 -0.551 0.000 1.149 23 Y CB -0.389 37.589 38.460 -0.803 0.000 0.976 23 Y HN 0.336 nan 8.280 nan 0.000 0.505 24 N N -0.031 118.721 118.700 0.088 0.000 2.166 24 N HA -0.181 4.559 4.740 0.001 0.000 0.186 24 N C 1.941 177.436 175.510 -0.025 0.000 1.019 24 N CA 0.685 53.791 53.050 0.095 0.000 0.856 24 N CB -0.277 38.245 38.487 0.058 0.000 0.993 24 N HN 0.483 nan 8.380 nan 0.000 0.426 25 A N 1.245 124.021 122.820 -0.073 0.000 1.898 25 A HA -0.077 4.243 4.320 0.001 0.000 0.216 25 A C 2.100 179.624 177.584 -0.099 0.000 1.181 25 A CA 0.936 52.953 52.037 -0.034 0.000 0.620 25 A CB -0.500 18.559 19.000 0.100 0.000 0.819 25 A HN 0.166 nan 8.150 nan 0.000 0.442 26 I N -0.231 120.237 120.570 -0.169 0.000 2.202 26 I HA -0.249 3.922 4.170 0.001 0.000 0.242 26 I C 2.978 179.050 176.117 -0.074 0.000 1.091 26 I CA 1.020 62.251 61.300 -0.115 0.000 1.368 26 I CB -0.376 37.508 38.000 -0.193 0.000 1.058 26 I HN 0.336 nan 8.210 nan 0.000 0.410 27 A N 0.940 123.637 122.820 -0.205 0.000 1.908 27 A HA -0.175 4.146 4.320 0.001 0.000 0.218 27 A C 2.316 179.886 177.584 -0.022 0.000 1.181 27 A CA 1.553 53.500 52.037 -0.150 0.000 0.627 27 A CB -0.884 18.009 19.000 -0.177 0.000 0.818 27 A HN 0.392 nan 8.150 nan 0.000 0.445 28 L N -1.039 120.173 121.223 -0.018 0.000 2.093 28 L HA -0.133 4.208 4.340 0.001 0.000 0.208 28 L C 2.604 179.478 176.870 0.007 0.000 1.085 28 L CA 1.735 56.578 54.840 0.005 0.000 0.755 28 L CB -0.298 41.761 42.059 -0.001 0.000 0.904 28 L HN 0.450 nan 8.230 nan 0.000 0.435 29 K N 0.432 120.819 120.400 -0.022 0.000 2.217 29 K HA -0.121 4.200 4.320 0.001 0.000 0.202 29 K C 2.107 178.811 176.600 0.174 0.000 1.051 29 K CA 0.776 57.026 56.287 -0.062 0.000 0.952 29 K CB 0.089 32.362 32.500 -0.378 0.000 0.736 29 K HN 0.218 nan 8.250 nan 0.000 0.453 30 L N 0.521 121.897 121.223 0.255 0.000 2.046 30 L HA -0.157 4.184 4.340 0.001 0.000 0.208 30 L C 2.771 179.748 176.870 0.179 0.000 1.077 30 L CA 1.290 56.281 54.840 0.252 0.000 0.747 30 L CB -0.379 41.742 42.059 0.102 0.000 0.896 30 L HN 0.226 nan 8.230 nan 0.000 0.432 31 R N 0.283 120.854 120.500 0.117 0.000 2.091 31 R HA -0.251 4.090 4.340 0.001 0.000 0.238 31 R C 2.244 178.609 176.300 0.107 0.000 1.136 31 R CA 2.153 58.311 56.100 0.097 0.000 0.959 31 R CB -0.153 30.188 30.300 0.068 0.000 0.856 31 R HN 0.469 nan 8.270 nan 0.000 0.437 32 E N -0.091 120.167 120.200 0.097 0.000 2.076 32 E HA -0.123 4.228 4.350 0.001 0.000 0.190 32 E C -0.141 176.531 176.600 0.121 0.000 0.979 32 E CA 1.039 57.491 56.400 0.087 0.000 0.807 32 E CB 0.129 29.852 29.700 0.039 0.000 0.761 32 E HN 0.208 nan 8.360 nan 0.000 0.454 33 D N 1.972 122.477 120.400 0.175 0.000 3.057 33 D HA -0.010 4.631 4.640 0.001 0.000 0.246 33 D C -0.175 176.304 176.300 0.298 0.000 1.238 33 D CA 0.106 54.255 54.000 0.248 0.000 0.949 33 D CB 0.502 41.511 40.800 0.348 0.000 1.086 33 D HN 0.313 nan 8.370 nan 0.000 0.487 34 D N -1.233 119.289 120.400 0.204 0.000 2.349 34 D HA -0.103 4.538 4.640 0.001 0.000 0.224 34 D C 1.002 177.329 176.300 0.044 0.000 1.029 34 D CA 0.312 54.420 54.000 0.180 0.000 0.879 34 D CB 0.147 41.070 40.800 0.204 0.000 0.906 34 D HN 0.015 nan 8.370 nan 0.000 0.528 35 E N -0.862 119.285 120.200 -0.087 0.000 2.447 35 E HA 0.023 4.374 4.350 0.001 0.000 0.195 35 E C 0.084 176.386 176.600 -0.497 0.000 1.028 35 E CA -0.425 55.591 56.400 -0.639 0.000 0.876 35 E CB -0.783 28.654 29.700 -0.438 0.000 0.885 35 E HN 0.636 nan 8.360 nan 0.000 0.500 36 Y N 2.101 122.221 120.300 -0.300 0.000 2.811 36 Y HA 0.034 4.585 4.550 0.001 0.000 0.334 36 Y C 0.438 176.145 175.900 -0.320 0.000 1.247 36 Y CA 0.460 58.350 58.100 -0.350 0.000 1.526 36 Y CB 0.173 38.234 38.460 -0.665 0.000 1.284 36 Y HN 0.045 nan 8.280 nan 0.000 0.586 37 D N 5.106 124.833 120.400 -1.122 0.000 2.737 37 D HA -0.301 4.340 4.640 0.001 0.000 0.238 37 D C -0.473 175.628 176.300 -0.330 0.000 1.157 37 D CA 1.451 55.016 54.000 -0.726 0.000 0.694 37 D CB -1.293 39.071 40.800 -0.727 0.000 1.021 37 D HN 0.835 nan 8.370 nan 0.000 0.420 38 N N 0.085 118.628 118.700 -0.262 0.000 2.740 38 N HA -0.296 4.445 4.740 0.001 0.000 0.248 38 N C -0.051 175.499 175.510 0.067 0.000 1.062 38 N CA 1.320 54.336 53.050 -0.057 0.000 0.704 38 N CB -1.394 37.101 38.487 0.014 0.000 0.968 38 N HN 0.665 nan 8.380 nan 0.000 0.547 39 Y N -3.480 116.799 120.300 -0.036 0.000 4.729 39 Y HA -0.295 4.256 4.550 0.002 0.000 0.239 39 Y C 1.621 177.529 175.900 0.014 0.000 1.043 39 Y CA 0.915 59.020 58.100 0.008 0.000 2.045 39 Y CB -2.055 36.413 38.460 0.014 0.000 1.599 39 Y HN 0.382 nan 8.280 nan 0.000 0.655 40 I N -0.339 120.251 120.570 0.033 0.000 2.406 40 I HA 0.104 4.275 4.170 0.001 0.000 0.249 40 I C 1.733 177.899 176.117 0.082 0.000 1.122 40 I CA 1.340 62.672 61.300 0.052 0.000 1.431 40 I CB -0.305 37.702 38.000 0.013 0.000 1.087 40 I HN 0.524 nan 8.210 nan 0.000 0.424 41 G N -0.384 108.468 108.800 0.086 0.000 2.710 41 G HA2 -0.281 3.680 3.960 0.001 0.000 0.668 41 G HA3 -0.281 3.680 3.960 0.001 0.000 0.668 41 G C -0.302 174.683 174.900 0.142 0.000 1.320 41 G CA -0.344 44.848 45.100 0.153 0.000 0.860 41 G HN 0.108 nan 8.290 nan 0.000 0.538 42 Y N 1.732 122.014 120.300 -0.029 0.000 2.490 42 Y HA 0.257 4.807 4.550 0.001 0.000 0.281 42 Y C 2.764 178.509 175.900 -0.259 0.000 1.174 42 Y CA 1.444 59.364 58.100 -0.301 0.000 1.295 42 Y CB 0.034 37.976 38.460 -0.863 0.000 1.062 42 Y HN 0.857 nan 8.280 nan 0.000 0.522 43 G N 1.947 110.737 108.800 -0.017 0.000 2.672 43 G HA2 -0.304 3.656 3.960 0.001 0.000 0.218 43 G HA3 -0.304 3.656 3.960 0.001 0.000 0.218 43 G C -0.525 174.382 174.900 0.012 0.000 1.238 43 G CA 1.273 46.361 45.100 -0.021 0.000 0.791 43 G HN 0.263 nan 8.290 nan 0.000 0.606 44 P HA -0.092 nan 4.420 nan 0.000 0.215 44 P C 2.138 179.500 177.300 0.104 0.000 1.157 44 P CA 1.169 64.328 63.100 0.099 0.000 0.874 44 P CB -0.251 31.527 31.700 0.130 0.000 0.790 45 V N -0.757 119.210 119.914 0.089 0.000 2.490 45 V HA -0.200 3.921 4.120 0.001 0.000 0.250 45 V C 2.111 178.215 176.094 0.017 0.000 1.061 45 V CA 1.590 63.928 62.300 0.064 0.000 1.064 45 V CB -1.046 30.815 31.823 0.064 0.000 0.670 45 V HN 0.007 nan 8.190 nan 0.000 0.461 46 L N -1.140 120.070 121.223 -0.022 0.000 2.109 46 L HA -0.087 4.254 4.340 0.001 0.000 0.207 46 L C 2.468 179.385 176.870 0.078 0.000 1.086 46 L CA 1.079 55.902 54.840 -0.029 0.000 0.760 46 L CB -0.649 41.340 42.059 -0.117 0.000 0.910 46 L HN 0.197 nan 8.230 nan 0.000 0.437 47 V N 0.079 120.056 119.914 0.106 0.000 2.343 47 V HA -0.284 3.837 4.120 0.001 0.000 0.247 47 V C 2.680 178.962 176.094 0.313 0.000 1.051 47 V CA 1.836 64.262 62.300 0.211 0.000 1.036 47 V CB -0.647 31.250 31.823 0.122 0.000 0.654 47 V HN 0.452 nan 8.190 nan 0.000 0.451 48 R N -0.308 120.341 120.500 0.247 0.000 2.120 48 R HA -0.160 4.181 4.340 0.001 0.000 0.234 48 R C 2.240 178.645 176.300 0.176 0.000 1.123 48 R CA 1.551 57.852 56.100 0.336 0.000 0.975 48 R CB -0.260 30.161 30.300 0.201 0.000 0.866 48 R HN 0.465 nan 8.270 nan 0.000 0.446 49 L N 0.549 121.787 121.223 0.025 0.000 2.056 49 L HA 0.010 4.351 4.340 0.001 0.000 0.207 49 L C 2.228 179.078 176.870 -0.033 0.000 1.078 49 L CA 2.104 56.854 54.840 -0.150 0.000 0.749 49 L CB -0.656 41.273 42.059 -0.216 0.000 0.901 49 L HN 0.182 nan 8.230 nan 0.000 0.433 50 A N -0.189 122.720 122.820 0.148 0.000 1.972 50 A HA -0.255 4.066 4.320 0.001 0.000 0.219 50 A C 2.232 179.981 177.584 0.276 0.000 1.169 50 A CA 1.757 53.926 52.037 0.220 0.000 0.635 50 A CB -1.330 17.863 19.000 0.322 0.000 0.810 50 A HN 0.843 nan 8.150 nan 0.000 0.446 51 W N -0.172 121.276 121.300 0.247 0.000 2.409 51 W HA -0.131 4.530 4.660 0.001 0.000 0.299 51 W C 1.768 178.438 176.519 0.253 0.000 1.203 51 W CA 1.589 59.105 57.345 0.284 0.000 1.298 51 W CB -0.813 28.868 29.460 0.368 0.000 1.127 51 W HN 0.552 nan 8.180 nan 0.000 0.528 52 H N 1.402 120.140 119.070 -0.552 0.000 2.387 52 H HA -0.171 4.386 4.556 0.002 0.000 0.299 52 H C 2.229 177.337 175.328 -0.367 0.000 1.090 52 H CA 2.221 57.874 56.048 -0.658 0.000 1.332 52 H CB 0.025 29.517 29.762 -0.450 0.000 1.386 52 H HN 0.297 nan 8.280 nan 0.000 0.516 53 I N -1.443 119.056 120.570 -0.119 0.000 2.676 53 I HA -0.049 4.121 4.170 0.001 0.000 0.259 53 I C 1.877 178.011 176.117 0.028 0.000 1.194 53 I CA 1.067 62.348 61.300 -0.032 0.000 1.473 53 I CB 0.029 38.012 38.000 -0.028 0.000 1.096 53 I HN -0.104 nan 8.210 nan 0.000 0.443 54 S N 0.913 116.620 115.700 0.012 0.000 2.483 54 S HA 0.251 4.722 4.470 0.001 0.000 0.221 54 S C 1.926 176.570 174.600 0.074 0.000 1.030 54 S CA 0.533 58.768 58.200 0.058 0.000 0.925 54 S CB -0.113 63.139 63.200 0.087 0.000 0.795 54 S HN 0.670 nan 8.310 nan 0.000 0.511 55 G N 1.887 110.637 108.800 -0.083 0.000 2.679 55 G HA2 -0.090 3.871 3.960 0.001 0.000 0.212 55 G HA3 -0.090 3.871 3.960 0.001 0.000 0.212 55 G C 1.278 176.143 174.900 -0.059 0.000 1.137 55 G CA 1.235 46.240 45.100 -0.158 0.000 0.787 55 G HN 0.594 nan 8.290 nan 0.000 0.534 56 T N -3.682 110.867 114.554 -0.008 0.000 3.129 56 T HA 0.037 4.387 4.350 0.001 0.000 0.251 56 T C 0.741 175.506 174.700 0.109 0.000 1.117 56 T CA -0.774 61.346 62.100 0.034 0.000 1.034 56 T CB -0.105 68.791 68.868 0.047 0.000 0.968 56 T HN 0.205 nan 8.240 nan 0.000 0.526 57 W N 3.051 124.327 121.300 -0.039 0.000 2.193 57 W HA 0.392 5.053 4.660 0.001 0.000 0.338 57 W C -0.541 175.940 176.519 -0.063 0.000 1.310 57 W CA -0.294 57.033 57.345 -0.029 0.000 1.243 57 W CB 0.411 29.861 