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 2w0u_1_A DATA FIRST_RESID 5 DATA SEQUENCE LICINDYEQH AKSVLPKSIY DYYRSGANDE ETLADNIAAF SRWKLYPRML DATA SEQUENCE RNVAETDLST SVLGQRVSMP ICVGATAMQR MAHVDGELAT VRACQSLGTG DATA SEQUENCE MMLSSWATSS IEEVAEAGPE ALRWLQLYIY KDREVTKKLV RQAEKMGYKA DATA SEQUENCE IFVTVDTPYL GNRLDDVRNR FKLPXXXXXX XXXXXXXXXX XXXXXXXXXG DATA SEQUENCE LAAYVAKAID PSISWEDIKW LRRLTSLPIV AKGILRGDDA REAVKHGLNG DATA SEQUENCE ILVSNHGARQ LDGVPATIDV LPEIVEAVEG KVEVFLDGGV RKGTDVLKAL DATA SEQUENCE ALGAKAVFVG RPIVWGLAFQ GEKGVQDVLE ILKEEFRLAM ALSGCQNVKV DATA SEQUENCE IDKTLVRKN 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.792 176.870 -0.131 0.000 1.165 5 L CA 0.000 54.620 54.840 -0.367 0.000 0.813 5 L CB 0.000 41.468 42.059 -0.985 0.000 0.961 6 I N 1.164 121.677 120.570 -0.095 0.000 2.556 6 I HA 0.183 4.352 4.170 -0.001 0.000 0.251 6 I C 0.612 176.752 176.117 0.038 0.000 1.105 6 I CA 0.952 62.244 61.300 -0.014 0.000 1.436 6 I CB 0.442 38.430 38.000 -0.020 0.000 1.139 6 I HN 0.733 nan 8.210 nan 0.000 0.438 7 C N -1.853 117.477 119.300 0.049 0.000 3.044 7 C HA 0.520 4.980 4.460 -0.001 0.000 0.315 7 C C 1.693 176.790 174.990 0.178 0.000 1.320 7 C CA -1.074 57.996 59.018 0.087 0.000 1.582 7 C CB 0.398 28.166 27.740 0.047 0.000 2.039 7 C HN 0.341 nan 8.230 nan 0.000 0.466 8 I N 1.808 122.467 120.570 0.147 0.000 2.264 8 I HA -0.158 4.012 4.170 -0.001 0.000 0.248 8 I C 2.175 178.421 176.117 0.215 0.000 1.111 8 I CA 1.590 63.001 61.300 0.185 0.000 1.382 8 I CB -0.535 37.515 38.000 0.084 0.000 1.060 8 I HN 0.699 nan 8.210 nan 0.000 0.418 9 N N 0.440 119.214 118.700 0.124 0.000 2.289 9 N HA -0.168 4.571 4.740 -0.001 0.000 0.184 9 N C 1.404 176.932 175.510 0.031 0.000 1.016 9 N CA 1.083 54.179 53.050 0.076 0.000 0.872 9 N CB -0.394 38.123 38.487 0.050 0.000 0.973 9 N HN 0.395 nan 8.380 nan 0.000 0.433 10 D N -0.375 120.037 120.400 0.020 0.000 2.178 10 D HA -0.097 4.542 4.640 -0.001 0.000 0.202 10 D C 1.628 177.849 176.300 -0.132 0.000 0.974 10 D CA 0.718 54.675 54.000 -0.072 0.000 0.841 10 D CB -0.217 40.481 40.800 -0.170 0.000 0.953 10 D HN 0.354 nan 8.370 nan 0.000 0.478 11 Y N 1.390 121.621 120.300 -0.115 0.000 2.224 11 Y HA -0.122 4.428 4.550 -0.001 0.000 0.289 11 Y C 2.504 178.346 175.900 -0.097 0.000 1.146 11 Y CA 1.123 59.159 58.100 -0.105 0.000 1.182 11 Y CB -0.057 38.401 38.460 -0.004 0.000 0.983 11 Y HN 0.003 nan 8.280 nan 0.000 0.524 12 E N 0.218 120.337 120.200 -0.135 0.000 2.072 12 E HA -0.277 4.073 4.350 -0.001 0.000 0.191 12 E C 1.951 178.283 176.600 -0.446 0.000 0.985 12 E CA 1.348 57.316 56.400 -0.721 0.000 0.801 12 E CB -0.041 29.243 29.700 -0.693 0.000 0.750 12 E HN 0.545 nan 8.360 nan 0.000 0.452 13 Q N -0.882 118.779 119.800 -0.231 0.000 2.119 13 Q HA -0.170 4.169 4.340 -0.001 0.000 0.201 13 Q C 1.924 177.804 176.000 -0.201 0.000 0.972 13 Q CA 1.561 57.236 55.803 -0.214 0.000 0.847 13 Q CB -0.065 28.588 28.738 -0.143 0.000 0.903 13 Q HN 0.402 nan 8.270 nan 0.000 0.433 14 H N -0.667 118.302 119.070 -0.167 0.000 2.389 14 H HA -0.019 4.536 4.556 -0.001 0.000 0.299 14 H C 1.819 177.162 175.328 0.025 0.000 1.081 14 H CA 1.390 57.410 56.048 -0.048 0.000 1.345 14 H CB -0.008 29.730 29.762 -0.040 0.000 1.393 14 H HN 0.321 nan 8.280 nan 0.000 0.520 15 A N 0.604 123.488 122.820 0.106 0.000 1.969 15 A HA -0.169 4.151 4.320 -0.001 0.000 0.218 15 A C 2.152 179.712 177.584 -0.039 0.000 1.169 15 A CA 1.481 53.610 52.037 0.153 0.000 0.635 15 A CB -0.360 18.813 19.000 0.289 0.000 0.810 15 A HN 0.350 nan 8.150 nan 0.000 0.445 16 K N -0.065 120.105 120.400 -0.383 0.000 2.103 16 K HA -0.125 4.194 4.320 -0.001 0.000 0.207 16 K C 2.218 178.616 176.600 -0.336 0.000 1.048 16 K CA 1.606 57.450 56.287 -0.738 0.000 0.930 16 K CB -0.135 31.831 32.500 -0.891 0.000 0.716 16 K HN 0.467 nan 8.250 nan 0.000 0.444 17 S N 0.178 115.756 115.700 -0.202 0.000 2.338 17 S HA -0.107 4.362 4.470 -0.001 0.000 0.218 17 S C 1.894 176.478 174.600 -0.027 0.000 1.032 17 S CA 1.390 59.521 58.200 -0.115 0.000 0.999 17 S CB -0.141 62.984 63.200 -0.126 0.000 0.905 17 S HN 0.119 nan 8.310 nan 0.000 0.439 18 V N 1.734 121.672 119.914 0.040 0.000 2.626 18 V HA 0.024 4.144 4.120 -0.001 0.000 0.252 18 V C 0.796 176.963 176.094 0.122 0.000 1.067 18 V CA 0.995 63.352 62.300 0.094 0.000 1.081 18 V CB -0.792 31.124 31.823 0.154 0.000 0.686 18 V HN 0.294 nan 8.190 nan 0.000 0.468 19 L N 1.710 123.020 121.223 0.145 0.000 2.309 19 L HA 0.413 4.752 4.340 -0.001 0.000 0.282 19 L C -2.162 174.809 176.870 0.168 0.000 1.036 19 L CA -2.004 52.965 54.840 0.214 0.000 0.806 19 L CB 1.170 43.454 42.059 0.376 0.000 1.220 19 L HN 0.027 nan 8.230 nan 0.000 0.429 20 P HA -0.056 nan 4.420 nan 0.000 0.262 20 P C 0.268 177.692 177.300 0.206 0.000 1.182 20 P CA 0.011 63.202 63.100 0.152 0.000 0.761 20 P CB 0.748 32.533 31.700 0.142 0.000 0.795 21 K N 2.327 122.826 120.400 0.166 0.000 2.077 21 K HA -0.239 4.080 4.320 -0.001 0.000 0.213 21 K C 2.013 178.756 176.600 0.238 0.000 1.051 21 K CA 2.191 58.601 56.287 0.205 0.000 0.929 21 K CB -0.404 32.179 32.500 0.137 0.000 0.715 21 K HN 0.338 nan 8.250 nan 0.000 0.451 22 S N 0.286 116.110 115.700 0.207 0.000 2.374 22 S HA -0.145 4.325 4.470 -0.001 0.000 0.227 22 S C 1.874 176.644 174.600 0.282 0.000 1.037 22 S CA 1.520 59.863 58.200 0.238 0.000 1.024 22 S CB -0.111 63.242 63.200 0.255 0.000 0.861 22 S HN 0.343 nan 8.310 nan 0.000 0.456 23 I N -0.694 120.072 120.570 0.326 0.000 2.585 23 I HA -0.009 4.161 4.170 -0.001 0.000 0.254 23 I C 2.043 178.352 176.117 0.320 0.000 1.129 23 I CA 0.712 62.208 61.300 0.327 0.000 1.455 23 I CB -0.313 37.892 38.000 0.342 0.000 1.111 23 I HN 0.373 nan 8.210 nan 0.000 0.433 24 Y N 1.969 122.451 120.300 0.305 0.000 2.181 24 Y HA -0.314 4.236 4.550 -0.001 0.000 0.288 24 Y C 2.084 178.162 175.900 0.297 0.000 1.146 24 Y CA 1.771 60.103 58.100 0.387 0.000 1.164 24 Y CB -0.313 38.290 38.460 0.239 0.000 0.982 24 Y HN 0.178 nan 8.280 nan 0.000 0.515 25 D N -0.766 119.684 120.400 0.084 0.000 2.144 25 D HA -0.233 4.406 4.640 -0.001 0.000 0.199 25 D C 1.934 178.152 176.300 -0.137 0.000 0.984 25 D CA 1.668 55.629 54.000 -0.066 0.000 0.834 25 D CB -0.749 40.077 40.800 0.042 0.000 0.955 25 D HN 0.565 nan 8.370 nan 0.000 0.465 26 Y N 0.519 120.646 120.300 -0.289 0.000 2.181 26 Y HA -0.300 4.250 4.550 -0.001 0.000 0.288 26 Y C 1.907 177.633 175.900 -0.291 0.000 1.146 26 Y CA 1.518 59.334 58.100 -0.474 0.000 1.164 26 Y CB -0.599 37.290 38.460 -0.952 0.000 0.982 26 Y HN -0.066 nan 8.280 nan 0.000 0.515 27 Y N 0.257 120.310 120.300 -0.411 0.000 2.314 27 Y HA -0.041 4.509 4.550 -0.000 0.000 0.293 27 Y C 2.818 178.533 175.900 -0.308 0.000 1.129 27 Y CA 1.486 59.310 58.100 -0.459 0.000 1.201 27 Y CB -0.560 37.775 38.460 -0.207 0.000 0.999 27 Y HN 0.117 nan 8.280 nan 0.000 0.541 28 R N -0.105 120.366 120.500 -0.048 0.000 2.100 28 R HA 0.018 4.357 4.340 -0.001 0.000 0.220 28 R C 0.888 177.143 176.300 -0.075 0.000 1.091 28 R CA 0.435 56.516 56.100 -0.033 0.000 0.986 28 R CB -0.217 29.865 30.300 -0.364 0.000 0.888 28 R HN 0.112 nan 8.270 nan 0.000 0.444 29 S N -0.187 115.430 115.700 -0.138 0.000 2.558 29 S HA 0.185 4.654 4.470 -0.001 0.000 0.287 29 S C 0.255 174.813 174.600 -0.069 0.000 1.321 29 S CA 0.214 58.355 58.200 -0.098 0.000 1.048 29 S CB 1.168 64.299 63.200 -0.116 0.000 0.844 29 S HN 0.486 nan 8.310 nan 0.000 0.512 30 G N 0.447 109.226 108.800 -0.034 0.000 2.795 30 G HA2 0.703 4.663 3.960 -0.001 0.000 0.267 30 G HA3 0.703 4.663 3.960 -0.001 0.000 0.267 30 G C -0.733 174.152 174.900 -0.024 0.000 1.362 30 G CA -0.388 44.701 45.100 -0.019 0.000 1.048 30 G HN 0.934 nan 8.290 nan 0.000 0.547 31 A N -1.008 121.803 122.820 -0.015 0.000 2.304 31 A HA 0.605 4.924 4.320 -0.001 0.000 0.301 31 A C 0.861 178.438 177.584 -0.011 0.000 1.132 31 A CA 0.327 52.352 52.037 -0.019 0.000 0.819 31 A CB -0.035 18.953 19.000 -0.020 0.000 1.094 31 A HN 0.960 nan 8.150 nan 0.000 0.492 32 N N 0.628 119.321 118.700 -0.013 0.000 1.154 32 N HA -0.268 4.471 4.740 -0.001 0.000 0.135 32 N C 0.130 175.639 175.510 -0.002 0.000 0.562 32 N CA 2.185 55.230 53.050 -0.008 0.000 0.947 32 N CB -0.668 37.815 38.487 -0.007 0.000 1.354 32 N HN 0.746 nan 8.380 nan 0.000 0.505 33 D N 1.755 122.156 120.400 0.002 0.000 2.349 33 D HA 0.038 4.678 4.640 -0.001 0.000 0.224 33 D C -0.147 176.159 176.300 0.010 0.000 1.029 33 D CA 0.660 54.664 54.000 0.006 0.000 0.879 33 D CB -0.261 40.543 40.800 0.007 0.000 0.906 33 D HN 0.503 nan 8.370 nan 0.000 0.528 34 E N -0.535 119.670 120.200 0.010 0.000 2.637 34 E HA -0.261 4.088 4.350 -0.001 0.000 0.265 34 E C 0.664 177.278 176.600 0.022 0.000 1.073 34 E CA 0.330 56.739 56.400 0.015 0.000 0.778 34 E CB -1.265 28.445 29.700 0.017 0.000 1.362 34 E HN 0.419 nan 8.360 nan 0.000 0.413 35 E N -0.353 119.858 120.200 0.019 0.000 2.047 35 E HA -0.141 4.209 4.350 -0.001 0.000 0.191 35 E C 1.883 178.500 176.600 0.027 0.000 0.987 35 E CA 1.752 58.165 56.400 0.022 0.000 0.799 35 E CB 0.044 29.754 29.700 0.017 0.000 0.752 35 E HN 0.286 nan 8.360 nan 0.000 0.449 36 T N 1.265 115.836 114.554 0.028 0.000 2.904 36 T HA -0.092 4.258 4.350 -0.001 0.000 0.267 36 T C 1.775 176.502 174.700 0.045 0.000 1.059 36 T CA 0.409 62.530 62.100 0.034 0.000 1.137 36 T CB -0.132 68.756 68.868 0.033 0.000 0.879 36 T HN 0.011 nan 8.240 nan 0.000 0.467 37 L N 1.599 122.848 121.223 0.043 0.000 2.012 37 L HA -0.038 4.302 4.340 -0.001 0.000 0.210 37 L C 2.602 179.512 176.870 0.066 0.000 1.073 37 L CA 1.909 56.781 54.840 0.053 0.000 0.748 37 L CB -0.882 41.203 42.059 0.043 0.000 0.891 37 L HN 0.240 nan 8.230 nan 0.000 0.431 38 A N -1.365 121.489 122.820 0.057 0.000 1.930 38 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 38 A C 2.104 179.729 177.584 0.070 0.000 1.175 38 A CA 1.702 53.776 52.037 0.063 0.000 0.627 38 A CB -0.774 18.255 19.000 0.049 0.000 0.815 38 A HN 0.512 nan 8.150 nan 0.000 0.443 39 D N -0.267 120.167 120.400 0.057 0.000 2.224 39 D HA -0.096 4.544 4.640 -0.001 0.000 0.205 39 D C 1.606 177.943 176.300 0.063 0.000 0.965 39 D CA 0.794 54.825 54.000 0.052 0.000 0.852 39 D CB -0.224 40.597 40.800 0.034 0.000 0.947 39 D HN 0.294 nan 8.370 nan 0.000 0.494 40 N N 0.172 118.919 118.700 0.078 0.000 2.094 40 N HA -0.131 4.609 4.740 -0.001 0.000 0.191 40 N C 1.701 177.332 175.510 0.202 0.000 1.023 40 N CA 0.731 53.844 53.050 0.106 0.000 0.857 40 N CB -0.097 38.464 38.487 0.125 0.000 1.013 40 N HN 0.292 nan 8.380 nan 0.000 0.426 41 I N 0.471 121.162 120.570 0.203 0.000 2.206 41 I HA -0.060 4.110 4.170 -0.001 0.000 0.239 41 I C 2.263 178.529 176.117 0.249 0.000 1.078 41 I CA 0.771 62.225 61.300 0.257 0.000 1.367 41 I CB -1.561 36.540 38.000 0.169 0.000 1.078 41 I HN 0.006 nan 8.210 nan 0.000 0.413 42 A N 1.213 124.126 122.820 0.153 0.000 1.940 42 A HA -0.167 4.153 4.320 -0.001 0.000 0.219 42 A C 2.543 180.200 177.584 0.122 0.000 1.176 42 A CA 2.176 54.286 52.037 0.120 0.000 0.631 42 A CB -0.825 18.220 19.000 0.074 0.000 0.814 42 A HN 0.448 nan 8.150 nan 0.000 0.446 43 A N -1.321 121.552 122.820 0.090 0.000 1.972 43 A HA -0.049 4.270 4.320 -0.001 0.000 0.219 43 A C 1.961 179.640 177.584 0.159 0.000 1.169 43 A CA 1.413 53.481 52.037 0.053 0.000 0.635 43 A CB -0.774 18.216 19.000 -0.016 0.000 0.810 43 A HN 0.518 nan 8.150 nan 0.000 0.446 44 F N 0.365 120.451 119.950 0.226 0.000 2.216 44 F HA -0.155 4.372 4.527 -0.001 0.000 0.300 44 F C 2.751 178.686 175.800 0.224 0.000 1.085 44 F CA 1.446 59.597 58.000 0.251 0.000 1.326 44 F CB -0.078 39.011 39.000 0.150 0.000 1.027 44 F HN 0.149 nan 8.300 nan 0.000 0.497 45 S N -0.366 115.524 115.700 0.316 0.000 2.423 45 S HA -0.121 4.348 4.470 -0.001 0.000 0.231 45 S C 1.846 176.531 174.600 0.141 0.000 1.014 45 S CA 0.813 59.131 58.200 0.197 0.000 0.965 45 S CB -0.227 