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 3o0d_1_C DATA FIRST_RESID 1 DATA SEQUENCE VYTSTETSHI DQESYNFFEK YARLANIGYc VGPGTKIFKP FNcGLQcAHF DATA SEQUENCE PNVELIEEFH DPRLIFDVSG YLAVDHASKQ IYLVIRGTHS LEDVITDIRI DATA SEQUENCE MQAPLTNFDL AANISSTATC DDCLVHNGFI QSYNNTYNQI GPKLDSVIEQ DATA SEQUENCE YPDYQIAVTG HSLGGAAALL FGINLKVNGH DPLVVTLGQP IVGNAGFANW DATA SEQUENCE VDKLFFGQEN PDVSKVSKDR KLYRITHRGD IVPQVPFWDG YQHCSGEVFI DATA SEQUENCE DWPLIHPPLS NVVMcQGQSN KQcSAGNTLL QQVNVIGNHL QYFVTEGVcG DATA SEQUENCE I 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 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 175.992 176.094 -0.170 0.000 1.182 1 V CA 0.000 62.223 62.300 -0.129 0.000 1.235 1 V CB 0.000 31.815 31.823 -0.014 0.000 1.184 2 Y N 2.968 123.287 120.300 0.032 0.000 2.404 2 Y HA 0.557 5.107 4.550 -0.000 0.000 0.344 2 Y C 1.111 177.018 175.900 0.011 0.000 0.995 2 Y CA -0.039 58.071 58.100 0.017 0.000 1.201 2 Y CB 1.460 39.925 38.460 0.008 0.000 1.151 2 Y HN 0.777 nan 8.280 nan 0.000 0.517 3 T N -0.428 114.201 114.554 0.125 0.000 2.918 3 T HA 0.798 5.148 4.350 -0.000 0.000 0.286 3 T C -0.294 174.440 174.700 0.055 0.000 1.026 3 T CA -0.821 61.321 62.100 0.070 0.000 1.031 3 T CB 2.059 70.949 68.868 0.037 0.000 1.046 3 T HN 0.491 nan 8.240 nan 0.000 0.479 4 S N -0.343 115.372 115.700 0.025 0.000 2.625 4 S HA 0.655 5.125 4.470 -0.000 0.000 0.271 4 S C 0.246 174.840 174.600 -0.009 0.000 1.161 4 S CA -0.114 58.091 58.200 0.008 0.000 0.820 4 S CB 1.483 64.681 63.200 -0.003 0.000 1.137 4 S HN 1.231 nan 8.310 nan 0.000 0.470 5 T N -0.790 113.757 114.554 -0.012 0.000 3.145 5 T HA 0.408 4.758 4.350 -0.000 0.000 0.281 5 T C -0.242 174.444 174.700 -0.023 0.000 1.003 5 T CA -0.331 61.755 62.100 -0.022 0.000 0.901 5 T CB -0.232 68.626 68.868 -0.015 0.000 1.112 5 T HN 0.550 nan 8.240 nan 0.000 0.535 6 E N 2.727 122.915 120.200 -0.021 0.000 2.316 6 E HA 0.447 4.797 4.350 -0.000 0.000 0.275 6 E C 0.060 176.642 176.600 -0.030 0.000 1.029 6 E CA -0.276 56.112 56.400 -0.020 0.000 0.871 6 E CB 0.985 30.674 29.700 -0.017 0.000 1.022 6 E HN 0.573 nan 8.360 nan 0.000 0.418 7 T N -0.818 113.716 114.554 -0.034 0.000 2.901 7 T HA 0.660 5.010 4.350 -0.000 0.000 0.293 7 T C -0.274 174.388 174.700 -0.063 0.000 1.084 7 T CA -0.874 61.199 62.100 -0.044 0.000 1.008 7 T CB 1.804 70.644 68.868 -0.047 0.000 1.170 7 T HN 0.223 nan 8.240 nan 0.000 0.509 8 S N -0.070 115.590 115.700 -0.066 0.000 2.588 8 S HA 0.565 5.035 4.470 -0.000 0.000 0.275 8 S C -1.005 173.537 174.600 -0.096 0.000 1.130 8 S CA -0.890 57.273 58.200 -0.062 0.000 0.855 8 S CB 1.164 64.379 63.200 0.025 0.000 1.116 8 S HN 0.741 nan 8.310 nan 0.000 0.472 9 H N 1.219 120.344 119.070 0.093 0.000 2.534 9 H HA 0.616 5.172 4.556 -0.000 0.000 0.364 9 H C 0.157 175.563 175.328 0.130 0.000 1.328 9 H CA -0.200 55.912 56.048 0.108 0.000 1.415 9 H CB 0.703 30.515 29.762 0.082 0.000 1.573 9 H HN 0.642 nan 8.280 nan 0.000 0.601 10 I N -1.245 119.514 120.570 0.314 0.000 3.042 10 I HA 0.363 4.533 4.170 -0.000 0.000 0.310 10 I C -0.617 175.621 176.117 0.201 0.000 1.117 10 I CA -1.220 60.235 61.300 0.258 0.000 1.003 10 I CB 2.443 40.651 38.000 0.347 0.000 1.228 10 I HN 0.398 nan 8.210 nan 0.000 0.443 11 D N 2.003 122.490 120.400 0.146 0.000 2.432 11 D HA 0.164 4.804 4.640 -0.000 0.000 0.258 11 D C 0.616 176.979 176.300 0.105 0.000 1.146 11 D CA -0.377 53.678 54.000 0.092 0.000 1.015 11 D CB 0.956 41.784 40.800 0.046 0.000 1.107 11 D HN 0.719 nan 8.370 nan 0.000 0.529 12 Q N -0.369 119.460 119.800 0.048 0.000 2.119 12 Q HA -0.190 4.150 4.340 -0.000 0.000 0.201 12 Q C 1.797 177.837 176.000 0.067 0.000 0.972 12 Q CA 1.968 57.789 55.803 0.031 0.000 0.847 12 Q CB -0.239 28.475 28.738 -0.039 0.000 0.903 12 Q HN 0.709 nan 8.270 nan 0.000 0.433 13 E N -0.957 119.259 120.200 0.026 0.000 2.077 13 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 13 E C 1.730 178.320 176.600 -0.016 0.000 0.989 13 E CA 1.398 57.798 56.400 -0.000 0.000 0.800 13 E CB -0.057 29.624 29.700 -0.032 0.000 0.746 13 E HN 0.378 nan 8.360 nan 0.000 0.452 14 S N -0.181 115.501 115.700 -0.030 0.000 2.368 14 S HA -0.185 4.285 4.470 -0.000 0.000 0.225 14 S C 1.601 176.150 174.600 -0.084 0.000 1.030 14 S CA 1.203 59.315 58.200 -0.146 0.000 0.999 14 S CB -0.570 62.592 63.200 -0.063 0.000 0.844 14 S HN 0.457 nan 8.310 nan 0.000 0.459 15 Y N 3.127 123.461 120.300 0.057 0.000 2.114 15 Y HA -0.260 4.290 4.550 -0.000 0.000 0.282 15 Y C 2.077 177.968 175.900 -0.016 0.000 1.165 15 Y CA 1.739 59.945 58.100 0.176 0.000 1.148 15 Y CB -0.320 38.248 38.460 0.180 0.000 0.972 15 Y HN 0.198 nan 8.280 nan 0.000 0.504 16 N N -0.045 118.791 118.700 0.225 0.000 2.244 16 N HA -0.198 4.542 4.740 -0.000 0.000 0.183 16 N C 1.638 177.108 175.510 -0.068 0.000 1.016 16 N CA 1.466 54.564 53.050 0.079 0.000 0.866 16 N CB -0.865 37.657 38.487 0.059 0.000 0.980 16 N HN 0.514 nan 8.380 nan 0.000 0.430 17 F N 0.929 120.722 119.950 -0.262 0.000 2.102 17 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 17 F C 1.730 177.361 175.800 -0.282 0.000 1.105 17 F CA 1.229 59.047 58.000 -0.303 0.000 1.239 17 F CB -0.405 38.330 39.000 -0.442 0.000 0.991 17 F HN -0.164 nan 8.300 nan 0.000 0.474 18 F N 1.169 120.951 119.950 -0.280 0.000 2.171 18 F HA -0.117 4.410 4.527 -0.000 0.000 0.300 18 F C 2.612 177.924 175.800 -0.813 0.000 1.090 18 F CA 1.557 59.242 58.000 -0.525 0.000 1.293 18 F CB -1.358 37.411 39.000 -0.384 0.000 1.013 18 F HN 0.169 nan 8.300 nan 0.000 0.486 19 E N 1.005 120.669 120.200 -0.892 0.000 2.110 19 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 19 E C 2.308 178.661 176.600 -0.411 0.000 0.988 19 E CA 1.255 57.142 56.400 -0.854 0.000 0.804 19 E CB -0.124 29.215 29.700 -0.602 0.000 0.745 19 E HN 0.421 nan 8.360 nan 0.000 0.458 20 K N -0.341 119.824 120.400 -0.392 0.000 2.032 20 K HA -0.220 4.100 4.320 -0.000 0.000 0.209 20 K C 1.801 178.111 176.600 -0.483 0.000 1.048 20 K CA 1.814 57.872 56.287 -0.382 0.000 0.927 20 K CB -0.291 31.917 32.500 -0.485 0.000 0.712 20 K HN 0.188 nan 8.250 nan 0.000 0.441 21 Y N 0.251 120.389 120.300 -0.269 0.000 2.373 21 Y HA 0.039 4.589 4.550 -0.000 0.000 0.293 21 Y C 2.325 178.129 175.900 -0.160 0.000 1.129 21 Y CA 0.804 58.754 58.100 -0.251 0.000 1.226 21 Y CB -0.351 37.926 38.460 -0.306 0.000 1.000 21 Y HN 0.226 nan 8.280 nan 0.000 0.549 22 A N 0.474 123.262 122.820 -0.052 0.000 1.933 22 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 22 A C 2.295 179.872 177.584 -0.012 0.000 1.175 22 A CA 1.589 53.627 52.037 0.001 0.000 0.628 22 A CB -0.460 18.584 19.000 0.073 0.000 0.814 22 A HN 0.386 nan 8.150 nan 0.000 0.444 23 R N -0.633 119.850 120.500 -0.030 0.000 2.066 23 R HA -0.032 4.308 4.340 -0.000 0.000 0.232 23 R C 2.113 178.429 176.300 0.027 0.000 1.131 23 R CA 1.453 57.581 56.100 0.047 0.000 0.955 23 R CB -0.603 29.793 30.300 0.160 0.000 0.851 23 R HN 0.496 nan 8.270 nan 0.000 0.432 24 L N 0.408 121.571 121.223 -0.101 0.000 2.042 24 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 24 L C 2.738 179.601 176.870 -0.012 0.000 1.076 24 L CA 1.420 56.147 54.840 -0.188 0.000 0.749 24 L CB -0.650 41.125 42.059 -0.474 0.000 0.893 24 L HN 0.277 nan 8.230 nan 0.000 0.432 25 A N 0.337 123.146 122.820 -0.018 0.000 1.908 25 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 25 A C 2.156 179.802 177.584 0.103 0.000 1.181 25 A CA 2.046 54.096 52.037 0.022 0.000 0.627 25 A CB -0.814 18.210 19.000 0.039 0.000 0.818 25 A HN 0.576 nan 8.150 nan 0.000 0.445 26 N N 0.760 119.520 118.700 0.102 0.000 2.149 26 N HA -0.146 4.594 4.740 -0.000 0.000 0.188 26 N C 1.525 177.145 175.510 0.184 0.000 1.019 26 N CA 1.877 55.021 53.050 0.156 0.000 0.857 26 N CB -0.402 38.113 38.487 0.047 0.000 0.997 26 N HN 0.537 nan 8.380 nan 0.000 0.426 27 I N 0.556 121.197 120.570 0.118 0.000 2.756 27 I HA -0.091 4.079 4.170 -0.000 0.000 0.262 27 I C 2.338 178.534 176.117 0.133 0.000 1.225 27 I CA 0.769 62.100 61.300 0.052 0.000 1.472 27 I CB -0.519 37.450 38.000 -0.052 0.000 1.094 27 I HN 0.193 nan 8.210 nan 0.000 0.454 28 G N 0.240 109.161 108.800 0.201 0.000 2.448 28 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.219 28 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.219 28 G C 1.266 176.055 174.900 -0.185 0.000 1.127 28 G CA 0.483 45.591 45.100 0.014 0.000 0.766 28 G HN 0.395 nan 8.290 nan 0.000 0.552 29 Y N -0.360 119.940 120.300 0.000 0.000 2.578 29 Y HA 0.065 4.615 4.550 -0.000 0.000 0.297 29 Y C 2.278 178.144 175.900 -0.056 0.000 1.176 29 Y CA -0.163 57.921 58.100 -0.026 0.000 1.315 29 Y CB -0.105 38.339 38.460 -0.026 0.000 1.031 29 Y HN 0.175 nan 8.280 nan 0.000 0.524 30 c N -0.618 117.990 118.600 0.013 0.000 2.697 30 c HA 0.246 4.816 4.570 -0.000 0.000 0.267 30 c C 0.865 174.876 174.090 -0.132 0.000 1.278 30 c CA -0.600 55.683 56.329 -0.076 0.000 1.708 30 c CB -1.172 41.250 42.510 -0.146 0.000 1.860 30 c HN -0.018 nan 8.230 nan 0.000 0.589 31 V N 1.580 121.423 119.914 -0.118 0.000 2.407 31 V HA 0.776 4.896 4.120 -0.000 0.000 0.278 31 V C 0.636 176.642 176.094 -0.147 0.000 1.037 31 V CA 0.941 63.152 62.300 -0.150 0.000 0.900 31 V CB 0.684 32.414 31.823 -0.155 0.000 0.983 31 V HN 0.659 nan 8.190 nan 0.000 0.459 32 G N 6.255 114.931 108.800 -0.207 0.000 2.334 32 G HA2 0.084 4.044 3.960 -0.000 0.000 0.315 32 G HA3 0.084 4.044 3.960 -0.000 0.000 0.315 32 G C -3.396 171.319 174.900 -0.308 0.000 1.284 32 G CA -1.044 43.856 45.100 -0.334 0.000 0.985 32 G HN 0.526 nan 8.290 nan 0.000 0.504 33 P HA 0.398 nan 4.420 nan 0.000 0.265 33 P C 0.974 178.200 177.300 -0.123 0.000 1.193 33 P CA 2.051 65.027 63.100 -0.206 0.000 0.765 33 P CB 0.808 32.412 31.700 -0.160 0.000 0.823 34 G N 1.483 110.223 108.800 -0.100 0.000 2.148 34 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.254 34 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.254 34 G C 0.190 175.048 174.900 -0.070 0.000 0.981 34 G CA 0.414 45.475 45.100 -0.065 0.000 0.670 34 G HN 0.879 nan 8.290 nan 0.000 0.528 35 T N -4.043 110.445 114.554 -0.110 0.000 2.816 35 T HA 0.792 5.142 4.350 -0.000 0.000 0.299 35 T C -1.250 173.324 174.700 -0.209 0.000 1.230 35 T CA -0.032 61.995 62.100 -0.121 0.000 1.007 35 T CB 2.835 71.646 68.868 -0.095 0.000 1.289 35 T HN 0.901 nan 8.240 nan 0.000 0.508 36 K N 0.441 120.680 120.400 -0.269 0.000 2.542 36 K HA 0.668 4.988 4.320 -0.000 0.000 0.259 36 K C -1.693 174.637 176.600 -0.450 0.000 0.932 36 K CA -0.808 55.192 56.287 -0.479 0.000 0.820 36 K CB 1.735 33.682 32.500 -0.922 0.000 1.345 36 K HN 0.756 nan 8.250 nan 0.000 0.432 37 I N 4.026 124.337 120.570 -0.431 0.000 2.330 37 I HA 0.448 4.618 4.170 -0.000 0.000 0.289 37 I