29.460 -0.017 0.000 1.165 57 W HN 0.053 nan 8.180 nan 0.000 0.566 58 D N 5.018 124.943 120.400 -0.791 0.000 2.469 58 D HA 0.074 4.715 4.640 0.001 0.000 0.251 58 D C 0.848 176.346 176.300 -1.336 0.000 1.173 58 D CA -0.474 53.048 54.000 -0.796 0.000 0.882 58 D CB 1.174 41.767 40.800 -0.346 0.000 1.129 58 D HN 0.577 nan 8.370 nan 0.000 0.549 59 K N 3.055 122.493 120.400 -1.603 0.000 2.442 59 K HA -0.136 4.185 4.320 0.001 0.000 0.198 59 K C 0.691 176.843 176.600 -0.747 0.000 1.044 59 K CA 1.023 56.443 56.287 -1.445 0.000 0.948 59 K CB -0.065 31.891 32.500 -0.907 0.000 0.762 59 K HN 0.419 nan 8.250 nan 0.000 0.472 60 H N 1.615 120.425 119.070 -0.433 0.000 2.384 60 H HA -0.033 4.524 4.556 0.001 0.000 0.300 60 H C 0.690 175.902 175.328 -0.193 0.000 1.057 60 H CA 1.621 57.523 56.048 -0.243 0.000 1.370 60 H CB 0.125 29.776 29.762 -0.185 0.000 1.417 60 H HN 0.612 nan 8.280 nan 0.000 0.527 61 D N -1.421 118.919 120.400 -0.101 0.000 2.513 61 D HA 0.005 4.646 4.640 0.001 0.000 0.222 61 D C 0.387 176.643 176.300 -0.074 0.000 1.210 61 D CA -0.336 53.624 54.000 -0.067 0.000 0.825 61 D CB -0.290 40.486 40.800 -0.040 0.000 1.037 61 D HN -0.035 nan 8.370 nan 0.000 0.506 62 N N 0.302 118.914 118.700 -0.146 0.000 2.753 62 N HA -0.183 4.558 4.740 0.001 0.000 0.251 62 N C -0.537 175.083 175.510 0.182 0.000 1.097 62 N CA 1.357 54.432 53.050 0.041 0.000 0.786 62 N CB -1.671 36.870 38.487 0.090 0.000 1.137 62 N HN 0.627 nan 8.380 nan 0.000 0.566 63 T N -3.068 111.520 114.554 0.057 0.000 2.849 63 T HA 0.615 4.966 4.350 0.001 0.000 0.284 63 T C 1.241 176.059 174.700 0.196 0.000 1.004 63 T CA 0.285 62.479 62.100 0.157 0.000 1.021 63 T CB 1.444 70.350 68.868 0.063 0.000 1.013 63 T HN 1.023 nan 8.240 nan 0.000 0.527 64 G N -0.130 108.800 108.800 0.217 0.000 2.645 64 G HA2 0.343 4.304 3.960 0.001 0.000 0.246 64 G HA3 0.343 4.304 3.960 0.001 0.000 0.246 64 G C 0.368 175.465 174.900 0.329 0.000 1.322 64 G CA 0.023 45.259 45.100 0.226 0.000 0.898 64 G HN 2.761 nan 8.290 nan 0.000 0.573 65 G N -2.895 106.072 108.800 0.279 0.000 2.710 65 G HA2 0.308 4.269 3.960 0.001 0.000 0.668 65 G HA3 0.308 4.269 3.960 0.001 0.000 0.668 65 G C 1.156 176.125 174.900 0.114 0.000 1.320 65 G CA 1.131 46.340 45.100 0.182 0.000 0.860 65 G HN 2.468 nan 8.290 nan 0.000 0.538 66 S N -1.307 114.433 115.700 0.066 0.000 2.489 66 S HA -0.030 4.440 4.470 0.001 0.000 0.228 66 S C 1.843 176.517 174.600 0.123 0.000 0.995 66 S CA 1.611 59.878 58.200 0.112 0.000 0.934 66 S CB -0.257 63.001 63.200 0.096 0.000 0.771 66 S HN 1.261 nan 8.310 nan 0.000 0.522 67 Y N 3.094 123.340 120.300 -0.090 0.000 2.040 67 Y HA -0.153 4.398 4.550 0.001 0.000 0.275 67 Y C 2.417 178.289 175.900 -0.046 0.000 1.171 67 Y CA 1.806 59.828 58.100 -0.131 0.000 1.123 67 Y CB -1.009 37.247 38.460 -0.340 0.000 0.963 67 Y HN 0.356 nan 8.280 nan 0.000 0.493 68 G N -1.663 107.168 108.800 0.052 0.000 2.813 68 G HA2 0.179 4.140 3.960 0.001 0.000 0.209 68 G HA3 0.179 4.140 3.960 0.001 0.000 0.209 68 G C 1.267 176.228 174.900 0.101 0.000 1.150 68 G CA 0.369 45.501 45.100 0.053 0.000 0.785 68 G HN 0.982 nan 8.290 nan 0.000 0.535 69 G N 0.449 109.337 108.800 0.146 0.000 2.283 69 G HA2 -0.336 3.625 3.960 0.001 0.000 0.280 69 G HA3 -0.336 3.625 3.960 0.001 0.000 0.280 69 G C 1.296 176.348 174.900 0.252 0.000 1.029 69 G CA 1.541 46.785 45.100 0.240 0.000 0.840 69 G HN 1.114 nan 8.290 nan 0.000 0.505 70 T N -3.250 111.479 114.554 0.291 0.000 2.929 70 T HA -0.219 4.132 4.350 0.001 0.000 0.271 70 T C 1.856 176.727 174.700 0.285 0.000 1.085 70 T CA 1.657 63.977 62.100 0.366 0.000 1.125 70 T CB -0.270 68.849 68.868 0.419 0.000 0.874 70 T HN 0.846 nan 8.240 nan 0.000 0.494 71 Y N 3.433 123.837 120.300 0.174 0.000 2.365 71 Y HA -0.231 4.319 4.550 0.001 0.000 0.287 71 Y C 2.553 178.483 175.900 0.051 0.000 1.162 71 Y CA 1.596 59.748 58.100 0.087 0.000 1.260 71 Y CB -0.313 38.094 38.460 -0.088 0.000 0.976 71 Y HN 0.314 nan 8.280 nan 0.000 0.548 72 R N -0.444 120.010 120.500 -0.076 0.000 2.193 72 R HA -0.097 4.244 4.340 0.001 0.000 0.229 72 R C -0.220 175.755 176.300 -0.542 0.000 1.110 72 R CA 0.643 56.535 56.100 -0.347 0.000 0.988 72 R CB -0.943 29.200 30.300 -0.261 0.000 0.871 72 R HN 0.269 nan 8.270 nan 0.000 0.458 73 F N 1.642 121.535 119.950 -0.095 0.000 2.384 73 F HA 0.283 4.811 4.527 0.002 0.000 0.338 73 F C 1.567 177.306 175.800 -0.101 0.000 1.103 73 F CA -0.917 57.029 58.000 -0.090 0.000 1.157 73 F CB 1.326 40.320 39.000 -0.010 0.000 1.167 73 F HN -0.252 nan 8.300 nan 0.000 0.529 74 K N 1.626 122.087 120.400 0.101 0.000 2.059 74 K HA -0.286 4.035 4.320 0.001 0.000 0.212 74 K C 2.088 178.760 176.600 0.121 0.000 1.050 74 K CA 2.038 58.369 56.287 0.073 0.000 0.927 74 K CB -0.124 32.402 32.500 0.044 0.000 0.714 74 K HN 0.577 nan 8.250 nan 0.000 0.447 75 K N 1.203 121.671 120.400 0.113 0.000 2.044 75 K HA -0.265 4.055 4.320 0.001 0.000 0.210 75 K C 2.065 178.727 176.600 0.104 0.000 1.049 75 K CA 2.154 58.496 56.287 0.092 0.000 0.927 75 K CB -0.064 32.478 32.500 0.071 0.000 0.713 75 K HN 0.187 nan 8.250 nan 0.000 0.443 76 E N -0.680 119.602 120.200 0.137 0.000 2.112 76 E HA -0.159 4.192 4.350 0.001 0.000 0.190 76 E C 1.865 178.531 176.600 0.110 0.000 0.979 76 E CA 0.633 57.119 56.400 0.145 0.000 0.814 76 E CB -0.184 29.639 29.700 0.205 0.000 0.762 76 E HN 0.406 nan 8.360 nan 0.000 0.460 77 F N 1.651 121.491 119.950 -0.184 0.000 2.171 77 F HA -0.132 4.396 4.527 0.001 0.000 0.300 77 F C 1.503 177.222 175.800 -0.134 0.000 1.090 77 F CA 1.293 59.051 58.000 -0.402 0.000 1.293 77 F CB 0.159 38.806 39.000 -0.588 0.000 1.013 77 F HN 0.030 nan 8.300 nan 0.000 0.486 78 N N 0.597 119.302 118.700 0.008 0.000 2.276 78 N HA -0.038 4.703 4.740 0.001 0.000 0.212 78 N C -0.559 174.948 175.510 -0.004 0.000 1.127 78 N CA 0.155 53.197 53.050 -0.015 0.000 0.834 78 N CB -0.599 37.928 38.487 0.067 0.000 1.014 78 N HN 0.247 nan 8.380 nan 0.000 0.491 79 D N 1.628 122.034 120.400 0.011 0.000 2.434 79 D HA 0.031 4.672 4.640 0.001 0.000 0.252 79 D C -1.371 174.947 176.300 0.029 0.000 1.185 79 D CA -1.701 52.322 54.000 0.038 0.000 0.886 79 D CB 1.402 42.241 40.800 0.065 0.000 1.148 79 D HN 0.033 nan 8.370 nan 0.000 0.483 80 P HA -0.158 nan 4.420 nan 0.000 0.217 80 P C 1.034 178.372 177.300 0.063 0.000 1.151 80 P CA 1.184 64.307 63.100 0.038 0.000 0.849 80 P CB 0.141 31.865 31.700 0.039 0.000 0.787 81 S N -1.206 114.543 115.700 0.082 0.000 2.507 81 S HA -0.056 4.415 4.470 0.001 0.000 0.235 81 S C 1.387 176.123 174.600 0.228 0.000 0.988 81 S CA 0.829 59.109 58.200 0.134 0.000 0.944 81 S CB -0.749 62.496 63.200 0.075 0.000 0.762 81 S HN 0.220 nan 8.310 nan 0.000 0.526 82 N N 1.463 120.248 118.700 0.142 0.000 2.280 82 N HA 0.295 5.036 4.740 0.001 0.000 0.192 82 N C 0.274 175.763 175.510 -0.036 0.000 1.109 82 N CA 0.050 53.152 53.050 0.087 0.000 0.855 82 N CB -0.082 38.476 38.487 0.118 0.000 0.974 82 N HN 0.369 nan 8.380 nan 0.000 0.482 83 A N 0.082 122.897 122.820 -0.009 0.000 2.584 83 A HA 0.378 4.699 4.320 0.001 0.000 0.239 83 A C 1.525 179.081 177.584 -0.047 0.000 1.043 83 A CA 1.003 53.019 52.037 -0.034 0.000 0.756 83 A CB -0.437 18.568 19.000 0.009 0.000 0.963 83 A HN 0.482 nan 8.150 nan 0.000 0.511 84 G N 1.120 109.880 108.800 -0.067 0.000 2.241 84 G HA2 -0.262 3.698 3.960 0.001 0.000 0.244 84 G HA3 -0.262 3.698 3.960 0.001 0.000 0.244 84 G C 0.843 175.710 174.900 -0.055 0.000 0.998 84 G CA 0.431 45.490 45.100 -0.068 0.000 0.621 84 G HN 0.811 nan 8.290 nan 0.000 0.519 85 L N 1.874 123.039 121.223 -0.096 0.000 2.376 85 L HA -0.056 4.285 4.340 0.001 0.000 0.219 85 L C 3.166 180.075 176.870 0.066 0.000 1.133 85 L CA 1.559 56.345 54.840 -0.090 0.000 0.816 85 L CB -0.379 41.534 42.059 -0.243 0.000 0.933 85 L HN 0.558 nan 8.230 nan 0.000 0.449 86 Q N -0.206 119.618 119.800 0.041 0.000 2.248 86 Q HA -0.229 4.112 4.340 0.001 0.000 0.208 86 Q C 1.289 177.480 176.000 0.319 0.000 0.984 86 Q CA 1.482 57.413 55.803 0.213 0.000 0.875 86 Q CB -0.760 28.049 28.738 0.118 0.000 0.910 86 Q HN 0.487 nan 8.270 nan 0.000 0.433 87 N N 1.292 120.113 118.700 0.202 0.000 2.142 87 N HA -0.068 4.672 4.740 0.001 0.000 0.186 87 N C 1.930 177.575 175.510 0.226 0.000 1.023 87 N CA 1.647 54.827 53.050 0.216 0.000 0.852 87 N CB -0.670 37.920 38.487 0.172 0.000 0.998 87 N HN 0.533 nan 8.380 nan 0.000 0.424 88 G N -0.373 108.530 108.800 0.172 0.000 2.421 88 G HA2 -0.185 3.776 3.960 0.001 0.000 0.217 88 G HA3 -0.185 3.776 3.960 0.001 0.000 0.217 88 G C 1.437 176.469 174.900 0.220 0.000 1.143 88 G CA 0.006 45.176 45.100 0.117 0.000 0.784 88 G HN 0.278 nan 8.290 nan 0.000 0.541 89 F N 1.921 121.981 119.950 0.183 0.000 2.046 89 F HA -0.102 4.426 4.527 0.002 0.000 0.297 89 F C 2.954 178.894 175.800 0.232 0.000 1.123 89 F CA 2.158 60.336 58.000 0.296 0.000 1.199 89 F CB -0.054 39.243 39.000 0.495 0.000 0.972 89 F HN 0.040 nan 8.300 nan 0.000 0.474 90 K N -0.037 120.507 120.400 0.240 0.000 2.152 90 K HA -0.221 4.100 4.320 0.001 0.000 0.206 90 K C 1.778 178.347 176.600 -0.053 0.000 1.048 90 K CA 1.418 57.743 56.287 0.065 0.000 0.933 90 K CB -1.401 31.194 32.500 0.158 0.000 0.721 90 K HN 0.561 nan 8.250 nan 0.000 0.447 91 F N 0.793 120.606 119.950 -0.229 0.000 2.186 91 F HA 0.047 4.575 4.527 0.001 0.000 0.299 91 F C 1.639 177.256 175.800 -0.305 0.000 1.090 91 F CA 1.328 59.075 58.000 -0.421 0.000 1.307 91 F CB -0.071 38.491 39.000 -0.729 0.000 1.019 91 F HN -0.029 nan 8.300 nan 