63.052 63.200 0.132 0.000 0.785 45 S HN 0.338 nan 8.310 nan 0.000 0.495 46 R N -0.695 119.861 120.500 0.093 0.000 2.276 46 R HA 0.020 4.360 4.340 -0.001 0.000 0.203 46 R C -0.455 175.781 176.300 -0.107 0.000 1.017 46 R CA 0.302 56.371 56.100 -0.052 0.000 1.010 46 R CB 0.043 30.244 30.300 -0.165 0.000 0.900 46 R HN 0.371 nan 8.270 nan 0.000 0.469 47 W N 2.535 123.887 121.300 0.086 0.000 2.342 47 W HA 0.218 4.878 4.660 -0.001 0.000 0.310 47 W C 0.148 176.745 176.519 0.130 0.000 1.128 47 W CA -0.621 56.789 57.345 0.108 0.000 1.322 47 W CB 0.723 30.252 29.460 0.113 0.000 1.251 47 W HN -0.370 nan 8.180 nan 0.000 0.439 48 K N 3.923 124.526 120.400 0.339 0.000 2.098 48 K HA 0.511 4.831 4.320 -0.001 0.000 0.261 48 K C -0.541 176.233 176.600 0.291 0.000 0.987 48 K CA -0.922 55.502 56.287 0.227 0.000 0.916 48 K CB 1.510 34.080 32.500 0.117 0.000 1.039 48 K HN 0.431 nan 8.250 nan 0.000 0.455 49 L N 2.268 123.555 121.223 0.107 0.000 2.309 49 L HA 0.341 4.681 4.340 -0.001 0.000 0.282 49 L C -0.597 176.254 176.870 -0.032 0.000 1.036 49 L CA -0.688 54.234 54.840 0.137 0.000 0.806 49 L CB 0.588 42.699 42.059 0.087 0.000 1.220 49 L HN 0.494 nan 8.230 nan 0.000 0.429 50 Y N 3.317 123.656 120.300 0.065 0.000 2.837 50 Y HA 0.280 4.829 4.550 -0.001 0.000 0.356 50 Y C -1.923 173.997 175.900 0.033 0.000 1.035 50 Y CA -2.245 55.883 58.100 0.047 0.000 1.165 50 Y CB 0.460 38.950 38.460 0.050 0.000 1.147 50 Y HN 0.395 nan 8.280 nan 0.000 0.628 51 P HA 0.180 nan 4.420 nan 0.000 0.275 51 P C -0.394 176.941 177.300 0.059 0.000 1.227 51 P CA -0.303 62.834 63.100 0.062 0.000 0.781 51 P CB 1.150 32.863 31.700 0.021 0.000 0.906 52 R N 2.202 122.729 120.500 0.045 0.000 2.410 52 R HA 0.460 4.800 4.340 -0.001 0.000 0.288 52 R C 0.370 176.680 176.300 0.018 0.000 1.051 52 R CA -0.641 55.480 56.100 0.034 0.000 1.021 52 R CB 0.597 30.914 30.300 0.027 0.000 1.032 52 R HN 0.454 nan 8.270 nan 0.000 0.481 53 M N 2.856 122.465 119.600 0.016 0.000 2.528 53 M HA 0.273 4.753 4.480 -0.001 0.000 0.318 53 M C 0.352 176.655 176.300 0.005 0.000 1.195 53 M CA -0.793 54.511 55.300 0.008 0.000 1.000 53 M CB 0.797 33.403 32.600 0.008 0.000 1.615 53 M HN 0.582 nan 8.290 nan 0.000 0.469 54 L N 0.861 122.084 121.223 0.000 0.000 3.601 54 L HA -0.257 4.083 4.340 -0.001 0.000 0.469 54 L C -0.263 176.606 176.870 -0.001 0.000 1.294 54 L CA 0.378 55.218 54.840 -0.001 0.000 0.829 54 L CB -1.603 40.457 42.059 0.001 0.000 1.628 54 L HN 0.684 nan 8.230 nan 0.000 0.868 55 R N 0.470 120.967 120.500 -0.004 0.000 2.589 55 R HA 0.365 4.704 4.340 -0.001 0.000 0.293 55 R C 0.274 176.568 176.300 -0.009 0.000 0.963 55 R CA -1.080 55.017 56.100 -0.005 0.000 0.905 55 R CB 1.292 31.588 30.300 -0.006 0.000 1.144 55 R HN 0.054 nan 8.270 nan 0.000 0.459 56 N N 2.327 121.021 118.700 -0.009 0.000 2.429 56 N HA -0.034 4.705 4.740 -0.001 0.000 0.271 56 N C 0.219 175.719 175.510 -0.016 0.000 1.272 56 N CA 0.190 53.234 53.050 -0.011 0.000 0.921 56 N CB 0.690 39.172 38.487 -0.008 0.000 1.128 56 N HN 0.483 nan 8.380 nan 0.000 0.481 57 V N 1.748 121.650 119.914 -0.020 0.000 2.854 57 V HA 0.485 4.604 4.120 -0.001 0.000 0.366 57 V C 1.298 177.376 176.094 -0.026 0.000 1.322 57 V CA -0.017 62.266 62.300 -0.028 0.000 1.243 57 V CB -0.147 31.654 31.823 -0.037 0.000 1.337 57 V HN 0.494 nan 8.190 nan 0.000 0.585 58 A N 0.362 123.170 122.820 -0.020 0.000 1.897 58 A HA 0.115 4.434 4.320 -0.001 0.000 0.215 58 A C 1.348 178.922 177.584 -0.018 0.000 1.181 58 A CA 1.217 53.244 52.037 -0.017 0.000 0.620 58 A CB -0.090 18.903 19.000 -0.012 0.000 0.821 58 A HN 0.521 nan 8.150 nan 0.000 0.443 59 E N 1.244 121.433 120.200 -0.017 0.000 3.170 59 E HA 0.196 4.546 4.350 -0.001 0.000 0.212 59 E C -0.986 175.603 176.600 -0.019 0.000 1.143 59 E CA -0.182 56.209 56.400 -0.015 0.000 1.139 59 E CB 0.027 29.721 29.700 -0.009 0.000 1.346 59 E HN 0.244 nan 8.360 nan 0.000 0.432 60 T N 1.738 116.275 114.554 -0.028 0.000 2.793 60 T HA -0.000 4.349 4.350 -0.001 0.000 0.289 60 T C 0.040 174.724 174.700 -0.026 0.000 0.956 60 T CA 0.268 62.343 62.100 -0.041 0.000 1.177 60 T CB 0.287 69.114 68.868 -0.069 0.000 0.897 60 T HN 0.096 nan 8.240 nan 0.000 0.533 61 D N 2.989 123.379 120.400 -0.015 0.000 2.303 61 D HA 0.284 4.924 4.640 -0.001 0.000 0.236 61 D C 0.236 176.556 176.300 0.032 0.000 1.068 61 D CA -0.752 53.253 54.000 0.008 0.000 0.830 61 D CB 1.042 41.849 40.800 0.011 0.000 1.109 61 D HN 0.156 nan 8.370 nan 0.000 0.496 62 L N 2.391 123.651 121.223 0.062 0.000 2.607 62 L HA 0.179 4.519 4.340 -0.001 0.000 0.228 62 L C 0.806 177.752 176.870 0.126 0.000 1.123 62 L CA 0.089 55.016 54.840 0.145 0.000 0.890 62 L CB -0.459 41.716 42.059 0.194 0.000 1.103 62 L HN 0.391 nan 8.230 nan 0.000 0.468 63 S N -1.911 113.832 115.700 0.073 0.000 2.564 63 S HA 0.480 4.950 4.470 -0.001 0.000 0.278 63 S C 0.280 174.915 174.600 0.059 0.000 1.333 63 S CA -0.238 57.995 58.200 0.054 0.000 1.048 63 S CB 1.741 64.963 63.200 0.036 0.000 0.900 63 S HN 0.205 nan 8.310 nan 0.000 0.505 64 T N 0.363 114.948 114.554 0.052 0.000 2.598 64 T HA 0.711 5.060 4.350 -0.001 0.000 0.289 64 T C -1.387 173.350 174.700 0.061 0.000 1.056 64 T CA -0.139 61.994 62.100 0.056 0.000 1.088 64 T CB 0.906 69.809 68.868 0.059 0.000 1.519 64 T HN 1.321 nan 8.240 nan 0.000 0.488 65 S N 0.216 115.962 115.700 0.077 0.000 2.549 65 S HA 0.747 5.217 4.470 -0.001 0.000 0.280 65 S C -1.519 173.169 174.600 0.146 0.000 1.109 65 S CA -0.651 57.610 58.200 0.101 0.000 0.905 65 S CB 1.584 64.835 63.200 0.086 0.000 1.081 65 S HN 0.588 nan 8.310 nan 0.000 0.477 66 V N 3.763 123.790 119.914 0.189 0.000 2.350 66 V HA 0.447 4.567 4.120 -0.001 0.000 0.285 66 V C 0.062 176.297 176.094 0.235 0.000 1.014 66 V CA -0.831 61.609 62.300 0.233 0.000 0.831 66 V CB 0.397 32.328 31.823 0.181 0.000 1.000 66 V HN 1.020 nan 8.190 nan 0.000 0.433 67 L N 5.293 126.653 121.223 0.229 0.000 3.660 67 L HA -0.259 4.080 4.340 -0.001 0.000 0.440 67 L C 1.426 178.380 176.870 0.140 0.000 1.262 67 L CA 0.725 55.666 54.840 0.169 0.000 0.837 67 L CB -1.659 40.475 42.059 0.126 0.000 1.689 67 L HN 1.109 nan 8.230 nan 0.000 0.890 68 G N -2.088 106.784 108.800 0.121 0.000 2.225 68 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.254 68 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.254 68 G C 0.244 175.201 174.900 0.095 0.000 0.988 68 G CA 0.405 45.560 45.100 0.092 0.000 0.625 68 G HN 0.440 nan 8.290 nan 0.000 0.527 69 Q N 0.363 120.243 119.800 0.132 0.000 2.290 69 Q HA 0.576 4.915 4.340 -0.001 0.000 0.259 69 Q C 0.349 176.411 176.000 0.104 0.000 0.941 69 Q CA -0.830 55.042 55.803 0.115 0.000 0.912 69 Q CB 1.870 30.696 28.738 0.147 0.000 1.244 69 Q HN 0.353 nan 8.270 nan 0.000 0.441 70 R N 1.181 121.718 120.500 0.062 0.000 2.623 70 R HA 0.242 4.581 4.340 -0.001 0.000 0.271 70 R C -0.450 175.875 176.300 0.042 0.000 1.043 70 R CA 0.169 56.298 56.100 0.048 0.000 1.083 70 R CB 0.318 30.634 30.300 0.027 0.000 0.974 70 R HN 0.498 nan 8.270 nan 0.000 0.436 71 V N 0.526 120.465 119.914 0.042 0.000 3.078 71 V HA 0.431 4.551 4.120 -0.001 0.000 0.311 71 V C 0.591 176.693 176.094 0.014 0.000 1.138 71 V CA -0.183 62.131 62.300 0.024 0.000 1.007 71 V CB 1.985 33.835 31.823 0.044 0.000 1.045 71 V HN 0.845 nan 8.190 nan 0.000 0.432 72 S N 1.384 117.083 115.700 -0.002 0.000 2.496 72 S HA 0.265 4.734 4.470 -0.001 0.000 0.224 72 S C 0.468 175.079 174.600 0.019 0.000 0.996 72 S CA 0.848 59.051 58.200 0.005 0.000 0.927 72 S CB -0.500 62.697 63.200 -0.007 0.000 0.774 72 S HN 1.220 nan 8.310 nan 0.000 0.524 73 M N -2.181 117.418 119.600 -0.002 0.000 2.643 73 M HA 0.476 4.956 4.480 -0.001 0.000 0.276 73 M C -3.288 172.955 176.300 -0.096 0.000 1.200 73 M CA -1.737 53.554 55.300 -0.015 0.000 0.863 73 M CB 1.296 33.884 32.600 -0.021 0.000 1.711 73 M HN -0.321 nan 8.290 nan 0.000 0.492 74 P HA 0.349 nan 4.420 nan 0.000 0.258 74 P C -0.965 176.131 177.300 -0.341 0.000 1.559 74 P CA 0.491 63.449 63.100 -0.237 0.000 0.855 74 P CB -0.629 30.920 31.700 -0.252 0.000 1.594 75 I N -0.242 120.147 120.570 -0.300 0.000 2.439 75 I HA 0.292 4.461 4.170 -0.001 0.000 0.283 75 I C -0.221 175.751 176.117 -0.242 0.000 1.023 75 I CA -0.530 60.591 61.300 -0.298 0.000 1.100 75 I CB 1.408 39.255 38.000 -0.255 0.000 1.238 75 I HN -0.053 nan 8.210 nan 0.000 0.445 76 C N 4.585 123.685 119.300 -0.334 0.000 2.719 76 C HA 0.612 5.071 4.460 -0.001 0.000 0.327 76 C C 0.269 175.241 174.990 -0.030 0.000 1.238 76 C CA -0.886 58.020 59.018 -0.187 0.000 1.727 76 C CB 2.080 29.660 27.740 -0.267 0.000 2.256 76 C HN 0.424 nan 8.230 nan 0.000 0.489 77 V N 2.406 122.394 119.914 0.123 0.000 2.432 77 V HA 0.516 4.635 4.120 -0.001 0.000 0.271 77 V C 0.980 177.212 176.094 0.230 0.000 1.046 77 V CA 0.420 62.789 62.300 0.116 0.000 0.945 77 V CB 0.788 32.629 31.823 0.029 0.000 0.992 77 V HN 1.096 nan 8.190 nan 0.000 0.471 78 G N 3.404 112.285 108.800 0.134 0.000 2.537 78 G HA2 0.535 4.495 3.960 -0.001 0.000 0.273 78 G HA3 0.535 4.495 3.960 -0.001 0.000 0.273 78 G C 0.061 174.898 174.900 -0.106 0.000 1.189 78 G CA -0.184 44.891 45.100 -0.041 0.000 0.881 78 G HN 1.083 nan 8.290 nan 0.000 0.535 79 A N 0.663 123.361 122.820 -0.202 0.000 2.396 79 A HA 0.581 4.901 4.320 -0.001 0.000 0.279 79 A C 0.731 178.267 177.584 -0.079 0.000 1.165 79 A CA 0.325 52.286 52.037 -0.126 0.000 0.824 79 A CB -0.283 18.615 19.000 -0.170 0.000 1.100 79 A HN 1.339 nan 8.150 nan 0.000 0.516 80 T N 0.321 114.868 114.554 -0.012 0.000 2.881 80 T HA 0.708 5.057 4.350 -0.001 0.000 0.290 80 T C -0.106 174.684 174.700 0.150 0.000 1.000 80 T CA -0.038 62.089 62.100 0.046 0.000 0.978 80 T CB 1.421 70.282 68.868 -0.012 0.000 0.997 80 T HN 1.402 nan 8.240 nan 0.000 0.443 81 A N 4.916 127.882 122.820 0.244 0.000 2.386 81 A HA 0.610 4.929 4.320 -0.001 0.000 0.248 81 A C 1.107 178.895 177.584 0.340 0.000 1.082 81 A CA -0.609 51.612 52.037 0.307 0.000 0.789 81 A CB -0.624 18.589 19.000 0.355 0.000 1.025 81 A HN 1.339 nan 8.150 nan 0.000 0.490 82 M N 0.339 120.105 119.600 0.276 0.000 2.399 82 M HA -0.214 4.265 4.480 -0.001 0.000 0.191 82 M C 0.536 177.028 176.300 0.321 0.000 0.732 82 M CA 0.676 56.123 55.300 0.245 0.000 0.512 82 M CB -1.843 30.854 32.600 0.163 0.000 1.191 82 M HN 0.935 nan 8.290 nan 0.000 0.894 83 Q N -0.071 119.878 119.800 0.249 0.000 2.378 83 Q HA 0.006 4.346 4.340 -0.001 0.000 0.205 83 Q C 1.811 177.945 176.000 0.222 0.000 0.954 83 Q CA 0.842 56.778 55.803 0.221 0.000 0.901 83 Q CB 0.127 28.937 28.738 0.120 0.000 0.981 83 Q HN 0.621 nan 8.270 nan 0.000 0.483 84 R N 0.040 120.655 120.500 0.193 0.000 2.280 84 R HA 0.046 4.386 4.340 -0.001 0.000 0.207 84 R C 1.813 178.219 176.300 0.177 0.000 1.043 84 R CA 0.558 56.755 56.100 0.162 0.000 1.006 84 R CB 0.070 30.435 30.300 0.109 0.000 0.885 84 R HN 0.337 nan 8.270 nan 0.000 0.467 85 M N -0.911 118.834 119.600 0.243 0.000 2.476 85 M HA -0.000 4.479 4.480 -0.001 0.000 0.262 85 M C 2.042 178.556 176.300 0.356 0.000 1.079 85 M CA 1.070 56.527 55.300 0.261 0.000 1.104 85 M CB 0.127 32.887 32.600 0.267 0.000 1.409 85 M HN 0.128 nan 8.290 nan 0.000 0.467 86 A N -1.297 121.757 122.820 0.390 0.000 2.063 86 A HA 0.079 4.398 4.320 -0.001 0.000 0.211 86 A C 0.763 178.541 177.584 0.323 0.000 1.177 86 A CA 0.628 52.884 52.037 0.365 0.000 0.759 86 A CB 0.229 19.355 19.000 0.209 0.000 0.857 86 A HN 0.507 nan 8.150 nan 0.000 0.468 87 H N -1.624 117.535 119.070 0.149 0.000 3.121 87 H HA 0.179 4.735 4.556 -0.001 0.000 0.337 87 H C 0.303 175.681 175.328 0.085 0.000 1.198 87 H CA -0.050 56.062 56.048 0.106 0.000 1.274 87 H CB 1.583 31.399 29.762 0.090 0.000 1.954 87 H HN -0.111 nan 8.280 nan 0.000 0.531 88 V N 2.512 122.261 119.914 -0.276 0.000 2.453 88 V HA -0.222 3.898 4.120 -0.001 0.000 0.252 88 V C 1.594 177.732 176.094 0.073 0.000 1.068 88 V CA 