C -0.312 175.613 176.117 -0.320 0.000 1.001 37 I CA -0.674 60.410 61.300 -0.360 0.000 1.193 37 I CB 0.815 38.587 38.000 -0.380 0.000 1.345 37 I HN 0.555 nan 8.210 nan 0.000 0.461 38 F N 4.827 124.703 119.950 -0.123 0.000 2.375 38 F HA 0.333 4.860 4.527 -0.000 0.000 0.333 38 F C 0.819 176.601 175.800 -0.031 0.000 1.104 38 F CA -0.528 57.434 58.000 -0.063 0.000 1.149 38 F CB 0.666 39.634 39.000 -0.054 0.000 1.190 38 F HN 0.301 nan 8.300 nan 0.000 0.533 39 K N 2.852 123.373 120.400 0.202 0.000 2.295 39 K HA 0.158 4.478 4.320 -0.000 0.000 0.270 39 K C -1.680 175.008 176.600 0.147 0.000 1.011 39 K CA -0.988 55.390 56.287 0.152 0.000 0.953 39 K CB 0.456 33.028 32.500 0.121 0.000 0.956 39 K HN 0.188 nan 8.250 nan 0.000 0.477 40 P HA 0.009 nan 4.420 nan 0.000 0.217 40 P C -0.531 176.939 177.300 0.283 0.000 1.154 40 P CA 0.785 63.991 63.100 0.178 0.000 0.841 40 P CB 0.314 32.112 31.700 0.163 0.000 0.788 41 F N -0.157 119.822 119.950 0.050 0.000 3.098 41 F HA 0.331 4.858 4.527 -0.000 0.000 0.403 41 F C -1.489 174.336 175.800 0.043 0.000 1.195 41 F CA -0.818 57.192 58.000 0.016 0.000 1.220 41 F CB 0.043 39.060 39.000 0.028 0.000 2.443 41 F HN -0.282 nan 8.300 nan 0.000 0.632 42 N N 2.647 121.295 118.700 -0.088 0.000 2.346 42 N HA 0.585 5.324 4.740 -0.000 0.000 0.289 42 N C -0.547 174.933 175.510 -0.049 0.000 1.027 42 N CA -0.153 52.874 53.050 -0.039 0.000 0.864 42 N CB 1.921 40.444 38.487 0.061 0.000 1.370 42 N HN 0.490 nan 8.380 nan 0.000 0.481 43 c N -0.016 118.528 118.600 -0.093 0.000 3.809 43 c HA 0.658 5.227 4.570 -0.000 0.000 0.342 43 c C 0.698 174.767 174.090 -0.035 0.000 2.837 43 c CA -0.033 56.257 56.329 -0.064 0.000 1.561 43 c CB -0.917 41.464 42.510 -0.215 0.000 3.062 43 c HN 0.966 nan 8.230 nan 0.000 0.382 44 G N 2.304 111.098 108.800 -0.011 0.000 2.545 44 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 44 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 44 G C 0.412 175.321 174.900 0.016 0.000 1.314 44 G CA 0.220 45.321 45.100 0.002 0.000 0.906 44 G HN 1.636 nan 8.290 nan 0.000 0.563 45 L N -1.964 119.281 121.223 0.038 0.000 2.201 45 L HA 0.076 4.416 4.340 -0.000 0.000 0.212 45 L C 2.453 179.431 176.870 0.181 0.000 1.105 45 L CA 2.332 57.216 54.840 0.075 0.000 0.775 45 L CB -0.511 41.602 42.059 0.088 0.000 0.913 45 L HN 0.492 nan 8.230 nan 0.000 0.440 46 Q N 0.397 120.301 119.800 0.173 0.000 2.083 46 Q HA -0.081 4.259 4.340 -0.000 0.000 0.198 46 Q C 2.451 178.673 176.000 0.370 0.000 0.969 46 Q CA 1.836 57.802 55.803 0.272 0.000 0.838 46 Q CB -0.771 28.059 28.738 0.153 0.000 0.900 46 Q HN 0.639 nan 8.270 nan 0.000 0.436 47 c N 0.826 119.522 118.600 0.160 0.000 2.432 47 c HA 0.027 4.597 4.570 -0.000 0.000 0.282 47 c C 2.661 176.941 174.090 0.316 0.000 1.388 47 c CA 0.382 56.814 56.329 0.171 0.000 1.777 47 c CB -1.144 41.181 42.510 -0.308 0.000 1.882 47 c HN 0.533 nan 8.230 nan 0.000 0.520 48 A N -0.457 122.450 122.820 0.146 0.000 2.131 48 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 48 A C 1.659 179.191 177.584 -0.086 0.000 1.158 48 A CA 1.236 53.283 52.037 0.017 0.000 0.665 48 A CB -0.793 18.157 19.000 -0.084 0.000 0.795 48 A HN 0.807 nan 8.150 nan 0.000 0.460 49 H N -2.544 116.512 119.070 -0.024 0.000 2.547 49 H HA 0.136 4.692 4.556 -0.000 0.000 0.274 49 H C -0.739 174.159 175.328 -0.716 0.000 1.024 49 H CA 0.341 56.179 56.048 -0.351 0.000 1.155 49 H CB -0.036 29.411 29.762 -0.525 0.000 1.344 49 H HN 0.496 nan 8.280 nan 0.000 0.598 50 F N 2.157 122.220 119.950 0.188 0.000 2.523 50 F HA 0.263 4.790 4.527 -0.000 0.000 0.322 50 F C -2.098 173.784 175.800 0.138 0.000 1.361 50 F CA -2.465 55.644 58.000 0.182 0.000 1.151 50 F CB 0.904 40.079 39.000 0.293 0.000 1.391 50 F HN -0.038 nan 8.300 nan 0.000 0.566 51 P HA 0.022 nan 4.420 nan 0.000 0.269 51 P C 0.329 177.706 177.300 0.127 0.000 1.209 51 P CA 0.279 63.450 63.100 0.118 0.000 0.776 51 P CB 0.826 32.555 31.700 0.049 0.000 0.876 52 N N -0.063 118.710 118.700 0.122 0.000 2.776 52 N HA -0.117 4.622 4.740 -0.000 0.000 0.250 52 N C -1.032 174.550 175.510 0.121 0.000 1.112 52 N CA 0.557 53.685 53.050 0.130 0.000 0.733 52 N CB -1.388 37.169 38.487 0.116 0.000 1.097 52 N HN 0.165 nan 8.380 nan 0.000 0.558 53 V N 0.933 120.896 119.914 0.080 0.000 2.483 53 V HA 0.435 4.555 4.120 -0.000 0.000 0.295 53 V C 0.385 176.442 176.094 -0.062 0.000 1.035 53 V CA -0.586 61.648 62.300 -0.111 0.000 0.896 53 V CB 1.858 33.466 31.823 -0.358 0.000 0.986 53 V HN 0.275 nan 8.190 nan 0.000 0.447 54 E N 4.132 124.266 120.200 -0.110 0.000 2.210 54 E HA 0.605 4.955 4.350 -0.000 0.000 0.266 54 E C -1.048 175.548 176.600 -0.006 0.000 0.883 54 E CA -0.978 55.435 56.400 0.021 0.000 0.761 54 E CB 2.272 32.036 29.700 0.106 0.000 1.156 54 E HN 0.455 nan 8.360 nan 0.000 0.412 55 L N 4.449 125.748 121.223 0.127 0.000 2.410 55 L HA 0.111 4.451 4.340 -0.000 0.000 0.273 55 L C 0.031 176.973 176.870 0.120 0.000 1.152 55 L CA -0.040 54.895 54.840 0.159 0.000 0.855 55 L CB 0.474 42.661 42.059 0.213 0.000 1.129 55 L HN 0.793 nan 8.230 nan 0.000 0.463 56 I N 2.585 123.228 120.570 0.122 0.000 2.512 56 I HA 0.250 4.420 4.170 -0.000 0.000 0.247 56 I C 0.634 176.818 176.117 0.111 0.000 1.094 56 I CA 0.724 62.087 61.300 0.106 0.000 1.427 56 I CB -0.711 37.346 38.000 0.095 0.000 1.149 56 I HN 0.785 nan 8.210 nan 0.000 0.438 57 E N 0.096 120.382 120.200 0.143 0.000 2.380 57 E HA 0.272 4.622 4.350 -0.000 0.000 0.281 57 E C -1.255 175.465 176.600 0.200 0.000 0.999 57 E CA -0.427 56.060 56.400 0.145 0.000 0.800 57 E CB 1.834 31.615 29.700 0.135 0.000 1.228 57 E HN 0.090 nan 8.360 nan 0.000 0.436 58 E N 2.117 122.406 120.200 0.149 0.000 2.222 58 E HA 0.503 4.853 4.350 -0.000 0.000 0.272 58 E C -0.987 175.725 176.600 0.187 0.000 0.982 58 E CA -0.702 55.760 56.400 0.102 0.000 0.842 58 E CB 1.229 30.928 29.700 -0.001 0.000 1.144 58 E HN 0.307 nan 8.360 nan 0.000 0.397 59 F N -0.450 119.537 119.950 0.063 0.000 2.599 59 F HA 0.650 5.177 4.527 -0.000 0.000 0.311 59 F C -0.860 175.004 175.800 0.106 0.000 1.076 59 F CA -1.119 56.916 58.000 0.058 0.000 0.937 59 F CB 1.332 40.342 39.000 0.016 0.000 1.282 59 F HN 0.480 nan 8.300 nan 0.000 0.460 60 H N 0.356 119.507 119.070 0.135 0.000 3.128 60 H HA 0.447 5.003 4.556 -0.000 0.000 0.336 60 H C -2.536 172.835 175.328 0.071 0.000 1.026 60 H CA -0.497 55.565 56.048 0.023 0.000 1.376 60 H CB 1.442 31.175 29.762 -0.048 0.000 1.882 60 H HN 0.817 nan 8.280 nan 0.000 0.479 61 D N 5.953 126.118 120.400 -0.393 0.000 2.686 61 D HA 0.249 4.889 4.640 -0.000 0.000 0.249 61 D C -2.465 173.610 176.300 -0.376 0.000 1.260 61 D CA -2.247 51.572 54.000 -0.301 0.000 0.910 61 D CB 2.970 43.740 40.800 -0.050 0.000 1.323 61 D HN 0.413 nan 8.370 nan 0.000 0.561 62 P HA 0.228 nan 4.420 nan 0.000 0.274 62 P C 0.921 178.290 177.300 0.114 0.000 1.352 62 P CA -0.099 62.875 63.100 -0.211 0.000 0.947 62 P CB 0.759 32.352 31.700 -0.179 0.000 1.437 63 R N -0.390 120.157 120.500 0.078 0.000 2.092 63 R HA 0.115 4.455 4.340 -0.000 0.000 0.231 63 R C 0.950 177.335 176.300 0.142 0.000 1.119 63 R CA 0.900 57.065 56.100 0.109 0.000 0.970 63 R CB -0.201 30.140 30.300 0.068 0.000 0.864 63 R HN 0.247 nan 8.270 nan 0.000 0.440 64 L N -0.666 120.659 121.223 0.169 0.000 2.323 64 L HA 0.223 4.563 4.340 -0.000 0.000 0.265 64 L C 0.812 177.776 176.870 0.157 0.000 1.012 64 L CA -0.671 54.255 54.840 0.144 0.000 0.820 64 L CB 1.534 43.690 42.059 0.161 0.000 1.334 64 L HN -0.113 nan 8.230 nan 0.000 0.427 65 I N 0.459 121.037 120.570 0.014 0.000 2.454 65 I HA -0.186 3.984 4.170 -0.000 0.000 0.254 65 I C 1.424 177.474 176.117 -0.112 0.000 1.156 65 I CA 1.828 63.035 61.300 -0.155 0.000 1.433 65 I CB -0.089 37.737 38.000 -0.290 0.000 1.082 65 I HN 0.448 nan 8.210 nan 0.000 0.432 66 F N 0.293 120.326 119.950 0.138 0.000 2.692 66 F HA 0.164 4.691 4.527 -0.000 0.000 0.303 66 F C 0.919 176.823 175.800 0.173 0.000 1.114 66 F CA -0.437 57.663 58.000 0.167 0.000 1.361 66 F CB -0.517 38.575 39.000 0.154 0.000 1.063 66 F HN -0.050 nan 8.300 nan 0.000 0.550 67 D N 0.174 120.743 120.400 0.281 0.000 2.358 67 D HA 0.326 4.965 4.640 -0.000 0.000 0.244 67 D C 0.160 176.551 176.300 0.152 0.000 1.163 67 D CA 0.267 54.386 54.000 0.199 0.000 0.945 67 D CB 1.609 42.487 40.800 0.131 0.000 1.152 67 D HN -0.032 nan 8.370 nan 0.000 0.451 68 V N -2.426 117.572 119.914 0.140 0.000 3.126 68 V HA 0.881 5.001 4.120 -0.000 0.000 0.314 68 V C -0.256 175.906 176.094 0.113 0.000 1.138 68 V CA -0.602 61.782 62.300 0.140 0.000 1.034 68 V CB 2.049 34.017 31.823 0.242 0.000 1.075 68 V HN 0.455 nan 8.190 nan 0.000 0.442 69 S N -0.441 115.253 115.700 -0.010 0.000 2.661 69 S HA 1.054 5.524 4.470 -0.000 0.000 0.285 69 S C 0.008 174.178 174.600 -0.716 0.000 1.138 69 S CA -0.032 58.010 58.200 -0.263 0.000 0.855 69 S CB 1.682 64.793 63.200 -0.148 0.000 1.136 69 S HN 1.957 nan 8.310 nan 0.000 0.484 70 G N 0.087 108.074 108.800 -1.355 0.000 2.333 70 G HA2 0.464 4.424 3.960 -0.000 0.000 0.288 70 G HA3 0.464 4.424 3.960 -0.000 0.000 0.288 70 G C -2.331 171.947 174.900 -1.035 0.000 1.286 70 G CA -0.457 43.948 45.100 -1.159 0.000 0.865 70 G HN 1.102 nan 8.290 nan 0.000 0.506 71 Y N -1.793 118.258 120.300 -0.415 0.000 2.615 71 Y HA 0.871 5.421 4.550 -0.000 0.000 0.341 71 Y C -1.398 174.593 175.900 0.151 0.000 1.089 71 Y CA -1.714 56.355 58.100 -0.053 0.000 1.049 71 Y CB 1.953 40.394 38.460 -0.032 0.000 1.296 71 Y HN 0.917 nan 8.280 nan 0.000 0.470 72 L N 2.588 124.013 121.223 0.336 0.000 2.362 72 L HA 0.991 5.331 4.340 -0.000 0.000 0.275 72 L C -1.029 175.998 176.870 0.262 0.000 0.998 72 L CA -0.749 54.209 54.840 0.196 0.000 0.820 72 L CB 1.367 43.506 42.059 0.133 0.000 1.270 72 L HN 1.088 nan 8.230 nan 0.000 0.415 73 A N 3.953 126.886 122.820 0.188 0.000 2.566 73 A HA 0.877 5.197 4.320 -0.000 0.000 0.292 73 A C -1.745 175.742 177.584 -0.160 0.000 1.112 73 A CA -0.592 51.482 52.037 0.062 0.000 0.707 73 A CB 1.910 20.956 19.000 0.077 0.000 1.302 73 A HN 0.477 nan 8.150 nan 0.000 0.409 74 V N 1.560 121.295 119.914 -0.298 0.000 2.540 74 V HA 0.444 4.564 4.120 -0.000 0.000 0.302 74 V C -1.101 174.605 176.094 -0.647 0.000 1.035 74 V CA -0.487 61.497 62.300 -0.527 0.000 0.873 74 V CB 1.828 33.271 31.823 -0.634 0.000 0.992 74 V HN 0.883 nan 8.190 nan 0.000 0.428 75 D N 2.548 122.517 120.400 -0.718 0.000 2.454 75 D HA 0.269 4.909 4.640 -0.000 0.000 0.225 75 D C 0.839 176.850 176.300 -0.482 0.000 1.081 75 D CA -0.299 53.388 54.000 -0.522 0.000 0.864 75 D CB 0.782 41.281 40.800 -0.503 0.000 1.040 75 D HN 0.580 nan 8.370 nan 0.000 0.517 76 H N 2.238 121.218 119.070 -0.150 0.000 2.524 76 H HA 0.034 4.590 4.556 -0.000 0.000 0.282 76 H C 1.420 176.676 