0.000 0.489 92 L N -0.259 120.964 121.223 -0.001 0.000 2.418 92 L HA -0.020 4.321 4.340 0.001 0.000 0.218 92 L C 2.126 178.870 176.870 -0.210 0.000 1.125 92 L CA 0.466 55.260 54.840 -0.077 0.000 0.835 92 L CB -0.603 41.491 42.059 0.057 0.000 0.953 92 L HN 0.115 nan 8.230 nan 0.000 0.454 93 E N 0.895 120.920 120.200 -0.292 0.000 2.033 93 E HA -0.221 4.130 4.350 0.001 0.000 0.199 93 E C -0.612 175.887 176.600 -0.168 0.000 1.011 93 E CA 1.688 57.931 56.400 -0.262 0.000 0.815 93 E CB -1.024 28.506 29.700 -0.283 0.000 0.755 93 E HN 0.415 nan 8.360 nan 0.000 0.451 94 P HA -0.180 nan 4.420 nan 0.000 0.217 94 P C 1.399 178.608 177.300 -0.152 0.000 1.148 94 P CA 1.312 64.304 63.100 -0.180 0.000 0.828 94 P CB -0.107 31.455 31.700 -0.229 0.000 0.783 95 I N -0.753 119.724 120.570 -0.155 0.000 2.252 95 I HA -0.213 3.958 4.170 0.001 0.000 0.245 95 I C 2.713 178.854 176.117 0.041 0.000 1.102 95 I CA 1.512 62.779 61.300 -0.055 0.000 1.385 95 I CB -1.492 36.435 38.000 -0.123 0.000 1.064 95 I HN 0.098 nan 8.210 nan 0.000 0.414 96 H N 1.226 120.208 119.070 -0.147 0.000 2.353 96 H HA -0.158 4.399 4.556 0.001 0.000 0.300 96 H C 2.427 177.655 175.328 -0.167 0.000 1.090 96 H CA 1.581 57.525 56.048 -0.174 0.000 1.327 96 H CB 0.368 30.010 29.762 -0.200 0.000 1.383 96 H HN 0.004 nan 8.280 nan 0.000 0.508 97 K N 0.264 120.640 120.400 -0.039 0.000 2.209 97 K HA -0.148 4.173 4.320 0.001 0.000 0.204 97 K C 1.909 178.413 176.600 -0.159 0.000 1.048 97 K CA 1.475 57.688 56.287 -0.124 0.000 0.940 97 K CB -0.145 32.280 32.500 -0.125 0.000 0.729 97 K HN 0.566 nan 8.250 nan 0.000 0.451 98 E N -1.582 118.505 120.200 -0.188 0.000 2.299 98 E HA 0.022 4.373 4.350 0.001 0.000 0.193 98 E C -0.520 175.714 176.600 -0.611 0.000 0.998 98 E CA 0.522 56.676 56.400 -0.410 0.000 0.851 98 E CB 0.292 29.672 29.700 -0.532 0.000 0.795 98 E HN 0.456 nan 8.360 nan 0.000 0.492 99 F N -0.403 119.414 119.950 -0.223 0.000 2.710 99 F HA 0.330 4.858 4.527 0.001 0.000 0.345 99 F C -2.226 173.231 175.800 -0.571 0.000 1.362 99 F CA -1.921 55.790 58.000 -0.482 0.000 1.175 99 F CB 1.672 40.263 39.000 -0.681 0.000 1.561 99 F HN -0.059 nan 8.300 nan 0.000 0.593 100 P HA -0.112 nan 4.420 nan 0.000 0.230 100 P C 1.428 178.697 177.300 -0.052 0.000 1.158 100 P CA 0.948 63.958 63.100 -0.150 0.000 0.769 100 P CB -0.056 31.584 31.700 -0.101 0.000 0.807 101 W N -1.277 120.077 121.300 0.089 0.000 3.047 101 W HA 0.240 4.900 4.660 0.001 0.000 0.250 101 W C 0.320 176.912 176.519 0.123 0.000 1.314 101 W CA -0.397 56.994 57.345 0.076 0.000 1.540 101 W CB -1.018 28.469 29.460 0.045 0.000 1.127 101 W HN -0.071 nan 8.180 nan 0.000 0.679 102 I N 3.801 124.248 120.570 -0.205 0.000 2.428 102 I HA 0.074 4.245 4.170 0.001 0.000 0.289 102 I C 1.102 177.284 176.117 0.108 0.000 1.019 102 I CA -0.212 61.041 61.300 -0.077 0.000 1.351 102 I CB 1.191 38.866 38.000 -0.542 0.000 1.412 102 I HN -0.115 nan 8.210 nan 0.000 0.513 103 S N 4.330 120.112 115.700 0.136 0.000 2.600 103 S HA 0.138 4.609 4.470 0.001 0.000 0.265 103 S C 1.053 175.594 174.600 -0.099 0.000 1.325 103 S CA -0.318 57.916 58.200 0.057 0.000 1.002 103 S CB 1.530 64.748 63.200 0.030 0.000 0.921 103 S HN 0.740 nan 8.310 nan 0.000 0.554 104 S N 1.955 117.571 115.700 -0.139 0.000 2.353 104 S HA -0.037 4.434 4.470 0.001 0.000 0.222 104 S C 2.178 176.415 174.600 -0.604 0.000 1.035 104 S CA 1.449 59.364 58.200 -0.474 0.000 1.025 104 S CB -1.359 61.682 63.200 -0.266 0.000 0.902 104 S HN 0.970 nan 8.310 nan 0.000 0.440 105 G N 1.586 110.266 108.800 -0.199 0.000 2.442 105 G HA2 -0.252 3.709 3.960 0.001 0.000 0.219 105 G HA3 -0.252 3.709 3.960 0.001 0.000 0.219 105 G C 1.045 175.972 174.900 0.045 0.000 1.141 105 G CA 1.205 46.303 45.100 -0.004 0.000 0.763 105 G HN 0.380 nan 8.290 nan 0.000 0.554 106 D N -0.106 120.326 120.400 0.053 0.000 2.097 106 D HA -0.078 4.563 4.640 0.001 0.000 0.197 106 D C 2.391 178.787 176.300 0.162 0.000 0.984 106 D CA 0.470 54.658 54.000 0.315 0.000 0.826 106 D CB -0.375 40.693 40.800 0.445 0.000 0.973 106 D HN 0.216 nan 8.370 nan 0.000 0.460 107 L N 0.067 121.186 121.223 -0.173 0.000 1.989 107 L HA -0.147 4.194 4.340 0.001 0.000 0.211 107 L C 2.163 178.960 176.870 -0.122 0.000 1.071 107 L CA 1.627 56.271 54.840 -0.326 0.000 0.749 107 L CB -0.900 40.735 42.059 -0.707 0.000 0.890 107 L HN 0.034 nan 8.230 nan 0.000 0.431 108 F N -0.440 119.510 119.950 0.000 0.000 2.126 108 F HA -0.272 4.255 4.527 0.001 0.000 0.299 108 F C 2.699 178.530 175.800 0.051 0.000 1.096 108 F CA 1.085 59.108 58.000 0.038 0.000 1.255 108 F CB -0.714 38.334 39.000 0.081 0.000 0.997 108 F HN 0.345 nan 8.300 nan 0.000 0.479 109 S N 0.328 116.208 115.700 0.300 0.000 2.395 109 S HA -0.140 4.331 4.470 0.001 0.000 0.225 109 S C 1.792 176.473 174.600 0.134 0.000 1.027 109 S CA 0.683 59.044 58.200 0.267 0.000 0.965 109 S CB -0.800 62.629 63.200 0.383 0.000 0.812 109 S HN 0.304 nan 8.310 nan 0.000 0.482 110 L N 2.831 124.022 121.223 -0.054 0.000 2.131 110 L HA 0.225 4.565 4.340 0.001 0.000 0.210 110 L C 2.297 179.019 176.870 -0.246 0.000 1.092 110 L CA 1.704 56.258 54.840 -0.478 0.000 0.759 110 L CB -1.307 40.284 42.059 -0.781 0.000 0.903 110 L HN 0.382 nan 8.230 nan 0.000 0.435 111 G N -0.960 107.776 108.800 -0.106 0.000 2.422 111 G HA2 -0.191 3.770 3.960 0.001 0.000 0.218 111 G HA3 -0.191 3.770 3.960 0.001 0.000 0.218 111 G C 1.493 176.384 174.900 -0.015 0.000 1.146 111 G CA 0.559 45.617 45.100 -0.069 0.000 0.769 111 G HN 0.578 nan 8.290 nan 0.000 0.547 112 G N 0.624 109.486 108.800 0.103 0.000 2.453 112 G HA2 -0.179 3.781 3.960 0.001 0.000 0.215 112 G HA3 -0.179 3.781 3.960 0.001 0.000 0.215 112 G C 1.808 176.878 174.900 0.283 0.000 1.201 112 G CA 1.372 46.634 45.100 0.270 0.000 0.784 112 G HN 0.300 nan 8.290 nan 0.000 0.545 113 V N 1.142 121.208 119.914 0.253 0.000 2.282 113 V HA -0.237 3.884 4.120 0.001 0.000 0.249 113 V C 3.190 179.336 176.094 0.088 0.000 1.057 113 V CA 2.515 64.951 62.300 0.228 0.000 1.032 113 V CB -1.178 30.766 31.823 0.201 0.000 0.645 113 V HN 0.427 nan 8.190 nan 0.000 0.447 114 T N 0.416 114.914 114.554 -0.093 0.000 2.684 114 T HA -0.218 4.133 4.350 0.001 0.000 0.267 114 T C 2.073 176.644 174.700 -0.215 0.000 1.036 114 T CA 1.793 63.675 62.100 -0.362 0.000 1.148 114 T CB -0.553 67.904 68.868 -0.686 0.000 0.863 114 T HN 0.597 nan 8.240 nan 0.000 0.436 115 A N 1.091 123.827 122.820 -0.141 0.000 1.883 115 A HA -0.088 4.233 4.320 0.001 0.000 0.217 115 A C 2.627 180.153 177.584 -0.097 0.000 1.186 115 A CA 1.703 53.679 52.037 -0.101 0.000 0.624 115 A CB -1.204 17.754 19.000 -0.071 0.000 0.822 115 A HN 0.339 nan 8.150 nan 0.000 0.444 116 V N 0.128 119.967 119.914 -0.126 0.000 2.231 116 V HA -0.374 3.747 4.120 0.001 0.000 0.248 116 V C 2.710 178.633 176.094 -0.286 0.000 1.054 116 V CA 2.468 64.580 62.300 -0.314 0.000 1.015 116 V CB -1.042 30.514 31.823 -0.445 0.000 0.638 116 V HN 0.670 nan 8.190 nan 0.000 0.444 117 Q N -0.735 118.985 119.800 -0.134 0.000 2.124 117 Q HA -0.188 4.152 4.340 0.001 0.000 0.202 117 Q C 2.219 178.223 176.000 0.007 0.000 0.977 117 Q CA 1.267 57.047 55.803 -0.039 0.000 0.850 117 Q CB -0.189 28.634 28.738 0.141 0.000 0.901 117 Q HN 0.614 nan 8.270 nan 0.000 0.429 118 E N 0.166 120.367 120.200 0.001 0.000 2.358 118 E HA -0.029 4.321 4.350 0.001 0.000 0.195 118 E C 1.296 177.905 176.600 0.016 0.000 1.010 118 E CA 0.646 57.057 56.400 0.018 0.000 0.856 118 E CB 0.097 29.785 29.700 -0.020 0.000 0.795 118 E HN 0.437 nan 8.360 nan 0.000 0.504 119 M N 0.007 119.602 119.600 -0.009 0.000 2.530 119 M HA 0.044 4.525 4.480 0.001 0.000 0.231 119 M C -0.281 176.057 176.300 0.063 0.000 1.180 119 M CA 0.274 55.595 55.300 0.036 0.000 0.985 119 M CB 0.125 32.758 32.600 0.055 0.000 1.623 119 M HN -0.057 nan 8.290 nan 0.000 0.475 120 Q N -1.155 118.663 119.800 0.030 0.000 2.493 120 Q HA -0.132 4.209 4.340 0.001 0.000 0.260 120 Q C 0.455 176.457 176.000 0.002 0.000 0.905 120 Q CA 0.266 56.105 55.803 0.060 0.000 1.140 120 Q CB -2.143 26.669 28.738 0.124 0.000 1.435 120 Q HN 0.741 nan 8.270 nan 0.000 0.581 121 G N 0.959 109.604 108.800 -0.258 0.000 2.508 121 G HA2 0.523 4.484 3.960 0.001 0.000 0.278 121 G HA3 0.523 4.484 3.960 0.001 0.000 0.278 121 G C -2.185 172.311 174.900 -0.672 0.000 1.389 121 G CA -0.670 43.934 45.100 -0.826 0.000 1.050 121 G HN 0.049 nan 8.290 nan 0.000 0.522 122 P HA 0.248 nan 4.420 nan 0.000 0.276 122 P C -0.740 176.422 177.300 -0.231 0.000 1.252 122 P CA -0.547 62.296 63.100 -0.428 0.000 0.802 122 P CB 0.817 32.270 31.700 -0.412 0.000 1.035 123 K N 1.394 121.745 120.400 -0.081 0.000 2.298 123 K HA 0.325 4.646 4.320 0.001 0.000 0.280 123 K C 0.119 176.724 176.600 0.007 0.000 1.032 123 K CA -0.255 56.026 56.287 -0.010 0.000 0.958 123 K CB 0.276 32.782 32.500 0.010 0.000 0.978 123 K HN 0.412 nan 8.250 nan 0.000 0.472 124 I N 4.860 125.471 120.570 0.068 0.000 2.354 124 I HA 0.243 4.414 4.170 0.001 0.000 0.286 124 I C -2.304 173.888 176.117 0.125 0.000 1.007 124 I CA -2.808 58.562 61.300 0.118 0.000 1.167 124 I CB 1.005 39.147 38.000 0.236 0.000 1.320 124 I HN 0.122 nan 8.210 nan 0.000 0.458 125 P HA 0.049 nan 4.420 nan 0.000 0.268 125 P C -1.013 176.341 177.300 0.090 0.000 1.205 125 P CA 0.175 63.275 63.100 0.001 0.000 0.771 125 P CB 0.557 32.209 31.700 -0.080 0.000 0.858 126 W N 4.214 125.427 121.300 -0.145 0.000 2.936 126 W HA 0.512 5.173 4.660 0.002 0.000 0.338 126 W C -0.940 175.434 176.519 -0.241 0.000 