2.224 64.465 62.300 -0.098 0.000 1.070 88 V CB -0.222 31.494 31.823 -0.179 0.000 0.664 88 V HN 0.643 nan 8.190 nan 0.000 0.461 89 D N -0.403 120.164 120.400 0.278 0.000 2.305 89 D HA 0.164 4.804 4.640 -0.001 0.000 0.206 89 D C 1.772 178.175 176.300 0.172 0.000 0.974 89 D CA 1.110 55.252 54.000 0.237 0.000 0.871 89 D CB 0.121 41.085 40.800 0.273 0.000 0.947 89 D HN 0.458 nan 8.370 nan 0.000 0.516 90 G N 1.810 110.732 108.800 0.203 0.000 2.685 90 G HA2 -0.452 3.507 3.960 -0.001 0.000 0.329 90 G HA3 -0.452 3.507 3.960 -0.001 0.000 0.329 90 G C 1.054 176.003 174.900 0.082 0.000 1.271 90 G CA 0.973 46.154 45.100 0.136 0.000 1.003 90 G HN 0.264 nan 8.290 nan 0.000 0.549 91 E N 0.611 120.855 120.200 0.074 0.000 2.209 91 E HA 0.009 4.359 4.350 -0.001 0.000 0.196 91 E C 2.685 179.305 176.600 0.034 0.000 0.993 91 E CA 1.299 57.730 56.400 0.052 0.000 0.819 91 E CB -0.202 29.537 29.700 0.065 0.000 0.745 91 E HN 0.518 nan 8.360 nan 0.000 0.477 92 L N -0.330 120.917 121.223 0.041 0.000 2.109 92 L HA -0.075 4.264 4.340 -0.001 0.000 0.207 92 L C 2.378 179.253 176.870 0.009 0.000 1.086 92 L CA 0.959 55.815 54.840 0.026 0.000 0.760 92 L CB -0.553 41.528 42.059 0.037 0.000 0.910 92 L HN 0.160 nan 8.230 nan 0.000 0.437 93 A N 0.153 122.979 122.820 0.011 0.000 1.873 93 A HA -0.167 4.152 4.320 -0.001 0.000 0.215 93 A C 2.389 179.949 177.584 -0.041 0.000 1.186 93 A CA 2.196 54.217 52.037 -0.026 0.000 0.616 93 A CB -0.924 18.036 19.000 -0.068 0.000 0.823 93 A HN 0.353 nan 8.150 nan 0.000 0.442 94 T N -0.570 113.964 114.554 -0.034 0.000 2.635 94 T HA -0.183 4.166 4.350 -0.001 0.000 0.267 94 T C 1.827 176.497 174.700 -0.050 0.000 1.040 94 T CA 1.746 63.820 62.100 -0.043 0.000 1.156 94 T CB -0.694 68.156 68.868 -0.029 0.000 0.863 94 T HN 0.176 nan 8.240 nan 0.000 0.430 95 V N 1.241 121.129 119.914 -0.043 0.000 2.515 95 V HA -0.116 4.004 4.120 -0.001 0.000 0.250 95 V C 2.524 178.575 176.094 -0.073 0.000 1.058 95 V CA 1.589 63.849 62.300 -0.067 0.000 1.064 95 V CB -0.441 31.345 31.823 -0.062 0.000 0.675 95 V HN 0.378 nan 8.190 nan 0.000 0.461 96 R N -0.301 120.167 120.500 -0.053 0.000 2.090 96 R HA 0.013 4.353 4.340 -0.001 0.000 0.228 96 R C 2.368 178.636 176.300 -0.053 0.000 1.110 96 R CA 1.256 57.326 56.100 -0.050 0.000 0.973 96 R CB -0.470 29.809 30.300 -0.034 0.000 0.869 96 R HN 0.571 nan 8.270 nan 0.000 0.440 97 A N 0.648 123.435 122.820 -0.055 0.000 1.898 97 A HA -0.157 4.163 4.320 -0.001 0.000 0.216 97 A C 2.346 179.891 177.584 -0.065 0.000 1.181 97 A CA 1.253 53.257 52.037 -0.056 0.000 0.620 97 A CB -0.745 18.220 19.000 -0.059 0.000 0.819 97 A HN 0.421 nan 8.150 nan 0.000 0.442 98 C N -1.011 118.243 119.300 -0.077 0.000 2.425 98 C HA -0.128 4.332 4.460 -0.001 0.000 0.277 98 C C 2.808 177.740 174.990 -0.098 0.000 1.280 98 C CA 1.250 60.212 59.018 -0.093 0.000 1.744 98 C CB -1.342 26.327 27.740 -0.117 0.000 1.989 98 C HN 0.748 nan 8.230 nan 0.000 0.491 99 Q N 0.825 120.568 119.800 -0.095 0.000 2.050 99 Q HA -0.172 4.168 4.340 -0.001 0.000 0.202 99 Q C 2.317 178.277 176.000 -0.067 0.000 0.980 99 Q CA 1.880 57.630 55.803 -0.089 0.000 0.840 99 Q CB -0.079 28.609 28.738 -0.083 0.000 0.898 99 Q HN 0.656 nan 8.270 nan 0.000 0.424 100 S N 0.528 116.195 115.700 -0.055 0.000 2.383 100 S HA -0.144 4.326 4.470 -0.001 0.000 0.229 100 S C 1.745 176.320 174.600 -0.040 0.000 1.030 100 S CA 1.055 59.230 58.200 -0.042 0.000 1.002 100 S CB -0.107 63.072 63.200 -0.035 0.000 0.829 100 S HN 0.320 nan 8.310 nan 0.000 0.467 101 L N 0.133 121.327 121.223 -0.048 0.000 2.446 101 L HA 0.239 4.579 4.340 -0.001 0.000 0.219 101 L C 1.544 178.388 176.870 -0.044 0.000 1.116 101 L CA 0.537 55.351 54.840 -0.043 0.000 0.844 101 L CB -0.170 41.860 42.059 -0.048 0.000 0.970 101 L HN 0.488 nan 8.230 nan 0.000 0.457 102 G N -0.068 108.698 108.800 -0.056 0.000 2.149 102 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.235 102 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.235 102 G C 0.296 175.158 174.900 -0.063 0.000 1.018 102 G CA 0.411 45.477 45.100 -0.057 0.000 0.728 102 G HN 0.278 nan 8.290 nan 0.000 0.508 103 T N -1.138 113.367 114.554 -0.081 0.000 2.927 103 T HA 0.764 5.113 4.350 -0.001 0.000 0.286 103 T C 0.865 175.470 174.700 -0.157 0.000 1.040 103 T CA 0.677 62.726 62.100 -0.085 0.000 1.010 103 T CB 1.437 70.263 68.868 -0.070 0.000 1.177 103 T HN 1.214 nan 8.240 nan 0.000 0.546 104 G N 1.155 109.850 108.800 -0.174 0.000 2.437 104 G HA2 0.606 4.565 3.960 -0.001 0.000 0.319 104 G HA3 0.606 4.565 3.960 -0.001 0.000 0.319 104 G C -0.990 173.727 174.900 -0.305 0.000 1.158 104 G CA -0.644 44.122 45.100 -0.557 0.000 0.899 104 G HN 0.772 nan 8.290 nan 0.000 0.502 105 M N 2.042 121.386 119.600 -0.427 0.000 2.326 105 M HA 0.548 5.028 4.480 -0.001 0.000 0.306 105 M C -0.903 175.457 176.300 0.101 0.000 1.054 105 M CA -0.782 54.480 55.300 -0.063 0.000 0.922 105 M CB 2.096 34.642 32.600 -0.090 0.000 1.632 105 M HN 0.505 nan 8.290 nan 0.000 0.436 106 M N 5.594 125.360 119.600 0.276 0.000 2.077 106 M HA 0.294 4.774 4.480 -0.001 0.000 0.348 106 M C -1.430 174.923 176.300 0.089 0.000 1.252 106 M CA -0.905 54.515 55.300 0.200 0.000 1.096 106 M CB 0.812 33.303 32.600 -0.181 0.000 1.568 106 M HN 0.788 nan 8.290 nan 0.000 0.456 107 L N 4.842 126.156 121.223 0.151 0.000 2.367 107 L HA 0.257 4.597 4.340 -0.001 0.000 0.275 107 L C -0.013 176.891 176.870 0.056 0.000 1.129 107 L CA 0.732 55.642 54.840 0.117 0.000 0.839 107 L CB 1.233 43.404 42.059 0.187 0.000 1.133 107 L HN 0.752 nan 8.230 nan 0.000 0.453 108 S N 2.632 118.364 115.700 0.054 0.000 2.617 108 S HA 0.502 4.972 4.470 -0.001 0.000 0.269 108 S C 0.110 174.766 174.600 0.094 0.000 1.292 108 S CA -0.285 57.950 58.200 0.059 0.000 1.010 108 S CB 0.529 63.790 63.200 0.101 0.000 0.944 108 S HN 0.917 nan 8.310 nan 0.000 0.536 109 S N 3.150 118.927 115.700 0.128 0.000 2.593 109 S HA 0.216 4.686 4.470 -0.001 0.000 0.269 109 S C 0.072 174.899 174.600 0.377 0.000 1.334 109 S CA -0.406 57.904 58.200 0.183 0.000 1.015 109 S CB -0.249 63.116 63.200 0.275 0.000 0.912 109 S HN 0.932 nan 8.310 nan 0.000 0.541 110 W N -0.439 120.954 121.300 0.155 0.000 5.538 110 W HA -0.236 4.423 4.660 -0.001 0.000 0.377 110 W C 0.553 177.123 176.519 0.084 0.000 1.406 110 W CA 0.346 57.754 57.345 0.104 0.000 0.940 110 W CB -2.140 27.389 29.460 0.116 0.000 2.536 110 W HN 1.073 nan 8.180 nan 0.000 1.504 111 A N 0.418 123.361 122.820 0.206 0.000 2.445 111 A HA 0.438 4.758 4.320 -0.001 0.000 0.242 111 A C 1.346 179.010 177.584 0.133 0.000 1.075 111 A CA 0.907 53.038 52.037 0.157 0.000 0.777 111 A CB 0.306 19.367 19.000 0.103 0.000 1.013 111 A HN 0.385 nan 8.150 nan 0.000 0.493 112 T N -0.544 114.085 114.554 0.125 0.000 3.324 112 T HA 0.359 4.709 4.350 -0.001 0.000 0.250 112 T C 0.238 174.982 174.700 0.074 0.000 1.059 112 T CA 0.343 62.501 62.100 0.097 0.000 0.951 112 T CB -0.669 68.260 68.868 0.101 0.000 1.030 112 T HN 0.476 nan 8.240 nan 0.000 0.576 113 S N 1.170 116.911 115.700 0.069 0.000 2.541 113 S HA 0.608 5.077 4.470 -0.001 0.000 0.271 113 S C -0.205 174.421 174.600 0.043 0.000 1.133 113 S CA -1.102 57.131 58.200 0.054 0.000 0.876 113 S CB 1.975 65.212 63.200 0.061 0.000 1.105 113 S HN 0.558 nan 8.310 nan 0.000 0.470 114 S N 0.941 116.660 115.700 0.032 0.000 2.593 114 S HA 0.397 4.867 4.470 -0.001 0.000 0.269 114 S C 1.253 175.873 174.600 0.034 0.000 1.334 114 S CA -0.737 57.474 58.200 0.018 0.000 1.015 114 S CB -0.105 63.102 63.200 0.012 0.000 0.912 114 S HN 0.620 nan 8.310 nan 0.000 0.541 115 I N 0.915 121.486 120.570 0.003 0.000 2.264 115 I HA -0.198 3.972 4.170 -0.001 0.000 0.248 115 I C 2.345 178.530 176.117 0.112 0.000 1.111 115 I CA 1.546 62.849 61.300 0.005 0.000 1.382 115 I CB -0.552 37.352 38.000 -0.160 0.000 1.060 115 I HN 0.670 nan 8.210 nan 0.000 0.418 116 E N 0.640 120.878 120.200 0.064 0.000 2.072 116 E HA -0.225 4.125 4.350 -0.001 0.000 0.191 116 E C 2.040 178.680 176.600 0.066 0.000 0.985 116 E CA 0.928 57.370 56.400 0.070 0.000 0.801 116 E CB -0.159 29.563 29.700 0.037 0.000 0.750 116 E HN 0.433 nan 8.360 nan 0.000 0.452 117 E N 0.263 120.496 120.200 0.055 0.000 2.106 117 E HA -0.135 4.214 4.350 -0.001 0.000 0.192 117 E C 1.833 178.462 176.600 0.048 0.000 0.984 117 E CA 0.810 57.236 56.400 0.044 0.000 0.806 117 E CB 0.219 29.942 29.700 0.038 0.000 0.750 117 E HN 0.070 nan 8.360 nan 0.000 0.458 118 V N 1.129 121.090 119.914 0.077 0.000 2.270 118 V HA -0.252 3.868 4.120 -0.001 0.000 0.245 118 V C 2.443 178.555 176.094 0.030 0.000 1.043 118 V CA 1.759 64.104 62.300 0.075 0.000 1.014 118 V CB -0.784 31.128 31.823 0.147 0.000 0.645 118 V HN 0.414 nan 8.190 nan 0.000 0.447 119 A N -0.419 122.442 122.820 0.068 0.000 1.917 119 A HA -0.307 4.013 4.320 -0.001 0.000 0.219 119 A C 2.176 179.739 177.584 -0.036 0.000 1.182 119 A CA 2.290 54.313 52.037 -0.023 0.000 0.633 119 A CB -0.534 18.510 19.000 0.073 0.000 0.819 119 A HN 0.647 nan 8.150 nan 0.000 0.448 120 E N -0.714 119.485 120.200 -0.002 0.000 2.107 120 E HA -0.018 4.332 4.350 -0.001 0.000 0.191 120 E C 2.307 178.896 176.600 -0.018 0.000 0.982 120 E CA 0.747 57.142 56.400 -0.009 0.000 0.809 120 E CB -0.234 29.469 29.700 0.005 0.000 0.756 120 E HN 0.629 nan 8.360 nan 0.000 0.459 121 A N 0.897 123.709 122.820 -0.014 0.000 1.969 121 A HA -0.014 4.305 4.320 -0.001 0.000 0.218 121 A C 1.647 179.208 177.584 -0.038 0.000 1.169 121 A CA 1.426 53.453 52.037 -0.017 0.000 0.635 121 A CB -0.078 18.919 19.000 -0.005 0.000 0.810 121 A HN 0.237 nan 8.150 nan 0.000 0.445 122 G N -0.929 107.833 108.800 -0.062 0.000 4.465 122 G HA2 0.465 4.425 3.960 -0.001 0.000 0.330 122 G HA3 0.465 4.425 3.960 -0.001 0.000 0.330 122 G C -1.621 173.208 174.900 -0.119 0.000 1.475 122 G CA -0.442 44.603 45.100 -0.091 0.000 0.955 122 G HN 0.140 nan 8.290 nan 0.000 0.516 123 P HA -0.084 nan 4.420 nan 0.000 0.217 123 P C 0.909 178.140 177.300 -0.116 0.000 1.150 123 P CA 1.148 64.190 63.100 -0.098 0.000 0.832 123 P CB 0.709 32.371 31.700 -0.063 0.000 0.787 124 E N -0.693 119.445 120.200 -0.105 0.000 2.474 124 E HA 0.250 4.600 4.350 -0.001 0.000 0.195 124 E C 0.716 177.236 176.600 -0.134 0.000 1.039 124 E CA -0.387 55.950 56.400 -0.104 0.000 0.881 124 E CB 0.094 29.749 29.700 -0.075 0.000 0.970 124 E HN 0.167 nan 8.360 nan 0.000 0.486 125 A N 1.271 123.994 122.820 -0.161 0.000 2.407 125 A HA 0.206 4.525 4.320 -0.001 0.000 0.248 125 A C -0.144 177.269 177.584 -0.286 0.000 1.082 125 A CA -0.412 51.504 52.037 -0.202 0.000 0.785 125 A CB 0.235 19.116 19.000 -0.198 0.000 1.020 125 A HN 0.215 nan 8.150 nan 0.000 0.489 126 L N 2.289 123.312 121.223 -0.333 0.000 2.410 126 L HA 0.393 4.733 4.340 -0.001 0.000 0.273 126 L C 0.314 176.736 176.870 -0.747 0.000 1.144 126 L CA 0.872 55.419 54.840 -0.489 0.000 0.863 126 L CB 0.027 41.811 42.059 -0.458 0.000 1.140 126 L HN 0.712 nan 8.230 nan 0.000 0.463 127 R N 5.414 125.449 120.500 -0.775 0.000 2.561 127 R HA 0.536 4.876 4.340 -0.001 0.000 0.297 127 R C -1.434 174.573 176.300 -0.488 0.000 0.969 127 R CA -0.597 55.072 56.100 -0.719 0.000 0.879 127 R CB 1.717 31.492 30.300 -0.874 0.000 1.178 127 R HN 0.593 nan 8.270 nan 0.000 0.445 128 W N 3.113 124.523 121.300 0.183 0.000 2.882 128 W HA 0.455 5.115 4.660 -0.001 0.000 0.345 128 W C -0.833 175.898 176.519 0.353 0.000 1.125 128 W CA -1.031 56.506 57.345 0.321 0.000 1.167 128 W CB 1.276 30.960 29.460 0.372 0.000 1.431 128 W HN 0.237 nan 8.180 nan 0.000 0.543 129 L N 2.283 123.802 121.223 0.494 0.000 2.313 129 L HA 0.334 4.673 4.340 -0.001 0.000 0.283 129 L C 0.043 177.012 176.870 0.166 0.000 1.013 129 L CA -0.334 54.622 54.840 0.194 0.000 0.816 129 L CB 1.446 43.464 42.059 -0.069 0.000 1.236 129 L HN 0.308 nan 8.230 nan 0.000 0.419 130 Q N 5.635 125.469 119.800 0.056 0.000 2.235 130 Q HA 0.533 