175.328 -0.120 0.000 1.016 76 H CA 0.933 56.920 56.048 -0.102 0.000 1.270 76 H CB 0.455 30.216 29.762 -0.002 0.000 1.394 76 H HN 0.502 nan 8.280 nan 0.000 0.568 77 A N 0.718 123.536 122.820 -0.002 0.000 1.935 77 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 77 A C 2.428 179.978 177.584 -0.056 0.000 1.178 77 A CA 1.224 53.259 52.037 -0.003 0.000 0.640 77 A CB -0.144 18.874 19.000 0.030 0.000 0.825 77 A HN 0.410 nan 8.150 nan 0.000 0.447 78 S N -1.862 113.779 115.700 -0.099 0.000 2.535 78 S HA 0.241 4.711 4.470 -0.000 0.000 0.214 78 S C 0.357 174.806 174.600 -0.252 0.000 0.980 78 S CA 0.462 58.603 58.200 -0.099 0.000 0.907 78 S CB -0.068 63.140 63.200 0.013 0.000 0.790 78 S HN 0.338 nan 8.310 nan 0.000 0.510 79 K N 0.939 121.031 120.400 -0.513 0.000 3.372 79 K HA -0.148 4.172 4.320 -0.000 0.000 0.272 79 K C -0.610 175.458 176.600 -0.888 0.000 1.037 79 K CA 0.736 56.345 56.287 -1.131 0.000 0.777 79 K CB -2.118 29.947 32.500 -0.726 0.000 1.347 79 K HN 0.711 nan 8.250 nan 0.000 0.460 80 Q N -0.354 119.032 119.800 -0.691 0.000 2.456 80 Q HA 0.648 4.988 4.340 -0.000 0.000 0.283 80 Q C -0.549 175.200 176.000 -0.418 0.000 1.084 80 Q CA -1.091 54.485 55.803 -0.378 0.000 0.801 80 Q CB 2.279 30.820 28.738 -0.329 0.000 1.434 80 Q HN 0.231 nan 8.270 nan 0.000 0.419 81 I N 1.875 122.302 120.570 -0.238 0.000 2.378 81 I HA 0.335 4.505 4.170 -0.000 0.000 0.291 81 I C -1.294 174.723 176.117 -0.167 0.000 0.992 81 I CA -0.729 60.432 61.300 -0.232 0.000 1.154 81 I CB 0.712 38.687 38.000 -0.042 0.000 1.315 81 I HN 0.444 nan 8.210 nan 0.000 0.448 82 Y N 6.291 126.557 120.300 -0.057 0.000 2.341 82 Y HA 0.552 5.102 4.550 -0.000 0.000 0.337 82 Y C -0.345 175.474 175.900 -0.134 0.000 1.014 82 Y CA -1.203 56.853 58.100 -0.074 0.000 1.111 82 Y CB 1.518 39.916 38.460 -0.103 0.000 1.194 82 Y HN 0.327 nan 8.280 nan 0.000 0.462 83 L N 4.220 125.452 121.223 0.015 0.000 2.325 83 L HA 0.807 5.147 4.340 -0.000 0.000 0.281 83 L C -1.438 175.293 176.870 -0.230 0.000 1.004 83 L CA -0.678 54.074 54.840 -0.147 0.000 0.823 83 L CB 1.364 43.272 42.059 -0.251 0.000 1.236 83 L HN 0.397 nan 8.230 nan 0.000 0.415 84 V N 6.549 126.216 119.914 -0.412 0.000 2.588 84 V HA 0.582 4.702 4.120 -0.000 0.000 0.304 84 V C -0.199 175.704 176.094 -0.317 0.000 1.042 84 V CA -0.407 61.613 62.300 -0.468 0.000 0.877 84 V CB 1.894 33.125 31.823 -0.987 0.000 0.996 84 V HN 0.661 nan 8.190 nan 0.000 0.425 85 I N 5.118 125.588 120.570 -0.167 0.000 2.689 85 I HA 0.759 4.929 4.170 -0.000 0.000 0.299 85 I C -0.279 175.757 176.117 -0.135 0.000 1.059 85 I CA -0.810 60.449 61.300 -0.069 0.000 1.055 85 I CB 2.372 40.419 38.000 0.077 0.000 1.243 85 I HN 0.744 nan 8.210 nan 0.000 0.425 86 R N 2.616 123.010 120.500 -0.177 0.000 2.799 86 R HA 0.758 5.098 4.340 -0.000 0.000 0.270 86 R C -0.451 175.801 176.300 -0.080 0.000 1.010 86 R CA -0.970 55.002 56.100 -0.213 0.000 0.916 86 R CB 1.249 31.169 30.300 -0.632 0.000 1.228 86 R HN 0.640 nan 8.270 nan 0.000 0.469 87 G N 0.273 109.072 108.800 -0.001 0.000 2.398 87 G HA2 0.171 4.130 3.960 -0.000 0.000 0.246 87 G HA3 0.171 4.130 3.960 -0.000 0.000 0.246 87 G C 0.266 175.174 174.900 0.012 0.000 1.289 87 G CA -0.374 44.761 45.100 0.058 0.000 0.869 87 G HN 0.645 nan 8.290 nan 0.000 0.543 88 T N 1.704 116.246 114.554 -0.018 0.000 2.777 88 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 88 T C 1.065 175.659 174.700 -0.178 0.000 1.040 88 T CA 0.898 62.924 62.100 -0.123 0.000 1.141 88 T CB -0.189 68.513 68.868 -0.277 0.000 0.868 88 T HN 0.550 nan 8.240 nan 0.000 0.444 89 H N 1.716 120.810 119.070 0.040 0.000 2.546 89 H HA 0.324 4.880 4.556 -0.000 0.000 0.365 89 H C 0.812 176.179 175.328 0.065 0.000 1.220 89 H CA -0.339 55.733 56.048 0.039 0.000 1.386 89 H CB 0.505 30.264 29.762 -0.005 0.000 1.510 89 H HN 0.300 nan 8.280 nan 0.000 0.591 90 S N 1.333 117.150 115.700 0.195 0.000 2.561 90 S HA -0.057 4.413 4.470 -0.000 0.000 0.294 90 S C 1.705 176.387 174.600 0.137 0.000 1.294 90 S CA -0.502 57.786 58.200 0.146 0.000 1.055 90 S CB 0.202 63.469 63.200 0.112 0.000 0.819 90 S HN 0.542 nan 8.310 nan 0.000 0.503 91 L N 2.449 123.764 121.223 0.154 0.000 2.013 91 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 91 L C 3.348 180.277 176.870 0.098 0.000 1.073 91 L CA 2.350 57.288 54.840 0.164 0.000 0.753 91 L CB -1.568 40.628 42.059 0.228 0.000 0.890 91 L HN 0.983 nan 8.230 nan 0.000 0.432 92 E N 0.060 120.310 120.200 0.082 0.000 2.110 92 E HA -0.267 4.083 4.350 -0.000 0.000 0.193 92 E C 1.766 178.381 176.600 0.024 0.000 0.988 92 E CA 1.774 58.203 56.400 0.048 0.000 0.804 92 E CB -0.678 29.049 29.700 0.045 0.000 0.745 92 E HN 0.552 nan 8.360 nan 0.000 0.458 93 D N -0.063 120.352 120.400 0.026 0.000 2.144 93 D HA -0.073 4.567 4.640 -0.000 0.000 0.200 93 D C 2.120 178.389 176.300 -0.052 0.000 0.978 93 D CA 1.376 55.370 54.000 -0.010 0.000 0.833 93 D CB -0.116 40.678 40.800 -0.010 0.000 0.961 93 D HN 0.358 nan 8.370 nan 0.000 0.470 94 V N 1.180 121.065 119.914 -0.049 0.000 2.323 94 V HA -0.173 3.947 4.120 -0.000 0.000 0.244 94 V C 2.525 178.572 176.094 -0.079 0.000 1.041 94 V CA 0.993 63.215 62.300 -0.129 0.000 1.025 94 V CB -0.307 31.470 31.823 -0.077 0.000 0.656 94 V HN 0.125 nan 8.190 nan 0.000 0.451 95 I N 0.005 120.555 120.570 -0.033 0.000 2.226 95 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 95 I C 2.558 178.661 176.117 -0.023 0.000 1.100 95 I CA 1.771 63.046 61.300 -0.042 0.000 1.374 95 I CB -0.667 37.283 38.000 -0.082 0.000 1.057 95 I HN 0.297 nan 8.210 nan 0.000 0.413 96 T N -0.120 114.427 114.554 -0.012 0.000 2.684 96 T HA -0.261 4.089 4.350 -0.000 0.000 0.267 96 T C 1.760 176.481 174.700 0.035 0.000 1.036 96 T CA 1.827 63.932 62.100 0.010 0.000 1.148 96 T CB -0.371 68.503 68.868 0.009 0.000 0.863 96 T HN 0.431 nan 8.240 nan 0.000 0.436 97 D N 0.888 121.297 120.400 0.015 0.000 2.116 97 D HA -0.103 4.537 4.640 -0.000 0.000 0.193 97 D C 2.126 178.530 176.300 0.173 0.000 0.998 97 D CA 1.079 55.117 54.000 0.063 0.000 0.836 97 D CB -0.221 40.556 40.800 -0.037 0.000 0.951 97 D HN 0.366 nan 8.370 nan 0.000 0.449 98 I N 0.281 120.942 120.570 0.152 0.000 2.286 98 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 98 I C 2.555 178.769 176.117 0.161 0.000 1.115 98 I CA 0.910 62.337 61.300 0.213 0.000 1.392 98 I CB -0.105 37.965 38.000 0.117 0.000 1.065 98 I HN -0.065 nan 8.210 nan 0.000 0.418 99 R N -0.198 120.340 120.500 0.063 0.000 2.240 99 R HA 0.105 4.445 4.340 -0.000 0.000 0.203 99 R C 2.091 178.501 176.300 0.183 0.000 1.011 99 R CA 0.721 56.804 56.100 -0.028 0.000 1.007 99 R CB 0.216 30.499 30.300 -0.029 0.000 0.911 99 R HN 0.381 nan 8.270 nan 0.000 0.468 100 I N -0.493 120.246 120.570 0.281 0.000 3.790 100 I HA 0.110 4.280 4.170 -0.000 0.000 0.305 100 I C -0.168 176.151 176.117 0.336 0.000 1.253 100 I CA 0.068 61.547 61.300 0.299 0.000 1.355 100 I CB 0.728 38.822 38.000 0.157 0.000 1.137 100 I HN -0.010 nan 8.210 nan 0.000 0.435 101 M N 1.692 121.495 119.600 0.338 0.000 2.085 101 M HA 0.340 4.819 4.480 -0.000 0.000 0.309 101 M C -0.716 175.629 176.300 0.075 0.000 0.947 101 M CA -0.311 55.071 55.300 0.136 0.000 0.918 101 M CB 1.203 33.868 32.600 0.109 0.000 1.504 101 M HN 0.000 nan 8.290 nan 0.000 0.420 102 Q N 2.534 122.079 119.800 -0.424 0.000 2.386 102 Q HA 0.478 4.818 4.340 -0.000 0.000 0.282 102 Q C -0.454 175.339 176.000 -0.345 0.000 1.050 102 Q CA 0.413 55.831 55.803 -0.642 0.000 0.918 102 Q CB 0.457 28.643 28.738 -0.921 0.000 1.266 102 Q HN 0.833 nan 8.270 nan 0.000 0.423 103 A N 3.078 125.639 122.820 -0.432 0.000 2.354 103 A HA 0.700 5.020 4.320 -0.000 0.000 0.321 103 A C -2.403 174.957 177.584 -0.373 0.000 1.125 103 A CA -1.716 50.029 52.037 -0.486 0.000 0.799 103 A CB 0.601 19.049 19.000 -0.922 0.000 1.293 103 A HN 0.458 nan 8.150 nan 0.000 0.452 104 P HA 0.351 nan 4.420 nan 0.000 0.269 104 P C -1.053 176.123 177.300 -0.208 0.000 1.215 104 P CA 0.037 63.014 63.100 -0.205 0.000 0.780 104 P CB 0.279 31.883 31.700 -0.160 0.000 0.898 105 L N 1.965 123.096 121.223 -0.152 0.000 2.295 105 L HA 0.539 4.879 4.340 -0.000 0.000 0.285 105 L C 0.865 177.667 176.870 -0.114 0.000 1.035 105 L CA 0.178 54.936 54.840 -0.137 0.000 0.806 105 L CB 1.443 43.410 42.059 -0.153 0.000 1.214 105 L HN 0.478 nan 8.230 nan 0.000 0.426 106 T N -1.267 113.228 114.554 -0.097 0.000 2.916 106 T HA 0.391 4.741 4.350 -0.000 0.000 0.292 106 T C -0.308 174.359 174.700 -0.055 0.000 1.064 106 T CA -0.973 61.084 62.100 -0.071 0.000 1.011 106 T CB 1.482 70.315 68.868 -0.057 0.000 1.152 106 T HN 0.382 nan 8.240 nan 0.000 0.510 107 N N 0.356 119.027 118.700 -0.047 0.000 2.492 107 N HA 0.043 4.783 4.740 -0.000 0.000 0.260 107 N C 0.311 175.836 175.510 0.025 0.000 1.215 107 N CA -0.319 52.708 53.050 -0.038 0.000 0.923 107 N CB 0.527 38.974 38.487 -0.067 0.000 1.092 107 N HN 0.645 nan 8.380 nan 0.000 0.448 108 F N 2.909 122.765 119.950 -0.156 0.000 2.333 108 F HA -0.128 4.399 4.527 -0.000 0.000 0.300 108 F C 1.702 177.427 175.800 -0.124 0.000 1.083 108 F CA 0.990 58.907 58.000 -0.138 0.000 1.395 108 F CB -0.322 38.603 39.000 -0.125 0.000 1.056 108 F HN 0.629 nan 8.300 nan 0.000 0.529 109 D N -0.146 120.165 120.400 -0.148 0.000 2.378 109 D HA -0.202 4.438 4.640 -0.000 0.000 0.222 109 D C 1.802 177.994 176.300 -0.179 0.000 0.980 109 D CA 0.924 54.793 54.000 -0.219 0.000 0.907 109 D CB -1.004 39.701 40.800 -0.157 0.000 0.899 109 D HN 0.419 nan 8.370 nan 0.000 0.527 110 L N -0.429 120.722 121.223 -0.120 0.000 2.478 110 L HA 0.233 4.572 4.340 -0.000 0.000 0.223 110 L C 1.367 178.183 176.870 -0.090 0.000 1.140 110 L CA 0.030 54.819 54.840 -0.085 0.000 0.842 110 L CB -0.298 41.734 42.059 -0.044 0.000 0.953 110 L HN 0.070 nan 8.230 nan 0.000 0.452 111 A N 0.327 123.058 122.820 -0.149 0.000 2.286 111 A HA 0.642 4.962 4.320 -0.000 0.000 0.286 111 A C 0.444 177.920 177.584 -0.179 0.000 1.097 111 A CA -0.200 51.785 52.037 -0.087 0.000 0.821 111 A CB 0.412 19.374 19.000 -0.064 0.000 1.076 111 A HN 0.172 nan 8.150 nan 0.000 0.490 112 A N 0.861 123.598 122.820 -0.138 0.000 2.540 112 A HA 0.367 4.686 4.320 -0.000 0.000 0.239 112 A C 0.997 178.267 177.584 -0.523 0.000 1.061 112 A CA 0.815 52.610 52.037 -0.404 0.000 0.758 112 A CB -0.594 18.005 19.000 -0.668 0.000 0.991 112 A HN 1.595 nan 8.150 nan 0.000 0.502 113 N N -1.311 117.104 118.700 -0.474 0.000 2.900 113 N HA -0.142 4.598 4.740 -0.000 0.000 0.240 113 N C -0.483 174.879 175.510 -0.247 0.000 0.953 113 N CA 1.517 54.371 53.050 -0.327 0.000 0.950 113 N CB -1.006 37.275 38.487 -0.344 0.000 1.102 113 N HN 0.535 nan 8.380 nan 0.000 0.593 114 I N 0.685 121.066 120.570 -0.316 0.000 2.339 114 I HA 0.271 