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 2bo7_1_J DATA FIRST_RESID 2 DATA SEQUENCE SLVVFPFKHE HPEVLLHNVR VAAAHPRVHE VLCIGYERDQ TYEAVERAAP DATA SEQUENCE EISRATGTPV SVRLQERLGT LRPGKGDGMN TALRYFLEET QWERIHFYDA DATA SEQUENCE DITSFGPDWI TKAEEAADFG YGLVRHYFPR ASTDAMITWM ITRTGFALLW DATA SEQUENCE PHTELSWIEQ PLGGELLMRR EVAAMLYEDE RVRRRSDWGI DTLYTFVTVQ DATA SEQUENCE QGVSIYECYI PEGKAHRLXX XXXDLRTMLV ECFAAIQSLQ HEVVGQPAIH DATA SEQUENCE RQEHPHRVPV HIAERVGYDV EATLHRLMQH WTPRQVELLE LFTTPVREGL DATA SEQUENCE RTCQRRPAFN FMDEMAWAAT YHVLLEHFQP GDPDWEELLF KLWTTRVLNY DATA SEQUENCE TMTVALRGYD YAQQYLYRML GRYRYQAALE N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.384 174.600 -0.360 0.000 1.055 2 S CA 0.000 58.110 58.200 -0.149 0.000 1.107 2 S CB 0.000 63.188 63.200 -0.020 0.000 0.593 3 L N 2.504 123.631 121.223 -0.161 0.000 2.289 3 L HA 0.796 5.136 4.340 -0.000 0.000 0.285 3 L C -1.099 175.669 176.870 -0.170 0.000 1.049 3 L CA -0.158 54.590 54.840 -0.154 0.000 0.804 3 L CB 1.148 43.280 42.059 0.120 0.000 1.195 3 L HN 0.516 nan 8.230 nan 0.000 0.428 4 V N 5.913 125.702 119.914 -0.208 0.000 2.417 4 V HA 0.546 4.666 4.120 -0.000 0.000 0.291 4 V C -0.454 175.429 176.094 -0.352 0.000 1.024 4 V CA -0.615 61.514 62.300 -0.285 0.000 0.861 4 V CB 1.858 33.505 31.823 -0.292 0.000 0.985 4 V HN 0.552 nan 8.190 nan 0.000 0.436 5 V N 5.417 125.023 119.914 -0.513 0.000 2.495 5 V HA 0.550 4.670 4.120 -0.000 0.000 0.298 5 V C -0.913 174.925 176.094 -0.427 0.000 1.031 5 V CA -0.520 61.539 62.300 -0.402 0.000 0.871 5 V CB 1.788 33.301 31.823 -0.517 0.000 0.988 5 V HN 0.707 nan 8.190 nan 0.000 0.432 6 F N 6.154 126.154 119.950 0.083 0.000 2.382 6 F HA 0.489 5.016 4.527 -0.000 0.000 0.361 6 F C -2.232 173.712 175.800 0.240 0.000 1.109 6 F CA -2.374 55.710 58.000 0.140 0.000 1.031 6 F CB 2.058 41.084 39.000 0.045 0.000 1.234 6 F HN 0.292 nan 8.300 nan 0.000 0.445 7 P HA 0.254 nan 4.420 nan 0.000 0.286 7 P C -1.090 176.416 177.300 0.344 0.000 1.269 7 P CA -0.206 63.077 63.100 0.306 0.000 0.787 7 P CB 0.853 32.683 31.700 0.216 0.000 0.920 8 F N 1.377 121.392 119.950 0.109 0.000 2.588 8 F HA 0.687 5.214 4.527 -0.000 0.000 0.310 8 F C 0.416 176.227 175.800 0.018 0.000 1.082 8 F CA -1.138 56.901 58.000 0.065 0.000 0.929 8 F CB 1.875 40.908 39.000 0.056 0.000 1.254 8 F HN 0.196 nan 8.300 nan 0.000 0.455 9 K N 0.127 120.522 120.400 -0.008 0.000 2.758 9 K HA 0.308 4.628 4.320 -0.000 0.000 0.247 9 K C -0.528 175.925 176.600 -0.245 0.000 1.155 9 K CA -0.270 55.844 56.287 -0.288 0.000 1.011 9 K CB 0.251 32.477 32.500 -0.457 0.000 1.633 9 K HN 0.756 nan 8.250 nan 0.000 0.438 10 H N 1.228 120.352 119.070 0.090 0.000 2.638 10 H HA 0.412 4.968 4.556 -0.000 0.000 0.317 10 H C -1.092 174.255 175.328 0.032 0.000 1.006 10 H CA -0.397 55.696 56.048 0.074 0.000 1.222 10 H CB 1.686 31.450 29.762 0.002 0.000 1.419 10 H HN 0.298 nan 8.280 nan 0.000 0.489 11 E N 0.759 121.035 120.200 0.128 0.000 2.408 11 E HA 0.246 4.596 4.350 -0.000 0.000 0.275 11 E C -1.063 175.484 176.600 -0.087 0.000 0.935 11 E CA -0.829 55.571 56.400 -0.001 0.000 0.775 11 E CB 1.570 31.308 29.700 0.062 0.000 1.277 11 E HN 0.534 nan 8.360 nan 0.000 0.455 12 H N 2.553 121.632 119.070 0.016 0.000 3.026 12 H HA 0.063 4.619 4.556 -0.000 0.000 0.289 12 H C -1.628 173.666 175.328 -0.057 0.000 1.022 12 H CA -0.997 55.042 56.048 -0.014 0.000 1.477 12 H CB 0.538 30.286 29.762 -0.022 0.000 1.510 12 H HN 0.332 nan 8.280 nan 0.000 0.535 13 P HA -0.268 nan 4.420 nan 0.000 0.217 13 P C 1.018 178.283 177.300 -0.059 0.000 1.162 13 P CA 1.542 64.612 63.100 -0.049 0.000 0.901 13 P CB 0.356 32.039 31.700 -0.027 0.000 0.793 14 E N -0.735 119.453 120.200 -0.019 0.000 2.110 14 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 14 E C 2.000 178.575 176.600 -0.041 0.000 0.988 14 E CA 0.896 57.274 56.400 -0.037 0.000 0.804 14 E CB -1.636 28.040 29.700 -0.041 0.000 0.745 14 E HN 0.073 nan 8.360 nan 0.000 0.458 15 V N 0.997 120.893 119.914 -0.030 0.000 2.255 15 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 15 V C 2.206 178.235 176.094 -0.109 0.000 1.051 15 V CA 1.763 64.038 62.300 -0.041 0.000 1.018 15 V CB -0.580 31.245 31.823 0.004 0.000 0.641 15 V HN 0.225 nan 8.190 nan 0.000 0.445 16 L N -0.339 120.778 121.223 -0.175 0.000 2.017 16 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 16 L C 2.195 178.836 176.870 -0.382 0.000 1.073 16 L CA 1.796 56.426 54.840 -0.349 0.000 0.745 16 L CB -0.651 41.178 42.059 -0.383 0.000 0.894 16 L HN 0.201 nan 8.230 nan 0.000 0.432 17 L N -0.895 120.181 121.223 -0.245 0.000 2.079 17 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 17 L C 2.711 179.484 176.870 -0.161 0.000 1.081 17 L CA 1.617 56.337 54.840 -0.200 0.000 0.752 17 L CB -0.972 41.011 42.059 -0.126 0.000 0.896 17 L HN 0.530 nan 8.230 nan 0.000 0.433 18 H N 0.755 119.710 119.070 -0.193 0.000 2.290 18 H HA -0.169 4.387 4.556 -0.000 0.000 0.298 18 H C 1.940 177.170 175.328 -0.163 0.000 1.087 18 H CA 1.998 57.957 56.048 -0.148 0.000 1.291 18 H CB 0.199 29.890 29.762 -0.119 0.000 1.369 18 H HN 0.364 nan 8.280 nan 0.000 0.492 19 N N 0.545 119.031 118.700 -0.357 0.000 2.120 19 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 19 N C 2.265 177.493 175.510 -0.470 0.000 1.024 19 N CA 1.140 53.896 53.050 -0.490 0.000 0.852 19 N CB -0.621 37.336 38.487 -0.882 0.000 1.003 19 N HN 0.182 nan 8.380 nan 0.000 0.424 20 V N 1.279 120.850 119.914 -0.570 0.000 2.332 20 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 20 V C 2.508 178.536 176.094 -0.110 0.000 1.055 20 V CA 1.600 63.736 62.300 -0.275 0.000 1.038 20 V CB -0.417 31.250 31.823 -0.260 0.000 0.651 20 V HN 0.231 nan 8.190 nan 0.000 0.450 21 R N -0.631 119.770 120.500 -0.165 0.000 2.092 21 R HA -0.101 4.239 4.340 -0.000 0.000 0.231 21 R C 2.203 178.436 176.300 -0.112 0.000 1.119 21 R CA 1.241 57.268 56.100 -0.121 0.000 0.970 21 R CB -0.378 29.846 30.300 -0.128 0.000 0.864 21 R HN 0.396 nan 8.270 nan 0.000 0.440 22 V N 0.572 120.381 119.914 -0.175 0.000 2.255 22 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 22 V C 2.333 178.441 176.094 0.022 0.000 1.051 22 V CA 2.099 64.330 62.300 -0.115 0.000 1.018 22 V CB -0.745 30.983 31.823 -0.158 0.000 0.641 22 V HN 0.511 nan 8.190 nan 0.000 0.445 23 A N -0.209 122.694 122.820 0.138 0.000 1.908 23 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 23 A C 2.382 179.998 177.584 0.053 0.000 1.181 23 A CA 2.197 54.314 52.037 0.134 0.000 0.627 23 A CB -0.784 18.355 19.000 0.232 0.000 0.818 23 A HN 0.604 nan 8.150 nan 0.000 0.445 24 A N -0.419 122.422 122.820 0.035 0.000 1.969 24 A HA 0.254 4.574 4.320 -0.000 0.000 0.218 24 A C 2.357 179.947 177.584 0.010 0.000 1.169 24 A CA 1.722 53.765 52.037 0.011 0.000 0.635 24 A CB -0.758 18.243 19.000 0.002 0.000 0.810 24 A HN 1.053 nan 8.150 nan 0.000 0.445 25 A N -1.555 121.268 122.820 0.004 0.000 2.119 25 A HA 0.000 4.320 4.320 -0.000 0.000 0.217 25 A C 1.193 178.773 177.584 -0.007 0.000 1.153 25 A CA 0.222 52.253 52.037 -0.011 0.000 0.692 25 A CB -0.578 18.401 19.000 -0.036 0.000 0.799 25 A HN 0.602 nan 8.150 nan 0.000 0.458 26 H N 1.028 120.055 119.070 -0.072 0.000 2.848 26 H HA 0.124 4.680 4.556 -0.000 0.000 0.317 26 H C -1.559 173.719 175.328 -0.083 0.000 1.046 26 H CA -1.454 54.544 56.048 -0.082 0.000 1.470 26 H CB 1.288 30.987 29.762 -0.105 0.000 1.483 26 H HN 0.116 nan 8.280 nan 0.000 0.548 27 P HA -0.103 nan 4.420 nan 0.000 0.221 27 P C 0.759 178.101 177.300 0.070 0.000 1.145 27 P CA 1.122 64.219 63.100 -0.004 0.000 0.795 27 P CB 0.287 31.943 31.700 -0.073 0.000 0.775 28 R N -0.728 119.921 120.500 0.249 0.000 2.334 28 R HA 0.198 4.538 4.340 -0.000 0.000 0.216 28 R C 0.164 176.229 176.300 -0.391 0.000 0.905 28 R CA -0.045 56.033 56.100 -0.037 0.000 1.064 28 R CB 0.448 30.797 30.300 0.082 0.000 1.046 28 R HN 0.064 nan 8.270 nan 0.000 0.508 29 V N 1.848 121.584 119.914 -0.297 0.000 2.383 29 V HA 0.084 4.204 4.120 -0.000 0.000 0.275 29 V C 0.645 176.482 176.094 -0.429 0.000 1.036 29 V CA -0.390 61.670 62.300 -0.401 0.000 0.889 29 V CB 1.306 32.985 31.823 -0.239 0.000 0.985 29 V HN 0.267 nan 8.190 nan 0.000 0.459 30 H N 2.631 121.452 119.070 -0.415 0.000 2.654 30 H HA 0.384 4.940 4.556 -0.000 0.000 0.264 30 H C 0.539 175.571 175.328 -0.492 0.000 0.954 30 H CA 0.226 55.930 56.048 -0.575 0.000 1.199 30 H CB 1.063 30.124 29.762 -1.169 0.000 1.446 30 H HN 0.708 nan 8.280 nan 0.000 0.516 31 E N 0.378 120.373 120.200 -0.341 0.000 2.363 31 E HA 0.386 4.736 4.350 -0.000 0.000 0.281 31 E C -1.684 174.879 176.600 -0.062 0.000 0.953 31 E CA -0.436 55.905 56.400 -0.098 0.000 0.778 31 E CB 2.535 32.286 29.700 0.085 0.000 1.220 31 E HN -0.171 nan 8.360 nan 0.000 0.431 32 V N 3.721 123.645 119.914 0.016 0.000 2.495 32 V HA 0.542 4.662 4.120 -0.000 0.000 0.298 32 V C -0.742 175.384 176.094 0.052 0.000 1.031 32 V CA -0.796 61.523 62.300 0.032 0.000 0.871 32 V CB 1.500 33.370 31.823 0.078 0.000 0.988 32 V HN 0.562 nan 8.190 nan 0.000 0.432 33 L N 5.381 126.627 121.223 0.037 0.000 2.381 33 L HA 0.708 5.048 4.340 -0.000 0.000 0.274 33 L C -0.688 176.235 176.870 0.089 0.000 0.988 33 L CA 0.153 54.999 54.840 0.010 0.000 0.824 33 L CB 1.492 43.511 42.059 -0.066 0.000 1.263 33 L HN 0.756 nan 8.230 nan 0.000 0.410 34 C N 5.776 125.146 119.300 0.117 0.000 2.303 34 C HA 0.601 5.061 4.460 -0.000 0.000 0.326 34 C C 0.180 175.339 174.990 0.282 0.000 1.285 34 C CA -0.847 58.330 59.018 0.265 0.000 1.675 34 C CB 0.146 28.005 27.740 0.199 0.000 2.289 34 C HN 0.633 nan 8.230 nan 0.000 0.512 35 I N 3.161 123.906 120.570 0.292 0.000 2.355 35 I HA 0.462 4.632 4.170 -0.000 0.000 0.288 35 I C 0.756 176.734 176.117 -0.232 0.000 0.999 35 I CA 0.281 61.640 61.300 0.097 0.000 1.163 35 I CB 1.308 39.360 38.000 0.087 0.000 1.316 35 I HN 0.845 nan 8.210 nan 0.000 0.454 36 G N 3.560 112.105 108.800 -0.425 0.000 2.410 36 G HA2 0.209 4.169 3.960 -0.000 0.000 0.330 36 G HA3 0.209 4.169 3.960 -0.000 0.000 0.330 36 G C -0.175 174.481 174.900 -0.407 0.000 1.142 36 G CA -0.245 44.234 45.100 -1.035 0.000 0.902 36 G HN 0.627 nan 8.290 nan 0.000 0.491 37 Y N 0.562 120.546 120.300 -0.528 0.000 2.176 37 Y HA 0.118 4.668 4.550 -0.000 0.000 0.291 37 Y C 1.315 177.082 175.900 -0.223 0.000 1.122 37 Y CA 1.772 59.681 58.100 -0.318 0.000 1.128 37 Y CB 0.294 38.548 38.460 -0.342 0.000 1.005 37 Y HN 0.647 nan 8.280 nan 0.000 0.509 38 E N -0.284 119.846 120.200 -0.117 0.000 2.445 38 E HA 0.253 4.603 4.350 -0.000 0.000 0.273 38 E C -0.957 175.564 176.600 -0.131 0.000 0.961 38 E CA -1.155 55.145 56.400 -0.167 0.000 0.807 38 E CB 1.154 30.827 29.700 -0.045 0.000 1.362 38 E HN 0.096 nan 8.360 nan 0.000 0.453 39 R N 1.570 121.924 120.500 -0.243 0.000 3.701 39 R HA 0.072 4.412 4.340 -0.000 0.000 0.210 39 R C -0.628 175.652 176.300 -0.033 0.000 1.598 39 R CA -0.084 55.797 56.100 -0.365 0.000 1.427 39 R CB -0.438 29.580 30.300 -0.471 0.000 1.339 39 R HN 0.490 nan 8.270 nan 0.000 0.720 40 D N 0.306 120.797 120.400 0.152 0.000 2.511 40 D HA -0.033 4.607 4.640 -0.000 0.000 0.283 40 D C 0.660 177.089 176.300 0.215 0.000 1.198 40 D CA -0.219 53.898 54.000 0.196 0.000 1.097 40 D CB 0.344 41.314 40.800 0.283 0.000 1.160 40 D HN 0.201 nan 8.370 nan 0.000 0.589 41 Q N -1.121 118.786 119.800 0.178 0.000 2.083 41 Q HA -0.060 4.280 4.340 -0.000 0.000 0.198 41 Q C 2.069 178.152 176.000 0.138 0.000 0.969 41 Q CA 1.806 57.691 55.803 0.136 0.000 0.838 41 Q CB -0.263 28.527 28.738 0.087 0.000 0.900 41 Q HN 0.573 nan 8.270 nan 0.000 0.436 42 T N 0.369 115.017 114.554 0.157 0.000 2.624 42 T HA -0.281 4.069 4.350 -0.000 0.000 0.268 42 T C 1.429 176.163 174.700 0.058 0.000 1.041 42 T CA 1.794 63.935 62.100 0.068 0.000 1.159 42 T CB -0.695 68.241 68.868 0.112 0.000 0.863 42 T HN 0.354 nan 8.240 nan 0.000 0.434 43 Y N 1.922 122.339 120.300 0.195 0.000 2.081 43 Y HA -0.204 4.346 4.550 -0.000 0.000 0.280 43 Y C 2.468 178.422 175.900 0.090 0.000 1.163 43 Y CA 1.808 60.051 58.100 0.238 0.000 1.135 43 Y CB -0.325 38.309 38.460 0.291 0.000 0.970 43 Y HN 0.326 nan 8.280 nan 0.000 0.498 44 E N -0.352 120.044 120.200 0.327 0.000 2.110 44 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 44 E C 2.346 178.984 176.600 0.063 0.000 0.988 44 E CA 0.822 57.343 56.400 0.202 0.000 0.804 44 E CB -0.337 29.460 29.700 0.162 0.000 0.745 44 E HN 0.570 nan 8.360 nan 0.000 0.458 45 A N 0.953 123.789 122.820 0.027 0.000 1.865 45 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 45 A C 2.519 180.053 177.584 -0.084 0.000 1.191 45 A CA 