4.873 4.340 -0.001 0.000 0.250 130 Q C -1.684 174.252 176.000 -0.107 0.000 0.909 130 Q CA -0.483 55.297 55.803 -0.039 0.000 0.910 130 Q CB 1.635 30.288 28.738 -0.142 0.000 1.223 130 Q HN 0.860 nan 8.270 nan 0.000 0.432 131 L N 2.476 123.579 121.223 -0.201 0.000 2.506 131 L HA 0.553 4.893 4.340 -0.001 0.000 0.257 131 L C -1.948 174.668 176.870 -0.424 0.000 0.964 131 L CA -0.796 53.916 54.840 -0.213 0.000 0.836 131 L CB 1.897 43.904 42.059 -0.086 0.000 1.384 131 L HN 0.541 nan 8.230 nan 0.000 0.410 132 Y N 2.532 122.622 120.300 -0.351 0.000 2.457 132 Y HA 0.531 5.081 4.550 -0.000 0.000 0.333 132 Y C 0.158 175.674 175.900 -0.641 0.000 1.119 132 Y CA -0.580 57.202 58.100 -0.529 0.000 1.143 132 Y CB 1.915 39.951 38.460 -0.707 0.000 1.230 132 Y HN 0.407 nan 8.280 nan 0.000 0.469 133 I N 3.757 124.222 120.570 -0.176 0.000 2.329 133 I HA 0.062 4.232 4.170 -0.001 0.000 0.295 133 I C -0.778 175.251 176.117 -0.147 0.000 1.109 133 I CA -0.066 61.188 61.300 -0.077 0.000 1.297 133 I CB -0.439 37.587 38.000 0.043 0.000 1.433 133 I HN 0.445 nan 8.210 nan 0.000 0.509 134 Y N 5.524 125.876 120.300 0.087 0.000 2.300 134 Y HA 0.137 4.687 4.550 -0.001 0.000 0.328 134 Y C 1.523 177.415 175.900 -0.014 0.000 1.270 134 Y CA -0.393 57.725 58.100 0.030 0.000 1.352 134 Y CB 0.504 38.974 38.460 0.016 0.000 1.286 134 Y HN 0.384 nan 8.280 nan 0.000 0.536 135 K N 0.198 120.685 120.400 0.145 0.000 2.001 135 K HA -0.208 4.111 4.320 -0.001 0.000 0.214 135 K C 0.274 176.887 176.600 0.023 0.000 1.050 135 K CA 1.849 58.160 56.287 0.041 0.000 0.934 135 K CB -0.169 32.352 32.500 0.035 0.000 0.718 135 K HN 0.584 nan 8.250 nan 0.000 0.443 136 D N 0.631 121.064 120.400 0.055 0.000 2.367 136 D HA -0.025 4.614 4.640 -0.001 0.000 0.255 136 D C 0.632 176.972 176.300 0.067 0.000 1.300 136 D CA 0.172 54.191 54.000 0.031 0.000 0.959 136 D CB 0.458 41.266 40.800 0.014 0.000 1.064 136 D HN 0.008 nan 8.370 nan 0.000 0.509 137 R N 2.722 123.226 120.500 0.007 0.000 2.159 137 R HA -0.106 4.233 4.340 -0.001 0.000 0.237 137 R C 1.375 177.791 176.300 0.194 0.000 1.131 137 R CA 0.626 56.741 56.100 0.025 0.000 0.982 137 R CB 0.013 30.151 30.300 -0.269 0.000 0.868 137 R HN 0.558 nan 8.270 nan 0.000 0.453 138 E N 0.381 120.653 120.200 0.120 0.000 2.153 138 E HA -0.096 4.254 4.350 -0.001 0.000 0.194 138 E C 2.126 178.791 176.600 0.108 0.000 0.988 138 E CA 0.824 57.297 56.400 0.121 0.000 0.811 138 E CB -0.100 29.638 29.700 0.064 0.000 0.746 138 E HN 0.089 nan 8.360 nan 0.000 0.466 139 V N 1.233 121.198 119.914 0.085 0.000 2.295 139 V HA -0.244 3.876 4.120 -0.001 0.000 0.246 139 V C 2.382 178.557 176.094 0.135 0.000 1.049 139 V CA 2.157 64.479 62.300 0.038 0.000 1.024 139 V CB -1.036 30.729 31.823 -0.097 0.000 0.648 139 V HN 0.257 nan 8.190 nan 0.000 0.447 140 T N -0.520 114.206 114.554 0.287 0.000 2.708 140 T HA -0.259 4.091 4.350 -0.001 0.000 0.266 140 T C 1.965 176.769 174.700 0.174 0.000 1.037 140 T CA 1.861 64.141 62.100 0.299 0.000 1.146 140 T CB -0.223 68.873 68.868 0.381 0.000 0.865 140 T HN 0.417 nan 8.240 nan 0.000 0.435 141 K N 0.920 121.445 120.400 0.208 0.000 2.063 141 K HA -0.104 4.216 4.320 -0.001 0.000 0.208 141 K C 2.349 178.972 176.600 0.039 0.000 1.048 141 K CA 1.290 57.640 56.287 0.105 0.000 0.928 141 K CB -0.014 32.595 32.500 0.181 0.000 0.713 141 K HN 0.227 nan 8.250 nan 0.000 0.442 142 K N 0.427 120.854 120.400 0.046 0.000 2.057 142 K HA -0.120 4.200 4.320 -0.001 0.000 0.207 142 K C 2.147 178.738 176.600 -0.014 0.000 1.049 142 K CA 1.299 57.592 56.287 0.010 0.000 0.931 142 K CB -0.134 32.367 32.500 0.002 0.000 0.714 142 K HN 0.112 nan 8.250 nan 0.000 0.440 143 L N 0.615 121.833 121.223 -0.009 0.000 2.012 143 L HA -0.231 4.109 4.340 -0.001 0.000 0.210 143 L C 2.377 179.209 176.870 -0.064 0.000 1.073 143 L CA 1.072 55.887 54.840 -0.041 0.000 0.748 143 L CB -0.605 41.451 42.059 -0.004 0.000 0.891 143 L HN -0.006 nan 8.230 nan 0.000 0.431 144 V N -0.409 119.477 119.914 -0.046 0.000 2.287 144 V HA -0.286 3.834 4.120 -0.001 0.000 0.248 144 V C 2.738 178.799 176.094 -0.055 0.000 1.053 144 V CA 1.669 63.930 62.300 -0.064 0.000 1.027 144 V CB -0.679 31.088 31.823 -0.094 0.000 0.646 144 V HN 0.417 nan 8.190 nan 0.000 0.447 145 R N -0.117 120.357 120.500 -0.043 0.000 2.083 145 R HA -0.175 4.164 4.340 -0.001 0.000 0.237 145 R C 2.304 178.590 176.300 -0.024 0.000 1.137 145 R CA 1.651 57.734 56.100 -0.029 0.000 0.951 145 R CB -0.680 29.609 30.300 -0.018 0.000 0.851 145 R HN 0.633 nan 8.270 nan 0.000 0.434 146 Q N -0.120 119.656 119.800 -0.039 0.000 2.084 146 Q HA -0.084 4.256 4.340 -0.001 0.000 0.202 146 Q C 2.144 178.113 176.000 -0.053 0.000 0.978 146 Q CA 1.604 57.381 55.803 -0.044 0.000 0.844 146 Q CB -0.154 28.543 28.738 -0.070 0.000 0.898 146 Q HN 0.354 nan 8.270 nan 0.000 0.426 147 A N 1.231 123.985 122.820 -0.111 0.000 1.902 147 A HA -0.233 4.086 4.320 -0.001 0.000 0.217 147 A C 1.823 179.457 177.584 0.084 0.000 1.181 147 A CA 1.508 53.473 52.037 -0.121 0.000 0.623 147 A CB -0.412 18.490 19.000 -0.163 0.000 0.818 147 A HN 0.340 nan 8.150 nan 0.000 0.443 148 E N -0.350 119.873 120.200 0.039 0.000 2.051 148 E HA -0.181 4.168 4.350 -0.001 0.000 0.192 148 E C 2.090 178.725 176.600 0.059 0.000 0.991 148 E CA 1.304 57.734 56.400 0.050 0.000 0.799 148 E CB -0.124 29.585 29.700 0.015 0.000 0.748 148 E HN 0.523 nan 8.360 nan 0.000 0.449 149 K N -0.126 120.302 120.400 0.046 0.000 2.097 149 K HA -0.019 4.300 4.320 -0.001 0.000 0.205 149 K C 1.669 178.311 176.600 0.071 0.000 1.050 149 K CA 0.774 57.087 56.287 0.044 0.000 0.938 149 K CB 0.120 32.636 32.500 0.027 0.000 0.718 149 K HN 0.122 nan 8.250 nan 0.000 0.442 150 M N -0.391 119.285 119.600 0.127 0.000 2.563 150 M HA 0.097 4.577 4.480 -0.001 0.000 0.231 150 M C 0.710 177.114 176.300 0.174 0.000 1.136 150 M CA 0.485 55.893 55.300 0.180 0.000 1.026 150 M CB 0.276 33.037 32.600 0.269 0.000 1.597 150 M HN 0.381 nan 8.290 nan 0.000 0.495 151 G N 0.481 109.365 108.800 0.140 0.000 2.132 151 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.228 151 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.228 151 G C -0.407 174.478 174.900 -0.024 0.000 1.000 151 G CA -0.352 44.766 45.100 0.029 0.000 0.693 151 G HN 0.428 nan 8.290 nan 0.000 0.515 152 Y N 0.111 120.404 120.300 -0.012 0.000 2.359 152 Y HA 0.475 5.025 4.550 -0.000 0.000 0.330 152 Y C 1.554 177.481 175.900 0.045 0.000 1.143 152 Y CA -0.294 57.807 58.100 0.002 0.000 1.318 152 Y CB 0.965 39.445 38.460 0.033 0.000 1.234 152 Y HN -0.078 nan 8.280 nan 0.000 0.522 153 K N 1.772 122.286 120.400 0.190 0.000 2.358 153 K HA 0.491 4.811 4.320 -0.001 0.000 0.197 153 K C -0.202 176.595 176.600 0.329 0.000 1.025 153 K CA 0.247 56.661 56.287 0.212 0.000 1.104 153 K CB 0.438 33.027 32.500 0.148 0.000 0.855 153 K HN 0.637 nan 8.250 nan 0.000 0.531 154 A N 0.699 123.772 122.820 0.421 0.000 2.608 154 A HA 0.597 4.916 4.320 -0.001 0.000 0.292 154 A C -1.523 176.172 177.584 0.184 0.000 1.066 154 A CA -0.736 51.439 52.037 0.230 0.000 0.676 154 A CB 1.092 20.145 19.000 0.088 0.000 1.277 154 A HN -0.010 nan 8.150 nan 0.000 0.413 155 I N 1.056 121.610 120.570 -0.027 0.000 2.362 155 I HA 0.396 4.566 4.170 -0.001 0.000 0.289 155 I C -1.280 174.722 176.117 -0.191 0.000 0.994 155 I CA -0.235 61.049 61.300 -0.025 0.000 1.158 155 I CB 0.827 38.794 38.000 -0.055 0.000 1.315 155 I HN 0.527 nan 8.210 nan 0.000 0.451 156 F N 5.512 125.395 119.950 -0.112 0.000 2.371 156 F HA 0.284 4.810 4.527 -0.001 0.000 0.363 156 F C 0.445 176.131 175.800 -0.190 0.000 1.122 156 F CA -0.595 57.296 58.000 -0.181 0.000 1.129 156 F CB 1.581 40.421 39.000 -0.267 0.000 1.173 156 F HN 0.155 nan 8.300 nan 0.000 0.489 157 V N 5.093 124.969 119.914 -0.063 0.000 2.368 157 V HA 0.301 4.421 4.120 -0.001 0.000 0.266 157 V C 0.013 176.044 176.094 -0.105 0.000 1.045 157 V CA -0.137 62.101 62.300 -0.104 0.000 0.899 157 V CB 0.845 32.614 31.823 -0.089 0.000 1.006 157 V HN 0.747 nan 8.190 nan 0.000 0.470 158 T N 6.825 121.262 114.554 -0.194 0.000 2.737 158 T HA 0.211 4.561 4.350 -0.001 0.000 0.296 158 T C 0.830 175.550 174.700 0.033 0.000 0.922 158 T CA 0.295 62.324 62.100 -0.118 0.000 1.079 158 T CB 1.078 69.781 68.868 -0.274 0.000 0.892 158 T HN 0.916 nan 8.240 nan 0.000 0.514 159 V N 0.262 120.191 119.914 0.025 0.000 3.528 159 V HA 0.247 4.367 4.120 -0.001 0.000 0.294 159 V C 0.960 177.061 176.094 0.011 0.000 1.404 159 V CA -0.112 62.174 62.300 -0.023 0.000 1.065 159 V CB -0.084 31.661 31.823 -0.130 0.000 0.904 159 V HN 0.764 nan 8.190 nan 0.000 0.435 160 D N -0.488 119.973 120.400 0.101 0.000 2.424 160 D HA 0.139 4.778 4.640 -0.001 0.000 0.220 160 D C 0.523 176.872 176.300 0.083 0.000 1.150 160 D CA 0.171 54.228 54.000 0.094 0.000 0.831 160 D CB 0.037 40.916 40.800 0.131 0.000 0.981 160 D HN 0.402 nan 8.370 nan 0.000 0.500 161 T N 1.524 116.129 114.554 0.085 0.000 3.658 161 T HA 0.219 4.569 4.350 -0.001 0.000 0.245 161 T C -1.949 172.684 174.700 -0.111 0.000 1.292 161 T CA -0.869 61.230 62.100 -0.002 0.000 1.598 161 T CB 1.588 70.482 68.868 0.043 0.000 0.861 161 T HN -0.005 nan 8.240 nan 0.000 0.663 162 P HA -0.033 nan 4.420 nan 0.000 0.218 162 P C -0.288 176.647 177.300 -0.609 0.000 1.149 162 P CA 1.009 63.912 63.100 -0.329 0.000 0.817 162 P CB 0.184 31.734 31.700 -0.250 0.000 0.785 163 Y N -1.983 118.277 120.300 -0.067 0.000 2.605 163 Y HA 0.462 5.012 4.550 -0.001 0.000 0.343 163 Y C 0.321 176.164 175.900 -0.095 0.000 1.036 163 Y CA -1.549 56.509 58.100 -0.070 0.000 1.065 163 Y CB 0.673 39.102 38.460 -0.051 0.000 1.288 163 Y HN -0.319 nan 8.280 nan 0.000 0.481 164 L N 1.756 123.016 121.223 0.061 0.000 2.397 164 L HA 0.553 4.893 4.340 -0.001 0.000 0.271 164 L C 0.733 177.587 176.870 -0.026 0.000 1.148 164 L CA 0.323 55.142 54.840 -0.035 0.000 0.825 164 L CB 0.400 42.426 42.059 -0.054 0.000 1.117 164 L HN 0.817 nan 8.230 nan 0.000 0.456 165 G N 2.146 110.899 108.800 -0.078 0.000 2.554 165 G HA2 -0.004 3.956 3.960 -0.001 0.000 0.238 165 G HA3 -0.004 3.956 3.960 -0.001 0.000 0.238 165 G C -0.242 174.631 174.900 -0.046 0.000 1.259 165 G CA -0.442 44.620 45.100 -0.063 0.000 0.843 165 G HN 0.769 nan 8.290 nan 0.000 0.582 166 N N 0.133 118.812 118.700 -0.036 0.000 2.521 166 N HA 0.169 4.908 4.740 -0.001 0.000 0.236 166 N C -0.099 175.393 175.510 -0.029 0.000 1.067 166 N CA -0.305 52.727 53.050 -0.030 0.000 0.939 166 N CB 0.174 38.645 38.487 -0.028 0.000 1.201 166 N HN 0.336 nan 8.380 nan 0.000 0.511 167 R N 3.824 124.304 120.500 -0.033 0.000 2.204 167 R HA 0.270 4.609 4.340 -0.001 0.000 0.341 167 R C 1.253 177.536 176.300 -0.028 0.000 1.035 167 R CA -0.440 55.638 56.100 -0.036 0.000 0.887 167 R CB 0.847 31.115 30.300 -0.054 0.000 1.114 167 R HN 0.542 nan 8.270 nan 0.000 0.473 168 L N 1.377 122.588 121.223 -0.019 0.000 2.043 168 L HA -0.283 4.056 4.340 -0.001 0.000 0.212 168 L C 1.220 178.086 176.870 -0.006 0.000 1.075 168 L CA 1.274 56.108 54.840 -0.010 0.000 0.752 168 L CB -0.214 41.842 42.059 -0.004 0.000 0.891 168 L HN 0.617 nan 8.230 nan 0.000 0.432 169 D N -0.109 120.284 120.400 -0.012 0.000 2.178 169 D HA -0.166 4.473 4.640 -0.001 0.000 0.201 169 D C 1.807 178.101 176.300 -0.009 0.000 0.980 169 D CA 1.029 55.026 54.000 -0.005 0.000 0.842 169 D CB -0.187 40.608 40.800 -0.009 0.000 0.948 169 D HN 0.311 nan 8.370 nan 0.000 0.472 170 D N -0.186 120.194 120.400 -0.034 0.000 2.218 170 D HA -0.085 4.555 4.640 -0.001 0.000 0.204 170 D C 2.129 178.436 176.300 0.011 0.000 0.976 170 D CA 0.414 54.389 54.000 -0.042 0.000 0.853 170 D CB 0.286 41.046 40.800 -0.066 0.000 0.939 170 D HN 0.138 nan 8.370 nan 0.000 0.481 171 V N 0.708 120.628 119.914 0.010 0.000 2.599 171 V HA -0.064 4.055 4.120 -0.001 0.000 0.245 171 V C 2.405 178.515 176.094 0.027 0.000 1.046 171 V CA 0.742 63.054 62.300 