4.441 4.170 -0.000 0.000 0.290 114 I C 0.789 176.773 176.117 -0.221 0.000 0.994 114 I CA -0.604 60.495 61.300 -0.336 0.000 1.191 114 I CB 1.025 38.626 38.000 -0.666 0.000 1.343 114 I HN 0.065 nan 8.210 nan 0.000 0.458 115 S N 3.679 119.298 115.700 -0.136 0.000 2.584 115 S HA 0.147 4.617 4.470 -0.000 0.000 0.273 115 S C 1.458 176.004 174.600 -0.090 0.000 1.311 115 S CA -0.059 58.084 58.200 -0.094 0.000 1.034 115 S CB 0.833 64.001 63.200 -0.053 0.000 0.939 115 S HN 0.715 nan 8.310 nan 0.000 0.513 116 S N 2.638 118.289 115.700 -0.081 0.000 2.440 116 S HA -0.154 4.315 4.470 -0.000 0.000 0.238 116 S C 1.831 176.404 174.600 -0.046 0.000 1.010 116 S CA 1.632 59.789 58.200 -0.072 0.000 0.972 116 S CB -1.357 61.807 63.200 -0.060 0.000 0.774 116 S HN 0.982 nan 8.310 nan 0.000 0.501 117 T N -1.301 113.236 114.554 -0.028 0.000 3.035 117 T HA 0.355 4.705 4.350 -0.000 0.000 0.268 117 T C 1.682 176.403 174.700 0.035 0.000 1.109 117 T CA 0.677 62.776 62.100 -0.001 0.000 1.119 117 T CB -0.344 68.523 68.868 -0.002 0.000 0.900 117 T HN 0.540 nan 8.240 nan 0.000 0.503 118 A N 1.713 124.559 122.820 0.044 0.000 1.956 118 A HA 0.312 4.632 4.320 -0.000 0.000 0.212 118 A C 1.718 179.438 177.584 0.227 0.000 1.188 118 A CA 0.814 52.943 52.037 0.153 0.000 0.675 118 A CB -0.594 18.495 19.000 0.149 0.000 0.845 118 A HN 0.676 nan 8.150 nan 0.000 0.455 119 T N -1.776 112.751 114.554 -0.045 0.000 2.902 119 T HA 0.456 4.806 4.350 -0.000 0.000 0.280 119 T C 0.395 174.910 174.700 -0.308 0.000 0.992 119 T CA -0.304 61.533 62.100 -0.438 0.000 1.015 119 T CB 0.737 69.300 68.868 -0.509 0.000 1.044 119 T HN 0.795 nan 8.240 nan 0.000 0.520 120 C N 1.069 120.077 119.300 -0.486 0.000 2.422 120 C HA 0.518 4.977 4.460 -0.000 0.000 0.364 120 C C 1.561 176.451 174.990 -0.167 0.000 1.251 120 C CA -0.568 58.330 59.018 -0.200 0.000 2.441 120 C CB -0.084 27.583 27.740 -0.121 0.000 2.393 120 C HN 0.883 nan 8.230 nan 0.000 0.606 121 D N 0.078 120.427 120.400 -0.084 0.000 2.158 121 D HA -0.090 4.550 4.640 -0.000 0.000 0.197 121 D C 1.036 177.294 176.300 -0.070 0.000 0.995 121 D CA 2.080 56.039 54.000 -0.068 0.000 0.846 121 D CB -0.244 40.533 40.800 -0.038 0.000 0.941 121 D HN 0.843 nan 8.370 nan 0.000 0.456 122 D N -0.907 119.457 120.400 -0.061 0.000 2.525 122 D HA 0.058 4.698 4.640 -0.000 0.000 0.229 122 D C -0.635 175.643 176.300 -0.037 0.000 1.202 122 D CA -0.263 53.712 54.000 -0.040 0.000 0.828 122 D CB -0.287 40.507 40.800 -0.011 0.000 1.008 122 D HN 0.001 nan 8.370 nan 0.000 0.493 123 C N 2.141 121.383 119.300 -0.097 0.000 2.400 123 C HA 0.337 4.797 4.460 -0.000 0.000 0.457 123 C C 0.272 175.248 174.990 -0.024 0.000 1.020 123 C CA -0.749 58.223 59.018 -0.077 0.000 1.258 123 C CB -1.931 25.566 27.740 -0.406 0.000 1.532 123 C HN 0.276 nan 8.230 nan 0.000 0.537 124 L N 2.294 123.502 121.223 -0.026 0.000 2.322 124 L HA 0.806 5.146 4.340 -0.000 0.000 0.279 124 L C -0.214 176.511 176.870 -0.242 0.000 1.036 124 L CA -0.428 54.346 54.840 -0.110 0.000 0.807 124 L CB 1.218 43.209 42.059 -0.113 0.000 1.226 124 L HN 0.071 nan 8.230 nan 0.000 0.433 125 V N 0.626 120.390 119.914 -0.249 0.000 2.841 125 V HA 0.254 4.374 4.120 -0.000 0.000 0.310 125 V C -0.150 175.893 176.094 -0.085 0.000 1.090 125 V CA -0.797 61.313 62.300 -0.316 0.000 0.930 125 V CB 1.980 33.535 31.823 -0.447 0.000 1.014 125 V HN 0.693 nan 8.190 nan 0.000 0.425 126 H N 3.260 122.298 119.070 -0.053 0.000 3.094 126 H HA 0.027 4.583 4.556 -0.000 0.000 0.320 126 H C 1.082 176.271 175.328 -0.232 0.000 1.000 126 H CA 1.411 57.409 56.048 -0.084 0.000 1.413 126 H CB 0.639 30.296 29.762 -0.176 0.000 1.405 126 H HN 0.762 nan 8.280 nan 0.000 0.586 127 N N 2.429 120.940 118.700 -0.314 0.000 2.223 127 N HA -0.127 4.613 4.740 -0.000 0.000 0.185 127 N C 1.910 177.244 175.510 -0.294 0.000 1.016 127 N CA 0.690 53.594 53.050 -0.242 0.000 0.863 127 N CB 0.020 38.351 38.487 -0.261 0.000 0.983 127 N HN 0.743 nan 8.380 nan 0.000 0.429 128 G N 0.542 109.021 108.800 -0.535 0.000 2.402 128 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 128 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 128 G C 1.013 175.554 174.900 -0.598 0.000 1.162 128 G CA 0.396 44.726 45.100 -1.284 0.000 0.777 128 G HN 0.184 nan 8.290 nan 0.000 0.539 129 F N 0.816 120.695 119.950 -0.120 0.000 2.259 129 F HA 0.210 4.737 4.527 -0.000 0.000 0.298 129 F C 2.544 178.399 175.800 0.092 0.000 1.088 129 F CA -0.431 57.574 58.000 0.008 0.000 1.358 129 F CB -0.602 38.374 39.000 -0.039 0.000 1.040 129 F HN 0.078 nan 8.300 nan 0.000 0.505 130 I N -0.192 120.509 120.570 0.218 0.000 2.226 130 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 130 I C 2.566 178.855 176.117 0.287 0.000 1.100 130 I CA 1.387 62.855 61.300 0.279 0.000 1.374 130 I CB -0.381 37.734 38.000 0.192 0.000 1.057 130 I HN 0.133 nan 8.210 nan 0.000 0.413 131 Q N 1.228 121.125 119.800 0.161 0.000 2.124 131 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 131 Q C 2.267 178.409 176.000 0.238 0.000 0.977 131 Q CA 2.466 58.364 55.803 0.158 0.000 0.850 131 Q CB -0.341 28.459 28.738 0.104 0.000 0.901 131 Q HN 0.554 nan 8.270 nan 0.000 0.429 132 S N -0.948 114.945 115.700 0.322 0.000 2.383 132 S HA -0.201 4.269 4.470 -0.000 0.000 0.227 132 S C 2.002 176.798 174.600 0.327 0.000 1.026 132 S CA 0.998 59.410 58.200 0.353 0.000 0.981 132 S CB -0.921 62.542 63.200 0.438 0.000 0.818 132 S HN 0.608 nan 8.310 nan 0.000 0.472 133 Y N 2.791 123.263 120.300 0.287 0.000 2.163 133 Y HA -0.009 4.541 4.550 -0.000 0.000 0.288 133 Y C 2.213 178.291 175.900 0.297 0.000 1.136 133 Y CA 1.842 60.138 58.100 0.327 0.000 1.147 133 Y CB -1.010 37.661 38.460 0.351 0.000 0.987 133 Y HN 0.266 nan 8.280 nan 0.000 0.509 134 N N 0.658 119.352 118.700 -0.009 0.000 2.120 134 N HA -0.217 4.523 4.740 -0.000 0.000 0.188 134 N C 1.604 177.076 175.510 -0.063 0.000 1.024 134 N CA 1.540 54.507 53.050 -0.140 0.000 0.852 134 N CB -0.578 37.940 38.487 0.052 0.000 1.003 134 N HN 0.456 nan 8.380 nan 0.000 0.424 135 N N -0.849 117.872 118.700 0.035 0.000 2.289 135 N HA -0.055 4.685 4.740 -0.000 0.000 0.184 135 N C 1.208 176.723 175.510 0.009 0.000 1.016 135 N CA 1.285 54.368 53.050 0.054 0.000 0.872 135 N CB -0.184 38.373 38.487 0.117 0.000 0.973 135 N HN 0.183 nan 8.380 nan 0.000 0.433 136 T N -0.998 113.562 114.554 0.010 0.000 2.701 136 T HA -0.134 4.216 4.350 -0.000 0.000 0.263 136 T C 1.506 176.125 174.700 -0.134 0.000 1.040 136 T CA 1.179 63.219 62.100 -0.099 0.000 1.147 136 T CB -0.669 68.263 68.868 0.107 0.000 0.865 136 T HN 0.323 nan 8.240 nan 0.000 0.426 137 Y N 2.565 122.776 120.300 -0.147 0.000 2.165 137 Y HA -0.177 4.373 4.550 -0.000 0.000 0.286 137 Y C 2.181 178.012 175.900 -0.115 0.000 1.155 137 Y CA 1.344 59.385 58.100 -0.099 0.000 1.164 137 Y CB -0.271 37.925 38.460 -0.439 0.000 0.978 137 Y HN 0.114 nan 8.280 nan 0.000 0.513 138 N N -0.037 118.687 118.700 0.040 0.000 2.457 138 N HA -0.105 4.635 4.740 -0.000 0.000 0.180 138 N C 1.364 176.820 175.510 -0.090 0.000 1.050 138 N CA 1.133 54.193 53.050 0.016 0.000 0.906 138 N CB -0.121 38.401 38.487 0.057 0.000 0.968 138 N HN 0.621 nan 8.380 nan 0.000 0.445 139 Q N -0.782 118.915 119.800 -0.171 0.000 2.339 139 Q HA 0.167 4.506 4.340 -0.000 0.000 0.205 139 Q C 0.812 176.628 176.000 -0.308 0.000 0.925 139 Q CA 0.540 56.224 55.803 -0.200 0.000 0.898 139 Q CB 0.713 29.324 28.738 -0.211 0.000 1.013 139 Q HN 0.160 nan 8.270 nan 0.000 0.504 140 I N -1.379 118.926 120.570 -0.442 0.000 4.670 140 I HA 0.183 4.353 4.170 -0.000 0.000 0.339 140 I C 1.434 177.359 176.117 -0.320 0.000 1.310 140 I CA 0.201 61.255 61.300 -0.411 0.000 1.288 140 I CB 0.704 38.286 38.000 -0.698 0.000 1.427 140 I HN 0.047 nan 8.210 nan 0.000 0.494 141 G N 2.025 110.567 108.800 -0.430 0.000 2.446 141 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.217 141 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.217 141 G C -0.648 174.067 174.900 -0.308 0.000 1.168 141 G CA 1.139 45.927 45.100 -0.521 0.000 0.771 141 G HN 0.277 nan 8.290 nan 0.000 0.551 142 P HA 0.005 nan 4.420 nan 0.000 0.217 142 P C 1.704 178.958 177.300 -0.075 0.000 1.151 142 P CA 1.318 64.346 63.100 -0.120 0.000 0.828 142 P CB 0.093 31.740 31.700 -0.089 0.000 0.788 143 K N 0.126 120.475 120.400 -0.085 0.000 2.026 143 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 143 K C 1.885 178.464 176.600 -0.035 0.000 1.048 143 K CA 1.212 57.472 56.287 -0.045 0.000 0.929 143 K CB -1.426 31.054 32.500 -0.034 0.000 0.713 143 K HN -0.069 nan 8.250 nan 0.000 0.439 144 L N 1.240 122.427 121.223 -0.060 0.000 2.013 144 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 144 L C 1.552 178.414 176.870 -0.014 0.000 1.073 144 L CA 2.148 56.967 54.840 -0.035 0.000 0.753 144 L CB -0.843 41.195 42.059 -0.036 0.000 0.890 144 L HN 0.263 nan 8.230 nan 0.000 0.432 145 D N -0.783 119.610 120.400 -0.012 0.000 2.149 145 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 145 D C 2.389 178.696 176.300 0.012 0.000 0.990 145 D CA 1.618 55.626 54.000 0.013 0.000 0.839 145 D CB -0.088 40.731 40.800 0.032 0.000 0.948 145 D HN 0.629 nan 8.370 nan 0.000 0.460 146 S N -0.217 115.483 115.700 -0.000 0.000 2.402 146 S HA -0.088 4.382 4.470 -0.000 0.000 0.229 146 S C 2.224 176.819 174.600 -0.008 0.000 1.021 146 S CA 0.685 58.882 58.200 -0.006 0.000 0.974 146 S CB -0.489 62.706 63.200 -0.008 0.000 0.800 146 S HN 0.072 nan 8.310 nan 0.000 0.484 147 V N 1.983 121.908 119.914 0.018 0.000 2.427 147 V HA -0.046 4.074 4.120 -0.000 0.000 0.248 147 V C 2.420 178.555 176.094 0.069 0.000 1.051 147 V CA 1.569 63.908 62.300 0.066 0.000 1.048 147 V CB -0.680 31.196 31.823 0.089 0.000 0.666 147 V HN 0.487 nan 8.190 nan 0.000 0.456 148 I N 0.095 120.688 120.570 0.039 0.000 2.226 148 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 148 I C 2.576 178.706 176.117 0.022 0.000 1.100 148 I CA 1.914 63.240 61.300 0.045 0.000 1.374 148 I CB -0.289 37.725 38.000 0.023 0.000 1.057 148 I HN 0.416 nan 8.210 nan 0.000 0.413 149 E N 0.807 121.005 120.200 -0.002 0.000 2.077 149 E HA -0.278 4.072 4.350 -0.000 0.000 0.193 149 E C 2.187 178.710 176.600 -0.127 0.000 0.989 149 E CA 1.293 57.672 56.400 -0.036 0.000 0.800 149 E CB 0.042 29.725 29.700 -0.027 0.000 0.746 149 E HN 0.518 nan 8.360 nan 0.000 0.452 150 Q N -1.029 118.640 119.800 -0.219 0.000 2.119 150 Q HA -0.135 4.205 4.340 -0.000 0.000 0.201 150 Q C 0.062 175.589 176.000 -0.788 0.000 0.972 150 Q CA 0.957 56.454 55.803 -0.510 0.000 0.847 150 Q CB 0.169 28.498 28.738 -0.681 0.000 0.903 150 Q HN 0.363 nan 8.270 nan 0.000 0.433 151 Y N -0.356 119.829 120.300 -0.192 0.000 2.562 151 Y HA 0.226 4.776 4.550 -0.000 0.000 