1.121 126 W CA -0.709 56.585 57.345 -0.086 0.000 1.209 126 W CB 1.736 31.297 29.460 0.168 0.000 1.420 126 W HN 0.212 nan 8.180 nan 0.000 0.516 127 R N 4.021 123.853 120.500 -1.114 0.000 2.637 127 R HA 0.583 4.923 4.340 0.001 0.000 0.291 127 R C -0.198 175.095 176.300 -1.678 0.000 0.963 127 R CA -0.745 54.600 56.100 -1.259 0.000 0.901 127 R CB 1.194 30.821 30.300 -1.122 0.000 1.160 127 R HN 0.662 nan 8.270 nan 0.000 0.457 128 C N -0.602 117.925 119.300 -1.288 0.000 2.396 128 C HA 0.908 5.369 4.460 0.001 0.000 0.359 128 C C 1.396 176.241 174.990 -0.241 0.000 1.307 128 C CA 0.503 59.015 59.018 -0.843 0.000 2.392 128 C CB 0.518 27.889 27.740 -0.615 0.000 2.245 128 C HN 1.042 nan 8.230 nan 0.000 0.615 129 G N 0.244 109.034 108.800 -0.017 0.000 2.296 129 G HA2 -0.105 3.856 3.960 0.001 0.000 0.188 129 G HA3 -0.105 3.856 3.960 0.001 0.000 0.188 129 G C 0.090 175.006 174.900 0.026 0.000 1.000 129 G CA -0.315 44.831 45.100 0.076 0.000 0.672 129 G HN 0.937 nan 8.290 nan 0.000 0.483 130 R N 0.064 120.538 120.500 -0.043 0.000 2.698 130 R HA 0.444 4.785 4.340 0.001 0.000 0.266 130 R C -0.276 175.760 176.300 -0.439 0.000 1.026 130 R CA 0.384 56.309 56.100 -0.292 0.000 1.102 130 R CB 0.998 31.207 30.300 -0.153 0.000 0.978 130 R HN 0.105 nan 8.270 nan 0.000 0.436 131 V N 2.397 121.707 119.914 -1.006 0.000 2.588 131 V HA 0.090 4.211 4.120 0.001 0.000 0.304 131 V C -0.682 175.186 176.094 -0.377 0.000 1.042 131 V CA -1.006 60.998 62.300 -0.492 0.000 0.877 131 V CB 2.031 33.673 31.823 -0.300 0.000 0.996 131 V HN 0.676 nan 8.190 nan 0.000 0.425 132 D N 3.105 123.425 120.400 -0.132 0.000 2.493 132 D HA 0.354 4.995 4.640 0.001 0.000 0.240 132 D C 0.556 176.893 176.300 0.062 0.000 1.142 132 D CA 0.587 54.574 54.000 -0.021 0.000 0.872 132 D CB 0.927 41.737 40.800 0.016 0.000 1.173 132 D HN 0.800 nan 8.370 nan 0.000 0.467 133 T N -0.581 114.065 114.554 0.153 0.000 2.950 133 T HA 0.712 5.063 4.350 0.001 0.000 0.288 133 T C -2.680 172.201 174.700 0.302 0.000 1.035 133 T CA -2.253 59.976 62.100 0.214 0.000 1.028 133 T CB 1.727 70.741 68.868 0.243 0.000 1.109 133 T HN -0.057 nan 8.240 nan 0.000 0.514 134 P HA 0.256 nan 4.420 nan 0.000 0.272 134 P C 0.688 177.863 177.300 -0.208 0.000 1.230 134 P CA -0.406 62.741 63.100 0.078 0.000 0.788 134 P CB 0.443 32.156 31.700 0.021 0.000 0.949 135 E N 1.200 120.959 120.200 -0.735 0.000 2.273 135 E HA -0.264 4.086 4.350 0.001 0.000 0.198 135 E C 1.011 177.210 176.600 -0.668 0.000 1.002 135 E CA 1.308 56.726 56.400 -1.637 0.000 0.828 135 E CB -0.090 28.937 29.700 -1.121 0.000 0.747 135 E HN 0.482 nan 8.360 nan 0.000 0.491 136 D N -0.743 119.465 120.400 -0.320 0.000 2.355 136 D HA -0.092 4.549 4.640 0.001 0.000 0.218 136 D C 1.436 177.701 176.300 -0.058 0.000 1.004 136 D CA 1.167 55.077 54.000 -0.150 0.000 0.880 136 D CB -0.163 40.578 40.800 -0.098 0.000 0.911 136 D HN 0.177 nan 8.370 nan 0.000 0.528 137 T N -2.968 111.572 114.554 -0.024 0.000 3.107 137 T HA 0.061 4.412 4.350 0.001 0.000 0.249 137 T C 0.719 175.482 174.700 0.105 0.000 1.096 137 T CA -0.287 61.858 62.100 0.075 0.000 1.012 137 T CB -0.700 68.255 68.868 0.144 0.000 0.977 137 T HN -0.098 nan 8.240 nan 0.000 0.527 138 T N 5.830 120.423 114.554 0.066 0.000 2.784 138 T HA 0.259 4.610 4.350 0.001 0.000 0.291 138 T C -2.359 172.395 174.700 0.090 0.000 0.942 138 T CA -0.910 61.261 62.100 0.118 0.000 1.161 138 T CB 0.552 69.480 68.868 0.100 0.000 0.885 138 T HN 0.313 nan 8.240 nan 0.000 0.534 139 P HA 0.173 nan 4.420 nan 0.000 0.271 139 P C -0.162 177.180 177.300 0.070 0.000 1.216 139 P CA -0.420 62.730 63.100 0.084 0.000 0.776 139 P CB 0.703 32.457 31.700 0.091 0.000 0.881 140 D N 1.745 122.175 120.400 0.050 0.000 2.368 140 D HA 0.077 4.718 4.640 0.001 0.000 0.240 140 D C 0.456 176.785 176.300 0.048 0.000 1.169 140 D CA 0.280 54.306 54.000 0.044 0.000 0.906 140 D CB 0.454 41.273 40.800 0.032 0.000 1.187 140 D HN 0.299 nan 8.370 nan 0.000 0.435 141 N N -0.323 118.405 118.700 0.047 0.000 2.415 141 N HA 0.318 5.059 4.740 0.001 0.000 0.248 141 N C 1.190 176.727 175.510 0.045 0.000 1.271 141 N CA 0.424 53.502 53.050 0.046 0.000 0.913 141 N CB 0.807 39.321 38.487 0.045 0.000 1.129 141 N HN 0.635 nan 8.380 nan 0.000 0.444 142 G N -0.052 108.776 108.800 0.046 0.000 2.163 142 G HA2 -0.236 3.724 3.960 0.001 0.000 0.213 142 G HA3 -0.236 3.724 3.960 0.001 0.000 0.213 142 G C 0.834 175.783 174.900 0.081 0.000 0.991 142 G CA -0.234 44.902 45.100 0.060 0.000 0.653 142 G HN 0.539 nan 8.290 nan 0.000 0.518 143 R N -0.599 119.942 120.500 0.068 0.000 2.280 143 R HA 0.322 4.663 4.340 0.001 0.000 0.195 143 R C 1.011 177.413 176.300 0.169 0.000 0.935 143 R CA 0.081 56.239 56.100 0.098 0.000 1.033 143 R CB 0.219 30.545 30.300 0.044 0.000 0.964 143 R HN 0.388 nan 8.270 nan 0.000 0.489 144 L N 2.950 124.201 121.223 0.046 0.000 2.375 144 L HA 0.312 4.653 4.340 0.001 0.000 0.271 144 L C -1.891 174.917 176.870 -0.103 0.000 1.107 144 L CA -2.073 52.711 54.840 -0.093 0.000 0.806 144 L CB 0.863 42.732 42.059 -0.317 0.000 1.146 144 L HN -0.134 nan 8.230 nan 0.000 0.447 145 P HA 0.158 nan 4.420 nan 0.000 0.281 145 P C -1.434 175.833 177.300 -0.056 0.000 1.249 145 P CA -0.589 62.259 63.100 -0.419 0.000 0.810 145 P CB 1.055 32.126 31.700 -1.049 0.000 1.008 146 D N 0.589 121.002 120.400 0.021 0.000 2.283 146 D HA 0.247 4.888 4.640 0.001 0.000 0.248 146 D C 1.021 177.302 176.300 -0.031 0.000 1.072 146 D CA -0.377 53.602 54.000 -0.035 0.000 0.929 146 D CB 1.371 42.085 40.800 -0.143 0.000 1.182 146 D HN 0.353 nan 8.370 nan 0.000 0.433 147 A N 1.224 124.049 122.820 0.009 0.000 2.132 147 A HA -0.082 4.239 4.320 0.001 0.000 0.213 147 A C 0.911 178.499 177.584 0.006 0.000 1.154 147 A CA 0.362 52.387 52.037 -0.020 0.000 0.753 147 A CB -0.026 18.851 19.000 -0.205 0.000 0.826 147 A HN 0.520 nan 8.150 nan 0.000 0.469 148 D N -0.082 120.336 120.400 0.030 0.000 2.690 148 D HA 0.154 4.795 4.640 0.001 0.000 0.236 148 D C 0.118 176.414 176.300 -0.007 0.000 1.218 148 D CA 0.003 54.043 54.000 0.066 0.000 0.829 148 D CB 0.074 40.929 40.800 0.092 0.000 1.009 148 D HN 0.084 nan 8.370 nan 0.000 0.482 149 K N 0.267 120.649 120.400 -0.031 0.000 2.208 149 K HA 0.361 4.682 4.320 0.001 0.000 0.241 149 K C 0.038 176.715 176.600 0.127 0.000 1.087 149 K CA -0.617 55.647 56.287 -0.038 0.000 0.883 149 K CB 0.890 33.205 32.500 -0.308 0.000 1.360 149 K HN 0.167 nan 8.250 nan 0.000 0.496 150 D N -1.358 119.153 120.400 0.184 0.000 2.569 150 D HA 0.345 4.985 4.640 0.001 0.000 0.266 150 D C 0.794 177.273 176.300 0.298 0.000 1.164 150 D CA -0.527 53.609 54.000 0.227 0.000 1.071 150 D CB 0.692 41.605 40.800 0.189 0.000 1.183 150 D HN 0.333 nan 8.370 nan 0.000 0.613 151 A N -0.036 122.949 122.820 0.274 0.000 1.948 151 A HA -0.058 4.263 4.320 0.001 0.000 0.220 151 A C 2.044 179.816 177.584 0.313 0.000 1.177 151 A CA 2.495 54.741 52.037 0.348 0.000 0.636 151 A CB -1.527 17.647 19.000 0.291 0.000 0.815 151 A HN 0.702 nan 8.150 nan 0.000 0.449 152 G N -1.913 107.027 108.800 0.233 0.000 2.402 152 G HA2 -0.229 3.731 3.960 0.001 0.000 0.216 152 G HA3 -0.229 3.731 3.960 0.001 0.000 0.216 152 G C 1.531 176.576 174.900 0.242 0.000 1.162 152 G CA 1.185 46.399 45.100 0.190 0.000 0.777 152 G HN 0.603 nan 8.290 nan 0.000 0.539 153 Y N 1.410 121.818 120.300 0.180 0.000 2.097 153 Y HA -0.187 4.364 4.550 0.001 0.000 0.282 153 Y C 2.837 178.904 175.900 0.278 0.000 1.152 153 Y CA 1.880 60.097 58.100 0.195 0.000 1.136 153 Y CB -0.471 38.083 38.460 0.157 0.000 0.975 153 Y HN 0.033 nan 8.280 nan 0.000 0.498 154 V N 1.079 121.199 119.914 0.344 0.000 2.252 154 V HA -0.379 3.742 4.120 0.001 0.000 0.249 154 V C 2.562 178.933 176.094 0.462 0.000 1.056 154 V CA 2.452 64.991 62.300 0.398 0.000 1.022 154 V CB -0.861 31.222 31.823 0.434 0.000 0.641 154 V HN 0.398 nan 8.190 nan 0.000 0.445 155 R N -0.435 120.305 120.500 0.400 0.000 2.080 155 R HA -0.192 4.148 4.340 0.001 0.000 0.236 155 R C 2.473 178.910 176.300 0.228 0.000 1.137 155 R CA 2.338 58.641 56.100 0.337 0.000 0.943 155 R CB -0.665 29.748 30.300 0.189 0.000 0.846 155 R HN 0.521 nan 8.270 nan 0.000 0.431 156 T N 0.581 115.217 114.554 0.137 0.000 2.652 156 T HA -0.197 4.154 4.350 0.001 0.000 0.267 156 T C 1.350 176.037 174.700 -0.021 0.000 1.039 156 T CA 1.693 63.823 62.100 0.049 0.000 1.153 156 T CB -0.427 68.461 68.868 0.033 0.000 0.863 156 T HN 0.304 nan 8.240 nan 0.000 0.428 157 F N 0.974 120.798 119.950 -0.210 0.000 2.043 157 F HA -0.138 4.390 4.527 0.001 0.000 0.297 157 F C 1.836 177.524 175.800 -0.187 0.000 1.121 157 F CA 1.483 59.296 58.000 -0.311 0.000 1.199 157 F CB -0.651 37.996 39.000 -0.589 0.000 0.968 157 F HN 0.152 nan 8.300 nan 0.000 0.478 158 F N 0.312 120.276 119.950 0.023 0.000 2.250 158 F HA -0.226 4.301 4.527 0.001 0.000 0.301 158 F C 2.530 178.303 175.800 -0.045 0.000 1.077 158 F CA 1.190 59.215 58.000 0.042 0.000 1.348 158 F CB -0.528 38.589 39.000 0.195 0.000 1.040 158 F HN 0.074 nan 8.300 nan 0.000 0.509 159 Q N 0.187 120.037 119.800 0.084 0.000 2.124 159 Q HA -0.193 4.148 4.340 0.001 0.000 0.202 159 Q C 2.280 178.227 176.000 -0.089 0.000 0.977 159 Q CA 1.116 56.935 55.803 0.026 0.000 0.850 159 Q CB -0.468 28.288 28.738 0.029 0.000 0.901 159 Q HN 0.377 nan 8.270 nan 0.000 0.429 160 R N 0.120 120.482 120.500 -0.230 0.000 2.241 160 R HA -0.048 4.292 4.340 0.001 0.000 0.224 160 R C 1.259 177.381 176.300 -0.296 0.000 1.101 160 R CA 0.608 56.505 56.100 -0.338 0.000 0.995 160 R CB 0.091 30.136 30.300 -0.426 0.000 0.870 160 R HN 0.208 nan 8.270 nan 0.000 0.463 161 L N -0.293 120.877 121.223 -0.089 0.000 2.769 161 L HA 0.186 4.527 4.340 0.001 0.000 0.240 161 L C 0.007 177.081 176.870 0.340 0.000 1.163 161 L CA -0.253 54.731 54.840 0.241 0.000 0.962 161 L CB 0.195 42.422 42.059 0.280 0.000 1.258 161 L HN 0.151 nan 8.230 nan 0.000 0.513 162 N N 0.317 119.123 118.700 0.176 0.000 2.776 162 N HA -0.151 4.589 4.740 0.001 0.000 0.250 162 N C -0.351 175.256 175.510 0.162 0.000 1.112 162 N CA 0.754 53.904 53.050 0.167 0.000 0.733 162 N CB -0.365 38.278 38.487 0.259 0.000 1.097 162 N HN 0.101 nan 8.380 nan 0.000 0.558 163 M N 0.508 120.228 119.600 0.200 0.000 2.300 163 M HA 0.343 4.824 4.480 0.001 0.000 0.348 163 M C 0.728 177.113 176.300 0.143 0.000 1.151 163 M CA -0.633 54.770 55.300 0.173 0.000 1.046 163 M CB 1.278 34.017 32.600 0.231 0.000 1.647 163 M HN 0.273 nan 8.290 nan 0.000 0.451 164 N N 1.134 119.894 118.700 0.100 0.000 2.448 164 N HA 0.229 4.970 4.740 0.001 0.000 0.274 164 N C 0.096 175.674 175.510 0.112 0.000 1.239 164 N CA -0.362 52.746 53.050 0.097 0.000 0.982 164 N CB 0.436 38.966 38.487 0.071 0.000 1.199 164 N HN 0.360 nan 8.380 nan 0.000 0.576 165 D N -0.246 120.238 120.400 0.140 0.000 2.106 165 D HA -0.198 4.443 4.640 0.001 0.000 0.191 165 D C 1.745 178.153 176.300 0.179 0.000 0.997 165 D CA 1.533 55.679 54.000 0.243 0.000 0.834 165 D CB -0.218 40.686 40.800 0.174 0.000 0.956 165 D HN 0.678 nan 8.370 nan 0.000 0.448 166 R N 0.919 121.491 120.500 0.119 0.000 2.083 166 R HA -0.173 4.168 4.340 0.001 0.000 0.237 166 R C 2.040 178.420 176.300 0.132 0.000 1.137 166 R CA 1.676 57.849 56.100 0.122 0.000 0.951 166 R CB -0.054 30.308 30.300 0.104 0.000 0.851 166 R HN 0.215 nan 8.270 nan 0.000 0.434 167 E N -0.389 119.854 120.200 0.071 0.000 2.077 167 E HA -0.175 4.176 4.350 0.001 0.000 0.193 167 E C 2.038 178.574 176.600 -0.107 0.000 0.989 167 E CA 1.588 57.995 56.400 0.012 0.000 0.800 167 E CB -0.007 29.698 29.700 0.007 0.000 0.746 167 E HN 0.178 nan 8.360 nan 0.000 0.452 168 V N 0.926 120.725 119.914 -0.191 0.000 2.261 168 V HA -0.242 3.879 4.120 0.001 0.000 0.246 168 V C 2.334 178.217 176.094 -0.352 0.000 1.047 168 V CA 1.503 63.495 62.300 -0.513 0.000 1.015 168 V CB -0.373 31.172 31.823 -0.463 0.000 0.642 168 V HN 0.143 nan 8.190 nan 0.000 0.446 169 V N 0.258 120.091 119.914 -0.135 0.000 2.427 169 V HA -0.214 3.907 4.120 0.001 0.000 0.248 169 V C 2.670 178.921 176.094 0.262 0.000 1.051 169 V CA 1.766 64.085 62.300 0.032 0.000 1.048 169 V CB -1.222 30.665 31.823 0.107 0.000 0.666 169 V HN 0.545 nan 8.190 nan 0.000 0.456 170 A N 0.004 123.008 122.820 0.306 0.000 1.865 170 A HA -0.176 4.145 4.320 0.001 0.000 0.217 170 A C 2.238 180.067 177.584 0.408 0.000 1.191 170 A CA 1.874 54.138 52.037 0.378 0.000 0.623 170 A CB -0.626 18.525 19.000 0.251 0.000 0.826 170 A HN 0.475 nan 8.150 nan 0.000 0.444 171 L N -1.872 119.396 121.223 0.075 0.000 2.131 171 L HA -0.166 4.175 4.340 0.001 0.000 0.210 171 L C 2.675 179.444 176.870 -0.169 0.000 1.092 171 L CA 1.451 56.254 54.840 -0.061 0.000 0.759 171 L CB -0.294 41.606 42.059 -0.265 0.000 0.903 171 L HN 0.430 nan 8.230 nan 0.000 0.435 172 M N -0.389 119.021 119.600 -0.317 0.000 2.476 172 M HA -0.014 4.467 4.480 0.001 0.000 0.262 172 M C 1.800 177.439 176.300 -1.101 0.000 1.079 172 M CA 0.909 55.792 55.300 -0.696 0.000 1.104 172 M CB -0.345 31.919 32.600 -0.559 0.000 1.409 172 M HN 0.101 nan 8.290 nan 0.000 0.467 173 G N -0.993 107.443 108.800 -0.607 0.000 2.708 173 G HA2 0.081 4.042 3.960 0.001 0.000 0.210 173 G HA3 0.081 4.042 3.960 0.001 0.000 0.210 173 G C 1.326 175.787 174.900 -0.731 0.000 1.141 173 G CA 0.628 45.158 45.100 -0.949 0.000 0.788 173 G HN 0.568 nan 8.290 nan 0.000 0.531 174 A N -0.293 122.195 122.820 -0.553 0.000 2.167 174 A HA 0.098 4.419 4.320 0.001 0.000 0.214 174 A C 1.591 178.906 177.584 -0.448 0.000 1.151 174 A CA 0.395 52.203 52.037 -0.381 0.000 0.735 174 A CB -0.494 18.426 19.000 -0.133 0.000 0.802 174 A HN 0.586 nan 8.150 nan 0.000 0.467 175 H N -0.962 117.552 119.070 -0.927 0.000 2.556 175 H HA 0.234 4.791 4.556 0.001 0.000 0.273 175 H C 1.910 176.776 175.328 -0.769 0.000 1.030 175 H CA 0.051 55.396 56.048 -1.172 0.000 1.156 175 H CB 0.255 29.145 29.762 -1.453 0.000 1.326 175 H HN 0.577 nan 8.280 nan 0.000 0.609 176 A N 0.578 123.148 122.820 -0.416 0.000 2.123 176 A HA 0.090 4.411 4.320 0.001 0.000 0.214 176 A C 0.753 178.275 177.584 -0.103 0.000 1.152 176 A CA 0.103 52.016 52.037 -0.208 0.000 0.728 176 A CB 0.076 18.890 19.000 -0.311 0.000 0.814 176 A HN 0.187 nan 8.150 nan 0.000 0.464 177 L N -0.679 120.480 121.223 -0.107 0.000 2.307 177 L HA 0.610 4.951 4.340 0.001 0.000 0.282 177 L C 1.196 178.187 176.870 0.201 0.000 1.051 177 L CA 0.052 54.913 54.840 0.035 0.000 0.804 177 L CB 0.810 42.884 42.059 0.026 0.000 1.197 177 L HN 0.507 nan 8.230 nan 0.000 0.431 178 G N 2.594 111.499 108.800 0.175 0.000 2.539 178 G HA2 -0.217 3.744 3.960 0.001 0.000 0.256 178 G HA3 -0.217 3.744 3.960 0.001 0.000 0.256 178 G C -0.614 174.379 174.900 0.155 0.000 1.233 178 G CA 0.345 45.555 45.100 0.183 0.000 0.936 178 G HN 1.031 nan 8.290 nan 0.000 0.571 179 K N -2.278 118.125 120.400 0.005 0.000 2.680 179 K HA 0.674 4.994 4.320 0.001 0.000 0.295 179 K C -0.466 175.804 176.600 -0.550 0.000 1.052 179 K CA -0.220 55.772 56.287 -0.493 0.000 0.863 179 K CB 0.855 33.092 32.500 -0.439 0.000 1.549 179 K HN 1.451 nan 8.250 nan 0.000 0.391 180 T N -1.034 113.094 114.554 -0.711 0.000 2.928 180 T HA 0.510 4.861 4.350 0.001 0.000 0.284 180 T C -0.835 173.599 174.700 -0.444 0.000 1.008 180 T CA -0.529 61.348 62.100 -0.373 0.000 1.057 180 T CB 0.622 69.354 68.868 -0.228 0.000 1.018 180 T HN 0.600 nan 8.240 nan 0.000 0.493 181 H N 1.556 120.609 119.070 -0.029 0.000 2.823 181 H HA 0.410 4.967 4.556 0.001 0.000 0.332 181 H C 0.624 175.952 175.328 -0.001 0.000 0.980 181 H CA -0.877 55.155 56.048 -0.026 0.000 1.286 181 H CB 1.527 31.274 29.762 -0.024 0.000 1.541 181 H HN 0.481 nan 8.280 nan 0.000 0.521 182 L N 2.386 123.647 121.223 0.063 0.000 2.051 182 L HA -0.233 4.108 4.340 0.001 0.000 0.214 182 L C 1.723 178.614 176.870 0.035 0.000 1.076 182 L CA 1.881 56.733 54.840 0.021 0.000 0.758 182 L CB -0.138 41.911 42.059 -0.015 0.000 0.890 182 L HN 0.552 nan 8.230 nan 0.000 0.433 183 K N -0.916 119.516 120.400 0.052 0.000 2.288 183 K HA -0.055 4.266 4.320 0.001 0.000 0.201 183 K C 1.664 178.291 176.600 0.044 0.000 1.048 183 K CA 0.935 57.243 56.287 0.035 0.000 0.956 183 K CB -0.385 32.130 32.500 0.026 0.000 0.746 183 K HN 0.427 nan 8.250 nan 0.000 0.461 184 N N 0.968 119.715 118.700 0.079 0.000 2.176 184 N HA -0.080 4.661 4.740 0.001 0.000 0.187 184 N C 1.836 177.407 175.510 0.103 0.000 1.043 184 N CA 1.831 54.927 53.050 0.076 0.000 0.851 184 N CB -0.142 38.398 38.487 0.087 0.000 1.018 184 N HN 0.220 nan 8.380 nan 0.000 0.436 185 S N -2.101 113.690 115.700 0.152 0.000 2.526 185 S HA 0.378 4.849 4.470 0.001 0.000 0.220 185 S C 1.250 175.943 174.600 0.156 0.000 1.017 185 S CA 0.413 58.741 58.200 0.214 0.000 0.930 185 S CB 0.989 64.394 63.200 0.341 0.000 0.856 185 S HN 0.442 nan 8.310 nan 0.000 0.497 186 G N 0.244 109.055 108.800 0.020 0.000 2.131 186 G HA2 -0.206 3.755 3.960 0.001 0.000 0.223 186 G HA3 -0.206 3.755 3.960 0.001 0.000 0.223 186 G C -0.320 174.260 174.900 -0.533 0.000 0.990 186 G CA 0.129 45.101 45.100 -0.213 0.000 0.671 186 G HN 0.542 nan 8.290 nan 0.000 0.521 187 Y N -0.759 119.536 120.300 -0.008 0.000 2.545 187 Y HA 0.745 5.296 4.550 0.001 0.000 0.348 187 Y C 0.044 175.897 175.900 -0.080 0.000 1.002 187 Y CA -1.198 56.879 58.100 -0.038 0.000 1.039 187 Y CB 2.312 40.753 38.460 -0.032 0.000 1.271 187 Y HN 0.112 nan 8.280 nan 0.000 0.467 188 E N 0.706 120.928 120.200 0.036 0.000 2.308 188 E HA 0.714 5.065 4.350 0.001 0.000 0.275 188 E C -0.775 175.762 176.600 -0.105 0.000 0.890 188 E CA -0.377 55.984 56.400 -0.066 0.000 0.754 188 E CB 2.014 31.681 29.700 -0.056 0.000 1.207 188 E HN 0.911 nan 8.360 nan 0.000 0.426 189 G N 3.703 112.386 108.800 -0.196 0.000 2.402 189 G HA2 0.096 4.057 3.960 0.001 0.000 0.666 189 G HA3 0.096 4.057 3.960 0.001 0.000 0.666 189 G C -3.029 171.695 174.900 -0.292 0.000 1.402 189 G CA -0.571 44.430 45.100 -0.166 0.000 0.920 189 G HN 0.460 nan 8.290 nan 0.000 0.651 190 P HA 0.421 nan 4.420 nan 0.000 0.277 190 P C 0.448 177.690 177.300 -0.097 0.000 1.240 190 P CA -0.447 62.554 63.100 -0.164 0.000 0.798 190 P CB 0.669 32.368 31.700 -0.001 0.000 0.979 191 F N 0.368 120.314 119.950 -0.007 0.000 2.416 191 F HA 0.203 4.731 4.527 0.001 0.000 0.296 191 F C 1.848 177.572 175.800 -0.127 0.000 1.099 191 F CA 1.358 59.363 58.000 0.007 0.000 1.427 191 F CB -0.009 38.981 39.000 -0.017 0.000 1.079 191 F HN 0.454 nan 8.300 nan 0.000 0.536 192 G N -1.403 107.308 108.800 -0.148 0.000 2.753 192 G HA2 0.508 4.468 3.960 0.001 0.000 0.303 192 G HA3 0.508 4.468 3.960 0.001 0.000 0.303 192 G C 0.102 174.651 174.900 -0.584 0.000 1.242 192 G CA -0.026 44.615 45.100 -0.763 0.000 0.810 192 G HN -0.014 nan 8.290 nan 0.000 0.515 193 A N -0.854 121.700 122.820 -0.443 0.000 1.901 193 A HA 0.638 4.959 4.320 0.001 0.000 0.210 193 A C 1.719 179.293 177.584 -0.016 0.000 1.208 193 A CA 1.764 53.762 52.037 -0.066 0.000 0.644 193 A CB -0.487 18.540 19.000 0.045 0.000 0.863 193 A HN 1.805 nan 8.150 nan 0.000 0.454 194 A N 1.413 