1.510 53.529 52.037 -0.029 0.000 0.623 45 A CB -0.815 18.161 19.000 -0.041 0.000 0.826 45 A HN 0.130 nan 8.150 nan 0.000 0.444 46 V N -0.147 119.672 119.914 -0.158 0.000 2.295 46 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 46 V C 2.504 178.501 176.094 -0.162 0.000 1.049 46 V CA 2.330 64.501 62.300 -0.215 0.000 1.024 46 V CB -0.829 30.780 31.823 -0.357 0.000 0.648 46 V HN 0.750 nan 8.190 nan 0.000 0.447 47 E N -0.055 120.049 120.200 -0.159 0.000 2.118 47 E HA -0.258 4.092 4.350 -0.000 0.000 0.195 47 E C 2.482 179.060 176.600 -0.037 0.000 0.992 47 E CA 1.372 57.716 56.400 -0.095 0.000 0.804 47 E CB -0.050 29.637 29.700 -0.021 0.000 0.741 47 E HN 0.455 nan 8.360 nan 0.000 0.458 48 R N -0.465 120.021 120.500 -0.023 0.000 2.066 48 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 48 R C 2.308 178.594 176.300 -0.024 0.000 1.131 48 R CA 1.208 57.301 56.100 -0.011 0.000 0.955 48 R CB -0.204 30.094 30.300 -0.003 0.000 0.851 48 R HN 0.161 nan 8.270 nan 0.000 0.432 49 A N 0.674 123.468 122.820 -0.043 0.000 1.968 49 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 49 A C 2.267 179.825 177.584 -0.043 0.000 1.169 49 A CA 1.360 53.369 52.037 -0.046 0.000 0.638 49 A CB -0.499 18.462 19.000 -0.065 0.000 0.812 49 A HN 0.429 nan 8.150 nan 0.000 0.446 50 A N 0.791 123.581 122.820 -0.051 0.000 1.884 50 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 50 A C 0.292 177.866 177.584 -0.016 0.000 1.197 50 A CA 2.128 54.141 52.037 -0.040 0.000 0.637 50 A CB -1.856 17.116 19.000 -0.047 0.000 0.827 50 A HN 0.451 nan 8.150 nan 0.000 0.450 51 P HA -0.177 nan 4.420 nan 0.000 0.216 51 P C 1.540 178.841 177.300 0.002 0.000 1.153 51 P CA 1.455 64.558 63.100 0.004 0.000 0.858 51 P CB -0.026 31.678 31.700 0.006 0.000 0.789 52 E N -0.256 119.941 120.200 -0.005 0.000 2.028 52 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 52 E C 2.069 178.664 176.600 -0.008 0.000 0.988 52 E CA 1.045 57.441 56.400 -0.006 0.000 0.799 52 E CB -0.809 28.885 29.700 -0.011 0.000 0.755 52 E HN 0.185 nan 8.360 nan 0.000 0.447 53 I N 1.220 121.780 120.570 -0.016 0.000 2.118 53 I HA -0.326 3.844 4.170 -0.000 0.000 0.241 53 I C 2.426 178.539 176.117 -0.006 0.000 1.070 53 I CA 1.720 63.009 61.300 -0.018 0.000 1.327 53 I CB -0.466 37.515 38.000 -0.033 0.000 1.034 53 I HN 0.090 nan 8.210 nan 0.000 0.405 54 S N 0.339 116.040 115.700 0.003 0.000 2.447 54 S HA -0.145 4.325 4.470 -0.000 0.000 0.233 54 S C 2.026 176.638 174.600 0.020 0.000 1.006 54 S CA 0.558 58.768 58.200 0.017 0.000 0.957 54 S CB -0.405 62.812 63.200 0.028 0.000 0.773 54 S HN 0.389 nan 8.310 nan 0.000 0.507 55 R N 1.355 121.864 120.500 0.014 0.000 2.075 55 R HA 0.077 4.417 4.340 -0.000 0.000 0.232 55 R C 2.466 178.773 176.300 0.011 0.000 1.126 55 R CA 1.240 57.349 56.100 0.015 0.000 0.963 55 R CB -0.611 29.695 30.300 0.011 0.000 0.858 55 R HN 0.514 nan 8.270 nan 0.000 0.435 56 A N -0.211 122.612 122.820 0.005 0.000 2.014 56 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 56 A C 1.917 179.502 177.584 0.003 0.000 1.163 56 A CA 1.810 53.848 52.037 0.002 0.000 0.652 56 A CB -0.287 18.710 19.000 -0.004 0.000 0.808 56 A HN 0.572 nan 8.150 nan 0.000 0.449 57 T N -5.909 108.648 114.554 0.005 0.000 3.001 57 T HA 0.421 4.771 4.350 -0.000 0.000 0.251 57 T C 1.467 176.179 174.700 0.019 0.000 1.040 57 T CA 1.080 63.184 62.100 0.007 0.000 0.985 57 T CB 0.355 69.225 68.868 0.003 0.000 1.011 57 T HN 1.603 nan 8.240 nan 0.000 0.509 58 G N 1.919 110.735 108.800 0.026 0.000 2.184 58 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.264 58 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.264 58 G C 0.304 175.236 174.900 0.052 0.000 0.975 58 G CA 0.611 45.734 45.100 0.038 0.000 0.642 58 G HN 1.310 nan 8.290 nan 0.000 0.536 59 T N -0.045 114.536 114.554 0.045 0.000 2.771 59 T HA 0.675 5.025 4.350 -0.000 0.000 0.281 59 T C -2.272 172.461 174.700 0.055 0.000 0.982 59 T CA -1.741 60.391 62.100 0.053 0.000 0.978 59 T CB 3.046 71.931 68.868 0.029 0.000 0.930 59 T HN 0.144 nan 8.240 nan 0.000 0.447 60 P HA 0.259 nan 4.420 nan 0.000 0.268 60 P C -0.800 176.546 177.300 0.076 0.000 1.205 60 P CA -0.334 62.821 63.100 0.093 0.000 0.771 60 P CB 0.748 32.536 31.700 0.147 0.000 0.858 61 V N 2.838 122.784 119.914 0.054 0.000 2.588 61 V HA 0.536 4.656 4.120 -0.000 0.000 0.304 61 V C 0.246 176.351 176.094 0.019 0.000 1.042 61 V CA -0.314 62.006 62.300 0.033 0.000 0.877 61 V CB 1.789 33.616 31.823 0.006 0.000 0.996 61 V HN 0.830 nan 8.190 nan 0.000 0.425 62 S N 3.273 118.975 115.700 0.004 0.000 2.618 62 S HA 0.913 5.383 4.470 -0.000 0.000 0.277 62 S C -1.052 173.510 174.600 -0.063 0.000 1.138 62 S CA -0.816 57.368 58.200 -0.027 0.000 0.844 62 S CB 2.079 65.270 63.200 -0.014 0.000 1.127 62 S HN 0.582 nan 8.310 nan 0.000 0.474 63 V N 0.520 120.379 119.914 -0.092 0.000 2.715 63 V HA 0.798 4.918 4.120 -0.000 0.000 0.310 63 V C -0.309 175.771 176.094 -0.023 0.000 1.054 63 V CA -0.943 61.280 62.300 -0.128 0.000 0.928 63 V CB 1.426 32.980 31.823 -0.448 0.000 1.007 63 V HN 1.031 nan 8.190 nan 0.000 0.437 64 R N 2.040 122.589 120.500 0.082 0.000 2.707 64 R HA 0.582 4.922 4.340 -0.000 0.000 0.272 64 R C -1.798 174.665 176.300 0.272 0.000 1.011 64 R CA -1.026 55.186 56.100 0.187 0.000 0.893 64 R CB 1.537 31.862 30.300 0.043 0.000 1.233 64 R HN 0.382 nan 8.270 nan 0.000 0.464 65 L N 2.756 124.105 121.223 0.209 0.000 2.461 65 L HA 0.079 4.419 4.340 -0.000 0.000 0.272 65 L C 0.837 177.706 176.870 -0.002 0.000 1.197 65 L CA 0.213 55.075 54.840 0.036 0.000 0.836 65 L CB 0.323 42.334 42.059 -0.081 0.000 1.105 65 L HN 0.656 nan 8.230 nan 0.000 0.477 66 Q N 1.424 121.191 119.800 -0.055 0.000 2.392 66 Q HA 0.190 4.530 4.340 -0.000 0.000 0.262 66 Q C -0.684 175.294 176.000 -0.036 0.000 1.003 66 Q CA -0.218 55.564 55.803 -0.034 0.000 0.888 66 Q CB 0.717 29.423 28.738 -0.054 0.000 1.260 66 Q HN 0.507 nan 8.270 nan 0.000 0.435 67 E N 0.923 121.128 120.200 0.009 0.000 2.283 67 E HA 0.244 4.594 4.350 -0.000 0.000 0.267 67 E C -0.776 175.825 176.600 0.002 0.000 1.045 67 E CA -0.883 55.524 56.400 0.013 0.000 0.884 67 E CB 1.039 30.773 29.700 0.057 0.000 1.106 67 E HN 0.438 nan 8.360 nan 0.000 0.408 68 R N 2.441 122.937 120.500 -0.008 0.000 2.235 68 R HA 0.158 4.498 4.340 -0.000 0.000 0.338 68 R C -0.255 176.051 176.300 0.010 0.000 1.087 68 R CA 0.241 56.333 56.100 -0.013 0.000 0.948 68 R CB -0.150 30.133 30.300 -0.029 0.000 1.099 68 R HN 0.593 nan 8.270 nan 0.000 0.483 69 L N 2.620 123.855 121.223 0.021 0.000 2.672 69 L HA 0.445 4.785 4.340 -0.000 0.000 0.236 69 L C 1.182 178.052 176.870 0.001 0.000 1.092 69 L CA -0.002 54.857 54.840 0.032 0.000 0.887 69 L CB 0.640 42.750 42.059 0.085 0.000 1.168 69 L HN 0.714 nan 8.230 nan 0.000 0.502 70 G N -0.281 108.513 108.800 -0.009 0.000 2.795 70 G HA2 0.419 4.379 3.960 -0.000 0.000 0.267 70 G HA3 0.419 4.379 3.960 -0.000 0.000 0.267 70 G C 0.468 175.355 174.900 -0.022 0.000 1.362 70 G CA 0.577 45.663 45.100 -0.022 0.000 1.048 70 G HN 0.062 nan 8.290 nan 0.000 0.547 71 T N -2.451 112.089 114.554 -0.024 0.000 3.144 71 T HA 0.391 4.741 4.350 -0.000 0.000 0.290 71 T C 0.422 175.112 174.700 -0.017 0.000 0.966 71 T CA -0.200 61.888 62.100 -0.020 0.000 0.907 71 T CB 0.051 68.908 68.868 -0.019 0.000 1.152 71 T HN 0.136 nan 8.240 nan 0.000 0.532 72 L N 1.193 122.404 121.223 -0.020 0.000 2.935 72 L HA 0.587 4.927 4.340 -0.000 0.000 0.214 72 L C 0.859 177.722 176.870 -0.012 0.000 1.574 72 L CA -1.382 53.450 54.840 -0.013 0.000 1.628 72 L CB 0.067 42.118 42.059 -0.014 0.000 2.455 72 L HN 0.179 nan 8.230 nan 0.000 0.578 73 R N 1.056 121.552 120.500 -0.006 0.000 2.537 73 R HA 0.125 4.465 4.340 -0.000 0.000 0.280 73 R C -2.234 174.054 176.300 -0.021 0.000 1.058 73 R CA -1.173 54.925 56.100 -0.004 0.000 1.057 73 R CB 0.344 30.649 30.300 0.007 0.000 0.973 73 R HN 0.220 nan 8.270 nan 0.000 0.438 74 P HA 0.131 nan 4.420 nan 0.000 0.268 74 P C -0.685 176.635 177.300 0.032 0.000 1.485 74 P CA 0.044 63.142 63.100 -0.003 0.000 1.102 74 P CB 1.113 32.809 31.700 -0.007 0.000 1.501 75 G N 2.256 111.011 108.800 -0.075 0.000 3.302 75 G HA2 0.158 4.118 3.960 -0.000 0.000 0.170 75 G HA3 0.158 4.118 3.960 -0.000 0.000 0.170 75 G C 0.714 175.456 174.900 -0.264 0.000 1.119 75 G CA -0.340 44.637 45.100 -0.205 0.000 0.826 75 G HN 0.185 nan 8.290 nan 0.000 0.646 76 K N -0.247 119.849 120.400 -0.507 0.000 2.097 76 K HA -0.051 4.269 4.320 -0.000 0.000 0.206 76 K C 2.407 178.862 176.600 -0.242 0.000 1.049 76 K CA 1.599 57.637 56.287 -0.415 0.000 0.933 76 K CB -0.782 31.343 32.500 -0.625 0.000 0.717 76 K HN 0.395 nan 8.250 nan 0.000 0.442 77 G N 1.417 110.074 108.800 -0.240 0.000 2.491 77 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.218 77 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.218 77 G C 1.102 175.955 174.900 -0.078 0.000 1.180 77 G CA 1.340 46.334 45.100 -0.176 0.000 0.774 77 G HN 0.328 nan 8.290 nan 0.000 0.562 78 D N 0.477 120.839 120.400 -0.063 0.000 2.123 78 D HA -0.077 4.563 4.640 -0.000 0.000 0.196 78 D C 2.662 178.973 176.300 0.019 0.000 0.992 78 D CA 1.346 55.339 54.000 -0.011 0.000 0.833 78 D CB -0.818 39.964 40.800 -0.029 0.000 0.954 78 D HN 0.300 nan 8.370 nan 0.000 0.455 79 G N 0.300 109.092 108.800 -0.013 0.000 2.459 79 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 79 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 79 G C 1.675 176.640 174.900 0.108 0.000 1.183 79 G CA 0.779 45.892 45.100 0.021 0.000 0.776 79 G HN 0.231 nan 8.290 nan 0.000 0.552 80 M N 0.144 119.792 119.600 0.080 0.000 2.200 80 M HA 0.006 4.486 4.480 -0.000 0.000 0.265 80 M C 2.345 178.818 176.300 0.290 0.000 1.066 80 M CA 1.098 56.488 55.300 0.151 0.000 1.127 80 M CB -0.306 32.224 32.600 -0.116 0.000 1.379 80 M HN 0.271 nan 8.290 nan 0.000 0.420 81 N N -0.641 118.203 118.700 0.241 0.000 2.309 81 N HA -0.101 4.639 4.740 -0.000 0.000 0.182 81 N C 1.407 177.115 175.510 0.329 0.000 1.018 81 N CA 1.311 54.569 53.050 0.347 0.000 0.876 81 N CB 0.001 38.669 38.487 0.302 0.000 0.972 81 N HN 0.268 nan 8.380 nan 0.000 0.434 82 T N 0.545 115.241 114.554 0.237 0.000 2.746 82 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 82 T C 2.067 176.902 174.700 0.224 0.000 1.039 82 T CA 1.226 63.446 62.100 0.199 0.000 1.142 82 T CB -0.262 68.685 68.868 0.132 0.000 0.866 82 T HN 0.326 nan 8.240 nan 0.000 0.444 83 A N 1.252 124.236 122.820 0.273 0.000 1.877 83 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 83 A C 2.194 179.970 177.584 0.321 0.000 1.186 83 A CA 1.161 53.375 52.037 0.295 0.000 0.620 83 A CB -0.872 18.330 19.000 0.337 0.000 0.822 83 A HN 0.337 nan 8.150 nan 0.000 0.443 84 L N -0.187 121.242 121.223 0.344 0.000 2.013 84 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 84 L C 2.617 179.475 176.870 -0.019 0.000 1.073 84 L CA 2.177 57.170 54.840 0.254 0.000 0.753 84 L CB -0.837 41.408 42.059 0.310 0.000 0.890 84 L HN 0.445 nan 8.230 nan 0.000 0.432 85 R N -1.809 118.550 120.500 -0.235 0.000 2.073 85 R HA -0.247 4.093 4.340 -0.000 0.000 0.234 85 R C 2.426 178.656 176.300 -0.117 0.000 1.134 85 R CA 1.946 57.755 56.100 -0.486 0.000 0.952 85 R CB -0.632 29.524 30.300 -0.239 0.000 0.850 85 R HN 0.391 nan 8.270 nan 0.000 0.433 86 Y N 0.549 120.835 120.300 -0.024 0.000 2.128 86 Y HA -0.315 4.235 4.550 -0.000 0.000 0.284 86 Y C 2.032 177.974 175.900 0.069 0.000 1.154 86 Y CA 2.116 60.238 58.100 0.036 0.000 1.149 86 Y CB -0.743 37.771 38.460 0.090 0.000 0.976 86 Y HN 0.138 nan 8.280 nan 0.000 0.505 87 F N 0.355 120.312 119.950 0.012 0.000 2.095 87 F HA -0.262 4.265 4.527 -0.000 0.000 0.298 87 F C 1.840 177.552 175.800 -0.146 0.000 1.104 87 F CA 2.027 60.006 58.000 -0.035 0.000 1.232 87 F CB -0.735 38.300 39.000 0.059 0.000 0.987 87 F HN 0.093 nan 8.300 nan 0.000 0.475 88 L N -0.389 120.650 121.223 -0.307 0.000 2.109 88 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 88 L C 2.190 178.850 176.870 -0.351 0.000 1.086 88 L CA 1.512 56.103 54.840 -0.415 0.000 0.760 88 L CB -0.522 41.384 42.059 -0.254 0.000 0.910 88 L HN 0.158 nan 8.230 nan 0.000 0.437 89 E N -0.700 119.321 120.200 -0.297 0.000 2.364 89 E HA -0.032 4.318 4.350 -0.000 0.000 0.196 89 E C 0.947 177.385 176.600 -0.271 0.000 0.990 89 E CA 0.280 56.541 56.400 -0.231 0.000 0.886 89 E CB 0.496 30.107 29.700 -0.149 0.000 0.866 89 E HN 0.438 nan 8.360 nan 0.000 0.493 90 E N 0.204 120.159 120.200 -0.408 0.000 2.676 90 E HA 0.047 4.397 4.350 -0.000 0.000 0.222 90 E C -0.105 176.168 176.600 -0.544 0.000 0.968 90 E CA 