0.363 151 Y C -1.804 173.999 175.900 -0.161 0.000 0.991 151 Y CA -2.352 55.540 58.100 -0.346 0.000 1.121 151 Y CB 0.971 38.993 38.460 -0.730 0.000 1.159 151 Y HN 0.070 nan 8.280 nan 0.000 0.651 152 P HA -0.107 nan 4.420 nan 0.000 0.229 152 P C 0.525 177.902 177.300 0.128 0.000 1.160 152 P CA 1.302 64.445 63.100 0.072 0.000 0.777 152 P CB 0.479 32.202 31.700 0.039 0.000 0.814 153 D N -2.417 118.085 120.400 0.169 0.000 2.354 153 D HA -0.073 4.567 4.640 -0.000 0.000 0.209 153 D C 0.397 176.892 176.300 0.325 0.000 1.015 153 D CA -0.055 54.075 54.000 0.218 0.000 0.867 153 D CB -0.696 40.230 40.800 0.211 0.000 0.933 153 D HN 0.078 nan 8.370 nan 0.000 0.520 154 Y N 1.927 122.283 120.300 0.094 0.000 2.346 154 Y HA 0.182 4.731 4.550 -0.000 0.000 0.330 154 Y C 1.109 177.031 175.900 0.037 0.000 1.178 154 Y CA -1.343 56.780 58.100 0.038 0.000 1.331 154 Y CB 0.355 38.804 38.460 -0.018 0.000 1.253 154 Y HN -0.051 nan 8.280 nan 0.000 0.529 155 Q N 2.980 122.854 119.800 0.123 0.000 2.304 155 Q HA 0.356 4.696 4.340 -0.000 0.000 0.260 155 Q C -1.064 174.999 176.000 0.105 0.000 0.965 155 Q CA -0.371 55.499 55.803 0.113 0.000 0.898 155 Q CB 0.456 29.255 28.738 0.102 0.000 1.196 155 Q HN 0.639 nan 8.270 nan 0.000 0.402 156 I N 3.203 123.844 120.570 0.118 0.000 2.371 156 I HA 0.372 4.542 4.170 -0.000 0.000 0.290 156 I C -0.204 175.997 176.117 0.140 0.000 1.028 156 I CA -0.340 61.023 61.300 0.105 0.000 1.345 156 I CB 1.392 39.445 38.000 0.089 0.000 1.407 156 I HN 0.622 nan 8.210 nan 0.000 0.501 157 A N 6.570 129.496 122.820 0.176 0.000 2.331 157 A HA 0.809 5.129 4.320 -0.000 0.000 0.320 157 A C -0.820 176.848 177.584 0.140 0.000 1.138 157 A CA -0.514 51.633 52.037 0.183 0.000 0.790 157 A CB 1.379 20.576 19.000 0.328 0.000 1.206 157 A HN 0.441 nan 8.150 nan 0.000 0.470 158 V N 1.620 121.572 119.914 0.062 0.000 2.487 158 V HA 0.771 4.891 4.120 -0.000 0.000 0.298 158 V C 0.187 176.271 176.094 -0.018 0.000 1.028 158 V CA -0.270 62.047 62.300 0.029 0.000 0.860 158 V CB 1.557 33.438 31.823 0.098 0.000 0.991 158 V HN 1.024 nan 8.190 nan 0.000 0.427 159 T N 2.605 117.136 114.554 -0.039 0.000 2.883 159 T HA 0.897 5.247 4.350 -0.000 0.000 0.296 159 T C -0.448 174.223 174.700 -0.048 0.000 1.117 159 T CA 0.118 62.193 62.100 -0.042 0.000 1.006 159 T CB 1.997 70.865 68.868 -0.000 0.000 1.191 159 T HN 1.261 nan 8.240 nan 0.000 0.508 160 G N 1.533 110.316 108.800 -0.028 0.000 2.616 160 G HA2 0.438 4.398 3.960 -0.000 0.000 0.294 160 G HA3 0.438 4.398 3.960 -0.000 0.000 0.294 160 G C -2.008 172.897 174.900 0.009 0.000 1.489 160 G CA -0.645 44.442 45.100 -0.021 0.000 0.836 160 G HN 0.924 nan 8.290 nan 0.000 0.527 161 H N 0.898 119.928 119.070 -0.067 0.000 2.472 161 H HA 0.690 5.246 4.556 -0.000 0.000 0.338 161 H C 0.681 175.996 175.328 -0.020 0.000 1.133 161 H CA 0.667 56.657 56.048 -0.096 0.000 1.216 161 H CB 1.866 31.616 29.762 -0.019 0.000 1.497 161 H HN 1.075 nan 8.280 nan 0.000 0.500 162 S N 2.293 117.651 115.700 -0.570 0.000 3.987 162 S HA -0.312 4.158 4.470 -0.000 0.000 0.627 162 S C 1.335 175.869 174.600 -0.109 0.000 2.101 162 S CA 0.901 58.927 58.200 -0.291 0.000 4.035 162 S CB -1.254 61.800 63.200 -0.244 0.000 0.223 162 S HN 0.655 nan 8.310 nan 0.000 0.734 163 L N 2.765 123.985 121.223 -0.005 0.000 2.079 163 L HA 0.143 4.483 4.340 -0.000 0.000 0.210 163 L C 2.474 179.364 176.870 0.034 0.000 1.081 163 L CA 3.146 58.017 54.840 0.052 0.000 0.752 163 L CB -1.383 40.765 42.059 0.148 0.000 0.896 163 L HN 0.778 nan 8.230 nan 0.000 0.433 164 G N -1.218 107.592 108.800 0.017 0.000 2.450 164 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 164 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 164 G C 1.504 176.404 174.900 0.001 0.000 1.130 164 G CA 0.609 45.718 45.100 0.015 0.000 0.760 164 G HN 0.600 nan 8.290 nan 0.000 0.557 165 G N 0.940 109.709 108.800 -0.051 0.000 2.408 165 G HA2 0.098 4.057 3.960 -0.000 0.000 0.217 165 G HA3 0.098 4.057 3.960 -0.000 0.000 0.217 165 G C 2.026 176.888 174.900 -0.064 0.000 1.150 165 G CA 1.383 46.446 45.100 -0.061 0.000 0.776 165 G HN 0.600 nan 8.290 nan 0.000 0.542 166 A N 1.214 123.947 122.820 -0.145 0.000 1.902 166 A HA 0.269 4.589 4.320 -0.000 0.000 0.217 166 A C 2.795 180.371 177.584 -0.013 0.000 1.181 166 A CA 2.250 54.146 52.037 -0.236 0.000 0.623 166 A CB -0.748 17.841 19.000 -0.685 0.000 0.818 166 A HN 0.731 nan 8.150 nan 0.000 0.443 167 A N -0.239 122.637 122.820 0.094 0.000 1.898 167 A HA 0.220 4.540 4.320 -0.000 0.000 0.216 167 A C 2.490 180.262 177.584 0.313 0.000 1.181 167 A CA 1.893 54.093 52.037 0.272 0.000 0.620 167 A CB -0.964 18.202 19.000 0.276 0.000 0.819 167 A HN 1.031 nan 8.150 nan 0.000 0.442 168 A N -0.367 122.566 122.820 0.189 0.000 1.902 168 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 168 A C 2.116 179.820 177.584 0.200 0.000 1.181 168 A CA 1.766 53.916 52.037 0.187 0.000 0.623 168 A CB -0.608 18.433 19.000 0.069 0.000 0.818 168 A HN 0.698 nan 8.150 nan 0.000 0.443 169 L N -0.307 120.988 121.223 0.120 0.000 2.046 169 L HA -0.083 4.256 4.340 -0.000 0.000 0.208 169 L C 2.215 179.187 176.870 0.169 0.000 1.077 169 L CA 1.711 56.610 54.840 0.100 0.000 0.747 169 L CB -0.528 41.567 42.059 0.059 0.000 0.896 169 L HN 0.395 nan 8.230 nan 0.000 0.432 170 L N -2.027 119.289 121.223 0.155 0.000 2.156 170 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 170 L C 2.389 179.351 176.870 0.154 0.000 1.095 170 L CA 1.092 55.944 54.840 0.020 0.000 0.770 170 L CB -0.494 41.507 42.059 -0.096 0.000 0.914 170 L HN 0.250 nan 8.230 nan 0.000 0.439 171 F N 0.545 120.686 119.950 0.319 0.000 2.186 171 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 171 F C 2.289 178.278 175.800 0.315 0.000 1.090 171 F CA 1.303 59.577 58.000 0.457 0.000 1.307 171 F CB -0.184 39.081 39.000 0.443 0.000 1.019 171 F HN 0.006 nan 8.300 nan 0.000 0.489 172 G N 0.524 109.609 108.800 0.475 0.000 2.421 172 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 172 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 172 G C 1.709 176.834 174.900 0.375 0.000 1.171 172 G CA 1.164 46.505 45.100 0.403 0.000 0.775 172 G HN 0.411 nan 8.290 nan 0.000 0.543 173 I N 1.272 122.057 120.570 0.358 0.000 2.163 173 I HA -0.238 3.931 4.170 -0.000 0.000 0.243 173 I C 2.665 178.927 176.117 0.243 0.000 1.085 173 I CA 1.519 63.013 61.300 0.323 0.000 1.347 173 I CB -0.363 37.891 38.000 0.424 0.000 1.044 173 I HN 0.268 nan 8.210 nan 0.000 0.408 174 N N 1.695 120.505 118.700 0.182 0.000 2.037 174 N HA -0.244 4.496 4.740 -0.000 0.000 0.196 174 N C 1.790 177.357 175.510 0.095 0.000 1.034 174 N CA 2.010 55.076 53.050 0.027 0.000 0.861 174 N CB -0.526 37.868 38.487 -0.155 0.000 1.039 174 N HN 0.286 nan 8.380 nan 0.000 0.427 175 L N -0.755 120.566 121.223 0.164 0.000 2.083 175 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 175 L C 2.524 179.526 176.870 0.220 0.000 1.083 175 L CA 1.280 56.281 54.840 0.269 0.000 0.752 175 L CB -0.424 41.813 42.059 0.296 0.000 0.899 175 L HN 0.276 nan 8.230 nan 0.000 0.433 176 K N 0.432 120.896 120.400 0.106 0.000 2.103 176 K HA -0.106 4.214 4.320 -0.000 0.000 0.204 176 K C 1.823 178.376 176.600 -0.079 0.000 1.052 176 K CA 1.382 57.638 56.287 -0.052 0.000 0.945 176 K CB -0.080 32.254 32.500 -0.276 0.000 0.722 176 K HN 0.241 nan 8.250 nan 0.000 0.443 177 V N -1.559 118.341 119.914 -0.023 0.000 3.217 177 V HA 0.056 4.176 4.120 -0.000 0.000 0.264 177 V C 0.272 176.363 176.094 -0.005 0.000 1.135 177 V CA 1.347 63.642 62.300 -0.008 0.000 1.142 177 V CB -0.710 31.170 31.823 0.096 0.000 0.754 177 V HN 0.237 nan 8.190 nan 0.000 0.484 178 N N 0.973 119.683 118.700 0.017 0.000 2.380 178 N HA 0.511 5.251 4.740 -0.000 0.000 0.255 178 N C 1.085 176.519 175.510 -0.127 0.000 1.158 178 N CA 0.516 53.565 53.050 -0.001 0.000 0.878 178 N CB 0.826 39.363 38.487 0.082 0.000 1.138 178 N HN 0.655 nan 8.380 nan 0.000 0.509 179 G N 0.174 108.882 108.800 -0.153 0.000 2.157 179 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.248 179 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.248 179 G C -0.210 174.482 174.900 -0.347 0.000 0.979 179 G CA -0.029 44.920 45.100 -0.252 0.000 0.650 179 G HN 0.491 nan 8.290 nan 0.000 0.529 180 H N -0.701 118.379 119.070 0.018 0.000 2.630 180 H HA 0.666 5.221 4.556 -0.000 0.000 0.343 180 H C -0.622 174.716 175.328 0.017 0.000 1.232 180 H CA -0.371 55.700 56.048 0.039 0.000 1.294 180 H CB 1.528 31.340 29.762 0.083 0.000 1.746 180 H HN 0.040 nan 8.280 nan 0.000 0.593 181 D N 1.640 122.147 120.400 0.180 0.000 2.502 181 D HA 0.198 4.838 4.640 -0.000 0.000 0.301 181 D C -2.615 173.768 176.300 0.138 0.000 1.202 181 D CA -1.891 52.166 54.000 0.096 0.000 0.878 181 D CB 0.305 41.148 40.800 0.071 0.000 1.062 181 D HN 0.283 nan 8.370 nan 0.000 0.499 182 P HA 0.238 nan 4.420 nan 0.000 0.276 182 P C -0.382 177.040 177.300 0.203 0.000 1.244 182 P CA -0.833 62.382 63.100 0.192 0.000 0.801 182 P CB 1.474 33.315 31.700 0.234 0.000 1.006 183 L N 2.610 123.936 121.223 0.171 0.000 2.312 183 L HA 0.385 4.725 4.340 -0.000 0.000 0.281 183 L C -0.863 176.057 176.870 0.083 0.000 1.070 183 L CA -0.330 54.602 54.840 0.152 0.000 0.805 183 L CB 1.038 43.181 42.059 0.141 0.000 1.174 183 L HN 0.079 nan 8.230 nan 0.000 0.434 184 V N 5.791 125.732 119.914 0.045 0.000 2.483 184 V HA 0.548 4.668 4.120 -0.000 0.000 0.297 184 V C -0.737 175.336 176.094 -0.035 0.000 1.027 184 V CA -0.599 61.686 62.300 -0.024 0.000 0.855 184 V CB 1.849 33.611 31.823 -0.102 0.000 0.995 184 V HN 0.550 nan 8.190 nan 0.000 0.424 185 V N 4.141 123.997 119.914 -0.097 0.000 2.482 185 V HA 0.600 4.720 4.120 -0.000 0.000 0.295 185 V C 0.171 176.239 176.094 -0.043 0.000 1.026 185 V CA -0.413 61.852 62.300 -0.058 0.000 0.856 185 V CB 2.236 33.894 31.823 -0.276 0.000 1.001 185 V HN 0.992 nan 8.190 nan 0.000 0.424 186 T N 3.341 117.885 114.554 -0.017 0.000 2.925 186 T HA 0.890 5.240 4.350 -0.000 0.000 0.285 186 T C -0.920 173.740 174.700 -0.068 0.000 1.021 186 T CA -0.703 61.372 62.100 -0.042 0.000 1.042 186 T CB 1.734 70.572 68.868 -0.049 0.000 1.037 186 T HN 0.259 nan 8.240 nan 0.000 0.481 187 L N 1.715 122.854 121.223 -0.140 0.000 2.410 187 L HA 0.680 5.020 4.340 -0.000 0.000 0.270 187 L C 1.010 177.587 176.870 -0.488 0.000 0.983 187 L CA -0.297 54.327 54.840 -0.360 0.000 0.822 187 L CB 1.843 43.660 42.059 -0.404 0.000 1.285 187 L HN 1.136 nan 8.230 nan 0.000 0.409 188 G N 1.196 109.688 108.800 -0.514 0.000 2.305 188 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.287 188 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.287 188 G C 0.139 175.029 174.900 -0.017 0.000 1.036 188 G CA 0.340 45.379 45.100 -0.101 0.000 