0.020 0.000 1.065 171 V CB -0.277 31.552 31.823 0.009 0.000 0.703 171 V HN 0.052 nan 8.190 nan 0.000 0.464 172 R N 1.692 122.206 120.500 0.024 0.000 2.103 172 R HA -0.085 4.254 4.340 -0.001 0.000 0.242 172 R C 0.129 176.454 176.300 0.040 0.000 1.142 172 R CA 1.340 57.457 56.100 0.029 0.000 0.960 172 R CB -0.280 30.036 30.300 0.027 0.000 0.858 172 R HN 0.592 nan 8.270 nan 0.000 0.439 173 N N 1.276 120.009 118.700 0.054 0.000 2.524 173 N HA 0.162 4.902 4.740 -0.001 0.000 0.261 173 N C -0.869 174.702 175.510 0.102 0.000 0.998 173 N CA -0.466 52.628 53.050 0.074 0.000 0.915 173 N CB 2.035 40.576 38.487 0.090 0.000 1.187 173 N HN -0.000 nan 8.380 nan 0.000 0.507 174 R N 0.972 121.525 120.500 0.088 0.000 2.811 174 R HA 0.210 4.549 4.340 -0.001 0.000 0.265 174 R C -0.952 175.451 176.300 0.171 0.000 1.026 174 R CA 0.349 56.514 56.100 0.108 0.000 1.142 174 R CB 0.417 30.756 30.300 0.065 0.000 1.027 174 R HN 0.523 nan 8.270 nan 0.000 0.465 175 F N 1.694 121.622 119.950 -0.037 0.000 2.588 175 F HA 0.542 5.069 4.527 -0.001 0.000 0.310 175 F C -0.932 174.811 175.800 -0.096 0.000 1.082 175 F CA -0.562 57.392 58.000 -0.076 0.000 0.929 175 F CB 1.608 40.543 39.000 -0.108 0.000 1.254 175 F HN 0.370 nan 8.300 nan 0.000 0.455 176 K N 4.672 124.605 120.400 -0.779 0.000 2.639 176 K HA 0.579 4.898 4.320 -0.001 0.000 0.279 176 K C -2.457 173.772 176.600 -0.618 0.000 0.976 176 K CA -0.776 55.188 56.287 -0.538 0.000 0.861 176 K CB 2.396 34.758 32.500 -0.231 0.000 1.436 176 K HN 0.785 nan 8.250 nan 0.000 0.400 177 L N 2.899 123.872 121.223 -0.417 0.000 2.455 177 L HA 0.648 4.987 4.340 -0.001 0.000 0.264 177 L C -2.444 174.321 176.870 -0.176 0.000 0.968 177 L CA -0.987 53.680 54.840 -0.290 0.000 0.827 177 L CB 1.672 43.571 42.059 -0.268 0.000 1.317 177 L HN 0.590 nan 8.230 nan 0.000 0.407 205 L N 0.801 122.077 121.223 0.088 0.000 2.240 205 L HA 0.140 4.480 4.340 -0.001 0.000 0.211 205 L C 3.154 180.040 176.870 0.027 0.000 1.106 205 L CA 1.433 56.294 54.840 0.035 0.000 0.793 205 L CB -0.250 41.779 42.059 -0.049 0.000 0.927 205 L HN 0.640 nan 8.230 nan 0.000 0.446 206 A N 0.117 122.954 122.820 0.028 0.000 2.015 206 A HA -0.104 4.216 4.320 -0.001 0.000 0.219 206 A C 2.484 180.094 177.584 0.044 0.000 1.163 206 A CA 1.543 53.592 52.037 0.020 0.000 0.646 206 A CB -0.421 18.588 19.000 0.014 0.000 0.806 206 A HN 0.385 nan 8.150 nan 0.000 0.448 207 A N -1.552 121.298 122.820 0.051 0.000 1.897 207 A HA 0.016 4.336 4.320 -0.001 0.000 0.215 207 A C 2.017 179.601 177.584 -0.000 0.000 1.181 207 A CA 1.231 53.273 52.037 0.009 0.000 0.620 207 A CB -0.715 18.259 19.000 -0.043 0.000 0.821 207 A HN 0.531 nan 8.150 nan 0.000 0.443 208 Y N -0.054 120.242 120.300 -0.008 0.000 2.224 208 Y HA -0.177 4.373 4.550 -0.000 0.000 0.289 208 Y C 2.549 178.497 175.900 0.081 0.000 1.146 208 Y CA 1.635 59.752 58.100 0.029 0.000 1.182 208 Y CB -0.219 38.221 38.460 -0.034 0.000 0.983 208 Y HN 0.123 nan 8.280 nan 0.000 0.524 209 V N -0.746 119.249 119.914 0.135 0.000 2.379 209 V HA -0.284 3.836 4.120 -0.001 0.000 0.245 209 V C 2.442 178.600 176.094 0.105 0.000 1.044 209 V CA 1.586 63.944 62.300 0.097 0.000 1.036 209 V CB -1.277 30.515 31.823 -0.051 0.000 0.664 209 V HN 0.435 nan 8.190 nan 0.000 0.453 210 A N -0.192 122.679 122.820 0.085 0.000 1.933 210 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 210 A C 2.292 179.913 177.584 0.063 0.000 1.175 210 A CA 1.800 53.885 52.037 0.080 0.000 0.628 210 A CB -0.383 18.685 19.000 0.114 0.000 0.814 210 A HN 0.542 nan 8.150 nan 0.000 0.444 211 K N -0.551 119.888 120.400 0.065 0.000 2.057 211 K HA -0.004 4.316 4.320 -0.001 0.000 0.206 211 K C 2.204 178.860 176.600 0.093 0.000 1.050 211 K CA 1.203 57.521 56.287 0.051 0.000 0.935 211 K CB -0.192 32.315 32.500 0.012 0.000 0.715 211 K HN 0.452 nan 8.250 nan 0.000 0.439 212 A N 0.960 123.887 122.820 0.178 0.000 1.887 212 A HA 0.159 4.478 4.320 -0.001 0.000 0.210 212 A C 1.023 178.786 177.584 0.297 0.000 1.221 212 A CA 0.105 52.288 52.037 0.244 0.000 0.635 212 A CB 0.055 19.269 19.000 0.357 0.000 0.881 212 A HN 0.071 nan 8.150 nan 0.000 0.456 213 I N 1.613 122.314 120.570 0.219 0.000 2.371 213 I HA 0.127 4.297 4.170 -0.001 0.000 0.290 213 I C -0.704 175.370 176.117 -0.072 0.000 1.028 213 I CA -0.438 60.886 61.300 0.040 0.000 1.345 213 I CB 0.938 38.846 38.000 -0.153 0.000 1.407 213 I HN 0.133 nan 8.210 nan 0.000 0.501 214 D N 9.636 129.986 120.400 -0.082 0.000 2.336 214 D HA 0.149 4.788 4.640 -0.001 0.000 0.249 214 D C -1.494 174.690 176.300 -0.193 0.000 1.213 214 D CA -2.204 51.730 54.000 -0.111 0.000 0.870 214 D CB 1.226 41.982 40.800 -0.074 0.000 1.076 214 D HN 0.265 nan 8.370 nan 0.000 0.483 215 P HA -0.047 nan 4.420 nan 0.000 0.245 215 P C 0.781 177.970 177.300 -0.185 0.000 1.212 215 P CA 0.344 63.219 63.100 -0.375 0.000 0.774 215 P CB 0.156 31.440 31.700 -0.693 0.000 0.999 216 S N -0.250 115.375 115.700 -0.125 0.000 2.558 216 S HA 0.041 4.511 4.470 -0.001 0.000 0.217 216 S C 1.157 175.708 174.600 -0.081 0.000 0.975 216 S CA -0.577 57.577 58.200 -0.076 0.000 0.912 216 S CB -1.287 61.878 63.200 -0.057 0.000 0.776 216 S HN 0.247 nan 8.310 nan 0.000 0.526 217 I N 1.957 122.462 120.570 -0.107 0.000 2.752 217 I HA 0.472 4.641 4.170 -0.001 0.000 0.287 217 I C 0.107 176.143 176.117 -0.135 0.000 1.188 217 I CA -0.371 60.863 61.300 -0.110 0.000 1.427 217 I CB 0.767 38.699 38.000 -0.114 0.000 1.365 217 I HN 0.296 nan 8.210 nan 0.000 0.585 218 S N 3.351 118.981 115.700 -0.118 0.000 2.851 218 S HA 0.429 4.898 4.470 -0.001 0.000 0.317 218 S C 0.074 174.571 174.600 -0.171 0.000 1.144 218 S CA -0.881 57.230 58.200 -0.147 0.000 0.862 218 S CB 0.514 63.714 63.200 -0.001 0.000 1.259 218 S HN 0.852 nan 8.310 nan 0.000 0.564 219 W N 1.103 122.382 121.300 -0.035 0.000 2.421 219 W HA 0.100 4.759 4.660 -0.000 0.000 0.270 219 W C 2.184 178.741 176.519 0.063 0.000 1.233 219 W CA 0.596 57.879 57.345 -0.104 0.000 1.226 219 W CB -0.129 29.178 29.460 -0.254 0.000 1.121 219 W HN 0.651 nan 8.180 nan 0.000 0.579 220 E N 0.287 120.652 120.200 0.275 0.000 2.106 220 E HA -0.163 4.186 4.350 -0.001 0.000 0.192 220 E C 1.182 177.902 176.600 0.200 0.000 0.984 220 E CA 1.453 57.990 56.400 0.229 0.000 0.806 220 E CB -0.600 29.190 29.700 0.150 0.000 0.750 220 E HN 0.407 nan 8.360 nan 0.000 0.458 221 D N 0.162 120.639 120.400 0.128 0.000 2.312 221 D HA -0.073 4.567 4.640 -0.001 0.000 0.211 221 D C 1.603 178.054 176.300 0.252 0.000 0.964 221 D CA 0.332 54.424 54.000 0.154 0.000 0.877 221 D CB 0.159 40.977 40.800 0.030 0.000 0.924 221 D HN 0.096 nan 8.370 nan 0.000 0.515 222 I N 0.713 121.388 120.570 0.175 0.000 2.480 222 I HA -0.103 4.067 4.170 -0.001 0.000 0.251 222 I C 1.992 178.255 176.117 0.243 0.000 1.124 222 I CA 0.962 62.364 61.300 0.171 0.000 1.444 222 I CB -0.553 37.512 38.000 0.108 0.000 1.098 222 I HN 0.001 nan 8.210 nan 0.000 0.428 223 K N -0.228 120.362 120.400 0.316 0.000 2.063 223 K HA -0.252 4.067 4.320 -0.001 0.000 0.208 223 K C 2.068 178.799 176.600 0.218 0.000 1.048 223 K CA 1.842 58.291 56.287 0.269 0.000 0.928 223 K CB -0.318 32.337 32.500 0.259 0.000 0.713 223 K HN 0.334 nan 8.250 nan 0.000 0.442 224 W N 1.582 122.924 121.300 0.071 0.000 2.355 224 W HA -0.216 4.443 4.660 -0.000 0.000 0.309 224 W C 1.746 178.284 176.519 0.032 0.000 1.206 224 W CA 1.045 58.415 57.345 0.043 0.000 1.284 224 W CB -0.494 28.985 29.460 0.032 0.000 1.145 224 W HN 0.012 nan 8.180 nan 0.000 0.502 225 L N 1.514 122.700 121.223 -0.062 0.000 2.131 225 L HA -0.110 4.230 4.340 -0.001 0.000 0.210 225 L C 2.566 179.300 176.870 -0.226 0.000 1.092 225 L CA 1.843 56.495 54.840 -0.315 0.000 0.759 225 L CB -0.907 41.105 42.059 -0.078 0.000 0.903 225 L HN -0.076 nan 8.230 nan 0.000 0.435 226 R N 0.095 120.546 120.500 -0.081 0.000 2.075 226 R HA -0.065 4.274 4.340 -0.001 0.000 0.232 226 R C 2.292 178.541 176.300 -0.086 0.000 1.126 226 R CA 1.489 57.560 56.100 -0.048 0.000 0.963 226 R CB -0.274 30.044 30.300 0.031 0.000 0.858 226 R HN 0.425 nan 8.270 nan 0.000 0.435 227 R N 0.080 120.520 120.500 -0.100 0.000 2.235 227 R HA -0.060 4.280 4.340 -0.001 0.000 0.213 227 R C 2.045 178.243 176.300 -0.168 0.000 1.059 227 R CA 0.396 56.437 56.100 -0.099 0.000 0.997 227 R CB -0.220 30.050 30.300 -0.051 0.000 0.884 227 R HN 0.059 nan 8.270 nan 0.000 0.462 228 L N 0.135 121.177 121.223 -0.300 0.000 2.291 228 L HA 0.018 4.357 4.340 -0.001 0.000 0.214 228 L C 0.559 177.301 176.870 -0.213 0.000 1.120 228 L CA 1.385 56.011 54.840 -0.356 0.000 0.799 228 L CB 0.336 42.005 42.059 -0.650 0.000 0.925 228 L HN -0.016 nan 8.230 nan 0.000 0.446 229 T N -3.236 111.222 114.554 -0.160 0.000 2.885 229 T HA 0.295 4.645 4.350 -0.001 0.000 0.322 229 T C 0.420 175.078 174.700 -0.071 0.000 1.387 229 T CA -0.019 62.019 62.100 -0.103 0.000 1.041 229 T CB 1.330 70.138 68.868 -0.101 0.000 1.287 229 T HN 0.073 nan 8.240 nan 0.000 0.491 230 S N 2.567 118.241 115.700 -0.045 0.000 2.540 230 S HA 0.367 4.837 4.470 -0.001 0.000 0.218 230 S C 0.750 175.339 174.600 -0.018 0.000 0.977 230 S CA -0.446 57.737 58.200 -0.029 0.000 0.918 230 S CB -0.474 62.714 63.200 -0.019 0.000 0.806 230 S HN 0.623 nan 8.310 nan 0.000 0.496 231 L N 2.282 123.494 121.223 -0.018 0.000 2.506 231 L HA 0.244 4.584 4.340 -0.001 0.000 0.281 231 L C -2.307 174.550 176.870 -0.021 0.000 1.228 231 L CA -1.727 53.112 54.840 -0.002 0.000 0.850 231 L CB -0.171 41.893 42.059 0.009 0.000 1.110 231 L HN 0.039 nan 8.230 nan 0.000 0.496 232 P HA 0.099 nan 4.420 nan 0.000 0.263 232 P C -0.796 176.431 177.300 -0.122 0.000 1.195 232 P CA 0.462 63.531 63.100 -0.052 0.000 0.762 232 P CB 0.315 31.995 31.700 -0.033 0.000 0.799 233 I N 3.159 123.648 120.570 -0.134 0.000 2.404 233 I HA 0.325 4.494 4.170 -0.001 0.000 0.293 233 I C -0.288 175.684 176.117 -0.241 0.000 0.992 233 I CA -0.981 60.206 61.300 -0.189 0.000 1.149 233 I CB 1.900 39.834 38.000 -0.111 0.000 1.315 233 I HN -0.030 nan 8.210 nan 0.000 0.446 234 V N 5.201 124.859 119.914 -0.427 0.000 2.409 234 V HA 0.494 4.614 4.120 -0.001 0.000 0.291 234 V C 0.402 176.380 176.094 -0.194 0.000 1.020 234 V CA -0.806 61.267 62.300 -0.378 0.000 0.848 234 V CB 1.618 32.979 31.823 -0.770 0.000 0.990 234 V HN 0.841 nan 8.190 nan 0.000 0.430 235 A N 4.627 127.416 122.820 -0.053 0.000 2.438 235 A HA 0.374 4.694 4.320 -0.001 0.000 0.280 235 A C 0.224 177.830 177.584 0.036 0.000 1.160 235 A CA -0.013 52.022 52.037 -0.004 0.000 0.821 235 A CB -0.143 18.885 19.000 0.046 0.000 1.101 235 A HN 0.807 nan 8.150 nan 0.000 0.515 236 K N 2.675 123.091 120.400 0.027 0.000 2.263 236 K HA 0.493 4.813 4.320 -0.001 0.000 0.272 236 K C 0.702 177.312 176.600 0.016 0.000 1.033 236 K CA 0.438 56.746 56.287 0.036 0.000 0.884 236 K CB 0.396 32.901 32.500 0.008 0.000 1.107 236 K HN 1.380 nan 8.250 nan 0.000 0.460 237 G N 4.414 113.235 108.800 0.034 0.000 2.143 237 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.175 237 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.175 237 G C -0.092 174.843 174.900 0.059 0.000 1.004 237 G CA -0.537 44.596 45.100 0.054 0.000 0.671 237 G HN 0.506 nan 8.290 nan 0.000 0.512 238 I N 0.828 121.435 120.570 0.061 0.000 2.529 238 I HA 0.346 4.515 4.170 -0.001 0.000 0.284 238 I C 1.401 177.557 176.117 0.065 0.000 1.082 238 I CA 0.086 61.428 61.300 0.071 0.000 1.406 238 I CB 1.273 39.326 38.000 0.090 0.000 1.405 238 I HN 0.067 nan 8.210 nan 0.000 0.548 239 L N 5.516 126.778 121.223 0.064 0.000 3.086 239 L HA 0.272 4.612 4.340 -0.001 0.000 0.274 239 L C 0.600 177.502 176.870 0.053 0.000 1.184 239 L CA 0.007 54.880 54.840 0.055 0.000 1.002 239 L CB 0.275 42.365 42.059 0.052 0.000 1.383 239 L HN 0.517 nan 8.230 nan 0.000 0.582 240 R N -0.766 119.771 120.500 0.062 0.000 2.637 240 R HA 0.438 4.777 4.340 -0.001 0.000 0.291 240 R C 