0.046 56.172 56.400 -0.457 0.000 1.090 90 E CB 1.359 30.760 29.700 -0.499 0.000 1.066 90 E HN 0.051 nan 8.360 nan 0.000 0.496 91 T N -2.532 111.685 114.554 -0.561 0.000 2.865 91 T HA 0.311 4.661 4.350 -0.000 0.000 0.294 91 T C 0.118 174.434 174.700 -0.640 0.000 1.119 91 T CA -0.708 61.023 62.100 -0.614 0.000 1.007 91 T CB 2.059 70.625 68.868 -0.504 0.000 1.225 91 T HN -0.236 nan 8.240 nan 0.000 0.515 92 Q N -0.229 119.071 119.800 -0.832 0.000 2.219 92 Q HA 0.366 4.706 4.340 -0.000 0.000 0.209 92 Q C -0.880 174.875 176.000 -0.407 0.000 0.854 92 Q CA -0.475 54.977 55.803 -0.585 0.000 0.960 92 Q CB 0.027 28.457 28.738 -0.513 0.000 1.116 92 Q HN 0.724 nan 8.270 nan 0.000 0.500 93 W N 0.353 121.613 121.300 -0.067 0.000 2.158 93 W HA 0.111 4.771 4.660 -0.000 0.000 0.339 93 W C 1.421 178.027 176.519 0.146 0.000 1.294 93 W CA -0.669 56.746 57.345 0.117 0.000 1.231 93 W CB 0.717 30.361 29.460 0.307 0.000 1.143 93 W HN 0.019 nan 8.180 nan 0.000 0.571 94 E N 1.023 121.510 120.200 0.478 0.000 2.299 94 E HA 0.053 4.403 4.350 -0.000 0.000 0.193 94 E C 0.192 177.018 176.600 0.377 0.000 0.998 94 E CA 0.751 57.346 56.400 0.325 0.000 0.851 94 E CB 0.202 30.042 29.700 0.233 0.000 0.795 94 E HN 0.434 nan 8.360 nan 0.000 0.492 95 R N -0.444 120.304 120.500 0.414 0.000 2.668 95 R HA 0.552 4.892 4.340 -0.000 0.000 0.272 95 R C -0.835 175.429 176.300 -0.061 0.000 1.019 95 R CA -0.532 55.669 56.100 0.169 0.000 0.894 95 R CB 2.393 32.732 30.300 0.066 0.000 1.228 95 R HN -0.066 nan 8.270 nan 0.000 0.460 96 I N 1.864 122.169 120.570 -0.442 0.000 2.498 96 I HA 0.391 4.561 4.170 -0.000 0.000 0.290 96 I C -0.711 175.115 176.117 -0.485 0.000 1.032 96 I CA -0.631 60.269 61.300 -0.668 0.000 1.073 96 I CB 1.283 38.466 38.000 -1.363 0.000 1.251 96 I HN 0.627 nan 8.210 nan 0.000 0.426 97 H N 6.750 125.540 119.070 -0.466 0.000 2.479 97 H HA 0.403 4.958 4.556 -0.000 0.000 0.335 97 H C -1.426 173.489 175.328 -0.688 0.000 1.142 97 H CA -0.339 55.450 56.048 -0.432 0.000 1.234 97 H CB 1.762 31.371 29.762 -0.255 0.000 1.503 97 H HN 0.380 nan 8.280 nan 0.000 0.510 98 F N 1.541 121.272 119.950 -0.364 0.000 2.520 98 F HA 0.331 4.858 4.527 -0.000 0.000 0.322 98 F C -0.789 174.674 175.800 -0.562 0.000 1.103 98 F CA -0.646 57.157 58.000 -0.327 0.000 0.926 98 F CB 1.335 40.265 39.000 -0.116 0.000 1.154 98 F HN 0.401 nan 8.300 nan 0.000 0.453 99 Y N 0.636 120.980 120.300 0.074 0.000 2.457 99 Y HA 0.305 4.855 4.550 -0.000 0.000 0.343 99 Y C -0.476 175.548 175.900 0.207 0.000 0.994 99 Y CA -1.555 56.613 58.100 0.114 0.000 1.031 99 Y CB 1.238 39.632 38.460 -0.110 0.000 1.246 99 Y HN 0.444 nan 8.280 nan 0.000 0.449 100 D N 1.225 121.863 120.400 0.396 0.000 2.472 100 D HA 0.165 4.805 4.640 -0.000 0.000 0.237 100 D C 0.834 177.325 176.300 0.317 0.000 1.141 100 D CA 0.466 54.666 54.000 0.333 0.000 0.875 100 D CB 1.469 42.438 40.800 0.281 0.000 1.192 100 D HN 0.773 nan 8.370 nan 0.000 0.450 101 A N 2.791 125.786 122.820 0.292 0.000 2.066 101 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 101 A C 1.534 179.142 177.584 0.040 0.000 1.157 101 A CA 1.044 53.164 52.037 0.138 0.000 0.670 101 A CB -0.126 18.971 19.000 0.162 0.000 0.804 101 A HN 0.629 nan 8.150 nan 0.000 0.453 102 D N 0.083 120.561 120.400 0.130 0.000 2.363 102 D HA -0.013 4.627 4.640 -0.000 0.000 0.220 102 D C 0.576 176.944 176.300 0.112 0.000 0.994 102 D CA -0.070 54.008 54.000 0.129 0.000 0.890 102 D CB -0.576 40.335 40.800 0.186 0.000 0.906 102 D HN 0.469 nan 8.370 nan 0.000 0.530 103 I N 1.827 122.442 120.570 0.075 0.000 2.668 103 I HA -0.062 4.108 4.170 -0.000 0.000 0.285 103 I C 1.464 177.583 176.117 0.003 0.000 1.168 103 I CA 0.545 61.870 61.300 0.042 0.000 1.424 103 I CB 0.884 38.857 38.000 -0.046 0.000 1.377 103 I HN 0.014 nan 8.210 nan 0.000 0.560 104 T N -1.008 113.568 114.554 0.037 0.000 3.044 104 T HA 0.037 4.387 4.350 -0.000 0.000 0.260 104 T C 0.936 175.647 174.700 0.019 0.000 1.019 104 T CA 0.221 62.329 62.100 0.012 0.000 0.921 104 T CB 0.065 68.927 68.868 -0.010 0.000 1.053 104 T HN 0.632 nan 8.240 nan 0.000 0.533 105 S N 0.475 116.203 115.700 0.047 0.000 2.561 105 S HA 0.408 4.878 4.470 -0.000 0.000 0.245 105 S C -0.209 174.379 174.600 -0.021 0.000 1.001 105 S CA -0.913 57.341 58.200 0.090 0.000 1.002 105 S CB -0.870 62.456 63.200 0.210 0.000 0.805 105 S HN 0.378 nan 8.310 nan 0.000 0.458 106 F N 2.579 122.255 119.950 -0.456 0.000 2.443 106 F HA 0.628 5.155 4.527 -0.000 0.000 0.353 106 F C 0.632 176.076 175.800 -0.593 0.000 1.101 106 F CA 0.092 57.482 58.000 -1.016 0.000 1.226 106 F CB 0.551 39.065 39.000 -0.810 0.000 1.140 106 F HN 0.319 nan 8.300 nan 0.000 0.557 107 G N 5.350 113.338 108.800 -1.353 0.000 2.690 107 G HA2 0.403 4.363 3.960 -0.000 0.000 0.291 107 G HA3 0.403 4.363 3.960 -0.000 0.000 0.291 107 G C -2.606 171.883 174.900 -0.685 0.000 1.403 107 G CA -1.179 43.524 45.100 -0.661 0.000 0.864 107 G HN 0.325 nan 8.290 nan 0.000 0.480 108 P HA -0.093 nan 4.420 nan 0.000 0.221 108 P C 0.814 178.124 177.300 0.015 0.000 1.145 108 P CA 0.880 63.910 63.100 -0.118 0.000 0.795 108 P CB 0.406 32.078 31.700 -0.047 0.000 0.775 109 D N -1.016 119.408 120.400 0.040 0.000 2.149 109 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 109 D C 1.780 178.213 176.300 0.222 0.000 0.990 109 D CA 0.986 55.073 54.000 0.144 0.000 0.839 109 D CB -0.389 40.491 40.800 0.133 0.000 0.948 109 D HN 0.180 nan 8.370 nan 0.000 0.460 110 W N 1.225 122.413 121.300 -0.188 0.000 2.335 110 W HA -0.055 4.605 4.660 -0.000 0.000 0.311 110 W C 2.460 179.044 176.519 0.108 0.000 1.213 110 W CA 0.207 57.491 57.345 -0.103 0.000 1.274 110 W CB -1.101 28.136 29.460 -0.372 0.000 1.148 110 W HN -0.004 nan 8.180 nan 0.000 0.498 111 I N -0.548 120.126 120.570 0.174 0.000 2.252 111 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 111 I C 2.286 178.494 176.117 0.153 0.000 1.102 111 I CA 1.680 63.038 61.300 0.098 0.000 1.385 111 I CB -1.095 36.626 38.000 -0.465 0.000 1.064 111 I HN -0.102 nan 8.210 nan 0.000 0.414 112 T N 0.931 115.609 114.554 0.205 0.000 2.684 112 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 112 T C 1.897 176.711 174.700 0.190 0.000 1.036 112 T CA 1.416 63.663 62.100 0.244 0.000 1.148 112 T CB -0.193 68.822 68.868 0.244 0.000 0.863 112 T HN 0.310 nan 8.240 nan 0.000 0.436 113 K N 1.097 121.614 120.400 0.196 0.000 2.057 113 K HA -0.001 4.319 4.320 -0.000 0.000 0.207 113 K C 2.687 179.375 176.600 0.147 0.000 1.049 113 K CA 1.240 57.620 56.287 0.156 0.000 0.931 113 K CB -0.309 32.282 32.500 0.152 0.000 0.714 113 K HN 0.296 nan 8.250 nan 0.000 0.440 114 A N 1.842 124.807 122.820 0.241 0.000 1.877 114 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 114 A C 2.006 179.651 177.584 0.101 0.000 1.186 114 A CA 1.356 53.481 52.037 0.146 0.000 0.620 114 A CB -0.278 18.878 19.000 0.261 0.000 0.822 114 A HN 0.174 nan 8.150 nan 0.000 0.443 115 E N 0.081 120.382 120.200 0.168 0.000 2.077 115 E HA -0.203 4.146 4.350 -0.000 0.000 0.193 115 E C 1.921 178.581 176.600 0.100 0.000 0.989 115 E CA 1.483 57.962 56.400 0.130 0.000 0.800 115 E CB -0.320 29.469 29.700 0.148 0.000 0.746 115 E HN 0.779 nan 8.360 nan 0.000 0.452 116 E N 0.576 120.830 120.200 0.091 0.000 2.072 116 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 116 E C 2.059 178.684 176.600 0.042 0.000 0.985 116 E CA 0.863 57.306 56.400 0.071 0.000 0.801 116 E CB -0.080 29.652 29.700 0.053 0.000 0.750 116 E HN 0.187 nan 8.360 nan 0.000 0.452 117 A N 1.501 124.293 122.820 -0.046 0.000 1.933 117 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 117 A C 2.386 180.051 177.584 0.135 0.000 1.175 117 A CA 1.672 53.629 52.037 -0.132 0.000 0.628 117 A CB -0.621 18.166 19.000 -0.356 0.000 0.814 117 A HN 0.294 nan 8.150 nan 0.000 0.444 118 A N 0.015 122.896 122.820 0.102 0.000 1.933 118 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 118 A C 1.710 179.374 177.584 0.133 0.000 1.175 118 A CA 1.832 53.945 52.037 0.127 0.000 0.628 118 A CB -0.563 18.475 19.000 0.064 0.000 0.814 118 A HN 0.454 nan 8.150 nan 0.000 0.444 119 D N -1.108 119.370 120.400 0.131 0.000 2.182 119 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 119 D C 1.430 177.803 176.300 0.121 0.000 0.986 119 D CA 0.931 55.000 54.000 0.115 0.000 0.847 119 D CB -0.389 40.483 40.800 0.120 0.000 0.942 119 D HN 0.469 nan 8.370 nan 0.000 0.467 120 F N -0.089 119.858 119.950 -0.004 0.000 2.365 120 F HA 0.058 4.585 4.527 -0.000 0.000 0.300 120 F C 1.892 177.607 175.800 -0.140 0.000 1.090 120 F CA 1.480 59.452 58.000 -0.048 0.000 1.408 120 F CB 0.384 39.380 39.000 -0.006 0.000 1.060 120 F HN 0.121 nan 8.300 nan 0.000 0.534 121 G N -2.316 106.480 108.800 -0.007 0.000 2.624 121 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.190 121 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.190 121 G C 0.049 174.891 174.900 -0.096 0.000 1.008 121 G CA -0.338 44.683 45.100 -0.132 0.000 0.731 121 G HN 0.193 nan 8.290 nan 0.000 0.478 122 Y N 0.935 121.282 120.300 0.079 0.000 2.652 122 Y HA 0.331 4.881 4.550 -0.000 0.000 0.344 122 Y C 1.908 177.832 175.900 0.039 0.000 1.254 122 Y CA 1.325 59.467 58.100 0.070 0.000 1.480 122 Y CB 0.955 39.469 38.460 0.090 0.000 1.345 122 Y HN 0.099 nan 8.280 nan 0.000 0.617 123 G N 1.707 110.632 108.800 0.208 0.000 2.545 123 G HA2 0.093 4.053 3.960 -0.000 0.000 0.212 123 G HA3 0.093 4.053 3.960 -0.000 0.000 0.212 123 G C -0.175 174.773 174.900 0.080 0.000 1.144 123 G CA 0.040 45.205 45.100 0.107 0.000 0.813 123 G HN 0.453 nan 8.290 nan 0.000 0.531 124 L N 1.346 122.627 121.223 0.097 0.000 2.410 124 L HA 0.629 4.969 4.340 -0.000 0.000 0.270 124 L C -1.568 175.318 176.870 0.026 0.000 0.983 124 L CA -0.628 54.231 54.840 0.031 0.000 0.822 124 L CB 2.510 44.575 42.059 0.010 0.000 1.285 124 L HN -0.158 nan 8.230 nan 0.000 0.409 125 V N 5.106 124.999 119.914 -0.035 0.000 2.444 125 V HA 0.528 4.648 4.120 -0.000 0.000 0.294 125 V C -0.299 175.709 176.094 -0.142 0.000 1.022 125 V CA -0.654 61.600 62.300 -0.077 0.000 0.850 125 V CB 1.977 33.740 31.823 -0.101 0.000 0.992 125 V HN 0.719 nan 8.190 nan 0.000 0.426 126 R N 3.657 124.079 120.500 -0.129 0.000 2.393 126 R HA 0.550 4.890 4.340 -0.000 0.000 0.310 126 R C -0.691 175.515 176.300 -0.157 0.000 0.968 126 R CA -0.801 55.242 56.100 -0.094 0.000 0.867 126 R CB 1.441 31.728 30.300 -0.022 0.000 1.124 126 R HN 0.703 nan 8.270 nan 0.000 0.450 127 H N 2.858 121.932 119.070 0.007 0.000 2.582 127 H HA 0.144 4.700 4.556 -0.000 0.000 0.345 127 H C -0.507 174.622 175.328 -0.332 0.000 1.104 127 H CA 0.114 56.046 56.048 -0.194 0.000 1.390 127 H CB 1.113 30.755 29.762 -0.201 0.000 1.461 127 H HN 0.598 nan 8.280 nan 0.000 0.551 128 Y N 0.774 120.681 120.300 -0.655 0.000 2.588 128 Y HA 0.601 5.151 4.550 -0.000 0.000 0.343 128 Y C -2.060 173.303 175.900 -0.894 0.000 1.065 128 Y CA -1.602 56.121 58.100 -0.628 0.000 1.038 128 Y CB 1.025 39.403 38.460 -0.137 0.000 1.297 128 Y HN 0.290 nan 8.280 nan 0.000 0.467 129 F N 1.533 121.425 119.950 -0.098 0.000 2.620 129 F HA 0.741 5.268 4.527 -0.000 0.000 0.320 129 F C -2.469 173.320 175.800 -0.018 0.000 1.069 129 F CA -2.579 55.243 58.000 -0.298 0.000 0.953 129 F CB 1.844 40.755 39.000 -0.149 0.000 1.322 129 F HN 0.316 nan 8.300 nan 0.000 0.479 130 P HA 0.242 nan 4.420 nan 0.000 0.271 130 P C -0.986 176.478 177.300 0.274 0.000 1.218 130 P CA -0.194 63.077 63.100 0.284 0.000 0.780 130 P CB 0.980 32.785 31.700 0.174 0.000 0.901 131 R N 0.869 121.574 120.500 0.341 0.000 2.725 131 R HA 0.618 4.958 4.340 -0.000 0.000 0.277 131 R C -0.502 176.015 176.300 0.362 0.000 0.987 131 R CA -1.036 55.252 56.100 0.313 0.000 0.901 131 R CB 2.533 33.038 30.300 0.341 0.000 1.207 131 R HN 0.543 nan 8.270 nan 0.000 0.463 132 A N 0.847 123.835 122.820 0.279 0.000 2.445 132 A HA 0.113 4.433 4.320 -0.000 0.000 0.242 132 A C 1.356 179.133 177.584 0.321 0.000 1.075 132 A CA 0.335 52.542 52.037 0.284 0.000 0.777 132 A CB 0.374 19.491 19.000 0.195 0.000 1.013 132 A HN 0.879 nan 8.150 nan 0.000 0.493 133 S N 0.753 116.659 115.700 0.344 0.000 2.442 133 S HA -0.140 4.330 4.470 -0.000 0.000 0.236 133 S C 1.150 175.892 174.600 0.237 0.000 1.007 133 S CA 1.702 60.028 58.200 0.210 0.000 0.965 133 S CB -0.740 62.534 63.200 0.124 0.000 0.773 133 S HN 1.308 nan 8.310 nan 0.000 0.504 134 T N -1.416 113.272 114.554 0.223 0.000 3.251 134 T HA 0.357 4.707 4.350 -0.000 0.000 0.259 134 T C -0.285 174.570 174.700 0.258 0.000 0.998 134 T CA -0.696 61.567 62.100 0.272 0.000 0.905 134 T CB -0.060 68.963 