0.887 188 G HN 0.667 nan 8.290 nan 0.000 0.505 189 Q N 0.598 120.371 119.800 -0.045 0.000 2.288 189 Q HA 0.388 4.728 4.340 -0.000 0.000 0.258 189 Q C -1.846 174.155 176.000 0.001 0.000 0.957 189 Q CA -1.896 53.869 55.803 -0.064 0.000 0.919 189 Q CB 1.645 30.346 28.738 -0.062 0.000 1.185 189 Q HN 0.327 nan 8.270 nan 0.000 0.408 190 P HA 0.065 nan 4.420 nan 0.000 0.273 190 P C -0.274 176.951 177.300 -0.126 0.000 1.250 190 P CA 0.006 63.020 63.100 -0.142 0.000 0.793 190 P CB 0.750 32.326 31.700 -0.208 0.000 1.011 191 I N 0.671 121.107 120.570 -0.223 0.000 2.471 191 I HA -0.007 4.163 4.170 -0.000 0.000 0.286 191 I C 1.776 177.946 176.117 0.089 0.000 1.079 191 I CA -0.222 60.913 61.300 -0.275 0.000 1.398 191 I CB 0.800 38.573 38.000 -0.378 0.000 1.403 191 I HN 0.088 nan 8.210 nan 0.000 0.530 192 V N 5.459 125.459 119.914 0.143 0.000 2.825 192 V HA 0.196 4.315 4.120 -0.000 0.000 0.246 192 V C 1.032 177.243 176.094 0.196 0.000 1.068 192 V CA 1.273 63.678 62.300 0.176 0.000 1.088 192 V CB 0.031 31.838 31.823 -0.026 0.000 0.733 192 V HN 0.981 nan 8.190 nan 0.000 0.468 193 G N -0.036 108.821 108.800 0.095 0.000 2.815 193 G HA2 0.375 4.335 3.960 -0.000 0.000 0.305 193 G HA3 0.375 4.335 3.960 -0.000 0.000 0.305 193 G C -1.059 173.767 174.900 -0.123 0.000 1.277 193 G CA -0.203 44.780 45.100 -0.195 0.000 0.795 193 G HN 0.283 nan 8.290 nan 0.000 0.528 194 N N -0.882 117.748 118.700 -0.116 0.000 2.566 194 N HA 0.512 5.252 4.740 -0.000 0.000 0.299 194 N C 1.484 177.050 175.510 0.094 0.000 1.277 194 N CA 0.260 53.255 53.050 -0.092 0.000 0.965 194 N CB 0.803 39.206 38.487 -0.140 0.000 1.142 194 N HN 0.673 nan 8.380 nan 0.000 0.596 195 A N -0.600 122.261 122.820 0.067 0.000 1.933 195 A HA 0.027 4.347 4.320 -0.000 0.000 0.218 195 A C 2.028 179.692 177.584 0.133 0.000 1.175 195 A CA 2.034 54.131 52.037 0.101 0.000 0.628 195 A CB -1.619 17.414 19.000 0.055 0.000 0.814 195 A HN 0.810 nan 8.150 nan 0.000 0.444 196 G N -1.210 107.659 108.800 0.114 0.000 2.418 196 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 196 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 196 G C 1.456 176.475 174.900 0.199 0.000 1.158 196 G CA 1.114 46.289 45.100 0.125 0.000 0.771 196 G HN 0.506 nan 8.290 nan 0.000 0.545 197 F N 2.469 122.456 119.950 0.061 0.000 2.069 197 F HA 0.002 4.529 4.527 -0.000 0.000 0.298 197 F C 2.783 178.737 175.800 0.256 0.000 1.113 197 F CA 1.692 59.768 58.000 0.128 0.000 1.214 197 F CB -0.353 38.667 39.000 0.034 0.000 0.978 197 F HN 0.222 nan 8.300 nan 0.000 0.474 198 A N 0.386 123.313 122.820 0.179 0.000 1.902 198 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 198 A C 2.025 179.663 177.584 0.090 0.000 1.181 198 A CA 1.801 53.888 52.037 0.085 0.000 0.623 198 A CB -0.913 18.215 19.000 0.213 0.000 0.818 198 A HN 0.534 nan 8.150 nan 0.000 0.443 199 N N -1.645 117.151 118.700 0.160 0.000 2.309 199 N HA -0.152 4.587 4.740 -0.000 0.000 0.182 199 N C 1.390 176.997 175.510 0.163 0.000 1.018 199 N CA 1.305 54.460 53.050 0.175 0.000 0.876 199 N CB -0.436 38.173 38.487 0.203 0.000 0.972 199 N HN 0.825 nan 8.380 nan 0.000 0.434 200 W N 1.569 122.842 121.300 -0.045 0.000 2.418 200 W HA -0.023 4.637 4.660 -0.000 0.000 0.292 200 W C 1.792 178.243 176.519 -0.113 0.000 1.213 200 W CA 0.564 57.870 57.345 -0.064 0.000 1.283 200 W CB -0.250 29.177 29.460 -0.055 0.000 1.119 200 W HN -0.262 nan 8.180 nan 0.000 0.542 201 V N 1.345 121.196 119.914 -0.104 0.000 2.332 201 V HA -0.331 3.789 4.120 -0.000 0.000 0.248 201 V C 1.996 178.037 176.094 -0.088 0.000 1.055 201 V CA 2.423 64.577 62.300 -0.245 0.000 1.038 201 V CB -0.954 30.701 31.823 -0.280 0.000 0.651 201 V HN 0.073 nan 8.190 nan 0.000 0.450 202 D N 0.001 120.419 120.400 0.031 0.000 2.117 202 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 202 D C 2.271 178.628 176.300 0.094 0.000 0.987 202 D CA 1.203 55.323 54.000 0.200 0.000 0.829 202 D CB -0.213 40.694 40.800 0.179 0.000 0.961 202 D HN 0.441 nan 8.370 nan 0.000 0.460 203 K N 0.024 120.393 120.400 -0.050 0.000 2.057 203 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 203 K C 2.065 178.507 176.600 -0.263 0.000 1.049 203 K CA 0.427 56.642 56.287 -0.121 0.000 0.931 203 K CB -0.216 32.213 32.500 -0.118 0.000 0.714 203 K HN 0.047 nan 8.250 nan 0.000 0.440 204 L N 0.239 121.181 121.223 -0.468 0.000 2.012 204 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 204 L C 1.823 178.313 176.870 -0.633 0.000 1.073 204 L CA 1.818 56.265 54.840 -0.655 0.000 0.748 204 L CB -0.289 41.188 42.059 -0.971 0.000 0.891 204 L HN 0.052 nan 8.230 nan 0.000 0.431 205 F N -2.487 117.145 119.950 -0.530 0.000 2.446 205 F HA 0.067 4.594 4.527 -0.000 0.000 0.292 205 F C 1.372 176.676 175.800 -0.825 0.000 1.096 205 F CA 0.588 58.136 58.000 -0.753 0.000 1.438 205 F CB 0.066 38.424 39.000 -1.069 0.000 1.107 205 F HN -0.021 nan 8.300 nan 0.000 0.546 206 F N -1.429 118.522 119.950 0.002 0.000 2.728 206 F HA 0.427 4.954 4.527 -0.000 0.000 0.314 206 F C 1.787 177.547 175.800 -0.065 0.000 1.094 206 F CA 0.248 58.227 58.000 -0.035 0.000 1.217 206 F CB 0.078 39.053 39.000 -0.042 0.000 1.056 206 F HN -0.037 nan 8.300 nan 0.000 0.577 207 G N 0.917 109.733 108.800 0.027 0.000 2.176 207 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.253 207 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.253 207 G C 0.096 174.993 174.900 -0.005 0.000 0.979 207 G CA 0.420 45.509 45.100 -0.018 0.000 0.641 207 G HN 0.541 nan 8.290 nan 0.000 0.530 208 Q N -1.102 118.712 119.800 0.024 0.000 2.630 208 Q HA 0.693 5.033 4.340 -0.000 0.000 0.295 208 Q C -0.940 175.048 176.000 -0.020 0.000 0.944 208 Q CA -1.068 54.731 55.803 -0.007 0.000 0.766 208 Q CB 1.065 29.787 28.738 -0.026 0.000 1.471 208 Q HN 0.263 nan 8.270 nan 0.000 0.416 209 E N 0.845 121.013 120.200 -0.052 0.000 2.374 209 E HA 0.089 4.439 4.350 -0.000 0.000 0.260 209 E C -0.480 175.910 176.600 -0.349 0.000 1.101 209 E CA -0.380 55.945 56.400 -0.125 0.000 0.907 209 E CB 0.366 30.049 29.700 -0.028 0.000 1.014 209 E HN 0.729 nan 8.360 nan 0.000 0.427 210 N N 1.302 119.625 118.700 -0.629 0.000 2.688 210 N HA -0.118 4.622 4.740 -0.000 0.000 0.258 210 N C -2.554 172.739 175.510 -0.362 0.000 1.016 210 N CA 0.056 52.672 53.050 -0.724 0.000 0.747 210 N CB -0.610 37.184 38.487 -1.156 0.000 0.895 210 N HN 0.229 nan 8.380 nan 0.000 0.543 211 P HA 0.138 nan 4.420 nan 0.000 0.274 211 P C -0.525 176.605 177.300 -0.284 0.000 1.231 211 P CA -0.191 62.758 63.100 -0.251 0.000 0.790 211 P CB 0.629 32.150 31.700 -0.299 0.000 0.951 212 D N 1.744 122.024 120.400 -0.201 0.000 2.344 212 D HA 0.080 4.720 4.640 -0.000 0.000 0.253 212 D C 0.533 176.702 176.300 -0.219 0.000 1.255 212 D CA -0.213 53.691 54.000 -0.160 0.000 0.894 212 D CB -0.114 40.634 40.800 -0.086 0.000 1.067 212 D HN 0.088 nan 8.370 nan 0.000 0.492 213 V N 1.941 121.702 119.914 -0.254 0.000 2.887 213 V HA 0.187 4.307 4.120 -0.000 0.000 0.370 213 V C 1.299 177.340 176.094 -0.087 0.000 1.322 213 V CA 0.202 62.341 62.300 -0.269 0.000 1.267 213 V CB -0.362 31.175 31.823 -0.477 0.000 1.344 213 V HN 0.431 nan 8.190 nan 0.000 0.573 214 S N -0.315 115.358 115.700 -0.044 0.000 2.496 214 S HA 0.217 4.687 4.470 -0.000 0.000 0.224 214 S C 0.729 175.371 174.600 0.070 0.000 0.996 214 S CA 0.158 58.365 58.200 0.012 0.000 0.927 214 S CB -0.178 63.024 63.200 0.004 0.000 0.774 214 S HN 0.733 nan 8.310 nan 0.000 0.524 215 K N 0.875 121.326 120.400 0.086 0.000 2.318 215 K HA 0.628 4.948 4.320 -0.000 0.000 0.249 215 K C -1.387 175.337 176.600 0.206 0.000 0.942 215 K CA -0.845 55.517 56.287 0.125 0.000 0.808 215 K CB 2.464 35.014 32.500 0.083 0.000 1.189 215 K HN -0.050 nan 8.250 nan 0.000 0.428 216 V N 2.102 122.151 119.914 0.225 0.000 2.509 216 V HA 0.351 4.471 4.120 -0.000 0.000 0.284 216 V C -0.075 176.078 176.094 0.098 0.000 1.047 216 V CA -0.218 62.228 62.300 0.244 0.000 0.952 216 V CB 1.001 32.882 31.823 0.097 0.000 0.988 216 V HN 0.993 nan 8.190 nan 0.000 0.469 217 S N 2.911 118.668 115.700 0.095 0.000 2.588 217 S HA 0.437 4.907 4.470 -0.000 0.000 0.269 217 S C 0.342 174.941 174.600 -0.002 0.000 1.157 217 S CA -0.744 57.469 58.200 0.022 0.000 0.824 217 S CB 1.867 65.097 63.200 0.049 0.000 1.126 217 S HN 0.584 nan 8.310 nan 0.000 0.464 218 K N 0.212 120.594 120.400 -0.029 0.000 2.103 218 K HA -0.125 4.194 4.320 -0.000 0.000 0.207 218 K C 0.540 177.159 176.600 0.031 0.000 1.048 218 K CA 2.035 58.310 56.287 -0.020 0.000 0.930 218 K CB -0.251 32.240 32.500 -0.014 0.000 0.716 218 K HN 0.641 nan 8.250 nan 0.000 0.444 219 D N 0.105 120.528 120.400 0.039 0.000 2.340 219 D HA -0.051 4.589 4.640 -0.000 0.000 0.220 219 D C 0.300 176.638 176.300 0.063 0.000 1.039 219 D CA 0.243 54.271 54.000 0.047 0.000 0.866 219 D CB 0.113 40.933 40.800 0.032 0.000 0.913 219 D HN 0.192 nan 8.370 nan 0.000 0.523 220 R N 1.474 122.027 120.500 0.089 0.000 2.390 220 R HA 0.070 4.410 4.340 -0.000 0.000 0.291 220 R C 0.600 176.944 176.300 0.073 0.000 1.070 220 R CA -0.050 56.094 56.100 0.074 0.000 1.014 220 R CB 0.549 30.901 30.300 0.086 0.000 1.007 220 R HN -0.337 nan 8.270 nan 0.000 0.466 221 K N 4.284 124.683 120.400 -0.003 0.000 2.447 221 K HA 0.170 4.490 4.320 -0.000 0.000 0.205 221 K C -0.763 175.781 176.600 -0.094 0.000 1.059 221 K CA -0.267 56.073 56.287 0.088 0.000 1.065 221 K CB 0.460 33.097 32.500 0.229 0.000 0.885 221 K HN 0.345 nan 8.250 nan 0.000 0.545 222 L N 0.588 121.550 121.223 -0.436 0.000 2.438 222 L HA 0.452 4.792 4.340 -0.000 0.000 0.270 222 L C -1.936 174.630 176.870 -0.507 0.000 0.972 222 L CA -0.854 53.659 54.840 -0.545 0.000 0.831 222 L CB 1.154 42.661 42.059 -0.920 0.000 1.273 222 L HN 0.012 nan 8.230 nan 0.000 0.405 223 Y N 3.974 124.287 120.300 0.021 0.000 2.421 223 Y HA 0.617 5.166 4.550 -0.000 0.000 0.339 223 Y C -0.128 175.767 175.900 -0.009 0.000 0.996 223 Y CA -0.748 57.410 58.100 0.098 0.000 1.046 223 Y CB 2.164 40.801 38.460 0.294 0.000 1.226 223 Y HN 0.361 nan 8.280 nan 0.000 0.445 224 R N 4.167 124.721 120.500 0.090 0.000 2.272 224 R HA 0.514 4.854 4.340 -0.000 0.000 0.323 224 R C -1.028 175.283 176.300 0.018 0.000 1.002 224 R CA -0.482 55.617 56.100 -0.001 0.000 0.900 224 R CB 1.098 31.336 30.300 -0.103 0.000 1.151 224 R HN 0.648 nan 8.270 nan 0.000 0.507 225 I N 2.831 123.422 120.570 0.035 0.000 2.474 225 I HA 0.154 4.323 4.170 -0.000 0.000 0.287 225 I C 0.851 177.118 176.117 0.250 0.000 1.048 225 I CA 0.155 61.510 61.300 0.093 0.000 1.383 225 I CB 1.279 39.353 38.000 0.123 0.000 1.412 225 I HN 0.586 nan 8.210 nan 0.000 0.531 226 T N 1.354 116.118 114.554 0.350 0.000 2.887 226 T HA 0.546 4.896 4.350 -0.000 0.000 0.292 226 T C -1.007 173.904 174.700 