124.213 122.820 -0.034 0.000 3.015 194 A HA 0.366 4.687 4.320 0.001 0.000 0.293 194 A C 0.316 177.902 177.584 0.005 0.000 1.572 194 A CA -0.117 51.922 52.037 0.004 0.000 1.274 194 A CB -1.450 17.552 19.000 0.004 0.000 1.156 194 A HN 0.706 nan 8.150 nan 0.000 0.562 195 N N 0.544 119.256 118.700 0.019 0.000 2.434 195 N HA -0.058 4.683 4.740 0.001 0.000 0.196 195 N C 0.332 175.872 175.510 0.050 0.000 1.183 195 N CA 0.387 53.455 53.050 0.030 0.000 0.849 195 N CB 0.061 38.569 38.487 0.035 0.000 0.992 195 N HN 0.524 nan 8.380 nan 0.000 0.460 196 N N -0.616 118.117 118.700 0.055 0.000 2.390 196 N HA 0.069 4.810 4.740 0.001 0.000 0.259 196 N C -1.423 174.134 175.510 0.079 0.000 1.395 196 N CA -0.347 52.745 53.050 0.070 0.000 0.852 196 N CB 0.288 38.821 38.487 0.077 0.000 1.371 196 N HN -0.043 nan 8.380 nan 0.000 0.491 197 V N 1.086 121.045 119.914 0.076 0.000 2.531 197 V HA 0.468 4.589 4.120 0.001 0.000 0.301 197 V C -1.027 175.135 176.094 0.112 0.000 1.034 197 V CA -0.891 61.470 62.300 0.102 0.000 0.865 197 V CB 1.661 33.538 31.823 0.090 0.000 0.995 197 V HN 0.180 nan 8.190 nan 0.000 0.424 198 F N 5.174 125.125 119.950 0.002 0.000 2.413 198 F HA 0.608 5.136 4.527 0.001 0.000 0.359 198 F C 0.679 176.591 175.800 0.186 0.000 1.122 198 F CA 0.319 58.307 58.000 -0.020 0.000 1.160 198 F CB 0.744 39.618 39.000 -0.211 0.000 1.146 198 F HN 0.734 nan 8.300 nan 0.000 0.514 199 T N 0.738 115.296 114.554 0.006 0.000 2.696 199 T HA 0.248 4.599 4.350 0.001 0.000 0.291 199 T C 0.294 175.083 174.700 0.149 0.000 1.095 199 T CA -0.694 61.538 62.100 0.221 0.000 1.026 199 T CB 1.178 70.106 68.868 0.100 0.000 1.390 199 T HN 0.596 nan 8.240 nan 0.000 0.513 200 N N -0.597 118.205 118.700 0.170 0.000 2.421 200 N HA 0.043 4.784 4.740 0.001 0.000 0.201 200 N C 1.224 176.726 175.510 -0.014 0.000 1.198 200 N CA -0.235 52.852 53.050 0.061 0.000 0.838 200 N CB 0.114 38.687 38.487 0.144 0.000 1.011 200 N HN 0.720 nan 8.380 nan 0.000 0.463 201 E N 0.928 121.092 120.200 -0.060 0.000 2.114 201 E HA -0.294 4.057 4.350 0.001 0.000 0.199 201 E C 1.281 177.817 176.600 -0.107 0.000 1.008 201 E CA 1.324 57.682 56.400 -0.071 0.000 0.810 201 E CB -0.179 29.466 29.700 -0.091 0.000 0.739 201 E HN 0.560 nan 8.360 nan 0.000 0.456 202 F N 0.375 120.078 119.950 -0.412 0.000 2.087 202 F HA -0.315 4.212 4.527 0.001 0.000 0.299 202 F C 1.736 177.264 175.800 -0.453 0.000 1.100 202 F CA 2.036 59.723 58.000 -0.521 0.000 1.226 202 F CB -0.584 37.917 39.000 -0.831 0.000 0.983 202 F HN 0.116 nan 8.300 nan 0.000 0.479 203 Y N 0.001 120.217 120.300 -0.141 0.000 2.163 203 Y HA -0.181 4.370 4.550 0.001 0.000 0.288 203 Y C 2.420 178.229 175.900 -0.152 0.000 1.136 203 Y CA 1.387 59.369 58.100 -0.197 0.000 1.147 203 Y CB -0.796 37.605 38.460 -0.099 0.000 0.987 203 Y HN 0.052 nan 8.280 nan 0.000 0.509 204 L N -0.133 121.112 121.223 0.035 0.000 2.046 204 L HA -0.249 4.092 4.340 0.001 0.000 0.208 204 L C 2.007 178.897 176.870 0.033 0.000 1.077 204 L CA 1.210 56.069 54.840 0.031 0.000 0.747 204 L CB -0.544 41.534 42.059 0.031 0.000 0.896 204 L HN 0.260 nan 8.230 nan 0.000 0.432 205 N N 0.038 118.751 118.700 0.021 0.000 2.120 205 N HA -0.142 4.599 4.740 0.001 0.000 0.188 205 N C 1.936 177.633 175.510 0.311 0.000 1.024 205 N CA 1.073 54.220 53.050 0.162 0.000 0.852 205 N CB -0.349 38.270 38.487 0.221 0.000 1.003 205 N HN 0.233 nan 8.380 nan 0.000 0.424 206 L N 0.492 121.739 121.223 0.040 0.000 2.012 206 L HA -0.161 4.180 4.340 0.001 0.000 0.210 206 L C 2.039 178.992 176.870 0.138 0.000 1.073 206 L CA 1.112 55.945 54.840 -0.012 0.000 0.748 206 L CB -0.336 41.458 42.059 -0.441 0.000 0.891 206 L HN 0.181 nan 8.230 nan 0.000 0.431 207 L N -1.049 120.205 121.223 0.052 0.000 2.072 207 L HA -0.168 4.173 4.340 0.001 0.000 0.205 207 L C 1.752 178.666 176.870 0.075 0.000 1.079 207 L CA 1.533 56.399 54.840 0.043 0.000 0.752 207 L CB -0.510 41.555 42.059 0.009 0.000 0.906 207 L HN 0.358 nan 8.230 nan 0.000 0.436 208 N N -1.312 117.431 118.700 0.071 0.000 2.422 208 N HA 0.003 4.744 4.740 0.001 0.000 0.181 208 N C 0.230 175.716 175.510 -0.039 0.000 1.080 208 N CA -0.045 53.019 53.050 0.023 0.000 0.893 208 N CB 0.459 38.955 38.487 0.014 0.000 0.973 208 N HN 0.249 nan 8.380 nan 0.000 0.456 209 E N 0.907 121.047 120.200 -0.101 0.000 2.250 209 E HA 0.089 4.440 4.350 0.001 0.000 0.265 209 E C -0.971 175.371 176.600 -0.431 0.000 1.033 209 E CA -0.263 55.868 56.400 -0.448 0.000 0.888 209 E CB 1.205 30.281 29.700 -1.040 0.000 1.151 209 E HN -0.002 nan 8.360 nan 0.000 0.412 210 D N 1.533 121.683 120.400 -0.416 0.000 2.485 210 D HA 0.160 4.801 4.640 0.001 0.000 0.221 210 D C -1.186 174.999 176.300 -0.192 0.000 1.112 210 D CA -0.434 53.459 54.000 -0.178 0.000 0.911 210 D CB -0.070 40.666 40.800 -0.107 0.000 1.019 210 D HN 0.169 nan 8.370 nan 0.000 0.516 211 W N 4.162 125.545 121.300 0.139 0.000 2.316 211 W HA 0.380 5.041 4.660 0.002 0.000 0.311 211 W C 0.446 177.142 176.519 0.294 0.000 1.217 211 W CA -0.881 56.597 57.345 0.222 0.000 1.199 211 W CB 0.999 30.611 29.460 0.254 0.000 1.202 211 W HN -0.097 nan 8.180 nan 0.000 0.528 212 K N 4.232 124.914 120.400 0.470 0.000 2.413 212 K HA 0.351 4.671 4.320 0.001 0.000 0.257 212 K C -1.045 175.545 176.600 -0.017 0.000 0.946 212 K CA -1.331 55.088 56.287 0.220 0.000 0.823 212 K CB 2.124 34.678 32.500 0.089 0.000 1.109 212 K HN 0.411 nan 8.250 nan 0.000 0.427 213 L N 3.123 124.098 121.223 -0.413 0.000 2.410 213 L HA 0.147 4.488 4.340 0.001 0.000 0.273 213 L C -0.272 176.347 176.870 -0.418 0.000 1.144 213 L CA 1.011 55.301 54.840 -0.916 0.000 0.863 213 L CB 0.117 41.404 42.059 -1.286 0.000 1.140 213 L HN 0.570 nan 8.230 nan 0.000 0.463 214 E N 3.758 123.748 120.200 -0.350 0.000 2.433 214 E HA 0.404 4.754 4.350 0.001 0.000 0.278 214 E C -1.328 175.164 176.600 -0.180 0.000 0.976 214 E CA -1.162 55.119 56.400 -0.198 0.000 0.793 214 E CB 1.861 31.492 29.700 -0.115 0.000 1.311 214 E HN 0.398 nan 8.360 nan 0.000 0.460 215 K N 1.253 121.573 120.400 -0.134 0.000 2.110 215 K HA 0.247 4.568 4.320 0.001 0.000 0.263 215 K C -0.215 176.326 176.600 -0.099 0.000 0.975 215 K CA -0.480 55.736 56.287 -0.117 0.000 0.895 215 K CB 0.731 33.171 32.500 -0.101 0.000 1.060 215 K HN 0.451 nan 8.250 nan 0.000 0.448 216 N N 0.138 118.772 118.700 -0.110 0.000 2.604 216 N HA 0.126 4.867 4.740 0.001 0.000 0.297 216 N C -0.086 175.365 175.510 -0.099 0.000 1.266 216 N CA -0.453 52.536 53.050 -0.100 0.000 0.961 216 N CB 0.377 38.795 38.487 -0.114 0.000 1.166 216 N HN 0.350 nan 8.380 nan 0.000 0.601 217 D N -1.072 119.276 120.400 -0.086 0.000 2.350 217 D HA -0.031 4.610 4.640 0.001 0.000 0.216 217 D C 0.965 177.214 176.300 -0.086 0.000 0.968 217 D CA 0.947 54.903 54.000 -0.074 0.000 0.894 217 D CB -0.285 40.480 40.800 -0.057 0.000 0.909 217 D HN 0.668 nan 8.370 nan 0.000 0.520 218 A N 0.460 123.207 122.820 -0.121 0.000 2.238 218 A HA 0.044 4.365 4.320 0.001 0.000 0.210 218 A C 0.878 178.382 177.584 -0.133 0.000 1.179 218 A CA 0.258 52.216 52.037 -0.132 0.000 0.827 218 A CB -0.225 18.668 19.000 -0.178 0.000 0.856 218 A HN 0.169 nan 8.150 nan 0.000 0.488 219 N N -0.564 118.057 118.700 -0.131 0.000 2.861 219 N HA -0.120 4.620 4.740 0.001 0.000 0.247 219 N C -1.223 174.208 175.510 -0.131 0.000 1.117 219 N CA 0.781 53.764 53.050 -0.111 0.000 0.703 219 N CB -1.652 36.785 38.487 -0.083 0.000 1.052 219 N HN 0.527 nan 8.380 nan 0.000 0.555 220 N N 0.554 119.142 118.700 -0.188 0.000 2.362 220 N HA 0.305 5.046 4.740 0.001 0.000 0.299 220 N C -0.691 174.734 175.510 -0.142 0.000 1.170 220 N CA -0.409 52.521 53.050 -0.200 0.000 0.825 220 N CB 0.961 39.188 38.487 -0.434 0.000 1.299 220 N HN 0.220 nan 8.380 nan 0.000 0.502 221 E N 0.909 121.068 120.200 -0.067 0.000 2.283 221 E HA 0.204 4.555 4.350 0.001 0.000 0.278 221 E C -0.360 176.249 176.600 0.016 0.000 1.027 221 E CA -0.397 55.949 56.400 -0.090 0.000 0.843 221 E CB 1.141 30.756 29.700 -0.141 0.000 1.062 221 E HN 0.449 nan 8.360 nan 0.000 0.401 222 Q N 1.554 121.306 119.800 -0.079 0.000 2.416 222 Q HA 0.380 4.721 4.340 0.001 0.000 0.281 222 Q C -1.401 174.484 176.000 -0.192 0.000 1.067 222 Q CA -1.018 54.795 55.803 0.016 0.000 0.809 222 Q CB 1.102 29.962 28.738 0.203 0.000 1.418 222 Q HN 0.420 nan 8.270 nan 0.000 0.411 223 W N 1.718 123.011 121.300 -0.012 0.000 2.335 223 W HA 0.358 5.018 4.660 0.001 0.000 0.306 223 W C -0.648 176.018 176.519 0.244 0.000 1.216 223 W CA 0.186 57.522 57.345 -0.016 0.000 1.237 223 W CB 1.042 30.313 29.460 -0.314 0.000 1.243 223 W HN 0.451 nan 8.180 nan 0.000 0.493 224 D N 1.853 122.528 120.400 0.459 0.000 2.375 224 D HA 0.263 4.904 4.640 0.001 0.000 0.247 224 D C -0.354 176.142 176.300 0.326 0.000 1.061 224 D CA -0.413 53.807 54.000 0.366 0.000 0.834 224 D CB 2.016 42.899 40.800 0.139 0.000 1.247 224 D HN 0.186 nan 8.370 nan 0.000 0.489 225 S N 0.230 115.992 115.700 0.103 0.000 2.638 225 S HA 0.298 4.769 4.470 0.001 0.000 0.298 225 S C 1.140 175.573 174.600 -0.278 0.000 1.111 225 S CA -0.589 57.400 58.200 -0.351 0.000 1.027 225 S CB 1.583 64.204 63.200 -0.966 0.000 1.064 225 S HN 0.229 nan 8.310 nan 0.000 0.525 226 K N 1.275 121.490 120.400 -0.308 0.000 2.288 226 K HA 0.092 4.413 4.320 0.001 0.000 0.201 226 K C 1.748 178.170 176.600 -0.296 0.000 1.048 226 K CA 1.254 57.401 56.287 -0.233 0.000 0.956 226 K CB -1.565 30.829 32.500 -0.177 0.000 0.746 226 K HN 0.578 nan 8.250 nan 0.000 0.461 227 S N 0.178 115.596 115.700 -0.470 0.000 2.607 227 S HA 0.268 4.739 4.470 0.001 0.000 0.224 227 S C 1.523 175.729 174.600 -0.656 0.000 0.969 227 S CA 0.578 58.413 58.200 -0.608 0.000 0.927 227 S CB -0.220 62.410 63.200 -0.950 0.000 0.772 227 S HN 0.952 nan 8.310 nan 0.000 0.533 228 G N 0.385 108.905 108.800 -0.466 0.000 2.157 228 G HA2 -0.249 3.712 3.960 0.001 0.000 0.239 228 G HA3 -0.249 3.712 3.960 0.001 0.000 0.239 228 G C -0.024 174.817 174.900 -0.099 0.000 0.982 228 G CA -0.174 44.777 45.100 -0.248 0.000 0.650 228 G HN 0.573 nan 8.290 nan 0.000 0.527 229 Y N -0.490 119.821 120.300 0.019 0.000 2.334 229 Y HA 0.714 5.264 4.550 0.001 0.000 0.325 229 Y C 0.728 176.793 175.900 0.275 0.000 1.308 229 Y CA -0.841 57.337 58.100 0.130 0.000 1.389 229 Y CB 0.820 39.405 38.460 0.208 0.000 1.328 229 Y HN 0.320 nan 8.280 nan 0.000 0.532 230 M N 0.742 120.642 119.600 0.500 0.000 2.619 230 M HA 0.686 5.167 4.480 0.001 0.000 0.297 230 M C -1.652 174.873 176.300 0.374 0.000 1.229 230 M CA -1.036 54.518 55.300 0.422 0.000 0.860 230 M CB 2.190 34.899 32.600 0.181 0.000 1.741 230 M HN 0.382 nan 8.290 nan 0.000 0.462 231 M N 2.648 122.379 119.600 0.218 0.000 2.386 231 M HA 0.561 5.042 4.480 0.001 0.000 0.293 231 M C -1.377 175.030 176.300 0.177 0.000 1.120 231 M CA -0.426 54.922 55.300 0.081 0.000 0.909 231 M CB 2.127 34.505 32.600 -0.369 0.000 1.661 231 M HN 0.908 nan 8.290 nan 0.000 0.452 232 L N 3.036 124.356 121.223 0.162 0.000 2.439 232 L HA 0.263 4.604 4.340 0.001 0.000 0.261 232 L C -1.353 175.649 176.870 0.220 0.000 1.153 232 L CA -1.502 53.382 54.840 0.073 0.000 0.808 232 L CB 0.195 42.209 42.059 -0.076 0.000 1.126 232 L HN 0.435 nan 8.230 nan 0.000 0.460 233 P HA -0.213 nan 4.420 nan 0.000 0.216 233 P C 1.516 178.962 177.300 0.243 0.000 1.157 233 P CA 1.914 65.220 63.100 0.343 0.000 0.880 233 P CB -0.029 31.817 31.700 0.244 0.000 0.791 234 T N -3.500 111.154 114.554 0.167 0.000 2.759 234 T HA -0.175 4.176 4.350 0.001 0.000 0.269 234 T C 1.429 176.210 174.700 0.135 0.000 1.042 234 T CA 1.553 63.750 62.100 0.162 0.000 1.140 234 T CB -1.093 67.872 68.868 0.161 0.000 0.864 234 T HN 0.075 nan 8.240 nan 0.000 0.455 235 D N 0.173 120.661 120.400 0.146 0.000 2.097 235 D HA -0.046 4.595 4.640 0.001 0.000 0.197 235 D C 1.789 178.067 176.300 -0.037 0.000 0.984 235 D CA 1.025 55.112 54.000 0.145 0.000 0.826 235 D CB -0.562 40.380 40.800 0.237 0.000 0.973 235 D HN 0.487 nan 8.370 nan 0.000 0.460 236 Y N 1.980 122.136 120.300 -0.241 0.000 2.207 236 Y HA -0.282 4.269 4.550 0.001 0.000 0.287 236 Y C 2.587 178.318 175.900 -0.282 0.000 1.156 236 Y CA 1.938 59.747 58.100 -0.486 0.000 1.182 236 Y CB -0.051 37.909 38.460 -0.834 0.000 0.979 236 Y HN -0.028 nan 8.280 nan 0.000 0.521 237 S N -0.104 115.587 115.700 -0.017 0.000 2.465 237 S HA -0.196 4.275 4.470 0.001 0.000 0.241 237 S C 1.768 176.367 174.600 -0.003 0.000 1.000 237 S CA 1.304 59.522 58.200 0.029 0.000 0.964 237 S CB -0.940 62.356 63.200 0.161 0.000 0.763 237 S HN 0.567 nan 8.310 nan 0.000 0.512 238 L N 1.136 122.307 121.223 -0.086 0.000 2.353 238 L HA 0.052 4.392 4.340 0.001 0.000 0.220 238 L C 2.300 179.117 176.870 -0.087 0.000 1.133 238 L CA 1.273 56.075 54.840 -0.064 0.000 0.798 238 L CB -0.684 41.306 42.059 -0.115 0.000 0.922 238 L HN 0.580 nan 8.230 nan 0.000 0.445 239 I N -4.770 115.626 120.570 -0.290 0.000 3.968 239 I HA -0.004 4.167 4.170 0.001 0.000 0.328 239 I C 1.822 177.787 176.117 -0.253 0.000 1.290 239 I CA 0.229 61.342 61.300 -0.312 0.000 1.163 239 I CB -0.052 37.668 38.000 -0.467 0.000 1.024 239 I HN 0.191 nan 8.210 nan 0.000 0.413 240 Q N 1.359 121.036 119.800 -0.204 0.000 2.212 240 Q HA 0.048 4.389 4.340 0.001 0.000 0.199 240 Q C 0.575 176.562 176.000 -0.022 0.000 0.950 240 Q CA 0.628 56.376 55.803 -0.092 0.000 0.863 240 Q CB 0.224 28.946 28.738 -0.027 0.000 0.944 240 Q HN 0.508 nan 8.270 nan 0.000 0.465 241 D N 0.601 121.014 120.400 0.021 0.000 2.277 241 D HA 0.041 4.682 4.640 0.001 0.000 0.249 241 D C -1.877 174.407 176.300 -0.026 0.000 1.134 241 D CA -2.094 51.904 54.000 -0.004 0.000 0.863 241 D CB 1.669 42.456 40.800 -0.022 0.000 1.143 241 D HN -0.108 nan 8.370 nan 0.000 0.458 242 P HA -0.104 nan 4.420 nan 0.000 0.216 242 P C 0.969 178.233 177.300 -0.059 0.000 1.153 242 P CA 1.258 64.327 63.100 -0.053 0.000 0.848 242 P CB 0.468 32.136 31.700 -0.053 0.000 0.787 243 K N -1.004 119.332 120.400 -0.106 0.000 2.026 243 K HA -0.137 4.184 4.320 0.001 0.000 0.208 243 K C 2.420 179.010 176.600 -0.017 0.000 1.048 243 K CA 1.408 57.629 56.287 -0.109 0.000 0.929 243 K CB -0.805 31.572 32.500 -0.204 0.000 0.713 243 K HN 0.211 nan 8.250 nan 0.000 0.439 244 Y N 0.396 120.672 120.300 -0.041 0.000 2.145 244 Y HA -0.252 4.299 4.550 0.002 0.000 0.286 244 Y C 2.290 178.146 175.900 -0.073 0.000 1.145 244 Y CA 0.324 58.398 58.100 -0.044 0.000 1.148 244 Y CB -0.140 38.306 38.460 -0.022 0.000 0.981 244 Y HN 0.044 nan 8.280 nan 0.000 0.507 245 L N 0.478 121.750 121.223 0.082 0.000 2.042 245 L HA -0.249 4.092 4.340 0.001 0.000 0.210 245 L C 2.326 179.165 176.870 -0.051 0.000 1.076 245 L CA 2.246 57.078 54.840 -0.013 0.000 0.749 245 L CB -0.990 41.047 42.059 -0.038 0.000 0.893 245 L HN 0.146 nan 8.230 nan 0.000 0.432 246 S N -0.617 115.050 115.700 -0.054 0.000 2.402 246 S HA -0.133 4.338 4.470 0.001 0.000 0.229 246 S C 2.017 176.523 174.600 -0.157 0.000 1.021 246 S CA 1.561 59.708 58.200 -0.089 0.000 0.974 246 S CB -0.848 62.306 63.200 -0.077 0.000 0.800 246 S HN 0.573 nan 8.310 nan 0.000 0.484 247 I N 1.517 121.990 120.570 -0.161 0.000 2.286 247 I HA -0.103 4.068 4.170 0.001 0.000 0.245 247 I C 2.341 178.174 176.117 -0.474 0.000 1.104 247 I CA 0.672 61.759 61.300 -0.355 0.000 1.397 247 I CB -0.725 37.123 38.000 -0.253 0.000 1.072 247 I HN 0.142 nan 8.210 nan 0.000 0.417 248 V N 1.412 121.198 119.914 -0.213 0.000 2.278 248 V HA -0.351 3.770 4.120 0.001 0.000 0.251 248 V C 2.510 178.490 176.094 -0.190 0.000 1.062 248 V CA 2.045 64.269 62.300 -0.127 0.000 1.038 248 V CB -0.828 31.008 31.823 0.021 0.000 0.646 248 V HN 0.411 nan 8.190 nan 0.000 0.447 249 K N -0.396 119.911 120.400 -0.155 0.000 2.063 249 K HA -0.271 4.050 4.320 0.001 0.000 0.208 249 K C 2.254 178.764 176.600 -0.149 0.000 1.048 249 K CA 1.921 58.137 56.287 -0.118 0.000 0.928 249 K CB -0.252 32.191 32.500 -0.096 0.000 0.713 249 K HN 0.566 nan 8.250 nan 0.000 0.442 250 E N 0.162 120.212 120.200 -0.249 0.000 2.077 250 E HA -0.192 4.159 4.350 0.001 0.000 0.193 250 E C 1.768 178.281 176.600 -0.146 0.000 0.989 250 E CA 1.279 57.536 56.400 -0.238 0.000 0.800 250 E CB -0.030 29.450 29.700 -0.367 0.000 0.746 250 E HN 0.447 nan 8.360 nan 0.000 0.452 251 Y N -0.508 119.622 120.300 -0.283 0.000 2.314 251 Y HA -0.087 4.464 4.550 0.001 0.000 0.293 251 Y C 2.381 178.130 175.900 -0.252 0.000 1.129 251 Y CA 0.124 57.966 58.100 -0.430 0.000 1.201 251 Y CB 0.025 37.748 38.460 -1.228 0.000 0.999 251 Y HN 0.159 nan 8.280 nan 0.000 0.541 252 A N 0.399 123.202 122.820 -0.029 0.000 1.969 252 A HA -0.173 4.148 4.320 0.001 0.000 0.218 252 A C 1.859 179.459 177.584 0.027 0.000 1.169 252 A CA 1.581 53.649 52.037 0.052 0.000 0.635 252 A CB -0.459 18.565 19.000 0.040 0.000 0.810 252 A HN 0.445 nan 8.150 nan 0.000 0.445 253 N N -0.831 117.871 118.700 0.004 0.000 2.415 253 N HA -0.032 4.709 4.740 0.001 0.000 0.176 253 N C -0.625 174.895 175.510 0.017 0.000 1.042 253 N CA 0.699 53.752 53.050 0.004 0.000 0.902 253 N CB 0.333 38.810 38.487 -0.016 0.000 0.986 253 N HN 0.383 nan 8.380 nan 0.000 0.447 254 D N 0.135 120.562 120.400 0.046 0.000 2.328 254 D HA 0.040 4.681 4.640 0.001 0.000 0.243 254 D C 0.707 177.057 176.300 0.083 0.000 1.324 254 D CA -0.274 53.757 54.000 0.052 0.000 0.966 254 D CB 0.943 41.781 40.800 0.064 0.000 1.324 254 D HN -0.050 nan 8.370 nan 0.000 0.549 255 Q N 2.335 122.136 119.800 0.001 0.000 2.135 255 Q HA -0.216 4.125 4.340 0.001 0.000 0.204 255 Q C 0.819 176.693 176.000 -0.210 0.000 0.981 255 Q CA 1.993 57.747 55.803 -0.081 0.000 0.856 255 Q CB 0.185 28.777 28.738 -0.244 0.000 0.902 255 Q HN 0.422 nan 8.270 nan 0.000 0.425 256 D N 0.031 120.335 120.400 -0.159 0.000 2.084 256 D HA -0.202 4.438 4.640 0.001 0.000 0.194 256 D C 1.763 178.099 176.300 0.061 0.000 0.990 256 D CA 1.551 55.500 54.000 -0.084 0.000 0.826 256 D CB -0.074 40.695 40.800 -0.051 0.000 0.971 256 D HN 0.101 nan 8.370 nan 0.000 0.453 257 K N -0.261 120.206 120.400 0.111 0.000 2.063 257 K HA -0.146 4.175 4.320 0.001 0.000 0.208 257 K C 1.994 178.723 176.600 0.215 0.000 1.048 257 K CA 1.083 57.482 56.287 0.187 0.000 0.928 257 K CB -1.042 31.601 32.500 0.239 0.000 0.713 257 K HN 0.261 nan 8.250 nan 0.000 0.442 258 F N 0.159 120.106 119.950 -0.006 0.000 2.102 258 F HA -0.100 4.428 4.527 0.001 0.000 0.298 258 F C 1.750 177.602 175.800 0.087 0.000 1.105 258 F CA 1.488 59.281 58.000 -0.345 0.000 1.239 258 F CB -0.811 37.965 39.000 -0.372 0.000 0.991 258 F HN 0.070 nan 8.300 nan 0.000 0.474 259 F N 0.501 120.223 119.950 -0.379 0.000 2.095 259 F HA -0.250 4.278 4.527 0.001 0.000 0.298 259 F C 2.461 178.157 175.800 -0.173 0.000 1.104 259 F CA 1.272 59.053 58.000 -0.365 0.000 1.232 259 F CB -0.385 38.524 39.000 -0.152 0.000 0.987 259 F HN -0.052 nan 8.300 nan 0.000 0.475 260 K N 0.423 120.895 120.400 0.121 0.000 2.032 260 K HA -0.190 4.131 4.320 0.001 0.000 0.209 260 K C 1.482 178.118 176.600 0.059 0.000 1.048 260 K CA 1.924 58.260 56.287 0.082 0.000 0.927 260 K CB -0.284 32.270 32.500 