68.868 0.259 0.000 1.067 134 T HN 0.114 nan 8.240 nan 0.000 0.569 135 D N 1.146 121.689 120.400 0.238 0.000 2.440 135 D HA 0.615 5.255 4.640 -0.000 0.000 0.258 135 D C 0.838 177.286 176.300 0.246 0.000 1.092 135 D CA 0.101 54.242 54.000 0.234 0.000 1.016 135 D CB 1.441 42.381 40.800 0.235 0.000 1.141 135 D HN 0.261 nan 8.370 nan 0.000 0.552 136 A N 0.674 123.635 122.820 0.234 0.000 2.869 136 A HA -0.206 4.114 4.320 -0.000 0.000 0.280 136 A C 1.370 179.133 177.584 0.299 0.000 1.458 136 A CA 0.765 52.950 52.037 0.248 0.000 0.776 136 A CB -1.662 17.520 19.000 0.303 0.000 1.028 136 A HN 0.425 nan 8.150 nan 0.000 0.547 137 M N -1.167 118.591 119.600 0.264 0.000 2.419 137 M HA 0.067 4.547 4.480 -0.000 0.000 0.264 137 M C 1.975 178.561 176.300 0.476 0.000 1.082 137 M CA 1.423 56.883 55.300 0.266 0.000 1.119 137 M CB -0.807 31.834 32.600 0.068 0.000 1.398 137 M HN 0.714 nan 8.290 nan 0.000 0.453 138 I N -0.647 120.141 120.570 0.363 0.000 2.286 138 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 138 I C 2.251 178.428 176.117 0.100 0.000 1.104 138 I CA 1.064 62.451 61.300 0.144 0.000 1.397 138 I CB -0.706 37.235 38.000 -0.098 0.000 1.072 138 I HN 0.204 nan 8.210 nan 0.000 0.417 139 T N 0.076 114.663 114.554 0.055 0.000 2.665 139 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 139 T C 1.461 176.086 174.700 -0.125 0.000 1.035 139 T CA 1.997 64.047 62.100 -0.082 0.000 1.151 139 T CB -0.344 68.436 68.868 -0.148 0.000 0.862 139 T HN 0.389 nan 8.240 nan 0.000 0.438 140 W N 0.457 121.760 121.300 0.005 0.000 2.444 140 W HA 0.120 4.780 4.660 -0.000 0.000 0.308 140 W C 2.376 178.920 176.519 0.041 0.000 1.183 140 W CA 0.233 57.552 57.345 -0.044 0.000 1.340 140 W CB -0.151 29.211 29.460 -0.163 0.000 1.138 140 W HN 0.109 nan 8.180 nan 0.000 0.510 141 M N -0.852 118.957 119.600 0.349 0.000 2.506 141 M HA 0.082 4.562 4.480 -0.000 0.000 0.260 141 M C 1.538 178.237 176.300 0.665 0.000 1.104 141 M CA 1.276 56.816 55.300 0.400 0.000 1.112 141 M CB -0.922 31.741 32.600 0.104 0.000 1.401 141 M HN 0.142 nan 8.290 nan 0.000 0.473 142 I N -1.156 119.680 120.570 0.444 0.000 3.345 142 I HA -0.060 4.110 4.170 -0.000 0.000 0.258 142 I C 2.011 178.236 176.117 0.179 0.000 1.134 142 I CA 0.628 62.185 61.300 0.428 0.000 1.457 142 I CB -0.094 38.045 38.000 0.233 0.000 1.425 142 I HN 0.113 nan 8.210 nan 0.000 0.461 143 T N 0.932 115.463 114.554 -0.039 0.000 2.698 143 T HA -0.054 4.296 4.350 -0.000 0.000 0.260 143 T C 1.971 176.409 174.700 -0.437 0.000 1.044 143 T CA 1.085 62.983 62.100 -0.337 0.000 1.149 143 T CB -0.241 68.433 68.868 -0.323 0.000 0.864 143 T HN 0.161 nan 8.240 nan 0.000 0.419 144 R N 0.663 121.031 120.500 -0.220 0.000 2.096 144 R HA -0.043 4.297 4.340 -0.000 0.000 0.235 144 R C 2.733 179.038 176.300 0.009 0.000 1.127 144 R CA 1.448 57.486 56.100 -0.103 0.000 0.968 144 R CB -0.762 29.385 30.300 -0.255 0.000 0.861 144 R HN 0.315 nan 8.270 nan 0.000 0.440 145 T N 0.124 114.704 114.554 0.042 0.000 2.708 145 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 145 T C 1.897 176.422 174.700 -0.291 0.000 1.037 145 T CA 1.619 63.734 62.100 0.024 0.000 1.146 145 T CB -0.536 68.420 68.868 0.146 0.000 0.865 145 T HN 0.538 nan 8.240 nan 0.000 0.435 146 G N 0.889 109.473 108.800 -0.359 0.000 2.446 146 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 146 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 146 G C 1.275 176.189 174.900 0.022 0.000 1.168 146 G CA 0.526 45.421 45.100 -0.342 0.000 0.771 146 G HN 0.378 nan 8.290 nan 0.000 0.551 147 F N 1.888 121.914 119.950 0.126 0.000 2.126 147 F HA 0.005 4.532 4.527 -0.000 0.000 0.299 147 F C 3.024 178.939 175.800 0.192 0.000 1.096 147 F CA 0.358 58.547 58.000 0.315 0.000 1.255 147 F CB -0.990 38.138 39.000 0.213 0.000 0.997 147 F HN 0.275 nan 8.300 nan 0.000 0.479 148 A N -0.259 122.706 122.820 0.243 0.000 1.930 148 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 148 A C 2.317 179.923 177.584 0.036 0.000 1.175 148 A CA 1.135 53.248 52.037 0.126 0.000 0.627 148 A CB -0.946 18.122 19.000 0.112 0.000 0.815 148 A HN 0.372 nan 8.150 nan 0.000 0.443 149 L N -1.112 120.049 121.223 -0.103 0.000 2.240 149 L HA 0.010 4.350 4.340 -0.000 0.000 0.211 149 L C 2.106 178.859 176.870 -0.196 0.000 1.106 149 L CA 0.631 55.349 54.840 -0.204 0.000 0.793 149 L CB -0.147 41.625 42.059 -0.478 0.000 0.927 149 L HN 0.351 nan 8.230 nan 0.000 0.446 150 L N -2.437 118.614 121.223 -0.288 0.000 2.470 150 L HA 0.061 4.401 4.340 -0.000 0.000 0.219 150 L C 0.361 176.753 176.870 -0.797 0.000 1.071 150 L CA 0.059 54.483 54.840 -0.694 0.000 0.850 150 L CB 0.299 41.585 42.059 -1.288 0.000 1.040 150 L HN 0.281 nan 8.230 nan 0.000 0.475 151 W N 0.763 122.133 121.300 0.117 0.000 1.590 151 W HA 0.295 4.955 4.660 -0.000 0.000 0.299 151 W C -2.034 174.537 176.519 0.086 0.000 0.872 151 W CA -1.197 56.213 57.345 0.109 0.000 1.961 151 W CB 0.117 29.634 29.460 0.094 0.000 2.140 151 W HN -0.071 nan 8.180 nan 0.000 0.433 152 P HA -0.186 nan 4.420 nan 0.000 0.220 152 P C 0.959 178.276 177.300 0.028 0.000 1.148 152 P CA 1.640 64.767 63.100 0.046 0.000 0.803 152 P CB 0.248 31.883 31.700 -0.107 0.000 0.782 153 H N -0.501 118.689 119.070 0.200 0.000 2.526 153 H HA 0.134 4.690 4.556 -0.000 0.000 0.274 153 H C 1.062 176.489 175.328 0.166 0.000 0.999 153 H CA 0.686 56.839 56.048 0.175 0.000 1.157 153 H CB 0.030 29.866 29.762 0.123 0.000 1.407 153 H HN 0.257 nan 8.280 nan 0.000 0.568 154 T N -2.329 112.388 114.554 0.273 0.000 2.937 154 T HA 0.168 4.518 4.350 -0.000 0.000 0.283 154 T C 1.194 176.005 174.700 0.184 0.000 1.012 154 T CA -0.748 61.446 62.100 0.157 0.000 0.997 154 T CB 2.422 71.323 68.868 0.055 0.000 1.136 154 T HN -0.121 nan 8.240 nan 0.000 0.551 155 E N -0.199 120.031 120.200 0.050 0.000 2.338 155 E HA 0.058 4.408 4.350 -0.000 0.000 0.197 155 E C 1.795 178.422 176.600 0.044 0.000 1.007 155 E CA 0.648 57.089 56.400 0.068 0.000 0.849 155 E CB -0.831 28.802 29.700 -0.112 0.000 0.774 155 E HN 0.667 nan 8.360 nan 0.000 0.506 156 L N 0.144 121.288 121.223 -0.130 0.000 1.997 156 L HA -0.282 4.058 4.340 -0.000 0.000 0.216 156 L C 2.360 179.180 176.870 -0.083 0.000 1.074 156 L CA 1.871 56.480 54.840 -0.384 0.000 0.763 156 L CB -0.741 40.830 42.059 -0.814 0.000 0.890 156 L HN 0.222 nan 8.230 nan 0.000 0.434 157 S N -2.074 113.687 115.700 0.102 0.000 2.555 157 S HA -0.142 4.328 4.470 -0.000 0.000 0.230 157 S C 1.381 175.945 174.600 -0.060 0.000 0.978 157 S CA 0.192 58.453 58.200 0.101 0.000 0.934 157 S CB -0.637 62.579 63.200 0.026 0.000 0.766 157 S HN 0.481 nan 8.310 nan 0.000 0.533 158 W N 1.497 122.834 121.300 0.062 0.000 2.863 158 W HA 0.454 5.114 4.660 -0.000 0.000 0.258 158 W C 0.497 177.078 176.519 0.102 0.000 1.298 158 W CA -0.877 56.533 57.345 0.109 0.000 1.451 158 W CB -0.164 29.391 29.460 0.157 0.000 1.107 158 W HN 0.155 nan 8.180 nan 0.000 0.641 159 I N 2.191 122.850 120.570 0.150 0.000 2.668 159 I HA -0.120 4.050 4.170 -0.000 0.000 0.285 159 I C 1.632 177.740 176.117 -0.014 0.000 1.168 159 I CA 0.126 61.441 61.300 0.025 0.000 1.424 159 I CB 0.954 38.904 38.000 -0.082 0.000 1.377 159 I HN -0.030 nan 8.210 nan 0.000 0.560 160 E N 4.466 124.617 120.200 -0.082 0.000 2.028 160 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 160 E C 0.323 176.849 176.600 -0.123 0.000 0.988 160 E CA 1.513 57.824 56.400 -0.149 0.000 0.799 160 E CB 0.049 29.494 29.700 -0.424 0.000 0.755 160 E HN 0.615 nan 8.360 nan 0.000 0.447 161 Q N 0.101 119.875 119.800 -0.045 0.000 3.122 161 Q HA 0.153 4.493 4.340 -0.000 0.000 0.282 161 Q C -2.031 173.997 176.000 0.045 0.000 0.947 161 Q CA -1.253 54.560 55.803 0.016 0.000 0.812 161 Q CB 1.688 30.513 28.738 0.146 0.000 1.333 161 Q HN 0.021 nan 8.270 nan 0.000 0.430 162 P HA -0.141 nan 4.420 nan 0.000 0.225 162 P C 0.604 177.963 177.300 0.099 0.000 1.148 162 P CA 0.964 64.126 63.100 0.104 0.000 0.779 162 P CB 0.390 32.213 31.700 0.205 0.000 0.780 163 L N -1.370 119.891 121.223 0.064 0.000 2.592 163 L HA 0.235 4.575 4.340 -0.000 0.000 0.227 163 L C 1.405 178.348 176.870 0.123 0.000 1.127 163 L CA -0.286 54.598 54.840 0.074 0.000 0.884 163 L CB -0.724 41.352 42.059 0.029 0.000 1.065 163 L HN -0.076 nan 8.230 nan 0.000 0.457 164 G N 0.052 108.943 108.800 0.151 0.000 2.305 164 G HA2 0.200 4.160 3.960 -0.000 0.000 0.243 164 G HA3 0.200 4.160 3.960 -0.000 0.000 0.243 164 G C 0.946 175.978 174.900 0.220 0.000 1.288 164 G CA 0.167 45.400 45.100 0.221 0.000 0.901 164 G HN 0.321 nan 8.290 nan 0.000 0.516 165 G N 1.344 110.296 108.800 0.253 0.000 3.141 165 G HA2 0.258 4.218 3.960 -0.000 0.000 0.218 165 G HA3 0.258 4.218 3.960 -0.000 0.000 0.218 165 G C 0.270 175.330 174.900 0.267 0.000 1.170 165 G CA -0.155 45.081 45.100 0.228 0.000 0.769 165 G HN 0.544 nan 8.290 nan 0.000 0.546 166 E N 0.343 120.752 120.200 0.349 0.000 2.102 166 E HA 0.564 4.914 4.350 -0.000 0.000 0.263 166 E C -0.550 176.283 176.600 0.388 0.000 0.894 166 E CA -0.455 56.185 56.400 0.400 0.000 0.746 166 E CB 1.545 31.680 29.700 0.726 0.000 1.129 166 E HN 0.274 nan 8.360 nan 0.000 0.416 167 L N 0.223 121.550 121.223 0.174 0.000 2.671 167 L HA 0.650 4.990 4.340 -0.000 0.000 0.259 167 L C -1.547 175.286 176.870 -0.062 0.000 1.021 167 L CA -1.107 53.778 54.840 0.075 0.000 0.871 167 L CB 1.052 43.150 42.059 0.066 0.000 1.472 167 L HN 0.410 nan 8.230 nan 0.000 0.410 168 L N 1.930 123.063 121.223 -0.150 0.000 2.385 168 L HA 0.857 5.197 4.340 -0.000 0.000 0.273 168 L C -1.096 175.672 176.870 -0.170 0.000 0.990 168 L CA -0.576 54.088 54.840 -0.294 0.000 0.821 168 L CB 1.780 43.566 42.059 -0.455 0.000 1.279 168 L HN 0.928 nan 8.230 nan 0.000 0.412 169 M N 3.857 123.356 119.600 -0.168 0.000 2.530 169 M HA 0.624 5.104 4.480 -0.000 0.000 0.307 169 M C -0.863 175.400 176.300 -0.061 0.000 1.161 169 M CA -0.882 54.365 55.300 -0.089 0.000 0.903 169 M CB 2.079 34.636 32.600 -0.071 0.000 1.711 169 M HN 0.500 nan 8.290 nan 0.000 0.451 170 R N 0.743 121.257 120.500 0.023 0.000 2.553 170 R HA 0.489 4.829 4.340 -0.000 0.000 0.263 170 R C 0.638 177.048 176.300 0.183 0.000 1.066 170 R CA -0.855 55.306 56.100 0.101 0.000 1.135 170 R CB 1.150 31.504 30.300 0.089 0.000 1.148 170 R HN 0.955 nan 8.270 nan 0.000 0.558 171 R N 0.812 121.474 120.500 0.269 0.000 2.112 171 R HA -0.222 4.118 4.340 -0.000 0.000 0.242 171 R C 1.942 178.342 176.300 0.167 0.000 1.137 171 R CA 2.470 58.742 56.100 0.287 0.000 0.944 171 R CB -0.222 30.146 30.300 0.114 0.000 0.857 171 R HN 0.867 nan 8.270 nan 0.000 0.435 172 E N 0.189 120.449 120.200 0.101 0.000 2.150 172 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 172 E C 1.999 178.641 176.600 0.071 0.000 0.985 172 E CA 1.385 57.826 56.400 0.068 0.000 0.814 172 E CB -0.458 29.267 29.700 0.042 0.000 0.752 172 E HN 0.336 nan 8.360 nan 0.000 0.466 173 V N 2.229 122.186 119.914 0.071 0.000 2.307 173 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 173 V C 2.769 178.900 176.094 0.060 0.000 1.045 173 V CA 1.933 64.261 62.300 0.048 0.000 1.024 173 V CB -0.960 30.878 31.823 0.024 0.000 0.651 173 V HN 0.430 nan 8.190 nan 0.000 0.449 174 A N 0.199 123.085 122.820 0.110 0.000 1.883 174 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 174 A C 2.462 180.159 177.584 0.189 0.000 1.186 174 A CA 2.329 54.458 52.037 0.154 0.000 0.624 174 A CB -0.969 18.222 19.000 0.319 0.000 0.822 174 A HN 0.586 nan 8.150 nan 0.000 0.444 175 A N -0.826 122.097 122.820 0.171 0.000 1.917 175 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 175 A C 2.247 179.923 177.584 0.154 0.000 1.182 175 A CA 2.247 54.376 52.037 0.154 0.000 0.633 175 A CB -0.554 18.498 19.000 0.088 0.000 0.819 175 A HN 0.565 nan 8.150 nan 0.000 0.448 176 M N -0.317 119.347 119.600 0.106 0.000 2.117 176 M HA -0.076 4.404 4.480 -0.000 0.000 0.262 176 M C 1.998 178.352 176.300 0.090 0.000 1.065 176 M CA 1.727 57.074 55.300 0.078 0.000 1.114 176 M CB -0.804 31.825 32.600 0.049 0.000 1.361 176 M HN 0.435 nan 8.290 nan 0.000 0.408 177 L N -1.121 120.164 121.223 0.102 0.000 2.027 177 L HA -0.236 4.104 4.340 -0.000 0.000 0.206 177 L C 2.565 179.539 176.870 0.173 0.000 1.074 177 L CA 1.396 56.310 54.840 0.123 0.000 0.745 177 L CB -1.107 40.992 42.059 0.066 0.000 0.898 177 L HN 0.262 nan 8.230 nan 0.000 0.433 178 Y N 1.014 121.372 120.300 0.096 0.000 2.274 178 Y HA -0.258 4.292 4.550 -0.000 0.000 0.290 178 Y C 2.457 178.407 175.900 0.083 0.000 1.145 178 Y CA 1.462 59.629 58.100 0.111 0.000 1.203 178 Y CB 0.015 38.548 38.460 0.121 0.000 0.984 178 Y HN 0.121 nan 