0.351 0.000 1.087 226 T CA -0.837 61.552 62.100 0.481 0.000 1.009 226 T CB 2.127 71.219 68.868 0.373 0.000 1.203 226 T HN 0.621 nan 8.240 nan 0.000 0.518 227 H N 0.194 119.324 119.070 0.100 0.000 2.771 227 H HA 0.653 5.209 4.556 -0.000 0.000 0.361 227 H C -0.337 174.907 175.328 -0.139 0.000 1.108 227 H CA -0.879 54.942 56.048 -0.378 0.000 1.201 227 H CB 1.721 30.979 29.762 -0.841 0.000 1.681 227 H HN 0.821 nan 8.280 nan 0.000 0.534 228 R N 2.619 122.658 120.500 -0.768 0.000 2.494 228 R HA 0.256 4.596 4.340 -0.000 0.000 0.291 228 R C 1.209 177.149 176.300 -0.601 0.000 0.953 228 R CA 1.759 57.604 56.100 -0.425 0.000 1.098 228 R CB -0.744 29.312 30.300 -0.406 0.000 0.911 228 R HN 1.096 nan 8.270 nan 0.000 0.407 229 G N 2.850 111.529 108.800 -0.201 0.000 2.225 229 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.254 229 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.254 229 G C -0.299 174.564 174.900 -0.061 0.000 0.988 229 G CA 0.280 45.290 45.100 -0.150 0.000 0.625 229 G HN 0.770 nan 8.290 nan 0.000 0.527 230 D N 0.307 120.690 120.400 -0.029 0.000 2.339 230 D HA 0.420 5.060 4.640 -0.000 0.000 0.241 230 D C 1.357 177.715 176.300 0.098 0.000 1.183 230 D CA -0.562 53.509 54.000 0.119 0.000 0.859 230 D CB 0.399 41.389 40.800 0.318 0.000 1.067 230 D HN 0.170 nan 8.370 nan 0.000 0.484 231 I N 3.852 124.448 120.570 0.043 0.000 3.428 231 I HA -0.131 4.039 4.170 -0.000 0.000 0.286 231 I C 1.375 177.445 176.117 -0.077 0.000 1.287 231 I CA 0.214 61.521 61.300 0.012 0.000 1.396 231 I CB 0.436 38.455 38.000 0.033 0.000 1.062 231 I HN 0.276 nan 8.210 nan 0.000 0.471 232 V N 2.417 122.267 119.914 -0.106 0.000 2.343 232 V HA -0.136 3.984 4.120 -0.000 0.000 0.247 232 V C -0.559 175.477 176.094 -0.097 0.000 1.051 232 V CA 1.769 63.951 62.300 -0.198 0.000 1.036 232 V CB -1.949 29.600 31.823 -0.457 0.000 0.654 232 V HN 0.376 nan 8.190 nan 0.000 0.451 233 P HA -0.117 nan 4.420 nan 0.000 0.231 233 P C 1.323 178.691 177.300 0.114 0.000 1.158 233 P CA 1.116 64.304 63.100 0.148 0.000 0.763 233 P CB -0.090 31.730 31.700 0.201 0.000 0.805 234 Q N -1.027 118.710 119.800 -0.105 0.000 2.282 234 Q HA 0.119 4.459 4.340 -0.000 0.000 0.206 234 Q C 0.605 176.169 176.000 -0.726 0.000 0.878 234 Q CA 0.080 55.724 55.803 -0.265 0.000 0.944 234 Q CB 0.499 29.146 28.738 -0.152 0.000 1.100 234 Q HN 0.189 nan 8.270 nan 0.000 0.509 235 V N -1.992 117.524 119.914 -0.663 0.000 2.769 235 V HA 0.619 4.739 4.120 -0.000 0.000 0.312 235 V C -2.835 172.920 176.094 -0.565 0.000 1.058 235 V CA -3.051 58.729 62.300 -0.866 0.000 0.952 235 V CB 1.600 32.992 31.823 -0.718 0.000 1.019 235 V HN -0.157 nan 8.190 nan 0.000 0.445 236 P HA 0.302 nan 4.420 nan 0.000 0.272 236 P C -0.130 176.600 177.300 -0.949 0.000 1.223 236 P CA 0.046 62.508 63.100 -1.064 0.000 0.784 236 P CB 0.352 31.196 31.700 -1.427 0.000 0.923 237 F N -1.200 118.290 119.950 -0.767 0.000 2.811 237 F HA 0.127 4.654 4.527 -0.000 0.000 0.301 237 F C 0.896 176.587 175.800 -0.182 0.000 1.151 237 F CA -0.350 57.419 58.000 -0.386 0.000 1.412 237 F CB -0.330 38.482 39.000 -0.314 0.000 1.113 237 F HN 0.266 nan 8.300 nan 0.000 0.579 238 W N 1.346 122.718 121.300 0.120 0.000 2.293 238 W HA -0.032 4.628 4.660 -0.000 0.000 0.342 238 W C 0.775 177.450 176.519 0.260 0.000 1.274 238 W CA -1.043 56.411 57.345 0.182 0.000 1.290 238 W CB 0.098 29.675 29.460 0.195 0.000 1.176 238 W HN -0.173 nan 8.180 nan 0.000 0.570 239 D N 1.063 121.728 120.400 0.442 0.000 2.583 239 D HA 0.102 4.742 4.640 -0.000 0.000 0.232 239 D C 1.157 177.619 176.300 0.269 0.000 1.128 239 D CA 2.155 56.320 54.000 0.275 0.000 0.859 239 D CB 0.722 41.634 40.800 0.186 0.000 1.169 239 D HN 0.648 nan 8.370 nan 0.000 0.481 240 G N 2.810 111.725 108.800 0.190 0.000 2.258 240 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.233 240 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.233 240 G C 0.226 175.169 174.900 0.071 0.000 1.006 240 G CA 0.053 45.212 45.100 0.098 0.000 0.620 240 G HN 0.533 nan 8.290 nan 0.000 0.511 241 Y N 2.485 122.857 120.300 0.119 0.000 2.359 241 Y HA 0.506 5.056 4.550 -0.000 0.000 0.330 241 Y C 0.998 176.926 175.900 0.047 0.000 1.143 241 Y CA 0.909 59.061 58.100 0.087 0.000 1.318 241 Y CB 0.851 39.349 38.460 0.063 0.000 1.234 241 Y HN 0.571 nan 8.280 nan 0.000 0.522 242 Q N 1.261 121.165 119.800 0.173 0.000 2.435 242 Q HA 0.389 4.729 4.340 -0.000 0.000 0.282 242 Q C -1.576 174.513 176.000 0.148 0.000 1.020 242 Q CA -1.183 54.695 55.803 0.125 0.000 0.820 242 Q CB 1.648 30.461 28.738 0.126 0.000 1.436 242 Q HN 0.580 nan 8.270 nan 0.000 0.395 243 H N 0.218 119.380 119.070 0.154 0.000 2.679 243 H HA 0.223 4.779 4.556 -0.000 0.000 0.369 243 H C 0.541 175.952 175.328 0.139 0.000 1.178 243 H CA 0.004 56.138 56.048 0.143 0.000 1.419 243 H CB 0.999 30.814 29.762 0.087 0.000 1.458 243 H HN 0.896 nan 8.280 nan 0.000 0.605 244 C N 0.907 120.382 119.300 0.292 0.000 2.633 244 C HA 0.440 4.900 4.460 -0.000 0.000 0.345 244 C C 1.070 176.137 174.990 0.129 0.000 1.384 244 C CA -0.887 58.234 59.018 0.173 0.000 2.418 244 C CB 0.028 27.827 27.740 0.099 0.000 2.425 244 C HN 0.681 nan 8.230 nan 0.000 0.705 245 S N -0.285 115.471 115.700 0.092 0.000 2.608 245 S HA 0.576 5.046 4.470 -0.000 0.000 0.261 245 S C 1.059 175.638 174.600 -0.035 0.000 1.314 245 S CA 0.620 58.802 58.200 -0.030 0.000 0.992 245 S CB 0.664 63.745 63.200 -0.198 0.000 0.935 245 S HN 2.283 nan 8.310 nan 0.000 0.564 246 G N 0.501 109.220 108.800 -0.134 0.000 2.145 246 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.145 246 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.145 246 G C -0.279 174.611 174.900 -0.018 0.000 1.017 246 G CA -0.110 44.949 45.100 -0.068 0.000 0.682 246 G HN 0.700 nan 8.290 nan 0.000 0.504 247 E N 0.448 120.621 120.200 -0.046 0.000 2.360 247 E HA 0.455 4.805 4.350 -0.000 0.000 0.269 247 E C -0.249 176.369 176.600 0.030 0.000 1.022 247 E CA -0.320 56.065 56.400 -0.024 0.000 0.887 247 E CB 0.923 30.588 29.700 -0.058 0.000 0.990 247 E HN 0.141 nan 8.360 nan 0.000 0.426 248 V N 6.208 126.142 119.914 0.034 0.000 2.407 248 V HA 0.293 4.413 4.120 -0.000 0.000 0.291 248 V C -0.845 175.294 176.094 0.075 0.000 1.018 248 V CA -0.720 61.571 62.300 -0.016 0.000 0.842 248 V CB 0.928 32.574 31.823 -0.295 0.000 0.996 248 V HN 0.570 nan 8.190 nan 0.000 0.426 249 F N 6.068 125.987 119.950 -0.053 0.000 2.427 249 F HA 0.640 5.167 4.527 -0.000 0.000 0.346 249 F C -0.016 175.769 175.800 -0.025 0.000 1.120 249 F CA -1.180 56.808 58.000 -0.019 0.000 1.033 249 F CB 1.260 40.255 39.000 -0.009 0.000 1.126 249 F HN 0.378 nan 8.300 nan 0.000 0.462 250 I N 5.795 126.041 120.570 -0.540 0.000 2.281 250 I HA 0.097 4.267 4.170 -0.000 0.000 0.293 250 I C -0.100 175.561 176.117 -0.759 0.000 1.085 250 I CA -0.122 60.871 61.300 -0.511 0.000 1.257 250 I CB 0.237 37.945 38.000 -0.486 0.000 1.430 250 I HN 0.442 nan 8.210 nan 0.000 0.489 251 D N 7.693 127.800 120.400 -0.489 0.000 2.713 251 D HA 0.102 4.742 4.640 -0.000 0.000 0.229 251 D C -1.135 175.243 176.300 0.130 0.000 1.136 251 D CA 0.231 54.071 54.000 -0.267 0.000 1.010 251 D CB 0.138 41.001 40.800 0.104 0.000 1.084 251 D HN 0.451 nan 8.370 nan 0.000 0.495 252 W N 2.764 123.937 121.300 -0.213 0.000 3.419 252 W HA 0.177 4.837 4.660 -0.000 0.000 0.298 252 W C -2.383 174.121 176.519 -0.026 0.000 1.260 252 W CA -1.571 55.717 57.345 -0.095 0.000 1.199 252 W CB 1.905 31.306 29.460 -0.098 0.000 1.349 252 W HN -0.055 nan 8.180 nan 0.000 0.557 253 P HA 0.166 nan 4.420 nan 0.000 0.261 253 P C 0.030 177.297 177.300 -0.056 0.000 1.268 253 P CA 0.718 63.695 63.100 -0.204 0.000 0.833 253 P CB 1.249 32.746 31.700 -0.338 0.000 1.231 254 L N -0.514 120.690 121.223 -0.032 0.000 2.257 254 L HA 0.491 4.831 4.340 -0.000 0.000 0.257 254 L C 1.067 177.947 176.870 0.018 0.000 1.033 254 L CA -1.790 53.070 54.840 0.033 0.000 0.835 254 L CB 1.568 43.682 42.059 0.091 0.000 1.398 254 L HN -0.225 nan 8.230 nan 0.000 0.429 255 I N -2.139 118.373 120.570 -0.096 0.000 3.381 255 I HA 0.070 4.240 4.170 -0.000 0.000 0.275 255 I C 0.025 176.091 176.117 -0.084 0.000 1.252 255 I CA -0.279 60.873 61.300 -0.248 0.000 1.292 255 I CB 0.026 37.792 38.000 -0.390 0.000 1.396 255 I HN 0.598 nan 8.210 nan 0.000 0.637 256 H N -0.780 118.311 119.070 0.035 0.000 2.592 256 H HA -0.079 4.477 4.556 -0.000 0.000 0.323 256 H C -2.207 173.119 175.328 -0.003 0.000 1.117 256 H CA 0.312 56.412 56.048 0.088 0.000 1.120 256 H CB -1.994 27.820 29.762 0.088 0.000 1.561 256 H HN 0.573 nan 8.280 nan 0.000 0.409 257 P HA 0.147 nan 4.420 nan 0.000 0.272 257 P C -2.264 174.828 177.300 -0.346 0.000 1.230 257 P CA -1.174 61.653 63.100 -0.456 0.000 0.788 257 P CB 0.614 32.105 31.700 -0.350 0.000 0.949 258 P HA 0.044 nan 4.420 nan 0.000 0.272 258 P C 1.057 178.238 177.300 -0.198 0.000 1.230 258 P CA -0.382 62.439 63.100 -0.464 0.000 0.788 258 P CB 0.404 31.742 31.700 -0.603 0.000 0.949 259 L N 2.540 123.646 121.223 -0.196 0.000 2.079 259 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 259 L C 2.176 179.083 176.870 0.062 0.000 1.081 259 L CA 2.597 57.405 54.840 -0.054 0.000 0.752 259 L CB -1.585 40.375 42.059 -0.165 0.000 0.896 259 L HN 0.454 nan 8.230 nan 0.000 0.433 260 S N -1.539 114.138 115.700 -0.039 0.000 2.469 260 S HA -0.111 4.359 4.470 -0.000 0.000 0.238 260 S C 1.481 176.189 174.600 0.179 0.000 0.998 260 S CA 1.136 59.343 58.200 0.010 0.000 0.957 260 S CB -0.733 62.416 63.200 -0.084 0.000 0.764 260 S HN 0.651 nan 8.310 nan 0.000 0.514 261 N N 0.885 119.628 118.700 0.071 0.000 2.238 261 N HA 0.227 4.967 4.740 -0.000 0.000 0.222 261 N C -1.036 174.518 175.510 0.072 0.000 1.133 261 N CA 0.087 53.189 53.050 0.088 0.000 0.854 261 N CB 1.255 39.743 38.487 0.002 0.000 1.041 261 N HN 0.231 nan 8.380 nan 0.000 0.510 262 V N 2.099 122.098 119.914 0.143 0.000 2.357 262 V HA 0.372 4.492 4.120 -0.000 0.000 0.284 262 V C 0.157 176.353 176.094 0.171 0.000 1.018 262 V CA -0.772 61.599 62.300 0.118 0.000 0.841 262 V CB 1.489 33.435 31.823 0.206 0.000 0.991 262 V HN -0.064 nan 8.190 nan 0.000 0.437 263 V N 3.273 123.260 119.914 0.122 0.000 2.914 263 V HA 0.699 4.819 4.120 -0.000 0.000 0.314 263 V C -0.431 175.726 176.094 0.104 0.000 1.084 263 V CA -1.031 61.327 62.300 0.095 0.000 0.963 263 V CB 2.369 34.211 31.823 0.032 0.000 1.025 263 V HN 0.631 nan 8.190 nan 0.000 0.432 264 M N 2.468 122.124 119.600 0.093 0.000 2.180 264 M HA 0.449 4.928 4.480 -0.000 0.000 0.358 264 M C -0.488 175.834 176.300 0.038 0.000 1.233 264 M CA -0.012 55.344 55.300 0.093 0.000 1.114 264 M CB 0.553 33.228 32.600 0.126 0.000 1.594 264 M HN 0.831 nan 8.290 nan 0.000 0.467 265 c N 3.291 121.902 