1.052 177.384 176.300 0.053 0.000 0.963 240 R CA -0.042 56.092 56.100 0.058 0.000 0.901 240 R CB 1.729 32.070 30.300 0.069 0.000 1.160 240 R HN -0.024 nan 8.270 nan 0.000 0.457 241 G N 1.587 110.410 108.800 0.038 0.000 2.421 241 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.216 241 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.216 241 G C 0.844 175.756 174.900 0.021 0.000 1.171 241 G CA 1.281 46.396 45.100 0.025 0.000 0.775 241 G HN 0.777 nan 8.290 nan 0.000 0.543 242 D N 1.193 121.607 120.400 0.024 0.000 2.117 242 D HA -0.095 4.545 4.640 -0.001 0.000 0.197 242 D C 1.578 177.884 176.300 0.010 0.000 0.987 242 D CA 1.304 55.309 54.000 0.008 0.000 0.829 242 D CB -0.721 40.086 40.800 0.012 0.000 0.961 242 D HN 0.192 nan 8.370 nan 0.000 0.460 243 D N 0.585 121.034 120.400 0.081 0.000 2.182 243 D HA -0.072 4.568 4.640 -0.001 0.000 0.201 243 D C 2.119 178.506 176.300 0.145 0.000 0.986 243 D CA 1.740 55.852 54.000 0.186 0.000 0.847 243 D CB -0.447 40.509 40.800 0.260 0.000 0.942 243 D HN 0.375 nan 8.370 nan 0.000 0.467 244 A N 0.832 123.701 122.820 0.082 0.000 1.873 244 A HA -0.150 4.169 4.320 -0.001 0.000 0.215 244 A C 2.166 179.753 177.584 0.005 0.000 1.186 244 A CA 1.045 53.116 52.037 0.056 0.000 0.616 244 A CB -0.347 18.673 19.000 0.033 0.000 0.823 244 A HN 0.098 nan 8.150 nan 0.000 0.442 245 R N -0.801 119.682 120.500 -0.028 0.000 2.105 245 R HA -0.160 4.180 4.340 -0.001 0.000 0.239 245 R C 2.150 178.381 176.300 -0.116 0.000 1.135 245 R CA 1.547 57.611 56.100 -0.059 0.000 0.967 245 R CB -0.221 30.045 30.300 -0.058 0.000 0.861 245 R HN 0.558 nan 8.270 nan 0.000 0.442 246 E N 0.718 120.786 120.200 -0.221 0.000 2.072 246 E HA -0.084 4.265 4.350 -0.001 0.000 0.191 246 E C 1.823 178.126 176.600 -0.494 0.000 0.985 246 E CA 1.383 57.469 56.400 -0.523 0.000 0.801 246 E CB -0.135 28.953 29.700 -1.020 0.000 0.750 246 E HN 0.311 nan 8.360 nan 0.000 0.452 247 A N -0.013 122.689 122.820 -0.197 0.000 1.883 247 A HA -0.172 4.148 4.320 -0.001 0.000 0.217 247 A C 2.491 180.123 177.584 0.080 0.000 1.186 247 A CA 1.732 53.844 52.037 0.124 0.000 0.624 247 A CB -0.873 18.260 19.000 0.221 0.000 0.822 247 A HN 0.188 nan 8.150 nan 0.000 0.444 248 V N 0.323 120.249 119.914 0.019 0.000 2.295 248 V HA -0.281 3.838 4.120 -0.001 0.000 0.246 248 V C 2.566 178.666 176.094 0.010 0.000 1.049 248 V CA 2.376 64.681 62.300 0.008 0.000 1.024 248 V CB -0.627 31.186 31.823 -0.017 0.000 0.648 248 V HN 0.639 nan 8.190 nan 0.000 0.447 249 K N -0.766 119.628 120.400 -0.009 0.000 2.152 249 K HA -0.194 4.126 4.320 -0.001 0.000 0.206 249 K C 1.787 178.365 176.600 -0.037 0.000 1.048 249 K CA 1.450 57.715 56.287 -0.037 0.000 0.933 249 K CB -0.199 32.256 32.500 -0.075 0.000 0.721 249 K HN 0.614 nan 8.250 nan 0.000 0.447 250 H N -1.035 117.995 119.070 -0.066 0.000 2.536 250 H HA 0.057 4.613 4.556 -0.001 0.000 0.276 250 H C 0.717 176.063 175.328 0.029 0.000 1.019 250 H CA 0.472 56.526 56.048 0.009 0.000 1.159 250 H CB 0.463 30.287 29.762 0.104 0.000 1.373 250 H HN 0.537 nan 8.280 nan 0.000 0.584 251 G N 1.307 110.159 108.800 0.088 0.000 2.147 251 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.244 251 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.244 251 G C 0.279 175.207 174.900 0.047 0.000 1.005 251 G CA 0.025 45.152 45.100 0.046 0.000 0.713 251 G HN 0.259 nan 8.290 nan 0.000 0.515 252 L N -0.964 120.300 121.223 0.069 0.000 2.466 252 L HA 0.369 4.709 4.340 -0.001 0.000 0.257 252 L C 1.395 178.268 176.870 0.007 0.000 1.189 252 L CA -0.119 54.743 54.840 0.037 0.000 0.813 252 L CB 0.512 42.608 42.059 0.062 0.000 1.118 252 L HN 0.157 nan 8.230 nan 0.000 0.471 253 N N -0.520 118.167 118.700 -0.022 0.000 2.205 253 N HA 0.272 5.012 4.740 -0.001 0.000 0.201 253 N C -0.004 175.499 175.510 -0.013 0.000 1.128 253 N CA -0.050 52.987 53.050 -0.022 0.000 0.867 253 N CB 1.063 39.532 38.487 -0.030 0.000 0.996 253 N HN 0.717 nan 8.380 nan 0.000 0.503 254 G N 0.009 108.802 108.800 -0.012 0.000 2.489 254 G HA2 0.407 4.366 3.960 -0.001 0.000 0.291 254 G HA3 0.407 4.366 3.960 -0.001 0.000 0.291 254 G C -2.119 172.800 174.900 0.032 0.000 1.487 254 G CA -0.629 44.478 45.100 0.012 0.000 0.795 254 G HN -0.102 nan 8.290 nan 0.000 0.513 255 I N 1.036 121.617 120.570 0.018 0.000 2.436 255 I HA 0.396 4.566 4.170 -0.001 0.000 0.289 255 I C -0.721 175.508 176.117 0.186 0.000 1.010 255 I CA -1.011 60.331 61.300 0.071 0.000 1.098 255 I CB 1.424 39.437 38.000 0.023 0.000 1.266 255 I HN 0.414 nan 8.210 nan 0.000 0.434 256 L N 8.300 129.669 121.223 0.244 0.000 2.270 256 L HA 0.373 4.712 4.340 -0.001 0.000 0.286 256 L C -0.231 176.722 176.870 0.139 0.000 1.059 256 L CA -0.313 54.690 54.840 0.273 0.000 0.839 256 L CB 0.941 43.121 42.059 0.201 0.000 1.221 256 L HN 0.306 nan 8.230 nan 0.000 0.431 257 V N 4.846 124.836 119.914 0.127 0.000 2.409 257 V HA 0.335 4.455 4.120 -0.001 0.000 0.270 257 V C 0.593 176.735 176.094 0.078 0.000 1.019 257 V CA 0.291 62.640 62.300 0.082 0.000 1.066 257 V CB 0.002 31.860 31.823 0.058 0.000 1.021 257 V HN 0.891 nan 8.190 nan 0.000 0.476 258 S N 3.764 119.501 115.700 0.060 0.000 2.543 258 S HA 0.460 4.930 4.470 -0.001 0.000 0.271 258 S C 0.043 174.680 174.600 0.063 0.000 1.148 258 S CA -0.764 57.464 58.200 0.047 0.000 0.914 258 S CB 1.361 64.561 63.200 -0.000 0.000 1.096 258 S HN 0.879 nan 8.310 nan 0.000 0.471 259 N N 2.323 121.067 118.700 0.073 0.000 2.321 259 N HA 0.182 4.922 4.740 -0.001 0.000 0.242 259 N C -0.004 175.602 175.510 0.161 0.000 1.141 259 N CA -0.080 53.028 53.050 0.097 0.000 0.864 259 N CB -0.619 37.912 38.487 0.072 0.000 1.100 259 N HN 0.908 nan 8.380 nan 0.000 0.510 260 H N -0.078 119.004 119.070 0.019 0.000 2.839 260 H HA -0.126 4.429 4.556 -0.000 0.000 0.298 260 H C 1.037 176.367 175.328 0.002 0.000 1.224 260 H CA 0.623 56.679 56.048 0.014 0.000 1.144 260 H CB -1.337 28.445 29.762 0.032 0.000 1.372 260 H HN 0.640 nan 8.280 nan 0.000 0.408 261 G N -0.385 108.468 108.800 0.088 0.000 2.249 261 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.273 261 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.273 261 G C 0.897 175.839 174.900 0.069 0.000 1.036 261 G CA 1.115 46.251 45.100 0.061 0.000 0.824 261 G HN 2.001 nan 8.290 nan 0.000 0.504 262 A N -2.249 120.619 122.820 0.081 0.000 2.860 262 A HA -0.257 4.063 4.320 -0.001 0.000 0.267 262 A C 1.567 179.172 177.584 0.035 0.000 1.421 262 A CA 2.333 54.404 52.037 0.056 0.000 0.831 262 A CB -1.648 17.380 19.000 0.047 0.000 1.041 262 A HN 1.144 nan 8.150 nan 0.000 0.623 263 R N -1.422 119.105 120.500 0.045 0.000 2.334 263 R HA 0.133 4.473 4.340 -0.001 0.000 0.212 263 R C 1.827 178.084 176.300 -0.073 0.000 0.897 263 R CA 0.623 56.717 56.100 -0.010 0.000 1.056 263 R CB 0.066 30.378 30.300 0.021 0.000 1.046 263 R HN 0.642 nan 8.270 nan 0.000 0.513 264 Q N 0.202 119.964 119.800 -0.064 0.000 2.263 264 Q HA 0.159 4.498 4.340 -0.001 0.000 0.258 264 Q C 0.015 175.995 176.000 -0.032 0.000 0.993 264 Q CA 0.114 55.863 55.803 -0.089 0.000 0.820 264 Q CB -0.438 28.238 28.738 -0.103 0.000 1.737 264 Q HN 0.054 nan 8.270 nan 0.000 0.522 265 L N 2.822 124.042 121.223 -0.005 0.000 2.255 265 L HA 0.271 4.611 4.340 -0.001 0.000 0.289 265 L C -0.774 176.102 176.870 0.010 0.000 1.046 265 L CA -0.207 54.636 54.840 0.004 0.000 0.816 265 L CB 0.594 42.662 42.059 0.015 0.000 1.197 265 L HN 0.107 nan 8.230 nan 0.000 0.427 266 D N 3.663 124.066 120.400 0.005 0.000 2.345 266 D HA 0.514 5.153 4.640 -0.001 0.000 0.247 266 D C 1.016 177.324 176.300 0.012 0.000 1.108 266 D CA 1.169 55.175 54.000 0.010 0.000 0.894 266 D CB 1.136 41.940 40.800 0.005 0.000 1.203 266 D HN 0.859 nan 8.370 nan 0.000 0.430 267 G N 1.720 110.529 108.800 0.016 0.000 2.163 267 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.213 267 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.213 267 G C 0.298 175.209 174.900 0.019 0.000 0.991 267 G CA 0.081 45.190 45.100 0.015 0.000 0.653 267 G HN 0.964 nan 8.290 nan 0.000 0.518 268 V N -1.642 118.286 119.914 0.023 0.000 2.834 268 V HA 0.797 4.916 4.120 -0.001 0.000 0.301 268 V C -1.343 174.768 176.094 0.028 0.000 1.066 268 V CA -2.205 60.111 62.300 0.027 0.000 1.052 268 V CB 0.983 32.827 31.823 0.034 0.000 1.021 268 V HN 0.062 nan 8.190 nan 0.000 0.480 269 P HA 0.301 nan 4.420 nan 0.000 0.271 269 P C -0.207 177.108 177.300 0.026 0.000 1.233 269 P CA 0.074 63.190 63.100 0.026 0.000 0.789 269 P CB 0.237 31.955 31.700 0.030 0.000 0.951 270 A N 1.109 123.940 122.820 0.019 0.000 2.498 270 A HA 0.167 4.487 4.320 -0.001 0.000 0.239 270 A C 1.597 179.175 177.584 -0.010 0.000 1.068 270 A CA 0.583 52.621 52.037 0.002 0.000 0.766 270 A CB -0.734 18.253 19.000 -0.022 0.000 1.003 270 A HN 0.703 nan 8.150 nan 0.000 0.497 271 T N 0.985 115.531 114.554 -0.013 0.000 2.881 271 T HA -0.183 4.166 4.350 -0.001 0.000 0.270 271 T C 1.543 176.207 174.700 -0.060 0.000 1.068 271 T CA 1.540 63.636 62.100 -0.007 0.000 1.131 271 T CB -0.396 68.491 68.868 0.031 0.000 0.871 271 T HN 0.524 nan 8.240 nan 0.000 0.479 272 I N 1.939 122.396 120.570 -0.188 0.000 2.493 272 I HA -0.056 4.114 4.170 -0.001 0.000 0.254 272 I C 1.456 177.537 176.117 -0.060 0.000 1.160 272 I CA 1.101 62.222 61.300 -0.298 0.000 1.445 272 I CB -0.316 37.165 38.000 -0.864 0.000 1.086 272 I HN 0.051 nan 8.210 nan 0.000 0.433 273 D N -0.230 120.215 120.400 0.075 0.000 2.162 273 D HA -0.077 4.563 4.640 -0.001 0.000 0.203 273 D C 2.302 178.680 176.300 0.130 0.000 0.967 273 D CA 1.788 55.911 54.000 0.205 0.000 0.840 273 D CB -0.141 40.735 40.800 0.126 0.000 0.972 273 D HN 0.402 nan 8.370 nan 0.000 0.482 274 V N -0.597 119.352 119.914 0.059 0.000 2.951 274 V HA -0.015 4.105 4.120 -0.001 0.000 0.255 274 V C 2.278 178.388 176.094 0.026 0.000 1.088 274 V CA 0.400 62.728 62.300 0.046 0.000 1.109 274 V CB -0.668 31.178 31.823 0.037 0.000 0.724 274 V HN 0.002 nan 8.190 nan 0.000 0.471 275 L N 1.641 122.861 121.223 -0.004 0.000 2.013 275 L HA 0.010 4.350 4.340 -0.001 0.000 0.212 275 L C 0.093 176.939 176.870 -0.039 0.000 1.073 275 L CA 2.611 57.429 54.840 -0.036 0.000 0.753 275 L CB -1.778 40.230 42.059 -0.084 0.000 0.890 275 L HN 0.264 nan 8.230 nan 0.000 0.432 276 P HA -0.241 nan 4.420 nan 0.000 0.214 276 P C 1.506 178.812 177.300 0.009 0.000 1.163 276 P CA 1.842 64.937 63.100 -0.009 0.000 0.889 276 P CB -0.098 31.639 31.700 0.061 0.000 0.790 277 E N -0.692 119.524 120.200 0.028 0.000 2.118 277 E HA -0.185 4.165 4.350 -0.001 0.000 0.195 277 E C 1.917 178.523 176.600 0.010 0.000 0.992 277 E CA 1.052 57.466 56.400 0.023 0.000 0.804 277 E CB -0.423 29.297 29.700 0.032 0.000 0.741 277 E HN 0.176 nan 8.360 nan 0.000 0.458 278 I N -0.060 120.513 120.570 0.005 0.000 2.333 278 I HA -0.217 3.953 4.170 -0.001 0.000 0.246 278 I C 2.341 178.445 176.117 -0.022 0.000 1.106 278 I CA 0.388 61.686 61.300 -0.003 0.000 1.411 278 I CB -0.016 37.986 38.000 0.003 0.000 1.082 278 I HN -0.002 nan 8.210 nan 0.000 0.420 279 V N 0.554 120.448 119.914 -0.034 0.000 2.332 279 V HA -0.324 3.795 4.120 -0.001 0.000 0.248 279 V C 2.450 178.522 176.094 -0.036 0.000 1.055 279 V CA 2.065 64.336 62.300 -0.049 0.000 1.038 279 V CB -0.593 31.194 31.823 -0.060 0.000 0.651 279 V HN 0.465 nan 8.190 nan 0.000 0.450 280 E N -0.278 119.909 120.200 -0.022 0.000 2.107 280 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 280 E C 2.280 178.870 176.600 -0.016 0.000 0.982 280 E CA 1.049 57.440 56.400 -0.016 0.000 0.809 280 E CB -0.132 29.565 29.700 -0.005 0.000 0.756 280 E HN 0.579 nan 8.360 nan 0.000 0.459 281 A N 0.411 123.224 122.820 -0.013 0.000 2.019 281 A HA -0.097 4.222 4.320 -0.001 0.000 0.219 281 A C 2.207 179.779 177.584 -0.020 0.000 1.164 281 A CA 0.896 52.926 52.037 -0.013 0.000 0.644 281 A CB -0.167 18.829 19.000 -0.006 0.000 0.805 281 