8.280 nan 0.000 0.533 179 E N 0.669 120.913 120.200 0.072 0.000 2.160 179 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 179 E C 0.292 176.859 176.600 -0.054 0.000 0.991 179 E CA 0.989 57.388 56.400 -0.002 0.000 0.810 179 E CB -0.431 29.301 29.700 0.054 0.000 0.742 179 E HN 0.346 nan 8.360 nan 0.000 0.466 180 D N -0.005 120.382 120.400 -0.022 0.000 2.339 180 D HA -0.058 4.582 4.640 -0.000 0.000 0.256 180 D C 0.999 177.277 176.300 -0.037 0.000 1.214 180 D CA 0.035 54.031 54.000 -0.007 0.000 0.877 180 D CB 1.082 41.904 40.800 0.038 0.000 1.111 180 D HN 0.005 nan 8.370 nan 0.000 0.478 181 E N 4.681 124.858 120.200 -0.038 0.000 2.114 181 E HA -0.273 4.077 4.350 -0.000 0.000 0.199 181 E C 1.507 178.088 176.600 -0.032 0.000 1.008 181 E CA 1.699 58.072 56.400 -0.044 0.000 0.810 181 E CB 0.070 29.751 29.700 -0.031 0.000 0.739 181 E HN 0.427 nan 8.360 nan 0.000 0.456 182 R N -0.184 120.308 120.500 -0.013 0.000 2.091 182 R HA -0.094 4.246 4.340 -0.000 0.000 0.238 182 R C 2.600 178.893 176.300 -0.012 0.000 1.136 182 R CA 1.556 57.648 56.100 -0.013 0.000 0.959 182 R CB -0.722 29.578 30.300 -0.001 0.000 0.856 182 R HN 0.371 nan 8.270 nan 0.000 0.437 183 V N -0.483 119.440 119.914 0.014 0.000 2.599 183 V HA -0.005 4.115 4.120 -0.000 0.000 0.245 183 V C 2.146 178.242 176.094 0.004 0.000 1.046 183 V CA 1.172 63.492 62.300 0.033 0.000 1.065 183 V CB -0.147 31.769 31.823 0.155 0.000 0.703 183 V HN 0.075 nan 8.190 nan 0.000 0.464 184 R N 2.068 122.554 120.500 -0.024 0.000 2.103 184 R HA -0.172 4.168 4.340 -0.000 0.000 0.242 184 R C 2.507 178.780 176.300 -0.046 0.000 1.142 184 R CA 2.542 58.605 56.100 -0.063 0.000 0.960 184 R CB -0.740 29.471 30.300 -0.148 0.000 0.858 184 R HN 0.779 nan 8.270 nan 0.000 0.439 185 R N -1.049 119.424 120.500 -0.045 0.000 2.275 185 R HA 0.091 4.431 4.340 -0.000 0.000 0.199 185 R C 0.597 176.871 176.300 -0.043 0.000 0.989 185 R CA 0.418 56.494 56.100 -0.040 0.000 1.016 185 R CB -0.088 30.191 30.300 -0.036 0.000 0.918 185 R HN -0.147 nan 8.270 nan 0.000 0.473 186 R N 1.958 122.426 120.500 -0.054 0.000 4.164 186 R HA 0.061 4.401 4.340 -0.000 0.000 0.195 186 R C 0.507 176.754 176.300 -0.089 0.000 1.712 186 R CA 0.158 56.215 56.100 -0.072 0.000 1.457 186 R CB -0.078 30.167 30.300 -0.093 0.000 1.387 186 R HN 0.468 nan 8.270 nan 0.000 0.785 187 S N -1.144 114.514 115.700 -0.069 0.000 2.515 187 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 187 S C 0.735 175.264 174.600 -0.119 0.000 0.987 187 S CA 0.516 58.669 58.200 -0.078 0.000 0.936 187 S CB -0.305 62.864 63.200 -0.052 0.000 0.766 187 S HN 0.566 nan 8.310 nan 0.000 0.528 188 D N 0.058 120.392 120.400 -0.111 0.000 2.440 188 D HA 0.142 4.782 4.640 -0.000 0.000 0.282 188 D C 0.585 176.774 176.300 -0.184 0.000 1.189 188 D CA -0.906 53.007 54.000 -0.145 0.000 1.105 188 D CB -0.723 40.054 40.800 -0.038 0.000 1.173 188 D HN 0.290 nan 8.370 nan 0.000 0.577 189 W N -0.453 120.811 121.300 -0.059 0.000 2.825 189 W HA 0.254 4.914 4.660 -0.000 0.000 0.243 189 W C 2.222 178.686 176.519 -0.093 0.000 1.293 189 W CA 0.263 57.566 57.345 -0.070 0.000 1.403 189 W CB 0.002 29.427 29.460 -0.058 0.000 1.134 189 W HN 0.543 nan 8.180 nan 0.000 0.666 190 G N 0.405 109.260 108.800 0.093 0.000 2.559 190 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 190 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 190 G C 1.364 176.224 174.900 -0.067 0.000 1.126 190 G CA 0.562 45.666 45.100 0.007 0.000 0.778 190 G HN 0.364 nan 8.290 nan 0.000 0.543 191 I N 0.373 120.861 120.570 -0.136 0.000 2.226 191 I HA -0.140 4.030 4.170 -0.000 0.000 0.245 191 I C 2.049 177.902 176.117 -0.441 0.000 1.100 191 I CA 1.452 62.541 61.300 -0.351 0.000 1.374 191 I CB -0.011 37.703 38.000 -0.476 0.000 1.057 191 I HN 0.129 nan 8.210 nan 0.000 0.413 192 D N -0.106 120.166 120.400 -0.215 0.000 2.144 192 D HA -0.172 4.468 4.640 -0.000 0.000 0.199 192 D C 1.989 178.307 176.300 0.030 0.000 0.984 192 D CA 1.801 55.754 54.000 -0.078 0.000 0.834 192 D CB -0.256 40.572 40.800 0.047 0.000 0.955 192 D HN 0.388 nan 8.370 nan 0.000 0.465 193 T N 1.950 116.522 114.554 0.031 0.000 2.684 193 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 193 T C 2.028 176.827 174.700 0.165 0.000 1.036 193 T CA 0.464 62.630 62.100 0.111 0.000 1.148 193 T CB -0.108 68.778 68.868 0.030 0.000 0.863 193 T HN 0.068 nan 8.240 nan 0.000 0.436 194 L N -0.129 121.123 121.223 0.047 0.000 2.027 194 L HA -0.058 4.282 4.340 -0.000 0.000 0.206 194 L C 2.465 179.457 176.870 0.204 0.000 1.074 194 L CA 1.870 56.760 54.840 0.082 0.000 0.745 194 L CB -1.217 40.828 42.059 -0.024 0.000 0.898 194 L HN 0.300 nan 8.230 nan 0.000 0.433 195 Y N 0.740 121.074 120.300 0.057 0.000 2.114 195 Y HA -0.239 4.311 4.550 -0.000 0.000 0.282 195 Y C 2.900 178.820 175.900 0.033 0.000 1.165 195 Y CA 1.435 59.554 58.100 0.031 0.000 1.148 195 Y CB -1.562 36.892 38.460 -0.009 0.000 0.972 195 Y HN 0.209 nan 8.280 nan 0.000 0.504 196 T N 0.422 115.114 114.554 0.230 0.000 2.684 196 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 196 T C 1.755 176.465 174.700 0.016 0.000 1.036 196 T CA 1.587 63.760 62.100 0.121 0.000 1.148 196 T CB -0.786 68.193 68.868 0.185 0.000 0.863 196 T HN 0.294 nan 8.240 nan 0.000 0.436 197 F N 1.772 121.693 119.950 -0.048 0.000 2.084 197 F HA -0.102 4.425 4.527 -0.000 0.000 0.296 197 F C 2.432 178.114 175.800 -0.197 0.000 1.111 197 F CA 1.385 59.258 58.000 -0.213 0.000 1.224 197 F CB -0.533 38.377 39.000 -0.149 0.000 0.991 197 F HN 0.017 nan 8.300 nan 0.000 0.471 198 V N -0.443 119.544 119.914 0.122 0.000 2.548 198 V HA -0.155 3.965 4.120 -0.000 0.000 0.249 198 V C 2.187 178.226 176.094 -0.091 0.000 1.055 198 V CA 2.323 64.640 62.300 0.028 0.000 1.065 198 V CB -1.317 30.595 31.823 0.149 0.000 0.681 198 V HN 0.589 nan 8.190 nan 0.000 0.462 199 T N -0.994 113.519 114.554 -0.068 0.000 2.746 199 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 199 T C 1.874 176.474 174.700 -0.167 0.000 1.039 199 T CA 1.944 63.992 62.100 -0.088 0.000 1.142 199 T CB -1.003 67.830 68.868 -0.058 0.000 0.866 199 T HN 0.386 nan 8.240 nan 0.000 0.444 200 V N 1.922 121.672 119.914 -0.274 0.000 2.427 200 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 200 V C 2.908 178.769 176.094 -0.388 0.000 1.051 200 V CA 1.997 64.086 62.300 -0.351 0.000 1.048 200 V CB -0.889 30.646 31.823 -0.481 0.000 0.666 200 V HN 0.556 nan 8.190 nan 0.000 0.456 201 Q N -0.593 118.902 119.800 -0.509 0.000 2.224 201 Q HA -0.206 4.134 4.340 -0.000 0.000 0.203 201 Q C 2.095 177.963 176.000 -0.220 0.000 0.970 201 Q CA 1.111 56.648 55.803 -0.445 0.000 0.865 201 Q CB 0.061 28.490 28.738 -0.515 0.000 0.922 201 Q HN 0.552 nan 8.270 nan 0.000 0.445 202 Q N -0.969 118.734 119.800 -0.161 0.000 2.451 202 Q HA 0.072 4.412 4.340 -0.000 0.000 0.206 202 Q C 0.907 176.860 176.000 -0.078 0.000 0.947 202 Q CA 0.879 56.629 55.803 -0.089 0.000 0.937 202 Q CB 0.684 29.390 28.738 -0.054 0.000 1.025 202 Q HN 0.573 nan 8.270 nan 0.000 0.511 203 G N 0.798 109.537 108.800 -0.102 0.000 2.160 203 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.251 203 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.251 203 G C 0.240 175.115 174.900 -0.042 0.000 1.008 203 G CA 0.289 45.345 45.100 -0.072 0.000 0.724 203 G HN 0.231 nan 8.290 nan 0.000 0.514 204 V N 1.449 121.338 119.914 -0.043 0.000 2.694 204 V HA 0.351 4.471 4.120 -0.000 0.000 0.306 204 V C 1.406 177.515 176.094 0.025 0.000 1.054 204 V CA 0.592 62.887 62.300 -0.008 0.000 1.161 204 V CB 1.161 32.976 31.823 -0.014 0.000 0.916 204 V HN 1.083 nan 8.190 nan 0.000 0.490 205 S N 6.223 121.968 115.700 0.075 0.000 2.523 205 S HA 0.654 5.124 4.470 -0.000 0.000 0.275 205 S C -0.662 174.104 174.600 0.276 0.000 1.281 205 S CA -0.632 57.669 58.200 0.168 0.000 1.050 205 S CB 0.518 63.809 63.200 0.152 0.000 0.937 205 S HN 0.472 nan 8.310 nan 0.000 0.492 206 I N 3.108 123.848 120.570 0.283 0.000 2.465 206 I HA 0.407 4.577 4.170 -0.000 0.000 0.291 206 I C -1.056 175.121 176.117 0.100 0.000 1.014 206 I CA -0.918 60.491 61.300 0.183 0.000 1.093 206 I CB 1.736 39.779 38.000 0.072 0.000 1.267 206 I HN 0.767 nan 8.210 nan 0.000 0.431 207 Y N 5.009 125.106 120.300 -0.339 0.000 2.409 207 Y HA 0.421 4.971 4.550 -0.000 0.000 0.343 207 Y C -0.636 175.095 175.900 -0.283 0.000 0.973 207 Y CA -0.576 57.171 58.100 -0.588 0.000 1.064 207 Y CB 1.612 39.296 38.460 -1.294 0.000 1.207 207 Y HN 0.497 nan 8.280 nan 0.000 0.452 208 E N 5.396 125.171 120.200 -0.709 0.000 2.092 208 E HA 0.267 4.617 4.350 -0.000 0.000 0.271 208 E C -1.041 175.318 176.600 -0.401 0.000 0.919 208 E CA -0.670 55.489 56.400 -0.401 0.000 0.760 208 E CB 0.984 30.490 29.700 -0.323 0.000 1.106 208 E HN 0.557 nan 8.360 nan 0.000 0.408 209 C N 3.478 122.712 119.300 -0.111 0.000 2.632 209 C HA 0.060 4.520 4.460 -0.000 0.000 0.415 209 C C -0.066 174.913 174.990 -0.018 0.000 1.332 209 C CA -0.138 58.892 59.018 0.021 0.000 1.874 209 C CB -0.906 26.794 27.740 -0.067 0.000 2.596 209 C HN 0.631 nan 8.230 nan 0.000 0.590 210 Y N 4.587 124.746 120.300 -0.234 0.000 2.328 210 Y HA 0.589 5.139 4.550 -0.000 0.000 0.337 210 Y C -0.009 175.614 175.900 -0.463 0.000 1.008 210 Y CA -0.646 57.104 58.100 -0.584 0.000 1.129 210 Y CB 0.472 38.630 38.460 -0.503 0.000 1.185 210 Y HN 0.578 nan 8.280 nan 0.000 0.476 211 I N 9.899 129.797 120.570 -1.119 0.000 2.337 211 I HA 0.246 4.416 4.170 -0.000 0.000 0.285 211 I C -1.610 173.975 176.117 -0.887 0.000 1.041 211 I CA -1.958 58.818 61.300 -0.873 0.000 1.199 211 I CB 1.574 38.995 38.000 -0.964 0.000 1.370 211 I HN 0.575 nan 8.210 nan 0.000 0.470 212 P HA -0.162 nan 4.420 nan 0.000 0.223 212 P C 0.941 178.106 177.300 -0.226 0.000 1.151 212 P CA 1.146 63.949 63.100 -0.494 0.000 0.787 212 P CB 0.143 31.568 31.700 -0.459 0.000 0.788 213 E N 0.397 120.518 120.200 -0.131 0.000 2.427 213 E HA 0.103 4.453 4.350 -0.000 0.000 0.196 213 E C 0.988 177.644 176.600 0.094 0.000 1.028 213 E CA 0.814 57.235 56.400 0.036 0.000 0.864 213 E CB -0.726 29.040 29.700 0.110 0.000 0.813 213 E HN 0.166 nan 8.360 nan 0.000 0.514 214 G N 1.709 110.538 108.800 0.048 0.000 2.756 214 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.678 214 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.678 214 G C -0.925 174.019 174.900 0.072 0.000 1.349 214 G CA -0.135 45.021 45.100 0.093 0.000 0.847 214 G HN 0.244 nan 8.290 nan 0.000 0.548 215 K N 0.552 120.820 120.400 -0.220 0.000 2.423 215 K HA 0.632 4.952 4.320 -0.000 0.000 0.234 215 K C 0.578 177.155 176.600 -0.039 0.000 1.051 215 K CA 0.074 56.186 56.287 -0.292 0.000 1.021 215 K CB 0.179 31.992 32.500 -1.144 0.000 1.474 215 K HN 1.320 nan 8.250 nan 0.000 0.474 216 A N 4.066 126.955 122.820 0.115 0.000 2.454 216 A HA 0.236 4.556 4.320 -0.000 0.000 0.260 216 A C -0.449 177.265 177.584 0.217 0.000 1.106 216 A CA 0.069 52.204 52.037 0.162 0.000 0.780 216 A CB -0.285 18.782 19.000 0.111 0.000 1.044 216 A HN 1.019 nan 8.150 nan 0.000 0.498 217 H N 0.551 119.644 119.070 0.038 0.000 2.947 217 H HA 0.680 5.236 4.556 -0.000 0.000 0.290 217 H C -0.098 175.267 175.328 0.061 0.000 1.430 217 H CA -1.216 54.861 56.048 0.048 0.000 1.189 217 H CB 0.747 30.543 29.762 0.057 0.000 1.875 217 H HN 0.654 nan 8.280 nan 0.000 0.568 218 R N 1.122 121.524 120.500 -0.163 0.000 2.537 218 R HA 0.238 4.578 4.340 -0.000 0.000 0.280 218 R C -1.028 175.047 176.300 -0.376 0.000 1.058 218 R CA -0.051 55.950 56.100 -0.166 0.000 1.057 218 R CB 0.192 30.489 30.300 -0.004 0.000 0.973 218 R HN 0.514 nan 8.270 nan 0.000 0.438 226 L N 1.585 122.753 121.223 -0.092 0.000 2.042 226 L HA 0.032 4.372 4.340 -0.000 0.000 0.210 226 L C 2.324 179.097 176.870 -0.161 0.000 1.076 226 L CA 1.913 56.686 54.840 -0.112 0.000 0.749 226 L CB -0.145 41.927 42.059 0.023 0.000 0.893 226 L HN -0.023 nan 8.230 nan 0.000 0.432 227 R N -1.348 119.044 120.500 -0.180 0.000 2.080 227 R HA -0.170 4.170 4.340 -0.000 0.000 0.236 227 R C 2.125 178.334 176.300 -0.152 0.000 1.137 227 R CA 2.194 58.147 56.100 -0.244 0.000 0.943 227 R CB -0.489 29.550 30.300 -0.435 0.000 0.846 227 R HN 0.398 nan 8.270 nan 0.000 0.431 228 T N 0.860 115.353 114.554 -0.101 0.000 2.684 228 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 228 T C 1.706 176.394 174.700 -0.020 0.000 1.036 228 T CA 1.655 63.755 62.100 0.000 0.000 1.148 228 T CB -0.158 68.770 68.868 0.101 0.000 0.863 228 T HN 0.271 nan 8.240 nan 0.000 0.436 229 M N 0.351 119.820 119.600 -0.219 0.000 2.117 229 M HA -0.051 4.429 4.480 -0.000 0.000 0.262 