118.600 0.019 0.000 2.329 265 c HA 0.441 5.011 4.570 -0.000 0.000 0.329 265 c C 0.662 174.724 174.090 -0.046 0.000 1.275 265 c CA -1.038 55.279 56.329 -0.022 0.000 1.726 265 c CB 1.285 43.769 42.510 -0.044 0.000 2.291 265 c HN 0.672 nan 8.230 nan 0.000 0.514 266 Q N 1.353 121.123 119.800 -0.051 0.000 2.417 266 Q HA 0.529 4.869 4.340 -0.000 0.000 0.241 266 Q C 0.596 176.563 176.000 -0.055 0.000 1.008 266 Q CA 0.842 56.605 55.803 -0.068 0.000 0.901 266 Q CB 0.740 29.445 28.738 -0.056 0.000 1.259 266 Q HN 1.237 nan 8.270 nan 0.000 0.489 267 G N 0.664 109.428 108.800 -0.061 0.000 2.707 267 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.686 267 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.686 267 G C -0.023 174.891 174.900 0.023 0.000 1.315 267 G CA -0.287 44.813 45.100 0.000 0.000 0.832 267 G HN 0.589 nan 8.290 nan 0.000 0.573 268 Q N -0.735 119.124 119.800 0.098 0.000 2.424 268 Q HA 0.383 4.723 4.340 -0.000 0.000 0.204 268 Q C 1.111 177.183 176.000 0.120 0.000 0.933 268 Q CA 1.096 56.974 55.803 0.125 0.000 0.929 268 Q CB 0.548 29.397 28.738 0.184 0.000 1.037 268 Q HN 0.717 nan 8.270 nan 0.000 0.511 269 S N 0.483 116.229 115.700 0.078 0.000 2.566 269 S HA 0.421 4.891 4.470 -0.000 0.000 0.273 269 S C -1.930 172.677 174.600 0.013 0.000 1.157 269 S CA -0.796 57.438 58.200 0.057 0.000 0.938 269 S CB 1.190 64.428 63.200 0.063 0.000 1.087 269 S HN 0.177 nan 8.310 nan 0.000 0.474 270 N N 3.296 121.977 118.700 -0.032 0.000 2.549 270 N HA 0.292 5.032 4.740 -0.000 0.000 0.290 270 N C 0.044 175.489 175.510 -0.109 0.000 1.122 270 N CA -0.489 52.523 53.050 -0.065 0.000 0.885 270 N CB 1.493 39.928 38.487 -0.088 0.000 1.455 270 N HN 0.526 nan 8.380 nan 0.000 0.521 271 K N 1.337 121.691 120.400 -0.075 0.000 2.439 271 K HA 0.028 4.348 4.320 -0.000 0.000 0.197 271 K C 0.977 177.510 176.600 -0.112 0.000 1.041 271 K CA 0.629 56.868 56.287 -0.079 0.000 0.970 271 K CB 0.348 32.824 32.500 -0.039 0.000 0.773 271 K HN 0.609 nan 8.250 nan 0.000 0.479 272 Q N -0.443 119.283 119.800 -0.125 0.000 2.435 272 Q HA -0.033 4.307 4.340 -0.000 0.000 0.207 272 Q C 1.128 176.936 176.000 -0.319 0.000 0.956 272 Q CA 0.437 56.160 55.803 -0.133 0.000 0.917 272 Q CB 0.056 28.750 28.738 -0.073 0.000 0.997 272 Q HN 0.260 nan 8.270 nan 0.000 0.497 273 c N -1.450 116.822 118.600 -0.547 0.000 3.925 273 c HA 0.207 4.777 4.570 -0.000 0.000 0.259 273 c C 2.356 175.786 174.090 -1.100 0.000 3.437 273 c CA 0.130 55.662 56.329 -1.329 0.000 1.834 273 c CB 0.294 42.348 42.510 -0.760 0.000 3.946 273 c HN 0.439 nan 8.230 nan 0.000 0.494 274 S N 1.430 116.700 115.700 -0.718 0.000 2.423 274 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 274 S C 1.593 176.140 174.600 -0.088 0.000 1.014 274 S CA 1.343 59.430 58.200 -0.189 0.000 0.965 274 S CB -0.706 62.529 63.200 0.058 0.000 0.785 274 S HN 0.875 nan 8.310 nan 0.000 0.495 275 A N 1.367 124.126 122.820 -0.102 0.000 2.121 275 A HA 0.351 4.671 4.320 -0.000 0.000 0.218 275 A C 2.043 179.609 177.584 -0.030 0.000 1.154 275 A CA 0.991 53.016 52.037 -0.021 0.000 0.679 275 A CB -1.043 17.957 19.000 0.001 0.000 0.795 275 A HN 0.643 nan 8.150 nan 0.000 0.458 276 G N -0.543 108.205 108.800 -0.087 0.000 3.189 276 G HA2 0.078 4.038 3.960 -0.000 0.000 0.225 276 G HA3 0.078 4.038 3.960 -0.000 0.000 0.225 276 G C 0.128 175.015 174.900 -0.021 0.000 1.159 276 G CA -0.484 44.583 45.100 -0.056 0.000 0.763 276 G HN 0.336 nan 8.290 nan 0.000 0.549 277 N N 2.138 120.837 118.700 -0.001 0.000 2.447 277 N HA 0.100 4.840 4.740 -0.000 0.000 0.263 277 N C 0.909 176.430 175.510 0.019 0.000 1.226 277 N CA 0.423 53.491 53.050 0.030 0.000 0.906 277 N CB 1.133 39.651 38.487 0.051 0.000 1.060 277 N HN 0.324 nan 8.380 nan 0.000 0.468 278 T N -0.850 113.710 114.554 0.009 0.000 2.847 278 T HA 0.290 4.640 4.350 -0.000 0.000 0.279 278 T C 1.934 176.632 174.700 -0.002 0.000 0.984 278 T CA -0.748 61.351 62.100 -0.001 0.000 0.988 278 T CB 0.621 69.485 68.868 -0.007 0.000 1.040 278 T HN 0.327 nan 8.240 nan 0.000 0.528 279 L N 0.469 121.686 121.223 -0.010 0.000 2.042 279 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 279 L C 2.570 179.433 176.870 -0.012 0.000 1.076 279 L CA 1.048 55.881 54.840 -0.012 0.000 0.749 279 L CB -0.741 41.305 42.059 -0.021 0.000 0.893 279 L HN 0.585 nan 8.230 nan 0.000 0.432 280 L N -0.264 120.950 121.223 -0.015 0.000 2.056 280 L HA -0.213 4.127 4.340 -0.000 0.000 0.207 280 L C 2.491 179.347 176.870 -0.023 0.000 1.078 280 L CA 1.703 56.531 54.840 -0.019 0.000 0.749 280 L CB -0.549 41.498 42.059 -0.022 0.000 0.901 280 L HN 0.227 nan 8.230 nan 0.000 0.433 281 Q N -0.925 118.861 119.800 -0.024 0.000 2.170 281 Q HA -0.224 4.116 4.340 -0.000 0.000 0.203 281 Q C 2.072 178.053 176.000 -0.032 0.000 0.976 281 Q CA 1.675 57.456 55.803 -0.037 0.000 0.858 281 Q CB -0.140 28.577 28.738 -0.034 0.000 0.907 281 Q HN 0.651 nan 8.270 nan 0.000 0.433 282 Q N -0.126 119.668 119.800 -0.011 0.000 2.472 282 Q HA 0.020 4.359 4.340 -0.000 0.000 0.208 282 Q C -0.071 175.932 176.000 0.004 0.000 0.958 282 Q CA -0.059 55.746 55.803 0.004 0.000 0.932 282 Q CB 0.370 29.122 28.738 0.024 0.000 1.007 282 Q HN 0.119 nan 8.270 nan 0.000 0.508 283 V N 3.094 123.005 119.914 -0.005 0.000 2.599 283 V HA -0.076 4.044 4.120 -0.000 0.000 0.300 283 V C 0.038 176.133 176.094 0.000 0.000 1.034 283 V CA 0.103 62.401 62.300 -0.003 0.000 1.115 283 V CB 0.347 32.164 31.823 -0.010 0.000 0.934 283 V HN 0.570 nan 8.190 nan 0.000 0.485 284 N N 2.576 121.282 118.700 0.010 0.000 2.917 284 N HA -0.129 4.611 4.740 -0.000 0.000 0.252 284 N C 0.416 175.949 175.510 0.037 0.000 1.097 284 N CA 0.725 53.787 53.050 0.020 0.000 0.669 284 N CB -1.314 37.182 38.487 0.014 0.000 0.957 284 N HN 0.358 nan 8.380 nan 0.000 0.566 285 V N 0.241 120.176 119.914 0.035 0.000 2.252 285 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 285 V C 2.376 178.520 176.094 0.084 0.000 1.056 285 V CA 1.721 64.047 62.300 0.043 0.000 1.022 285 V CB -0.202 31.632 31.823 0.019 0.000 0.641 285 V HN 0.515 nan 8.190 nan 0.000 0.445 286 I N 0.911 121.532 120.570 0.084 0.000 2.163 286 I HA -0.105 4.065 4.170 -0.000 0.000 0.240 286 I C 2.686 178.892 176.117 0.148 0.000 1.081 286 I CA 1.971 63.350 61.300 0.132 0.000 1.353 286 I CB -2.039 36.015 38.000 0.091 0.000 1.054 286 I HN 0.371 nan 8.210 nan 0.000 0.407 287 G N 1.277 110.131 108.800 0.090 0.000 2.440 287 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 287 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 287 G C 1.435 176.399 174.900 0.107 0.000 1.154 287 G CA 0.648 45.791 45.100 0.071 0.000 0.767 287 G HN 0.346 nan 8.290 nan 0.000 0.552 288 N N -0.040 118.741 118.700 0.135 0.000 2.396 288 N HA -0.053 4.687 4.740 -0.000 0.000 0.180 288 N C 1.721 177.439 175.510 0.347 0.000 1.028 288 N CA 0.789 53.954 53.050 0.192 0.000 0.893 288 N CB -0.376 38.164 38.487 0.088 0.000 0.967 288 N HN 0.449 nan 8.380 nan 0.000 0.440 289 H N 0.505 119.704 119.070 0.216 0.000 2.524 289 H HA 0.179 4.735 4.556 -0.000 0.000 0.282 289 H C 1.581 177.184 175.328 0.458 0.000 1.016 289 H CA 0.842 57.104 56.048 0.358 0.000 1.270 289 H CB 0.008 29.912 29.762 0.236 0.000 1.394 289 H HN 0.125 nan 8.280 nan 0.000 0.568 290 L N -0.435 120.907 121.223 0.197 0.000 2.477 290 L HA 0.099 4.438 4.340 -0.000 0.000 0.220 290 L C 0.321 177.160 176.870 -0.052 0.000 1.106 290 L CA 0.274 55.114 54.840 0.001 0.000 0.851 290 L CB -0.009 42.009 42.059 -0.068 0.000 0.994 290 L HN 0.160 nan 8.230 nan 0.000 0.462 291 Q N 0.436 120.135 119.800 -0.168 0.000 2.566 291 Q HA 0.189 4.529 4.340 -0.000 0.000 0.221 291 Q C -1.351 174.112 176.000 -0.895 0.000 1.195 291 Q CA -0.040 55.476 55.803 -0.479 0.000 0.967 291 Q CB 0.259 28.690 28.738 -0.512 0.000 1.337 291 Q HN 0.185 nan 8.270 nan 0.000 0.553 292 Y N 1.614 121.685 120.300 -0.381 0.000 2.748 292 Y HA 0.167 4.717 4.550 -0.000 0.000 0.359 292 Y C -0.080 175.756 175.900 -0.106 0.000 1.030 292 Y CA -0.678 57.244 58.100 -0.296 0.000 1.169 292 Y CB 0.121 38.522 38.460 -0.099 0.000 1.127 292 Y HN 0.589 nan 8.280 nan 0.000 0.644 293 F N -1.851 117.943 119.950 -0.261 0.000 2.542 293 F HA -0.397 4.130 4.527 -0.000 0.000 0.713 293 F C 0.697 176.263 175.800 -0.391 0.000 0.486 293 F CA 1.326 59.174 58.000 -0.252 0.000 0.763 293 F CB -1.391 37.509 39.000 -0.168 0.000 1.628 293 F HN 0.116 nan 8.300 nan 0.000 0.270 294 V N -2.122 117.756 119.914 -0.060 0.000 3.193 294 V HA 0.764 4.884 4.120 -0.000 0.000 0.320 294 V C 0.384 176.387 176.094 -0.151 0.000 1.112 294 V CA -0.440 61.767 62.300 -0.154 0.000 1.026 294 V CB 1.494 33.298 31.823 -0.031 0.000 1.128 294 V HN 0.196 nan 8.190 nan 0.000 0.452 295 T N 2.689 117.160 114.554 -0.139 0.000 2.779 295 T HA 0.277 4.627 4.350 -0.000 0.000 0.296 295 T C -0.113 174.477 174.700 -0.184 0.000 0.938 295 T CA -0.014 61.997 62.100 -0.149 0.000 1.119 295 T CB -0.037 68.765 68.868 -0.110 0.000 0.891 295 T HN 0.776 nan 8.240 nan 0.000 0.526 296 E N 1.342 121.371 120.200 -0.284 0.000 2.283 296 E HA 0.500 4.850 4.350 -0.000 0.000 0.271 296 E C 1.192 177.417 176.600 -0.624 0.000 1.031 296 E CA -0.096 56.007 56.400 -0.495 0.000 0.868 296 E CB 1.538 30.656 29.700 -0.970 0.000 1.094 296 E HN 0.891 nan 8.360 nan 0.000 0.401 297 G N 0.478 108.652 108.800 -1.043 0.000 2.238 297 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 297 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 297 G C -0.152 174.350 174.900 -0.662 0.000 0.996 297 G CA 0.014 44.307 45.100 -1.345 0.000 0.632 297 G HN 0.343 nan 8.290 nan 0.000 0.503 298 V N 1.031 120.739 119.914 -0.343 0.000 2.525 298 V HA 0.527 4.647 4.120 -0.000 0.000 0.299 298 V C 0.681 176.743 176.094 -0.052 0.000 1.034 298 V CA -0.625 61.595 62.300 -0.135 0.000 0.863 298 V CB 1.418 33.179 31.823 -0.104 0.000 0.999 298 V HN 0.649 nan 8.190 nan 0.000 0.423 299 c N 4.929 123.532 118.600 0.006 0.000 2.648 299 c HA 0.560 5.130 4.570 -0.000 0.000 0.419 299 c C 1.636 175.724 174.090 -0.003 0.000 1.352 299 c CA 1.457 57.794 56.329 0.014 0.000 1.816 299 c CB -0.873 41.644 42.510 0.011 0.000 2.598 299 c HN 1.589 nan 8.230 nan 0.000 0.598 300 G N 4.592 113.392 108.800 -0.001 0.000 2.195 300 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.224 300 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.224 300 G C 0.013 174.919 174.900 0.011 0.000 0.990 300 G CA 0.362 45.465 45.100 0.004 0.000 0.639 300 G HN 1.311 nan 8.290 nan 0.000 0.514 301 I N 0.000 120.573 120.570 0.005 0.000 2.984 301 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 301 I CA 0.000 61.308 61.300 0.013 0.000 1.566 301 I CB 0.000 38.000 38.000 -0.000 0.000 1.214 301 I HN 0.000 nan 8.210 nan 0.000 0.494