A HN 0.189 nan 8.150 nan 0.000 0.449 282 V N -0.605 119.293 119.914 -0.026 0.000 3.235 282 V HA -0.053 4.067 4.120 -0.001 0.000 0.259 282 V C 0.701 176.773 176.094 -0.035 0.000 1.133 282 V CA 1.018 63.298 62.300 -0.034 0.000 1.128 282 V CB -0.933 30.863 31.823 -0.046 0.000 0.757 282 V HN 0.732 nan 8.190 nan 0.000 0.469 283 E N -0.356 119.824 120.200 -0.032 0.000 2.440 283 E HA -0.296 4.053 4.350 -0.001 0.000 0.246 283 E C 1.184 177.765 176.600 -0.032 0.000 1.165 283 E CA 0.343 56.726 56.400 -0.029 0.000 0.726 283 E CB -1.489 28.197 29.700 -0.024 0.000 1.271 283 E HN 0.815 nan 8.360 nan 0.000 0.397 284 G N -0.338 108.437 108.800 -0.041 0.000 2.155 284 G HA2 -0.412 3.548 3.960 -0.001 0.000 0.257 284 G HA3 -0.412 3.548 3.960 -0.001 0.000 0.257 284 G C 0.770 175.645 174.900 -0.042 0.000 0.983 284 G CA 0.884 45.957 45.100 -0.044 0.000 0.676 284 G HN 0.391 nan 8.290 nan 0.000 0.528 285 K N -0.716 119.659 120.400 -0.041 0.000 2.243 285 K HA 0.317 4.637 4.320 -0.001 0.000 0.201 285 K C 1.227 177.803 176.600 -0.039 0.000 1.051 285 K CA 1.444 57.710 56.287 -0.035 0.000 0.970 285 K CB 0.333 32.816 32.500 -0.030 0.000 0.755 285 K HN 0.922 nan 8.250 nan 0.000 0.465 286 V N -1.613 118.267 119.914 -0.057 0.000 3.078 286 V HA 0.354 4.473 4.120 -0.001 0.000 0.311 286 V C -0.972 175.041 176.094 -0.135 0.000 1.138 286 V CA -1.289 60.968 62.300 -0.072 0.000 1.007 286 V CB 2.134 33.924 31.823 -0.056 0.000 1.045 286 V HN 0.002 nan 8.190 nan 0.000 0.432 287 E N 1.002 121.093 120.200 -0.183 0.000 2.383 287 E HA 0.508 4.858 4.350 -0.001 0.000 0.264 287 E C -1.038 175.167 176.600 -0.659 0.000 1.050 287 E CA -0.306 55.862 56.400 -0.388 0.000 0.896 287 E CB 1.792 31.275 29.700 -0.362 0.000 0.982 287 E HN 0.590 nan 8.360 nan 0.000 0.424 288 V N 4.091 123.565 119.914 -0.732 0.000 2.540 288 V HA 0.423 4.543 4.120 -0.001 0.000 0.302 288 V C -0.752 174.918 176.094 -0.707 0.000 1.035 288 V CA -0.634 61.310 62.300 -0.594 0.000 0.873 288 V CB 0.693 32.366 31.823 -0.251 0.000 0.992 288 V HN 0.487 nan 8.190 nan 0.000 0.428 289 F N 4.006 124.000 119.950 0.074 0.000 2.618 289 F HA 0.822 5.349 4.527 -0.001 0.000 0.332 289 F C -0.257 175.612 175.800 0.116 0.000 1.061 289 F CA -1.034 57.039 58.000 0.121 0.000 0.974 289 F CB 1.872 41.057 39.000 0.308 0.000 1.310 289 F HN 0.358 nan 8.300 nan 0.000 0.491 290 L N 1.490 122.916 121.223 0.339 0.000 2.445 290 L HA 0.646 4.985 4.340 -0.001 0.000 0.262 290 L C -1.918 175.101 176.870 0.248 0.000 0.974 290 L CA -0.407 54.566 54.840 0.220 0.000 0.822 290 L CB 2.023 44.164 42.059 0.137 0.000 1.339 290 L HN 0.849 nan 8.230 nan 0.000 0.409 291 D N 2.284 122.795 120.400 0.185 0.000 2.592 291 D HA 0.798 5.438 4.640 -0.001 0.000 0.263 291 D C -0.378 175.999 176.300 0.128 0.000 1.132 291 D CA -0.081 54.012 54.000 0.155 0.000 0.996 291 D CB 1.918 42.785 40.800 0.112 0.000 1.442 291 D HN 0.950 nan 8.370 nan 0.000 0.486 292 G N -1.618 107.254 108.800 0.119 0.000 3.251 292 G HA2 0.462 4.421 3.960 -0.001 0.000 0.680 292 G HA3 0.462 4.421 3.960 -0.001 0.000 0.680 292 G C 0.744 175.777 174.900 0.223 0.000 1.129 292 G CA 0.386 45.562 45.100 0.127 0.000 0.994 292 G HN 1.837 nan 8.290 nan 0.000 0.450 293 G N -0.786 108.136 108.800 0.204 0.000 2.195 293 G HA2 -0.016 3.944 3.960 -0.001 0.000 0.246 293 G HA3 -0.016 3.944 3.960 -0.001 0.000 0.246 293 G C 0.669 175.677 174.900 0.180 0.000 0.984 293 G CA 0.427 45.699 45.100 0.286 0.000 0.633 293 G HN 1.960 nan 8.290 nan 0.000 0.525 294 V N 2.114 122.070 119.914 0.070 0.000 2.446 294 V HA 0.417 4.537 4.120 -0.001 0.000 0.276 294 V C 1.328 177.358 176.094 -0.106 0.000 1.030 294 V CA 0.492 62.700 62.300 -0.153 0.000 1.033 294 V CB 1.053 32.808 31.823 -0.114 0.000 0.993 294 V HN 0.403 nan 8.190 nan 0.000 0.477 295 R N 3.094 123.506 120.500 -0.146 0.000 2.582 295 R HA 0.330 4.669 4.340 -0.001 0.000 0.285 295 R C 0.061 176.321 176.300 -0.068 0.000 0.940 295 R CA -0.074 55.991 56.100 -0.058 0.000 1.072 295 R CB 0.863 31.167 30.300 0.006 0.000 1.527 295 R HN 0.520 nan 8.270 nan 0.000 0.538 296 K N -0.807 119.519 120.400 -0.125 0.000 2.435 296 K HA 0.433 4.753 4.320 -0.001 0.000 0.251 296 K C 0.760 177.315 176.600 -0.075 0.000 0.954 296 K CA -0.293 55.947 56.287 -0.078 0.000 0.820 296 K CB 2.085 34.547 32.500 -0.063 0.000 1.292 296 K HN -0.064 nan 8.250 nan 0.000 0.436 297 G N 0.201 109.002 108.800 0.002 0.000 2.469 297 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.219 297 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.219 297 G C 1.338 176.309 174.900 0.118 0.000 1.150 297 G CA 2.028 47.187 45.100 0.099 0.000 0.763 297 G HN 0.742 nan 8.290 nan 0.000 0.561 298 T N -1.176 113.403 114.554 0.041 0.000 2.915 298 T HA -0.071 4.279 4.350 -0.001 0.000 0.269 298 T C 1.755 176.449 174.700 -0.009 0.000 1.071 298 T CA 1.565 63.692 62.100 0.045 0.000 1.132 298 T CB -0.187 68.705 68.868 0.040 0.000 0.878 298 T HN 0.175 nan 8.240 nan 0.000 0.479 299 D N 1.500 121.787 120.400 -0.189 0.000 2.097 299 D HA -0.060 4.580 4.640 -0.001 0.000 0.195 299 D C 2.380 178.540 176.300 -0.233 0.000 0.989 299 D CA 0.993 54.675 54.000 -0.530 0.000 0.827 299 D CB -0.539 39.661 40.800 -1.000 0.000 0.966 299 D HN 0.339 nan 8.370 nan 0.000 0.456 300 V N 1.275 121.097 119.914 -0.153 0.000 2.287 300 V HA -0.231 3.888 4.120 -0.001 0.000 0.248 300 V C 2.521 178.626 176.094 0.018 0.000 1.053 300 V CA 1.186 63.390 62.300 -0.159 0.000 1.027 300 V CB -0.563 31.017 31.823 -0.405 0.000 0.646 300 V HN 0.124 nan 8.190 nan 0.000 0.447 301 L N 0.069 121.430 121.223 0.230 0.000 2.046 301 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 301 L C 2.384 179.342 176.870 0.147 0.000 1.077 301 L CA 1.950 56.971 54.840 0.301 0.000 0.747 301 L CB -0.714 41.486 42.059 0.235 0.000 0.896 301 L HN 0.220 nan 8.230 nan 0.000 0.432 302 K N -0.716 119.756 120.400 0.120 0.000 2.057 302 K HA -0.072 4.247 4.320 -0.001 0.000 0.206 302 K C 2.106 178.700 176.600 -0.010 0.000 1.050 302 K CA 1.256 57.590 56.287 0.078 0.000 0.935 302 K CB -0.386 32.221 32.500 0.177 0.000 0.715 302 K HN 0.461 nan 8.250 nan 0.000 0.439 303 A N 1.067 123.928 122.820 0.069 0.000 1.877 303 A HA -0.160 4.160 4.320 -0.001 0.000 0.216 303 A C 2.040 179.606 177.584 -0.030 0.000 1.186 303 A CA 1.367 53.415 52.037 0.018 0.000 0.620 303 A CB -0.510 18.546 19.000 0.093 0.000 0.822 303 A HN 0.107 nan 8.150 nan 0.000 0.443 304 L N -0.442 120.783 121.223 0.002 0.000 2.093 304 L HA -0.080 4.260 4.340 -0.001 0.000 0.208 304 L C 2.963 179.833 176.870 0.000 0.000 1.085 304 L CA 1.728 56.574 54.840 0.009 0.000 0.755 304 L CB -0.821 41.276 42.059 0.063 0.000 0.904 304 L HN 0.395 nan 8.230 nan 0.000 0.435 305 A N -0.804 122.018 122.820 0.003 0.000 1.908 305 A HA -0.168 4.152 4.320 -0.001 0.000 0.218 305 A C 2.204 179.745 177.584 -0.072 0.000 1.181 305 A CA 1.552 53.580 52.037 -0.015 0.000 0.627 305 A CB -0.776 18.227 19.000 0.005 0.000 0.818 305 A HN 0.393 nan 8.150 nan 0.000 0.445 306 L N -1.715 119.421 121.223 -0.145 0.000 2.552 306 L HA 0.129 4.468 4.340 -0.001 0.000 0.227 306 L C 1.687 178.482 176.870 -0.125 0.000 1.146 306 L CA 0.672 55.392 54.840 -0.200 0.000 0.858 306 L CB -0.066 41.763 42.059 -0.384 0.000 0.969 306 L HN 0.643 nan 8.230 nan 0.000 0.451 307 G N -0.992 107.755 108.800 -0.089 0.000 2.227 307 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.168 307 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.168 307 G C 0.332 175.182 174.900 -0.084 0.000 1.006 307 G CA -0.219 44.836 45.100 -0.074 0.000 0.684 307 G HN 0.380 nan 8.290 nan 0.000 0.489 308 A N 0.161 122.935 122.820 -0.077 0.000 2.445 308 A HA 0.688 5.007 4.320 -0.001 0.000 0.242 308 A C 1.246 178.795 177.584 -0.060 0.000 1.075 308 A CA 1.379 53.370 52.037 -0.077 0.000 0.777 308 A CB 0.706 19.692 19.000 -0.022 0.000 1.013 308 A HN 0.488 nan 8.150 nan 0.000 0.493 309 K N 0.787 121.137 120.400 -0.084 0.000 2.137 309 K HA 0.368 4.687 4.320 -0.001 0.000 0.202 309 K C 0.440 177.086 176.600 0.077 0.000 1.052 309 K CA 1.514 57.797 56.287 -0.006 0.000 0.961 309 K CB 0.079 32.556 32.500 -0.039 0.000 0.741 309 K HN 0.996 nan 8.250 nan 0.000 0.452 310 A N -0.430 122.495 122.820 0.174 0.000 2.602 310 A HA 0.577 4.897 4.320 -0.001 0.000 0.290 310 A C -1.372 176.185 177.584 -0.045 0.000 1.114 310 A CA -0.413 51.624 52.037 0.001 0.000 0.683 310 A CB 1.305 20.249 19.000 -0.093 0.000 1.281 310 A HN 0.165 nan 8.150 nan 0.000 0.416 311 V N -1.917 117.845 119.914 -0.253 0.000 2.960 311 V HA 0.952 5.071 4.120 -0.001 0.000 0.315 311 V C -1.033 174.794 176.094 -0.445 0.000 1.087 311 V CA -0.972 61.215 62.300 -0.190 0.000 0.982 311 V CB 1.452 33.213 31.823 -0.103 0.000 1.039 311 V HN 0.731 nan 8.190 nan 0.000 0.437 312 F N 1.951 121.854 119.950 -0.079 0.000 2.508 312 F HA 0.776 5.303 4.527 -0.000 0.000 0.325 312 F C 0.197 175.938 175.800 -0.098 0.000 1.090 312 F CA -0.902 57.028 58.000 -0.117 0.000 0.945 312 F CB 2.274 41.163 39.000 -0.185 0.000 1.156 312 F HN 0.646 nan 8.300 nan 0.000 0.463 313 V N 0.165 120.108 119.914 0.048 0.000 2.483 313 V HA 0.889 5.009 4.120 -0.001 0.000 0.295 313 V C 0.087 176.157 176.094 -0.040 0.000 1.035 313 V CA -0.220 62.071 62.300 -0.015 0.000 0.896 313 V CB 0.879 32.662 31.823 -0.067 0.000 0.986 313 V HN 0.895 nan 8.190 nan 0.000 0.447 314 G N 2.988 111.742 108.800 -0.078 0.000 2.571 314 G HA2 0.111 4.071 3.960 -0.001 0.000 0.225 314 G HA3 0.111 4.071 3.960 -0.001 0.000 0.225 314 G C 1.142 175.887 174.900 -0.258 0.000 1.731 314 G CA -0.128 44.888 45.100 -0.140 0.000 0.858 314 G HN 0.640 nan 8.290 nan 0.000 0.611 315 R N 1.114 121.425 120.500 -0.316 0.000 2.113 315 R HA -0.124 4.215 4.340 -0.001 0.000 0.244 315 R C -0.079 175.737 176.300 -0.807 0.000 1.142 315 R CA 2.083 57.795 56.100 -0.647 0.000 0.953 315 R CB -1.222 28.812 30.300 -0.445 0.000 0.860 315 R HN 0.297 nan 8.270 nan 0.000 0.438 316 P HA -0.178 nan 4.420 nan 0.000 0.217 316 P C 1.018 178.186 177.300 -0.219 0.000 1.148 316 P CA 1.188 64.193 63.100 -0.159 0.000 0.828 316 P CB -0.047 31.610 31.700 -0.072 0.000 0.783 317 I N -1.452 118.962 120.570 -0.259 0.000 2.286 317 I HA -0.129 4.041 4.170 -0.001 0.000 0.245 317 I C 2.269 178.245 176.117 -0.235 0.000 1.104 317 I CA 1.275 62.449 61.300 -0.209 0.000 1.397 317 I CB -1.608 36.292 38.000 -0.166 0.000 1.072 317 I HN -0.119 nan 8.210 nan 0.000 0.417 318 V N 0.108 119.769 119.914 -0.421 0.000 2.343 318 V HA -0.264 3.856 4.120 -0.001 0.000 0.247 318 V C 2.350 178.310 176.094 -0.223 0.000 1.051 318 V CA 1.812 63.793 62.300 -0.532 0.000 1.036 318 V CB -0.839 30.332 31.823 -1.086 0.000 0.654 318 V HN 0.426 nan 8.190 nan 0.000 0.451 319 W N 0.345 121.611 121.300 -0.056 0.000 2.388 319 W HA 0.004 4.663 4.660 -0.001 0.000 0.294 319 W C 2.535 179.143 176.519 0.148 0.000 1.212 319 W CA 0.396 57.791 57.345 0.084 0.000 1.271 319 W CB -0.757 28.781 29.460 0.130 0.000 1.126 319 W HN 0.294 nan 8.180 nan 0.000 0.535 320 G N 0.926 109.841 108.800 0.192 0.000 2.446 320 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.217 320 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.217 320 G C 1.385 176.390 174.900 0.175 0.000 1.168 320 G CA 1.021 46.177 45.100 0.094 0.000 0.771 320 G HN 0.075 nan 8.290 nan 0.000 0.551 321 L N 1.416 122.682 121.223 0.072 0.000 2.012 321 L HA 0.046 4.385 4.340 -0.001 0.000 0.210 321 L C 3.165 180.130 176.870 0.158 0.000 1.073 321 L CA 2.013 56.872 54.840 0.032 0.000 0.748 321 L CB -0.799 41.258 42.059 -0.004 0.000 0.891 321 L HN 0.274 nan 8.230 nan 0.000 0.431 322 A N -1.958 121.025 122.820 0.271 0.000 2.015 322 A HA -0.232 4.087 4.320 -0.001 0.000 0.219 322 A C 2.180 179.990 177.584 0.376 0.000 1.163 322 A CA 1.612 53.861 52.037 0.353 0.000 0.646 322 A CB -0.830 18.424 19.000 0.423 0.000 0.806 322 A HN 0.480 nan 8.150 nan 0.000 