229 M C 2.174 178.297 176.300 -0.295 0.000 1.065 229 M CA 1.356 56.372 55.300 -0.473 0.000 1.114 229 M CB -0.220 31.852 32.600 -0.880 0.000 1.361 229 M HN 0.235 nan 8.290 nan 0.000 0.408 230 L N 0.242 121.277 121.223 -0.313 0.000 1.994 230 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 230 L C 2.352 179.097 176.870 -0.209 0.000 1.071 230 L CA 2.103 56.715 54.840 -0.380 0.000 0.745 230 L CB -0.861 40.881 42.059 -0.528 0.000 0.892 230 L HN 0.356 nan 8.230 nan 0.000 0.431 231 V N -2.825 117.031 119.914 -0.097 0.000 2.427 231 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 231 V C 2.153 178.276 176.094 0.049 0.000 1.051 231 V CA 1.910 64.216 62.300 0.009 0.000 1.048 231 V CB -1.131 30.790 31.823 0.163 0.000 0.666 231 V HN 0.607 nan 8.190 nan 0.000 0.456 232 E N -0.261 119.972 120.200 0.054 0.000 2.152 232 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 232 E C 2.251 178.863 176.600 0.020 0.000 0.983 232 E CA 1.436 57.883 56.400 0.078 0.000 0.818 232 E CB -0.323 29.473 29.700 0.159 0.000 0.758 232 E HN 0.708 nan 8.360 nan 0.000 0.467 233 C N 0.631 119.919 119.300 -0.020 0.000 2.429 233 C HA -0.122 4.337 4.460 -0.000 0.000 0.277 233 C C 2.404 177.336 174.990 -0.096 0.000 1.262 233 C CA 0.318 59.299 59.018 -0.062 0.000 1.733 233 C CB -0.916 26.764 27.740 -0.100 0.000 2.010 233 C HN 0.430 nan 8.230 nan 0.000 0.483 234 F N 2.393 122.200 119.950 -0.237 0.000 2.102 234 F HA -0.066 4.461 4.527 -0.000 0.000 0.298 234 F C 2.352 177.987 175.800 -0.275 0.000 1.105 234 F CA 1.499 59.306 58.000 -0.321 0.000 1.239 234 F CB -0.617 38.062 39.000 -0.534 0.000 0.991 234 F HN 0.153 nan 8.300 nan 0.000 0.474 235 A N 0.573 123.247 122.820 -0.244 0.000 1.908 235 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 235 A C 2.461 179.903 177.584 -0.237 0.000 1.181 235 A CA 2.034 53.962 52.037 -0.182 0.000 0.627 235 A CB -1.645 17.388 19.000 0.055 0.000 0.818 235 A HN 0.544 nan 8.150 nan 0.000 0.445 236 A N -0.033 122.679 122.820 -0.181 0.000 1.873 236 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 236 A C 2.166 179.620 177.584 -0.216 0.000 1.193 236 A CA 1.756 53.698 52.037 -0.158 0.000 0.629 236 A CB -0.695 18.242 19.000 -0.105 0.000 0.826 236 A HN 0.511 nan 8.150 nan 0.000 0.447 237 I N -0.755 119.646 120.570 -0.282 0.000 2.226 237 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 237 I C 2.858 178.782 176.117 -0.322 0.000 1.100 237 I CA 1.850 63.004 61.300 -0.244 0.000 1.374 237 I CB -0.330 37.530 38.000 -0.233 0.000 1.057 237 I HN 0.561 nan 8.210 nan 0.000 0.413 238 Q N 0.695 120.141 119.800 -0.590 0.000 2.096 238 Q HA -0.257 4.083 4.340 -0.000 0.000 0.204 238 Q C 2.261 178.096 176.000 -0.275 0.000 0.982 238 Q CA 2.431 57.932 55.803 -0.504 0.000 0.850 238 Q CB -0.070 28.317 28.738 -0.586 0.000 0.901 238 Q HN 0.592 nan 8.270 nan 0.000 0.422 239 S N -0.443 115.125 115.700 -0.219 0.000 2.447 239 S HA -0.071 4.399 4.470 -0.000 0.000 0.233 239 S C 1.633 176.153 174.600 -0.134 0.000 1.006 239 S CA 0.699 58.815 58.200 -0.140 0.000 0.957 239 S CB -0.143 62.988 63.200 -0.115 0.000 0.773 239 S HN 0.452 nan 8.310 nan 0.000 0.507 240 L N 1.481 122.605 121.223 -0.166 0.000 2.607 240 L HA 0.177 4.517 4.340 -0.000 0.000 0.228 240 L C 2.658 179.564 176.870 0.060 0.000 1.123 240 L CA 0.266 54.999 54.840 -0.178 0.000 0.890 240 L CB -0.332 41.429 42.059 -0.496 0.000 1.103 240 L HN 0.487 nan 8.230 nan 0.000 0.468 241 Q N -0.420 119.331 119.800 -0.081 0.000 2.297 241 Q HA -0.214 4.126 4.340 -0.000 0.000 0.208 241 Q C 1.065 176.920 176.000 -0.243 0.000 0.981 241 Q CA 1.408 57.079 55.803 -0.220 0.000 0.876 241 Q CB -0.196 28.289 28.738 -0.423 0.000 0.921 241 Q HN 0.538 nan 8.270 nan 0.000 0.446 242 H N 0.493 119.619 119.070 0.094 0.000 2.551 242 H HA 0.270 4.826 4.556 -0.000 0.000 0.271 242 H C -0.092 175.349 175.328 0.188 0.000 0.984 242 H CA -0.059 56.046 56.048 0.096 0.000 1.164 242 H CB 0.379 30.164 29.762 0.038 0.000 1.437 242 H HN 0.323 nan 8.280 nan 0.000 0.550 243 E N 1.428 121.859 120.200 0.386 0.000 2.398 243 E HA 0.120 4.470 4.350 -0.000 0.000 0.263 243 E C -0.055 176.868 176.600 0.539 0.000 1.046 243 E CA -0.176 56.470 56.400 0.410 0.000 0.908 243 E CB 2.209 32.140 29.700 0.384 0.000 0.963 243 E HN -0.089 nan 8.360 nan 0.000 0.431 244 V N 2.954 123.075 119.914 0.345 0.000 2.427 244 V HA 0.235 4.355 4.120 -0.000 0.000 0.286 244 V C -0.066 176.131 176.094 0.172 0.000 1.034 244 V CA -0.611 61.864 62.300 0.293 0.000 0.893 244 V CB 1.842 33.772 31.823 0.178 0.000 0.982 244 V HN 0.341 nan 8.190 nan 0.000 0.452 245 V N 4.126 124.126 119.914 0.144 0.000 2.483 245 V HA 0.608 4.728 4.120 -0.000 0.000 0.297 245 V C 0.790 176.882 176.094 -0.004 0.000 1.027 245 V CA -0.444 61.817 62.300 -0.065 0.000 0.855 245 V CB 1.583 33.203 31.823 -0.339 0.000 0.995 245 V HN 0.962 nan 8.190 nan 0.000 0.424 246 G N 3.494 112.270 108.800 -0.041 0.000 2.750 246 G HA2 0.240 4.200 3.960 -0.000 0.000 0.250 246 G HA3 0.240 4.200 3.960 -0.000 0.000 0.250 246 G C 0.141 175.028 174.900 -0.021 0.000 1.230 246 G CA -0.269 44.817 45.100 -0.023 0.000 0.883 246 G HN 0.905 nan 8.290 nan 0.000 0.573 247 Q N -0.151 119.644 119.800 -0.008 0.000 2.421 247 Q HA 0.270 4.610 4.340 -0.000 0.000 0.255 247 Q C -2.231 173.755 176.000 -0.022 0.000 1.013 247 Q CA -1.180 54.624 55.803 0.001 0.000 0.895 247 Q CB -0.230 28.509 28.738 0.002 0.000 1.271 247 Q HN 0.203 nan 8.270 nan 0.000 0.460 248 P HA -0.119 nan 4.420 nan 0.000 0.264 248 P C -1.001 176.280 177.300 -0.032 0.000 1.156 248 P CA 0.707 63.787 63.100 -0.034 0.000 0.756 248 P CB 0.295 31.979 31.700 -0.027 0.000 0.764 249 A N 3.635 126.432 122.820 -0.038 0.000 2.336 249 A HA 0.481 4.801 4.320 -0.000 0.000 0.291 249 A C 0.258 177.861 177.584 0.031 0.000 1.266 249 A CA -0.778 51.252 52.037 -0.012 0.000 0.891 249 A CB 0.114 19.100 19.000 -0.023 0.000 1.366 249 A HN 0.534 nan 8.150 nan 0.000 0.507 250 I N 1.209 121.816 120.570 0.061 0.000 2.668 250 I HA 0.079 4.249 4.170 -0.000 0.000 0.285 250 I C 0.387 176.634 176.117 0.216 0.000 1.168 250 I CA 0.991 62.365 61.300 0.123 0.000 1.424 250 I CB -0.068 38.007 38.000 0.125 0.000 1.377 250 I HN 0.646 nan 8.210 nan 0.000 0.560 251 H N 7.493 126.599 119.070 0.061 0.000 3.181 251 H HA 0.477 5.033 4.556 -0.000 0.000 0.331 251 H C -1.231 174.094 175.328 -0.005 0.000 0.988 251 H CA -0.898 55.163 56.048 0.020 0.000 1.449 251 H CB 0.947 30.682 29.762 -0.045 0.000 1.749 251 H HN 0.624 nan 8.280 nan 0.000 0.501 252 R N 3.461 123.852 120.500 -0.181 0.000 2.750 252 R HA 0.284 4.624 4.340 -0.000 0.000 0.281 252 R C -1.054 174.918 176.300 -0.547 0.000 0.972 252 R CA -1.007 54.918 56.100 -0.293 0.000 0.912 252 R CB 2.973 33.302 30.300 0.050 0.000 1.187 252 R HN 0.653 nan 8.270 nan 0.000 0.464 253 Q N 0.772 120.266 119.800 -0.510 0.000 2.323 253 Q HA 0.332 4.672 4.340 -0.000 0.000 0.271 253 Q C -0.958 174.846 176.000 -0.327 0.000 1.048 253 Q CA -0.888 54.595 55.803 -0.533 0.000 0.792 253 Q CB 2.563 31.038 28.738 -0.438 0.000 1.280 253 Q HN 0.494 nan 8.270 nan 0.000 0.441 254 E N 2.459 122.448 120.200 -0.351 0.000 2.502 254 E HA -0.122 4.228 4.350 -0.000 0.000 0.261 254 E C -0.491 176.144 176.600 0.058 0.000 0.974 254 E CA 0.032 56.407 56.400 -0.041 0.000 0.936 254 E CB 0.584 30.320 29.700 0.060 0.000 0.926 254 E HN 0.535 nan 8.360 nan 0.000 0.459 255 H N 6.238 125.286 119.070 -0.037 0.000 2.929 255 H HA 0.122 4.678 4.556 -0.000 0.000 0.317 255 H C -2.158 173.060 175.328 -0.183 0.000 1.031 255 H CA -1.564 54.432 56.048 -0.087 0.000 1.466 255 H CB 0.621 30.328 29.762 -0.091 0.000 1.482 255 H HN 0.336 nan 8.280 nan 0.000 0.561 256 P HA 0.121 nan 4.420 nan 0.000 0.275 256 P C -0.215 176.613 177.300 -0.787 0.000 1.228 256 P CA 0.020 62.424 63.100 -1.160 0.000 0.786 256 P CB 1.191 32.400 31.700 -0.818 0.000 0.927 257 H N 0.571 119.223 119.070 -0.697 0.000 2.505 257 H HA 0.293 4.849 4.556 -0.000 0.000 0.358 257 H C 0.852 176.122 175.328 -0.096 0.000 1.304 257 H CA -0.758 55.186 56.048 -0.174 0.000 1.393 257 H CB 0.934 30.737 29.762 0.069 0.000 1.591 257 H HN 0.280 nan 8.280 nan 0.000 0.595 258 R N 0.876 121.446 120.500 0.117 0.000 2.643 258 R HA 0.051 4.391 4.340 -0.000 0.000 0.270 258 R C -0.426 175.928 176.300 0.089 0.000 1.061 258 R CA -0.352 55.796 56.100 0.081 0.000 1.107 258 R CB 0.565 30.899 30.300 0.057 0.000 0.999 258 R HN 0.301 nan 8.270 nan 0.000 0.460 259 V N 4.388 124.320 119.914 0.029 0.000 2.694 259 V HA 0.020 4.140 4.120 -0.000 0.000 0.306 259 V C -1.834 174.195 176.094 -0.110 0.000 1.054 259 V CA -1.182 61.080 62.300 -0.064 0.000 1.161 259 V CB -0.035 31.578 31.823 -0.351 0.000 0.916 259 V HN 0.703 nan 8.190 nan 0.000 0.490 260 P HA 0.125 nan 4.420 nan 0.000 0.266 260 P C 1.002 178.150 177.300 -0.253 0.000 1.195 260 P CA -0.116 62.874 63.100 -0.183 0.000 0.768 260 P CB 0.673 32.189 31.700 -0.307 0.000 0.838 261 V N 2.934 122.765 119.914 -0.138 0.000 2.255 261 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 261 V C 2.360 178.390 176.094 -0.106 0.000 1.051 261 V CA 2.366 64.606 62.300 -0.099 0.000 1.018 261 V CB -1.509 30.304 31.823 -0.017 0.000 0.641 261 V HN 0.797 nan 8.190 nan 0.000 0.445 262 H N -0.816 118.243 119.070 -0.019 0.000 2.457 262 H HA -0.140 4.416 4.556 -0.000 0.000 0.297 262 H C 2.142 177.467 175.328 -0.005 0.000 1.092 262 H CA 2.138 58.181 56.048 -0.008 0.000 1.309 262 H CB -0.295 29.469 29.762 0.004 0.000 1.382 262 H HN 0.448 nan 8.280 nan 0.000 0.535 263 I N 1.176 121.464 120.570 -0.470 0.000 2.400 263 I HA -0.072 4.098 4.170 -0.000 0.000 0.248 263 I C 3.018 179.056 176.117 -0.132 0.000 1.109 263 I CA 0.761 61.928 61.300 -0.222 0.000 1.425 263 I CB -0.309 37.536 38.000 -0.259 0.000 1.094 263 I HN 0.301 nan 8.210 nan 0.000 0.425 264 A N 0.247 122.913 122.820 -0.256 0.000 2.024 264 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 264 A C 1.786 179.322 177.584 -0.081 0.000 1.164 264 A CA 1.468 53.324 52.037 -0.302 0.000 0.643 264 A CB -0.488 18.233 19.000 -0.465 0.000 0.806 264 A HN 0.463 nan 8.150 nan 0.000 0.451 265 E N -0.481 119.689 120.200 -0.050 0.000 2.423 265 E HA 0.107 4.457 4.350 -0.000 0.000 0.198 265 E C 0.032 176.646 176.600 0.023 0.000 1.038 265 E CA -0.315 56.084 56.400 -0.002 0.000 1.011 265 E CB 0.082 29.783 29.700 0.001 0.000 1.118 265 E HN 0.736 nan 8.360 nan 0.000 0.451 266 R N -1.466 119.058 120.500 0.040 0.000 2.854 266 R HA 0.601 4.941 4.340 -0.000 0.000 0.271 266 R C -0.831 175.494 176.300 0.041 0.000 0.996 266 R CA -0.816 55.313 56.100 0.049 0.000 0.961 266 R CB 1.317 31.665 30.300 0.079 0.000 1.182 266 R HN -0.190 nan 8.270 nan 0.000 0.479 267 V N 2.273 122.198 119.914 0.018 0.000 2.347 267 V HA 0.268 4.388 4.120 -0.000 0.000 0.280 267 V C 1.334 177.441 176.094 0.022 0.000 1.021 267 V CA -0.033 62.256 62.300 -0.018 0.000 0.847 267 V CB 1.302 33.065 31.823 -0.099 0.000 0.990 267 V HN 1.094 nan 8.190 nan 0.000 0.444 268 G N 4.610 113.460 108.800 0.083 0.000 2.532 268 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.222 268 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.222 268 G C 0.324 175.410 174.900 0.310 0.000 1.102 268 G CA 1.967 47.196 45.100 0.215 0.000 0.742 268 G HN 0.954 nan 8.290 nan 0.000 0.577 269 Y N -3.347 116.969 120.300 0.026 0.000 2.814 269 Y HA 0.518 5.068 4.550 -0.000 0.000 0.348 269 Y C -1.855 174.048 175.900 0.006 0.000 1.245 269 Y CA -2.103 56.010 58.100 0.021 0.000 1.086 269 Y CB 0.519 38.989 38.460 0.016 0.000 1.373 269 Y HN -0.131 nan 8.280 nan 0.000 0.451 270 D N 1.230 121.733 120.400 0.173 0.000 2.380 270 D HA 0.295 4.935 4.640 -0.000 0.000 0.230 270 D C 0.709 177.085 176.300 0.128 0.000 1.154 270 D CA -0.013 54.027 54.000 0.068 0.000 0.859 270 D CB 1.756 42.617 40.800 0.100 0.000 1.045 270 D HN 0.546 nan 8.370 nan 0.000 0.495 271 V N 4.322 124.194 119.914 -0.070 0.000 2.261 271 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 271 V C 2.388 178.524 176.094 0.071 0.000 1.047 271 V CA 1.825 64.124 62.300 -0.002 0.000 1.015 271 V CB -0.504 31.227 31.823 -0.154 0.000 0.642 271 V HN 0.669 nan 8.190 nan 0.000 0.446 272 E N 0.105 120.330 120.200 0.041 0.000 2.070 272 E HA -0.294 4.056 4.350 -0.000 0.000 0.197 272 E C 2.229 178.901 176.600 0.119 0.000 1.004 272 E CA 1.698 58.136 56.400 0.062 0.000 0.805 272 E CB -0.229 29.493 29.700 0.036 0.000 0.744 272 E HN 0.565 nan 8.360 nan 0.000 0.451 273 A N 0.122 123.023 122.820 0.134 0.000 1.933 273 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 273 A C 2.364 180.057 177.584 0.182 0.000 1.175 273 