0.091 0.000 0.712 260 K HN 0.075 nan 8.250 nan 0.000 0.441 261 D N -0.444 119.998 120.400 0.071 0.000 2.117 261 D HA -0.145 4.496 4.640 0.001 0.000 0.198 261 D C 1.630 177.963 176.300 0.056 0.000 0.982 261 D CA 0.785 54.838 54.000 0.089 0.000 0.828 261 D CB -0.215 40.697 40.800 0.186 0.000 0.967 261 D HN 0.089 nan 8.370 nan 0.000 0.464 262 F N 1.187 121.033 119.950 -0.174 0.000 2.102 262 F HA -0.236 4.292 4.527 0.002 0.000 0.298 262 F C 2.557 178.315 175.800 -0.071 0.000 1.105 262 F CA 1.604 59.503 58.000 -0.169 0.000 1.239 262 F CB -0.330 38.400 39.000 -0.450 0.000 0.991 262 F HN -0.124 nan 8.300 nan 0.000 0.474 263 S N -0.016 115.726 115.700 0.069 0.000 2.359 263 S HA -0.287 4.184 4.470 0.001 0.000 0.223 263 S C 2.155 176.748 174.600 -0.012 0.000 1.039 263 S CA 2.013 60.240 58.200 0.045 0.000 1.042 263 S CB -0.411 62.804 63.200 0.024 0.000 0.915 263 S HN 0.473 nan 8.310 nan 0.000 0.439 264 K N 0.609 120.997 120.400 -0.020 0.000 2.026 264 K HA 0.029 4.350 4.320 0.001 0.000 0.208 264 K C 2.430 178.997 176.600 -0.056 0.000 1.048 264 K CA 1.275 57.544 56.287 -0.029 0.000 0.929 264 K CB -0.470 32.026 32.500 -0.008 0.000 0.713 264 K HN 0.445 nan 8.250 nan 0.000 0.439 265 A N 0.354 123.127 122.820 -0.079 0.000 1.972 265 A HA -0.156 4.165 4.320 0.001 0.000 0.219 265 A C 1.989 179.502 177.584 -0.118 0.000 1.169 265 A CA 1.094 53.073 52.037 -0.096 0.000 0.635 265 A CB -0.660 18.277 19.000 -0.105 0.000 0.810 265 A HN 0.369 nan 8.150 nan 0.000 0.446 266 F N 0.170 119.863 119.950 -0.430 0.000 2.113 266 F HA -0.123 4.405 4.527 0.002 0.000 0.297 266 F C 2.364 178.078 175.800 -0.142 0.000 1.103 266 F CA 1.804 59.565 58.000 -0.398 0.000 1.248 266 F CB 0.016 38.623 39.000 -0.654 0.000 0.999 266 F HN 0.398 nan 8.300 nan 0.000 0.475 267 E N 0.648 120.764 120.200 -0.141 0.000 2.051 267 E HA -0.315 4.036 4.350 0.001 0.000 0.192 267 E C 2.270 178.776 176.600 -0.156 0.000 0.991 267 E CA 1.594 57.905 56.400 -0.148 0.000 0.799 267 E CB -0.220 29.429 29.700 -0.086 0.000 0.748 267 E HN 0.362 nan 8.360 nan 0.000 0.449 268 K N 0.371 120.700 120.400 -0.118 0.000 2.044 268 K HA -0.223 4.098 4.320 0.001 0.000 0.210 268 K C 2.334 178.860 176.600 -0.122 0.000 1.049 268 K CA 1.547 57.772 56.287 -0.104 0.000 0.927 268 K CB -0.322 32.141 32.500 -0.061 0.000 0.713 268 K HN 0.191 nan 8.250 nan 0.000 0.443 269 L N 1.387 122.552 121.223 -0.097 0.000 2.043 269 L HA -0.165 4.176 4.340 0.001 0.000 0.212 269 L C 1.950 178.751 176.870 -0.115 0.000 1.075 269 L CA 1.652 56.467 54.840 -0.042 0.000 0.752 269 L CB -0.289 41.801 42.059 0.052 0.000 0.891 269 L HN 0.274 nan 8.230 nan 0.000 0.432 270 L N -0.995 120.110 121.223 -0.197 0.000 2.217 270 L HA -0.107 4.234 4.340 0.001 0.000 0.211 270 L C 2.035 178.834 176.870 -0.119 0.000 1.107 270 L CA 1.088 55.830 54.840 -0.163 0.000 0.783 270 L CB -0.402 41.525 42.059 -0.220 0.000 0.919 270 L HN 0.389 nan 8.230 nan 0.000 0.442 271 E N -0.823 119.294 120.200 -0.138 0.000 2.474 271 E HA 0.036 4.386 4.350 0.001 0.000 0.195 271 E C -0.021 176.429 176.600 -0.250 0.000 1.039 271 E CA -0.383 55.969 56.400 -0.081 0.000 0.881 271 E CB 0.272 29.990 29.700 0.029 0.000 0.970 271 E HN 0.336 nan 8.360 nan 0.000 0.486 272 N N 0.895 119.331 118.700 -0.439 0.000 2.412 272 N HA 0.004 4.745 4.740 0.001 0.000 0.258 272 N C 0.899 175.696 175.510 -1.188 0.000 1.236 272 N CA 1.281 53.752 53.050 -0.964 0.000 0.882 272 N CB 1.113 38.779 38.487 -1.368 0.000 1.066 272 N HN 0.327 nan 8.380 nan 0.000 0.465 273 G N 1.357 109.535 108.800 -1.038 0.000 2.175 273 G HA2 -0.241 3.720 3.960 0.001 0.000 0.244 273 G HA3 -0.241 3.720 3.960 0.001 0.000 0.244 273 G C 0.007 174.791 174.900 -0.192 0.000 0.982 273 G CA -0.198 44.678 45.100 -0.374 0.000 0.641 273 G HN 0.538 nan 8.290 nan 0.000 0.527 274 I N 1.456 121.820 120.570 -0.345 0.000 2.441 274 I HA 0.461 4.632 4.170 0.001 0.000 0.295 274 I C 0.077 175.859 176.117 -0.558 0.000 0.994 274 I CA -0.758 60.253 61.300 -0.481 0.000 1.144 274 I CB 2.071 39.723 38.000 -0.581 0.000 1.314 274 I HN -0.032 nan 8.210 nan 0.000 0.445 275 T N 5.854 120.083 114.554 -0.542 0.000 2.767 275 T HA 0.476 4.827 4.350 0.001 0.000 0.284 275 T C -0.564 173.820 174.700 -0.526 0.000 0.973 275 T CA -0.199 61.664 62.100 -0.395 0.000 0.996 275 T CB 0.273 69.008 68.868 -0.221 0.000 0.927 275 T HN 0.120 nan 8.240 nan 0.000 0.456 276 F N 4.391 124.291 119.950 -0.082 0.000 2.332 276 F HA 0.386 4.913 4.527 0.001 0.000 0.368 276 F C -1.736 174.023 175.800 -0.069 0.000 1.110 276 F CA -2.586 55.362 58.000 -0.086 0.000 1.087 276 F CB 0.403 39.328 39.000 -0.126 0.000 1.235 276 F HN 0.343 nan 8.300 nan 0.000 0.470 277 P HA -0.001 nan 4.420 nan 0.000 0.268 277 P C 0.903 178.231 177.300 0.046 0.000 1.208 277 P CA -0.251 62.876 63.100 0.044 0.000 0.777 277 P CB 0.613 32.334 31.700 0.036 0.000 0.875 278 K N 0.819 121.231 120.400 0.021 0.000 2.362 278 K HA -0.118 4.203 4.320 0.001 0.000 0.200 278 K C 0.906 177.504 176.600 -0.004 0.000 1.046 278 K CA 1.771 58.061 56.287 0.004 0.000 0.952 278 K CB -1.204 31.295 32.500 -0.003 0.000 0.753 278 K HN 0.700 nan 8.250 nan 0.000 0.466 279 D N -0.156 120.248 120.400 0.006 0.000 2.354 279 D HA 0.149 4.790 4.640 0.001 0.000 0.209 279 D C 0.709 177.010 176.300 0.001 0.000 1.015 279 D CA 0.415 54.417 54.000 0.003 0.000 0.867 279 D CB -0.174 40.633 40.800 0.011 0.000 0.933 279 D HN 0.503 nan 8.370 nan 0.000 0.520 280 A N 2.388 125.212 122.820 0.006 0.000 2.561 280 A HA 0.268 4.589 4.320 0.001 0.000 0.234 280 A C -1.913 175.620 177.584 -0.084 0.000 1.055 280 A CA -0.691 51.341 52.037 -0.008 0.000 0.756 280 A CB -0.405 18.622 19.000 0.045 0.000 0.986 280 A HN 0.176 nan 8.150 nan 0.000 0.505 281 P HA 0.135 nan 4.420 nan 0.000 0.269 281 P C 0.195 177.290 177.300 -0.341 0.000 1.209 281 P CA -0.200 62.797 63.100 -0.171 0.000 0.776 281 P CB 0.470 32.086 31.700 -0.140 0.000 0.876 282 S N 2.390 117.907 115.700 -0.305 0.000 2.572 282 S HA 0.139 4.610 4.470 0.001 0.000 0.267 282 S C -2.025 172.231 174.600 -0.575 0.000 1.361 282 S CA -0.476 57.509 58.200 -0.357 0.000 1.009 282 S CB -0.861 62.197 63.200 -0.236 0.000 0.888 282 S HN 0.396 nan 8.310 nan 0.000 0.553 283 P HA 0.133 nan 4.420 nan 0.000 0.268 283 P C -0.861 176.182 177.300 -0.428 0.000 1.204 283 P CA 0.292 63.061 63.100 -0.552 0.000 0.768 283 P CB 0.140 31.617 31.700 -0.372 0.000 0.842 284 F N 2.275 122.067 119.950 -0.264 0.000 2.375 284 F HA 0.392 4.920 4.527 0.002 0.000 0.333 284 F C 0.957 176.461 175.800 -0.494 0.000 1.104 284 F CA -0.641 57.126 58.000 -0.387 0.000 1.149 284 F CB 0.613 39.364 39.000 -0.415 0.000 1.190 284 F HN 0.076 nan 8.300 nan 0.000 0.533 285 I N 3.678 124.090 120.570 -0.265 0.000 2.405 285 I HA 0.214 4.384 4.170 0.001 0.000 0.280 285 I C -0.802 175.203 176.117 -0.186 0.000 1.027 285 I CA -0.405 60.761 61.300 -0.223 0.000 1.161 285 I CB 0.363 38.294 38.000 -0.115 0.000 1.300 285 I HN 0.316 nan 8.210 nan 0.000 0.463 286 F N 5.486 125.490 119.950 0.089 0.000 2.471 286 F HA 0.265 4.793 4.527 0.001 0.000 0.353 286 F C 1.065 176.709 175.800 -0.260 0.000 1.113 286 F CA -0.377 57.526 58.000 -0.161 0.000 1.262 286 F CB 0.327 38.967 39.000 -0.601 0.000 1.146 286 F HN 0.261 nan 8.300 nan 0.000 0.578 287 K N 1.151 121.515 120.400 -0.060 0.000 2.118 287 K HA 0.321 4.642 4.320 0.001 0.000 0.264 287 K C 0.239 176.732 176.600 -0.178 0.000 1.000 287 K CA -0.530 55.715 56.287 -0.070 0.000 0.929 287 K CB 0.906 33.404 32.500 -0.004 0.000 1.021 287 K HN 0.750 nan 8.250 nan 0.000 0.463 288 T N -1.527 113.030 114.554 0.005 0.000 2.816 288 T HA 0.180 4.530 4.350 0.001 0.000 0.282 288 T C 1.782 176.559 174.700 0.129 0.000 0.993 288 T CA -0.747 61.441 62.100 0.146 0.000 0.994 288 T CB 0.489 69.442 68.868 0.142 0.000 1.025 288 T HN 0.444 nan 8.240 nan 0.000 0.529 289 L N 0.158 121.491 121.223 0.184 0.000 1.990 289 L HA -0.150 4.191 4.340 0.001 0.000 0.213 289 L C 3.051 179.969 176.870 0.079 0.000 1.072 289 L CA 2.377 57.289 54.840 0.120 0.000 0.755 289 L CB -0.730 41.394 42.059 0.108 0.000 0.889 289 L HN 0.952 nan 8.230 nan 0.000 0.432 290 E N 0.513 120.761 120.200 0.080 0.000 2.118 290 E HA -0.265 4.086 4.350 0.001 0.000 0.195 290 E C 1.841 178.472 176.600 0.052 0.000 0.992 290 E CA 1.616 58.053 56.400 0.062 0.000 0.804 290 E CB 0.025 29.763 29.700 0.064 0.000 0.741 290 E HN 0.526 nan 8.360 nan 0.000 0.458 291 E N -0.205 120.027 120.200 0.053 0.000 2.347 291 E HA -0.136 4.215 4.350 0.001 0.000 0.196 291 E C 1.815 178.437 176.600 0.037 0.000 1.008 291 E CA 0.657 57.082 56.400 0.042 0.000 0.852 291 E CB 0.101 29.824 29.700 0.038 0.000 0.783 291 E HN 0.421 nan 8.360 nan 0.000 0.505 292 Q N -0.518 119.305 119.800 0.039 0.000 2.356 292 Q HA 0.110 4.451 4.340 0.001 0.000 0.205 292 Q C 0.759 176.778 176.000 0.032 0.000 0.901 292 Q CA 0.321 56.144 55.803 0.033 0.000 0.938 292 Q CB 1.000 29.756 28.738 0.030 0.000 1.081 292 Q HN 0.322 nan 8.270 nan 0.000 0.517 293 G N 1.110 109.931 108.800 0.036 0.000 2.221 293 G HA2 -0.239 3.722 3.960 0.001 0.000 0.265 293 G HA3 -0.239 3.722 3.960 0.001 0.000 0.265 293 G C -0.389 174.530 174.900 0.033 0.000 1.041 293 G CA 0.025 45.145 45.100 0.033 0.000 0.807 293 G HN 0.094 nan 8.290 nan 0.000 0.502 294 L N 0.000 121.246 121.223 0.039 0.000 2.949 294 L HA 0.000 4.341 4.340 0.001 0.000 0.249 294 L CA 0.000 54.863 54.840 0.038 0.000 0.813 294 L CB 0.000 42.084 42.059 0.042 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502