0.448 323 F N -0.758 119.336 119.950 0.241 0.000 2.147 323 F HA 0.120 4.647 4.527 -0.001 0.000 0.291 323 F C 1.668 177.563 175.800 0.157 0.000 1.093 323 F CA 1.633 59.757 58.000 0.206 0.000 1.263 323 F CB 0.266 39.410 39.000 0.239 0.000 1.036 323 F HN 0.221 nan 8.300 nan 0.000 0.481 324 Q N -0.290 119.599 119.800 0.148 0.000 2.063 324 Q HA 0.242 4.581 4.340 -0.001 0.000 0.258 324 Q C 0.667 176.604 176.000 -0.106 0.000 0.855 324 Q CA 0.141 55.939 55.803 -0.009 0.000 1.057 324 Q CB 0.859 29.632 28.738 0.059 0.000 1.267 324 Q HN 0.540 nan 8.270 nan 0.000 0.419 325 G N 2.114 110.699 108.800 -0.359 0.000 2.684 325 G HA2 -0.481 3.478 3.960 -0.001 0.000 0.332 325 G HA3 -0.481 3.478 3.960 -0.001 0.000 0.332 325 G C 0.734 175.442 174.900 -0.320 0.000 1.306 325 G CA 0.980 45.560 45.100 -0.867 0.000 1.002 325 G HN 0.527 nan 8.290 nan 0.000 0.545 326 E N 0.153 120.206 120.200 -0.245 0.000 2.085 326 E HA -0.214 4.136 4.350 -0.001 0.000 0.194 326 E C 2.445 179.011 176.600 -0.056 0.000 0.994 326 E CA 1.717 58.052 56.400 -0.108 0.000 0.801 326 E CB -0.224 29.438 29.700 -0.065 0.000 0.743 326 E HN 0.515 nan 8.360 nan 0.000 0.453 327 K N -0.397 119.985 120.400 -0.030 0.000 2.148 327 K HA -0.091 4.229 4.320 -0.001 0.000 0.204 327 K C 2.051 178.689 176.600 0.063 0.000 1.050 327 K CA 1.066 57.364 56.287 0.019 0.000 0.942 327 K CB -0.215 32.308 32.500 0.039 0.000 0.724 327 K HN 0.225 nan 8.250 nan 0.000 0.446 328 G N 0.617 109.469 108.800 0.087 0.000 2.421 328 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.216 328 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.216 328 G C 1.466 176.366 174.900 0.001 0.000 1.171 328 G CA 0.816 46.020 45.100 0.174 0.000 0.775 328 G HN 0.174 nan 8.290 nan 0.000 0.543 329 V N 0.439 120.327 119.914 -0.045 0.000 2.358 329 V HA -0.223 3.897 4.120 -0.001 0.000 0.246 329 V C 2.752 178.791 176.094 -0.093 0.000 1.047 329 V CA 2.223 64.468 62.300 -0.092 0.000 1.035 329 V CB -0.491 31.281 31.823 -0.084 0.000 0.658 329 V HN 0.469 nan 8.190 nan 0.000 0.452 330 Q N -0.436 119.330 119.800 -0.058 0.000 2.124 330 Q HA -0.243 4.097 4.340 -0.001 0.000 0.202 330 Q C 1.992 177.965 176.000 -0.045 0.000 0.977 330 Q CA 1.868 57.643 55.803 -0.046 0.000 0.850 330 Q CB -0.075 28.647 28.738 -0.026 0.000 0.901 330 Q HN 0.632 nan 8.270 nan 0.000 0.429 331 D N -0.359 120.024 120.400 -0.029 0.000 2.084 331 D HA -0.149 4.491 4.640 -0.001 0.000 0.194 331 D C 2.003 178.230 176.300 -0.121 0.000 0.990 331 D CA 1.171 55.161 54.000 -0.017 0.000 0.826 331 D CB -0.304 40.555 40.800 0.099 0.000 0.971 331 D HN 0.107 nan 8.370 nan 0.000 0.453 332 V N 1.350 121.089 119.914 -0.291 0.000 2.250 332 V HA -0.258 3.862 4.120 -0.001 0.000 0.250 332 V C 2.667 178.649 176.094 -0.187 0.000 1.060 332 V CA 1.404 63.480 62.300 -0.373 0.000 1.030 332 V CB -0.519 31.043 31.823 -0.434 0.000 0.643 332 V HN 0.218 nan 8.190 nan 0.000 0.445 333 L N -0.810 120.330 121.223 -0.138 0.000 2.201 333 L HA -0.167 4.172 4.340 -0.001 0.000 0.212 333 L C 2.458 179.290 176.870 -0.064 0.000 1.105 333 L CA 1.420 56.202 54.840 -0.097 0.000 0.775 333 L CB -0.482 41.525 42.059 -0.087 0.000 0.913 333 L HN 0.388 nan 8.230 nan 0.000 0.440 334 E N 0.217 120.386 120.200 -0.051 0.000 2.112 334 E HA -0.118 4.232 4.350 -0.001 0.000 0.190 334 E C 2.275 178.869 176.600 -0.011 0.000 0.979 334 E CA 0.621 57.008 56.400 -0.022 0.000 0.814 334 E CB 0.098 29.791 29.700 -0.011 0.000 0.762 334 E HN 0.397 nan 8.360 nan 0.000 0.460 335 I N 0.845 121.402 120.570 -0.021 0.000 2.163 335 I HA -0.314 3.856 4.170 -0.001 0.000 0.243 335 I C 2.206 178.322 176.117 -0.002 0.000 1.085 335 I CA 1.092 62.390 61.300 -0.004 0.000 1.347 335 I CB -0.172 37.829 38.000 0.002 0.000 1.044 335 I HN 0.143 nan 8.210 nan 0.000 0.408 336 L N 0.466 121.674 121.223 -0.025 0.000 2.083 336 L HA -0.255 4.084 4.340 -0.001 0.000 0.209 336 L C 2.631 179.521 176.870 0.032 0.000 1.083 336 L CA 1.490 56.319 54.840 -0.017 0.000 0.752 336 L CB -0.530 41.490 42.059 -0.065 0.000 0.899 336 L HN 0.256 nan 8.230 nan 0.000 0.433 337 K N -0.164 120.251 120.400 0.025 0.000 2.026 337 K HA -0.192 4.128 4.320 -0.001 0.000 0.208 337 K C 2.042 178.703 176.600 0.101 0.000 1.048 337 K CA 1.278 57.609 56.287 0.073 0.000 0.929 337 K CB 0.138 32.658 32.500 0.034 0.000 0.713 337 K HN 0.136 nan 8.250 nan 0.000 0.439 338 E N 0.934 121.166 120.200 0.053 0.000 2.107 338 E HA -0.146 4.203 4.350 -0.001 0.000 0.191 338 E C 1.896 178.517 176.600 0.035 0.000 0.982 338 E CA 1.045 57.466 56.400 0.035 0.000 0.809 338 E CB -0.030 29.681 29.700 0.018 0.000 0.756 338 E HN 0.429 nan 8.360 nan 0.000 0.459 339 E N -0.152 120.078 120.200 0.049 0.000 2.110 339 E HA -0.168 4.181 4.350 -0.001 0.000 0.193 339 E C 1.876 178.524 176.600 0.080 0.000 0.988 339 E CA 0.716 57.145 56.400 0.048 0.000 0.804 339 E CB -0.216 29.510 29.700 0.043 0.000 0.745 339 E HN 0.156 nan 8.360 nan 0.000 0.458 340 F N 1.864 121.793 119.950 -0.036 0.000 2.146 340 F HA -0.106 4.421 4.527 -0.001 0.000 0.298 340 F C 2.409 178.195 175.800 -0.024 0.000 1.096 340 F CA 1.399 59.378 58.000 -0.035 0.000 1.275 340 F CB -0.104 38.870 39.000 -0.042 0.000 1.008 340 F HN -0.218 nan 8.300 nan 0.000 0.480 341 R N 0.114 120.545 120.500 -0.116 0.000 2.083 341 R HA -0.203 4.136 4.340 -0.001 0.000 0.237 341 R C 2.252 178.441 176.300 -0.185 0.000 1.137 341 R CA 1.990 57.975 56.100 -0.191 0.000 0.951 341 R CB -0.831 29.434 30.300 -0.058 0.000 0.851 341 R HN 0.417 nan 8.270 nan 0.000 0.434 342 L N 0.753 121.913 121.223 -0.105 0.000 2.046 342 L HA -0.068 4.271 4.340 -0.001 0.000 0.208 342 L C 2.297 179.106 176.870 -0.103 0.000 1.077 342 L CA 2.211 57.002 54.840 -0.081 0.000 0.747 342 L CB -0.771 41.263 42.059 -0.040 0.000 0.896 342 L HN 0.305 nan 8.230 nan 0.000 0.432 343 A N -1.026 121.724 122.820 -0.117 0.000 1.902 343 A HA -0.225 4.094 4.320 -0.001 0.000 0.217 343 A C 2.341 179.826 177.584 -0.165 0.000 1.181 343 A CA 1.993 53.970 52.037 -0.101 0.000 0.623 343 A CB -0.538 18.435 19.000 -0.044 0.000 0.818 343 A HN 0.518 nan 8.150 nan 0.000 0.443 344 M N -0.674 118.726 119.600 -0.333 0.000 2.086 344 M HA -0.187 4.292 4.480 -0.001 0.000 0.261 344 M C 2.558 178.747 176.300 -0.184 0.000 1.067 344 M CA 1.566 56.662 55.300 -0.340 0.000 1.116 344 M CB -0.369 31.890 32.600 -0.570 0.000 1.348 344 M HN 0.507 nan 8.290 nan 0.000 0.407 345 A N 0.337 123.061 122.820 -0.160 0.000 1.883 345 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 345 A C 1.944 179.487 177.584 -0.067 0.000 1.186 345 A CA 1.479 53.458 52.037 -0.097 0.000 0.624 345 A CB -1.040 17.911 19.000 -0.082 0.000 0.822 345 A HN 0.520 nan 8.150 nan 0.000 0.444 346 L N -0.163 121.022 121.223 -0.063 0.000 2.376 346 L HA -0.062 4.278 4.340 -0.001 0.000 0.219 346 L C 2.070 178.922 176.870 -0.029 0.000 1.133 346 L CA 0.995 55.812 54.840 -0.039 0.000 0.816 346 L CB -0.223 41.817 42.059 -0.033 0.000 0.933 346 L HN 0.271 nan 8.230 nan 0.000 0.449 347 S N -0.288 115.390 115.700 -0.036 0.000 2.558 347 S HA 0.173 4.642 4.470 -0.001 0.000 0.217 347 S C 1.418 176.012 174.600 -0.011 0.000 0.975 347 S CA 0.625 58.817 58.200 -0.013 0.000 0.912 347 S CB 0.466 63.659 63.200 -0.011 0.000 0.776 347 S HN 0.614 nan 8.310 nan 0.000 0.526 348 G N 0.982 109.767 108.800 -0.026 0.000 2.171 348 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.238 348 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.238 348 G C -0.084 174.800 174.900 -0.025 0.000 1.039 348 G CA -0.151 44.937 45.100 -0.020 0.000 0.759 348 G HN 0.525 nan 8.290 nan 0.000 0.501 349 C N 0.912 120.184 119.300 -0.047 0.000 2.258 349 C HA 0.494 4.953 4.460 -0.001 0.000 0.321 349 C C 1.499 176.450 174.990 -0.065 0.000 1.168 349 C CA -0.533 58.455 59.018 -0.050 0.000 1.531 349 C CB 1.211 28.915 27.740 -0.060 0.000 2.095 349 C HN 0.595 nan 8.230 nan 0.000 0.449 350 Q N 2.701 122.476 119.800 -0.041 0.000 2.230 350 Q HA -0.087 4.253 4.340 -0.001 0.000 0.202 350 Q C 0.494 176.474 176.000 -0.033 0.000 0.963 350 Q CA 1.543 57.323 55.803 -0.038 0.000 0.866 350 Q CB 0.304 29.029 28.738 -0.022 0.000 0.931 350 Q HN 0.984 nan 8.270 nan 0.000 0.452 351 N N -3.490 115.197 118.700 -0.021 0.000 2.853 351 N HA 0.131 4.871 4.740 -0.001 0.000 0.258 351 N C 0.424 175.945 175.510 0.018 0.000 1.444 351 N CA -0.001 53.049 53.050 0.000 0.000 0.837 351 N CB 0.819 39.312 38.487 0.011 0.000 1.489 351 N HN -0.215 nan 8.380 nan 0.000 0.529 352 V N -2.495 117.452 119.914 0.055 0.000 2.759 352 V HA -0.024 4.095 4.120 -0.001 0.000 0.256 352 V C 1.248 177.376 176.094 0.057 0.000 1.080 352 V CA 1.110 63.463 62.300 0.089 0.000 1.101 352 V CB -0.873 31.029 31.823 0.131 0.000 0.698 352 V HN 0.642 nan 8.190 nan 0.000 0.477 353 K N 0.462 120.884 120.400 0.037 0.000 2.439 353 K HA 0.120 4.439 4.320 -0.001 0.000 0.197 353 K C 1.893 178.504 176.600 0.019 0.000 1.041 353 K CA 1.109 57.411 56.287 0.025 0.000 0.970 353 K CB 0.074 32.586 32.500 0.020 0.000 0.773 353 K HN 0.520 nan 8.250 nan 0.000 0.479 354 V N 1.674 121.598 119.914 0.017 0.000 3.174 354 V HA 0.012 4.132 4.120 -0.001 0.000 0.254 354 V C 1.118 177.220 176.094 0.015 0.000 1.120 354 V CA 0.240 62.547 62.300 0.011 0.000 1.114 354 V CB -0.211 31.614 31.823 0.003 0.000 0.756 354 V HN 0.176 nan 8.190 nan 0.000 0.467 355 I N 3.087 123.671 120.570 0.024 0.000 2.752 355 I HA 0.090 4.259 4.170 -0.001 0.000 0.289 355 I C -0.003 176.128 176.117 0.023 0.000 1.197 355 I CA 0.512 61.831 61.300 0.032 0.000 1.432 355 I CB 0.065 38.100 38.000 0.058 0.000 1.359 355 I HN 0.397 nan 8.210 nan 0.000 0.571 356 D N 4.673 125.086 120.400 0.021 0.000 2.570 356 D HA 0.221 4.861 4.640 -0.001 0.000 0.244 356 D C 0.056 176.362 176.300 0.011 0.000 1.178 356 D CA -0.975 53.032 54.000 0.012 0.000 0.881 356 D CB 0.959 41.765 40.800 0.010 0.000 1.453 356 D HN 0.283 nan 8.370 nan 0.000 0.447 357 K N -0.699 119.701 120.400 0.000 0.000 2.218 357 K HA -0.125 4.195 4.320 -0.001 0.000 0.205 357 K C 1.586 178.193 176.600 0.012 0.000 1.046 357 K CA 1.938 58.224 56.287 -0.001 0.000 0.933 357 K CB -0.442 32.055 32.500 -0.004 0.000 0.728 357 K HN 0.720 nan 8.250 nan 0.000 0.454 358 T N -0.850 113.709 114.554 0.008 0.000 3.118 358 T HA 0.030 4.380 4.350 -0.001 0.000 0.260 358 T C 1.738 176.453 174.700 0.024 0.000 1.139 358 T CA 0.344 62.439 62.100 -0.008 0.000 1.085 358 T CB -0.144 68.717 68.868 -0.013 0.000 0.934 358 T HN 0.102 nan 8.240 nan 0.000 0.518 359 L N 1.373 122.637 121.223 0.068 0.000 2.376 359 L HA 0.166 4.505 4.340 -0.001 0.000 0.219 359 L C 0.844 177.850 176.870 0.227 0.000 1.133 359 L CA 0.234 55.154 54.840 0.134 0.000 0.816 359 L CB -0.175 41.943 42.059 0.099 0.000 0.933 359 L HN 0.384 nan 8.230 nan 0.000 0.449 360 V N -2.991 117.036 119.914 0.189 0.000 2.876 360 V HA 0.652 4.771 4.120 -0.001 0.000 0.312 360 V C -0.674 175.592 176.094 0.286 0.000 1.085 360 V CA -0.916 61.572 62.300 0.312 0.000 0.945 360 V CB 2.295 34.273 31.823 0.259 0.000 1.017 360 V HN 0.051 nan 8.190 nan 0.000 0.428 361 R N 1.360 122.107 120.500 0.412 0.000 2.584 361 R HA 0.526 4.866 4.340 -0.001 0.000 0.276 361 R C -1.124 175.311 176.300 0.225 0.000 1.046 361 R CA -0.706 55.547 56.100 0.256 0.000 0.906 361 R CB 2.516 32.788 30.300 -0.046 0.000 1.215 361 R HN 0.921 nan 8.270 nan 0.000 0.449 362 K N 1.981 122.299 120.400 -0.137 0.000 2.234 362 K HA 0.222 4.541 4.320 -0.001 0.000 0.282 362 K C -0.138 176.296 176.600 -0.276 0.000 1.039 362 K CA -0.474 55.458 56.287 -0.593 0.000 0.928 362 K CB 0.691 32.391 32.500 -1.333 0.000 1.039 362 K HN 0.423 nan 8.250 nan 0.000 0.470 363 N N 0.000 118.571 118.700 -0.214 0.000 1.763 363 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 363 N CA 0.000 52.970 53.050 -0.133 0.000 0.885 363 N CB 0.000 38.446 38.487 -0.069 0.000 1.341 363 N HN 0.000 nan 8.380 nan 0.000 0.667