A CA 1.997 54.139 52.037 0.175 0.000 0.628 273 A CB -0.836 18.253 19.000 0.147 0.000 0.814 273 A HN 0.331 nan 8.150 nan 0.000 0.444 274 T N 0.649 115.306 114.554 0.172 0.000 2.708 274 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 274 T C 1.811 176.576 174.700 0.110 0.000 1.037 274 T CA 1.496 63.673 62.100 0.128 0.000 1.146 274 T CB -0.428 68.504 68.868 0.106 0.000 0.865 274 T HN 0.387 nan 8.240 nan 0.000 0.435 275 L N 0.045 121.343 121.223 0.125 0.000 2.042 275 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 275 L C 2.550 179.545 176.870 0.208 0.000 1.076 275 L CA 1.714 56.641 54.840 0.146 0.000 0.749 275 L CB -0.735 41.406 42.059 0.137 0.000 0.893 275 L HN 0.459 nan 8.230 nan 0.000 0.432 276 H N 0.000 119.122 119.070 0.086 0.000 2.319 276 H HA -0.225 4.331 4.556 -0.000 0.000 0.299 276 H C 2.460 177.845 175.328 0.096 0.000 1.092 276 H CA 1.342 57.440 56.048 0.083 0.000 1.302 276 H CB 0.297 30.098 29.762 0.066 0.000 1.373 276 H HN 0.029 nan 8.280 nan 0.000 0.497 277 R N 0.915 121.489 120.500 0.123 0.000 2.152 277 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 277 R C 2.152 178.526 176.300 0.123 0.000 1.117 277 R CA 0.731 56.873 56.100 0.069 0.000 0.981 277 R CB -0.866 29.537 30.300 0.172 0.000 0.870 277 R HN 0.345 nan 8.270 nan 0.000 0.451 278 L N -0.279 121.028 121.223 0.140 0.000 2.275 278 L HA 0.058 4.398 4.340 -0.000 0.000 0.215 278 L C 1.490 178.516 176.870 0.261 0.000 1.119 278 L CA 1.653 56.582 54.840 0.148 0.000 0.790 278 L CB -0.156 41.995 42.059 0.154 0.000 0.919 278 L HN 0.255 nan 8.230 nan 0.000 0.443 279 M N -1.593 118.172 119.600 0.274 0.000 2.431 279 M HA 0.134 4.614 4.480 -0.000 0.000 0.237 279 M C 0.147 176.666 176.300 0.366 0.000 1.130 279 M CA 0.147 55.680 55.300 0.389 0.000 1.002 279 M CB 0.300 33.069 32.600 0.281 0.000 1.524 279 M HN 0.166 nan 8.290 nan 0.000 0.482 280 Q N -1.059 118.829 119.800 0.146 0.000 2.378 280 Q HA 0.338 4.678 4.340 -0.000 0.000 0.276 280 Q C -0.319 175.620 176.000 -0.102 0.000 1.083 280 Q CA -0.983 54.790 55.803 -0.051 0.000 0.856 280 Q CB 1.108 29.648 28.738 -0.331 0.000 1.383 280 Q HN 0.193 nan 8.270 nan 0.000 0.458 281 H N -1.688 117.395 119.070 0.022 0.000 2.741 281 H HA -0.189 4.367 4.556 -0.000 0.000 0.305 281 H C -1.169 174.104 175.328 -0.090 0.000 1.169 281 H CA 0.603 56.630 56.048 -0.036 0.000 1.144 281 H CB -1.649 28.065 29.762 -0.079 0.000 1.397 281 H HN 0.503 nan 8.280 nan 0.000 0.409 282 W N -0.079 121.272 121.300 0.085 0.000 2.183 282 W HA 0.446 5.106 4.660 -0.000 0.000 0.348 282 W C 0.635 177.177 176.519 0.039 0.000 1.257 282 W CA 0.402 57.779 57.345 0.052 0.000 1.324 282 W CB 1.135 30.610 29.460 0.025 0.000 1.144 282 W HN 0.025 nan 8.180 nan 0.000 0.622 283 T N 1.478 116.256 114.554 0.373 0.000 3.097 283 T HA 0.144 4.494 4.350 -0.000 0.000 0.332 283 T C -2.113 172.693 174.700 0.177 0.000 1.269 283 T CA -0.920 61.294 62.100 0.189 0.000 1.076 283 T CB 1.717 70.639 68.868 0.090 0.000 1.209 283 T HN 0.004 nan 8.240 nan 0.000 0.474 284 P HA -0.045 nan 4.420 nan 0.000 0.216 284 P C 1.467 178.796 177.300 0.049 0.000 1.150 284 P CA 0.768 63.907 63.100 0.065 0.000 0.837 284 P CB 0.289 32.010 31.700 0.036 0.000 0.786 285 R N 0.041 120.557 120.500 0.027 0.000 2.096 285 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 285 R C 2.250 178.521 176.300 -0.048 0.000 1.127 285 R CA 1.483 57.572 56.100 -0.017 0.000 0.968 285 R CB -0.491 29.787 30.300 -0.036 0.000 0.861 285 R HN 0.199 nan 8.270 nan 0.000 0.440 286 Q N -0.464 119.331 119.800 -0.009 0.000 2.084 286 Q HA -0.124 4.215 4.340 -0.000 0.000 0.202 286 Q C 2.099 178.158 176.000 0.099 0.000 0.978 286 Q CA 1.750 57.541 55.803 -0.021 0.000 0.844 286 Q CB 0.085 28.824 28.738 0.002 0.000 0.898 286 Q HN 0.214 nan 8.270 nan 0.000 0.426 287 V N 0.946 120.973 119.914 0.188 0.000 2.407 287 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 287 V C 2.053 178.179 176.094 0.052 0.000 1.055 287 V CA 1.997 64.379 62.300 0.137 0.000 1.049 287 V CB -0.478 31.377 31.823 0.054 0.000 0.662 287 V HN 0.373 nan 8.190 nan 0.000 0.455 288 E N -0.225 119.988 120.200 0.021 0.000 2.047 288 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 288 E C 2.174 178.768 176.600 -0.010 0.000 0.987 288 E CA 0.846 57.247 56.400 0.001 0.000 0.799 288 E CB -0.052 29.641 29.700 -0.011 0.000 0.752 288 E HN 0.313 nan 8.360 nan 0.000 0.449 289 L N 0.959 122.140 121.223 -0.071 0.000 2.129 289 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 289 L C 2.200 179.111 176.870 0.069 0.000 1.087 289 L CA 1.444 56.206 54.840 -0.129 0.000 0.757 289 L CB -0.879 40.891 42.059 -0.483 0.000 0.896 289 L HN 0.310 nan 8.230 nan 0.000 0.434 290 L N -1.026 120.266 121.223 0.115 0.000 2.349 290 L HA -0.208 4.132 4.340 -0.000 0.000 0.220 290 L C 2.325 179.361 176.870 0.276 0.000 1.130 290 L CA 0.470 55.463 54.840 0.256 0.000 0.791 290 L CB -0.345 41.779 42.059 0.110 0.000 0.918 290 L HN 0.226 nan 8.230 nan 0.000 0.444 291 E N 0.546 120.825 120.200 0.132 0.000 2.273 291 E HA -0.200 4.150 4.350 -0.000 0.000 0.198 291 E C 1.953 178.589 176.600 0.059 0.000 1.002 291 E CA 1.098 57.544 56.400 0.077 0.000 0.828 291 E CB -0.198 29.519 29.700 0.029 0.000 0.747 291 E HN 0.465 nan 8.360 nan 0.000 0.491 292 L N -0.641 120.604 121.223 0.036 0.000 2.554 292 L HA 0.088 4.428 4.340 -0.000 0.000 0.226 292 L C 0.086 176.802 176.870 -0.257 0.000 1.137 292 L CA -0.150 54.578 54.840 -0.186 0.000 0.863 292 L CB 0.002 41.813 42.059 -0.413 0.000 0.985 292 L HN -0.021 nan 8.230 nan 0.000 0.451 293 F N -0.678 119.303 119.950 0.050 0.000 2.483 293 F HA 0.297 4.824 4.527 -0.000 0.000 0.329 293 F C 1.227 177.066 175.800 0.066 0.000 1.064 293 F CA -1.240 56.807 58.000 0.080 0.000 0.986 293 F CB 0.863 39.924 39.000 0.101 0.000 1.218 293 F HN -0.189 nan 8.300 nan 0.000 0.484 294 T N -2.152 112.565 114.554 0.271 0.000 2.906 294 T HA 0.009 4.359 4.350 -0.000 0.000 0.320 294 T C 1.117 175.909 174.700 0.152 0.000 1.088 294 T CA -0.165 62.042 62.100 0.178 0.000 1.120 294 T CB 0.562 69.537 68.868 0.179 0.000 1.000 294 T HN 0.679 nan 8.240 nan 0.000 0.550 295 T N 3.686 118.298 114.554 0.098 0.000 2.635 295 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 295 T C -0.682 174.034 174.700 0.027 0.000 1.040 295 T CA 1.821 63.954 62.100 0.055 0.000 1.156 295 T CB -1.499 67.392 68.868 0.039 0.000 0.863 295 T HN 0.608 nan 8.240 nan 0.000 0.430 296 P HA -0.057 nan 4.420 nan 0.000 0.216 296 P C 1.659 178.917 177.300 -0.070 0.000 1.153 296 P CA 0.718 63.844 63.100 0.043 0.000 0.858 296 P CB -0.242 31.551 31.700 0.154 0.000 0.789 297 V N -0.166 119.782 119.914 0.057 0.000 2.323 297 V HA -0.197 3.923 4.120 -0.000 0.000 0.244 297 V C 2.725 178.712 176.094 -0.177 0.000 1.041 297 V CA 1.841 64.155 62.300 0.023 0.000 1.025 297 V CB -1.022 30.957 31.823 0.260 0.000 0.656 297 V HN 0.046 nan 8.190 nan 0.000 0.451 298 R N 0.095 120.574 120.500 -0.036 0.000 2.080 298 R HA -0.206 4.134 4.340 -0.000 0.000 0.236 298 R C 2.333 178.551 176.300 -0.136 0.000 1.137 298 R CA 1.946 58.025 56.100 -0.035 0.000 0.943 298 R CB -0.255 30.076 30.300 0.052 0.000 0.846 298 R HN 0.427 nan 8.270 nan 0.000 0.431 299 E N -0.241 119.861 120.200 -0.163 0.000 2.077 299 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 299 E C 1.911 178.310 176.600 -0.334 0.000 0.989 299 E CA 1.371 57.655 56.400 -0.194 0.000 0.800 299 E CB -0.624 28.994 29.700 -0.137 0.000 0.746 299 E HN 0.603 nan 8.360 nan 0.000 0.452 300 G N 1.671 110.084 108.800 -0.645 0.000 2.514 300 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 300 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 300 G C 1.620 176.117 174.900 -0.672 0.000 1.198 300 G CA 0.638 45.022 45.100 -1.194 0.000 0.780 300 G HN 0.235 nan 8.290 nan 0.000 0.565 301 L N -0.032 120.910 121.223 -0.467 0.000 2.141 301 L HA 0.037 4.377 4.340 -0.000 0.000 0.209 301 L C 3.130 180.054 176.870 0.089 0.000 1.094 301 L CA 0.953 55.806 54.840 0.022 0.000 0.763 301 L CB -0.320 41.803 42.059 0.108 0.000 0.908 301 L HN 0.257 nan 8.230 nan 0.000 0.437 302 R N -0.982 119.468 120.500 -0.083 0.000 2.096 302 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 302 R C 2.027 178.182 176.300 -0.242 0.000 1.127 302 R CA 1.847 57.821 56.100 -0.210 0.000 0.968 302 R CB -0.355 29.835 30.300 -0.184 0.000 0.861 302 R HN 0.358 nan 8.270 nan 0.000 0.440 303 T N 0.230 114.690 114.554 -0.158 0.000 2.778 303 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 303 T C 1.852 176.511 174.700 -0.068 0.000 1.050 303 T CA 1.221 63.252 62.100 -0.116 0.000 1.137 303 T CB -0.396 68.419 68.868 -0.089 0.000 0.860 303 T HN 0.388 nan 8.240 nan 0.000 0.468 304 C N 1.753 121.067 119.300 0.024 0.000 2.443 304 C HA -0.045 4.415 4.460 -0.000 0.000 0.290 304 C C 2.654 177.699 174.990 0.092 0.000 1.476 304 C CA 0.207 59.323 59.018 0.164 0.000 1.772 304 C CB -1.462 26.509 27.740 0.386 0.000 1.714 304 C HN 0.616 nan 8.230 nan 0.000 0.562 305 Q N -0.033 119.594 119.800 -0.289 0.000 2.230 305 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 305 Q C 2.279 178.172 176.000 -0.178 0.000 0.963 305 Q CA 1.092 56.602 55.803 -0.489 0.000 0.866 305 Q CB 0.001 28.263 28.738 -0.794 0.000 0.931 305 Q HN 0.695 nan 8.270 nan 0.000 0.452 306 R N -0.035 120.395 120.500 -0.117 0.000 2.142 306 R HA 0.158 4.498 4.340 -0.000 0.000 0.204 306 R C 0.552 176.849 176.300 -0.006 0.000 1.059 306 R CA 0.393 56.458 56.100 -0.059 0.000 1.055 306 R CB 0.579 30.834 30.300 -0.074 0.000 0.976 306 R HN 0.081 nan 8.270 nan 0.000 0.483 307 R N 0.471 120.978 120.500 0.012 0.000 2.680 307 R HA 0.418 4.758 4.340 -0.000 0.000 0.269 307 R C -3.229 173.120 176.300 0.081 0.000 1.026 307 R CA -2.122 54.001 56.100 0.040 0.000 0.889 307 R CB 1.414 31.720 30.300 0.009 0.000 1.241 307 R HN -0.252 nan 8.270 nan 0.000 0.463 308 P HA 0.193 nan 4.420 nan 0.000 0.267 308 P C -1.240 176.139 177.300 0.132 0.000 1.205 308 P CA -0.022 63.192 63.100 0.190 0.000 0.765 308 P CB 1.204 33.048 31.700 0.240 0.000 0.828 309 A N 3.062 125.998 122.820 0.193 0.000 2.455 309 A HA 0.729 5.049 4.320 -0.000 0.000 0.300 309 A C -0.540 177.216 177.584 0.288 0.000 1.040 309 A CA -0.476 51.597 52.037 0.060 0.000 0.697 309 A CB 0.577 19.640 19.000 0.104 0.000 1.265 309 A HN 0.558 nan 8.150 nan 0.000 0.407 310 F N -0.259 119.794 119.950 0.171 0.000 3.064 310 F HA 0.227 4.754 4.527 -0.000 0.000 0.406 310 F C 0.857 176.489 175.800 -0.279 0.000 1.027 310 F CA -0.241 57.661 58.000 -0.165 0.000 0.960 310 F CB -0.443 38.456 39.000 -0.168 0.000 1.418 310 F HN 0.364 nan 8.300 nan 0.000 0.536 311 N N 2.314 120.876 118.700 -0.230 0.000 2.192 311 N HA -0.203 4.537 4.740 -0.000 0.000 0.188 311 N C 1.703 177.212 175.510 -0.002 0.000 1.013 311 N CA 2.235 55.241 53.050 -0.073 0.000 0.863 311 N CB -0.703 37.719 38.487 -0.108 0.000 0.990 311 N HN 0.648 nan 8.380 nan 0.000 0.430 312 F N -0.399 119.563 119.950 0.020 0.000 2.269 312 F HA 0.081 4.608 4.527 -0.000 0.000 0.301 312 F C 1.305 177.171 175.800 0.111 0.000 1.082 312 F CA 0.300 58.335 58.000 0.058 0.000 1.360 312 F CB -0.526 38.503 39.000 0.049 0.000 1.041 312 F HN -0.125 nan 8.300 nan 0.000 0.512 313 M N 3.430 122.547 119.600 -0.806 0.000 3.654 313 M HA 0.191 4.671 4.480 -0.000 0.000 0.212 313 M C -0.521 175.712 176.300 -0.113 0.000 1.354 313 M CA -1.112 53.893 55.300 -0.493 0.000 1.564 313 M CB -1.524 30.608 32.600 -0.780 0.000 1.056 313 M HN 0.347 nan 8.290 nan 0.000 0.608 314 D N -1.009 119.414 120.400 0.039 0.000 2.414 314 D HA 0.022 4.662 4.640 -0.000 0.000 0.259 314 D C 0.826 177.267 176.300 0.234 0.000 1.269 314 D CA -0.245 53.824 54.000 0.114 0.000 1.028 314 D CB 0.299 41.176 40.800 0.129 0.000 1.093 314 D HN 0.467 nan 8.370 nan 0.000 0.545 315 E N -1.283 119.077 120.200 0.267 0.000 2.068 315 E HA -0.263 4.087 4.350 -0.000 0.000 0.207 315 E C 1.938 178.808 176.600 0.450 0.000 1.032 315 E CA 1.671 58.284 56.400 0.356 0.000 0.839 315 E CB -0.036 29.798 29.700 0.222 0.000 0.758 315 E HN 0.354 nan 8.360 nan 0.000 0.457 316 M N -0.233 119.563 119.600 0.327 0.000 2.200 316 M HA -0.036 4.444 4.480 -0.000 0.000 0.265 316 M C 2.295 178.766 176.300 0.284 0.000 1.066 316 M CA 1.343 56.823 55.300 0.301 0.000 1.127 316 M CB -1.210 31.524 32.600 0.223 0.000 1.379 316 M HN 0.201 nan 8.290 nan 0.000 0.420 317 A N -0.544 122.449 122.820 0.290 0.000 1.940 317 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 317 A C 2.188 179.988 177.584 0.360 0.000 1.176 317 A CA 1.416 53.638 52.037 0.308 0.000 0.631 317 A CB -1.280 17.910 19.000 0.317 0.000 0.814 317 A HN 0.761 nan 8.150 nan 0.000 0.446 318 W N 0.538 121.951 121.300 0.187 0.000 2.388 318 W HA -0.113 4.547 4.660 -0.000 0.000 0.294 318 W C 2.214 178.825 176.519 0.155 0.000 1.212 318 W CA 1.452 58.906 57.345 0.181 0.000 1.271 318 W CB -0.090 29.488 29.460 0.196 0.000 1.126 318 W HN 0.428 nan 8.180 nan 0.000 0.535 319 A N 1.033 123.876 122.820 0.038 0.000 1.898 319 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 319 A C 2.125 179.663 177.584 -0.078 0.000 1.181 319 A CA 2.354 54.239 52.037 -0.254 0.000 0.620 319 A CB -1.300 17.571 19.000 -0.215 0.000 0.819 319 A HN 0.304 nan 8.150 nan 0.000 0.442 320 A N -0.884 121.997 122.820 0.102 0.000 1.883 320 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 320 A C 2.308 179.985 177.584 0.155 0.000 1.186 320 A CA 2.386 54.528 52.037 0.175 0.000 0.624 320 A CB -1.363 17.753 19.000 0.194 0.000 0.822 320 A HN 0.422 nan 8.150 nan 0.000 0.444 321 T N -1.817 112.816 114.554 0.131 0.000 2.788 321 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 321 T C 1.746 176.415 174.700 -0.051 0.000 1.044 321 T CA 1.647 63.853 62.100 0.178 0.000 1.139 321 T CB -0.410 68.524 68.868 0.109 0.000 0.867 321 T HN 0.545 nan 8.240 nan 0.000 0.454 322 Y N 1.092 121.093 120.300 -0.498 0.000 2.181 322 Y HA -0.226 4.324 4.550 -0.000 0.000 0.288 322 Y C 2.725 178.436 175.900 -0.315 0.000 1.146 322 Y CA 1.537 59.292 58.100 -0.575 0.000 1.164 322 Y CB -0.114 37.861 38.460 -0.808 0.000 0.982 322 Y HN 0.346 nan 8.280 nan 0.000 0.515 323 H N -1.567 117.531 119.070 0.047 0.000 2.353 323 H HA -0.155 4.401 4.556 -0.000 0.000 0.300 323 H C 2.446 177.767 175.328 -0.011 0.000 1.090 323 H CA 1.780 57.837 56.048 0.016 0.000 1.327 323 H CB -0.580 29.172 29.762 -0.018 0.000 1.383 323 H HN 0.275 nan 8.280 nan 0.000 0.508 324 V N 1.318 121.285 119.914 0.089 0.000 2.295 324 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 324 V C 2.864 178.966 176.094 0.013 0.000 1.049 324 V CA 1.266 63.558 62.300 -0.012 0.000 1.024 324 V CB -0.687 30.935 31.823 -0.335 0.000 0.648 324 V HN 0.222 nan 8.190 nan 0.000 0.447 325 L N -0.784 120.451 121.223 0.019 0.000 2.012 325 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 325 L C 2.446 179.373 176.870 0.096 0.000 1.073 325 L CA 1.620 56.453 54.840 -0.012 0.000 0.748 325 L CB -0.544 41.278 42.059 -0.396 0.000 0.891 325 L HN 0.288 nan 8.230 nan 0.000 0.431 326 L N -0.496 120.800 121.223 0.122 0.000 2.129 326 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 326 L C 2.538 179.380 176.870 -0.047 0.000 1.087 326 L CA 1.465 56.347 54.840 0.069 0.000 0.757 326 L CB -0.334 41.734 42.059 0.016 0.000 0.896 326 L HN 0.399 nan 8.230 nan 0.000 0.434 327 E N -1.454 118.688 120.200 -0.096 0.000 2.276 327 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 327 E C 1.353 177.665 176.600 -0.481 0.000 0.983 327 E CA 0.437 56.672 56.400 -0.274 0.000 0.861 327 E CB 0.329 29.836 29.700 -0.321 0.000 0.817 327 E HN 0.609 nan 8.360 nan 0.000 0.485 328 H N -1.882 117.067 119.070 -0.202 0.000 3.255 328 H HA 0.156 4.712 4.556 -0.000 0.000 0.256 328 H C -0.385 174.392 175.328 -0.918 0.000 1.049 328 H CA -0.448 55.375 56.048 -0.374 0.000 1.202 328 H CB 0.425 30.055 29.762 -0.219 0.000 1.497 328 H HN 0.016 nan 8.280 nan 0.000 0.503 329 F N 3.215 122.633 119.950 -0.885 0.000 2.602 329 F HA 0.039 4.566 4.527 -0.000 0.000 0.385 329 F C 0.067 175.433 175.800 -0.723 0.000 1.063 329 F CA -0.112 57.229 58.000 -1.098 0.000 1.233 329 F CB 0.571 39.386 39.000 -0.309 0.000 1.067 329 F HN 0.023 nan 8.300 nan 0.000 0.564 330 Q N 8.563 127.444 119.800 -1.532 0.000 2.430 330 Q HA 0.309 4.649 4.340 -0.000 0.000 0.245 330 Q C -2.368 173.149 176.000 -0.806 0.000 1.021 330 Q CA -2.122 53.200 55.803 -0.803 0.000 0.867 330 Q CB 1.279 29.770 28.738 -0.411 0.000 1.210 330 Q HN 0.410 nan 8.270 nan 0.000 0.487 331 P HA 0.060 nan 4.420 nan 0.000 0.268 331 P C 0.743 177.983 177.300 -0.100 0.000 1.204 331 P CA 0.706 63.727 63.100 -0.131 0.000 0.768 331 P CB 0.743 32.503 31.700 0.100 0.000 0.842 332 G N 1.810 110.591 108.800 -0.030 0.000 2.241 332 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.244 332 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.244 332 G C 0.125 175.016 174.900 -0.015 0.000 0.998 332 G CA 0.009 45.104 45.100 -0.009 0.000 0.621 332 G HN 0.652 nan 8.290 nan 0.000 0.519 333 D N 1.398 121.772 120.400 -0.043 0.000 2.316 333 D HA 0.437 5.077 4.640 -0.000 0.000 0.245 333 D C -0.613 175.712 176.300 0.043 0.000 1.171 333 D CA -1.865 52.149 54.000 0.022 0.000 0.856 333 D CB 1.472 42.337 40.800 0.109 0.000 1.090 333 D HN 0.118 nan 8.370 nan 0.000 0.476 334 P HA -0.091 nan 4.420 nan 0.000 0.216 334 P C 0.795 178.097 177.300 0.002 0.000 1.150 334 P CA 0.742 63.845 63.100 0.005 0.000 0.837 334 P CB 0.460 32.150 31.700 -0.018 0.000 0.786 335 D N -1.881 118.507 120.400 -0.019 0.000 2.117 335 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 335 D C 1.920 178.164 176.300 -0.094 0.000 0.982 335 D CA 1.045 54.989 54.000 -0.093 0.000 0.828 335 D CB -0.608 40.094 40.800 -0.163 0.000 0.967 335 D HN 0.246 nan 8.370 nan 0.000 0.464 336 W N 1.680 122.959 121.300 -0.036 0.000 2.388 336 W HA -0.058 4.602 4.660 -0.000 0.000 0.294 336 W C 2.488 179.106 176.519 0.164 0.000 1.212 336 W CA 0.504 57.844 57.345 -0.008 0.000 1.271 336 W CB -0.046 29.230 29.460 -0.308 0.000 1.126 336 W HN 0.027 nan 8.180 nan 0.000 0.535 337 E N -0.012 120.397 120.200 0.348 0.000 2.077 337 E HA -0.267 4.083 4.350 -0.000 0.000 0.193 337 E C 1.865 178.611 176.600 0.243 0.000 0.989 337 E CA 1.481 58.098 56.400 0.362 0.000 0.800 337 E CB -0.187 29.640 29.700 0.212 0.000 0.746 337 E HN 0.102 nan 8.360 nan 0.000 0.452 338 E N 0.979 121.251 120.200 0.121 0.000 2.077 338 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 338 E C 1.872 178.518 176.600 0.076 0.000 0.989 338 E CA 0.672 57.114 56.400 0.070 0.000 0.800 338 E CB -0.192 29.479 29.700 -0.049 0.000 0.746 338 E HN 0.109 nan 8.360 nan 0.000 0.452 339 L N -0.021 121.225 121.223 0.038 0.000 2.056 339 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 339 L C 2.316 179.251 176.870 0.108 0.000 1.078 339 L CA 1.487 56.324 54.840 -0.006 0.000 0.749 339 L CB -0.812 41.211 42.059 -0.060 0.000 0.901 339 L HN 0.358 nan 8.230 nan 0.000 0.433 340 L N -1.252 120.118 121.223 0.244 0.000 2.042 340 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 340 L C 2.348 179.326 176.870 0.179 0.000 1.076 340 L CA 1.939 56.872 54.840 0.156 0.000 0.749 340 L CB -0.912 41.172 42.059 0.041 0.000 0.893 340 L HN 0.344 nan 8.230 nan 0.000 0.432 341 F N 0.257 120.250 119.950 0.072 0.000 2.095 341 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 341 F C 2.312 178.206 175.800 0.157 0.000 1.104 341 F CA 1.924 59.988 58.000 0.107 0.000 1.232 341 F CB -0.128 38.900 39.000 0.047 0.000 0.987 341 F HN 0.025 nan 8.300 nan 0.000 0.475 342 K N -0.195 120.163 120.400 -0.070 0.000 2.062 342 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 342 K C 1.916 178.472 176.600 -0.073 0.000 1.051 342 K CA 0.964 57.146 56.287 -0.174 0.000 0.941 342 K CB -0.428 31.986 32.500 -0.142 0.000 0.719 342 K HN 0.221 nan 8.250 nan 0.000 0.440 343 L N 0.253 121.500 121.223 0.040 0.000 1.989 343 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 343 L C 2.144 179.134 176.870 0.199 0.000 1.071 343 L CA 1.689 56.625 54.840 0.159 0.000 0.749 343 L CB -1.133 41.033 42.059 0.179 0.000 0.890 343 L HN 0.336 nan 8.230 nan 0.000 0.431 344 W N 0.321 121.607 121.300 -0.024 0.000 2.355 344 W HA -0.224 4.436 4.660 -0.000 0.000 0.309 344 W C 2.504 178.772 176.519 -0.417 0.000 1.206 344 W CA 2.274 59.465 57.345 -0.256 0.000 1.284 344 W CB -0.557 28.823 29.460 -0.133 0.000 1.145 344 W HN 0.063 nan 8.180 nan 0.000 0.502 345 T N 0.067 114.359 114.554 -0.437 0.000 2.699 345 T HA -0.305 4.045 4.350 -0.000 0.000 0.268 345 T C 1.781 176.157 174.700 -0.540 0.000 1.036 345 T CA 3.018 64.712 62.100 -0.677 0.000 1.147 345 T CB -0.980 67.506 68.868 -0.636 0.000 0.862 345 T HN 0.450 nan 8.240 nan 0.000 0.446 346 T N 0.515 114.874 114.554 -0.326 0.000 2.821 346 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 346 T C 1.994 176.451 174.700 -0.405 0.000 1.046 346 T CA 1.167 63.114 62.100 -0.254 0.000 1.139 346 T CB -0.238 68.570 68.868 -0.100 0.000 0.871 346 T HN 0.158 nan 8.240 nan 0.000 0.454 347 R N 1.324 121.506 120.500 -0.530 0.000 2.073 347 R HA 0.034 4.374 4.340 -0.000 0.000 0.234 347 R C 2.328 178.263 176.300 -0.609 0.000 1.134 347 R CA 1.583 57.296 56.100 -0.645 0.000 0.952 347 R CB -1.322 28.274 30.300 -1.174 0.000 0.850 347 R HN 0.376 nan 8.270 nan 0.000 0.433 348 V N 0.934 120.365 119.914 -0.804 0.000 2.287 348 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 348 V C 2.395 178.239 176.094 -0.416 0.000 1.053 348 V CA 2.067 63.961 62.300 -0.676 0.000 1.027 348 V CB -0.522 30.678 31.823 -1.039 0.000 0.646 348 V HN 0.297 nan 8.190 nan 0.000 0.447 349 L N 0.286 121.200 121.223 -0.516 0.000 2.017 349 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 349 L C 2.604 179.115 176.870 -0.599 0.000 1.073 349 L CA 1.959 56.428 54.840 -0.618 0.000 0.745 349 L CB -0.819 40.676 42.059 -0.940 0.000 0.894 349 L HN 0.457 nan 8.230 nan 0.000 0.432 350 N N 0.039 118.508 118.700 -0.385 0.000 2.069 350 N HA -0.298 4.442 4.740 -0.000 0.000 0.191 350 N C 2.071 177.484 175.510 -0.162 0.000 1.031 350 N CA 1.960 54.928 53.050 -0.136 0.000 0.852 350 N CB -0.200 38.221 38.487 -0.110 0.000 1.018 350 N HN 0.388 nan 8.380 nan 0.000 0.423 351 Y N 1.676 121.792 120.300 -0.307 0.000 2.181 351 Y HA -0.129 4.421 4.550 -0.000 0.000 0.288 351 Y C 2.418 178.149 175.900 -0.281 0.000 1.146 351 Y CA 2.159 60.069 58.100 -0.317 0.000 1.164 351 Y CB -0.803 37.468 38.460 -0.315 0.000 0.982 351 Y HN -0.008 nan 8.280 nan 0.000 0.515 352 T N 1.267 115.606 114.554 -0.359 0.000 2.684 352 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 352 T C 1.754 176.228 174.700 -0.376 0.000 1.036 352 T CA 2.094 63.964 62.100 -0.384 0.000 1.148 352 T CB -0.206 68.558 68.868 -0.173 0.000 0.863 352 T HN 0.307 nan 8.240 nan 0.000 0.436 353 M N 1.347 120.771 119.600 -0.294 0.000 2.334 353 M HA 0.074 4.554 4.480 -0.000 0.000 0.266 353 M C 2.567 178.754 176.300 -0.188 0.000 1.082 353 M CA 1.278 56.465 55.300 -0.187 0.000 1.141 353 M CB -1.659 30.916 32.600 -0.042 0.000 1.380 353 M HN 0.449 nan 8.290 nan 0.000 0.440 354 T N -3.180 111.240 114.554 -0.223 0.000 3.037 354 T HA 0.211 4.561 4.350 -0.000 0.000 0.251 354 T C 1.632 176.137 174.700 -0.325 0.000 1.079 354 T CA 0.263 62.232 62.100 -0.218 0.000 1.067 354 T CB -0.011 68.770 68.868 -0.145 0.000 0.948 354 T HN 0.088 nan 8.240 nan 0.000 0.496 355 V N 0.965 120.597 119.914 -0.471 0.000 3.001 355 V HA 0.453 4.573 4.120 -0.000 0.000 0.228 355 V C 3.027 178.825 176.094 -0.495 0.000 1.204 355 V CA 0.597 62.589 62.300 -0.513 0.000 1.247 355 V CB -0.808 30.531 31.823 -0.806 0.000 1.093 355 V HN 0.458 nan 8.190 nan 0.000 0.504 356 A N 0.067 122.425 122.820 -0.770 0.000 1.978 356 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 356 A C 2.002 179.413 177.584 -0.289 0.000 1.170 356 A CA 1.904 53.619 52.037 -0.536 0.000 0.636 356 A CB -0.565 18.089 19.000 -0.577 0.000 0.810 356 A HN 0.401 nan 8.150 nan 0.000 0.448 357 L N -0.436 120.612 121.223 -0.292 0.000 2.622 357 L HA 0.042 4.382 4.340 -0.000 0.000 0.233 357 L C 2.024 178.776 176.870 -0.196 0.000 1.156 357 L CA 1.113 55.828 54.840 -0.209 0.000 0.866 357 L CB -0.621 41.318 42.059 -0.199 0.000 0.980 357 L HN 0.321 nan 8.230 nan 0.000 0.448 358 R N -0.659 119.696 120.500 -0.243 0.000 2.300 358 R HA 0.386 4.726 4.340 -0.000 0.000 0.199 358 R C 0.466 176.692 176.300 -0.123 0.000 0.920 358 R CA 0.539 56.474 56.100 -0.275 0.000 1.046 358 R CB 0.181 30.111 30.300 -0.616 0.000 0.984 358 R HN 0.380 nan 8.270 nan 0.000 0.493 359 G N -0.376 108.393 108.800 -0.052 0.000 2.484 359 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.685 359 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.685 359 G C -0.324 174.633 174.900 0.096 0.000 1.294 359 G CA -0.566 44.559 45.100 0.041 0.000 0.879 359 G HN 0.117 nan 8.290 nan 0.000 0.646 360 Y N 0.534 120.851 120.300 0.027 0.000 2.097 360 Y HA -0.159 4.391 4.550 -0.000 0.000 0.282 360 Y C 2.510 178.452 175.900 0.070 0.000 1.152 360 Y CA 2.849 60.976 58.100 0.044 0.000 1.136 360 Y CB 0.089 38.574 38.460 0.043 0.000 0.975 360 Y HN 0.592 nan 8.280 nan 0.000 0.498 361 D N -0.931 119.567 120.400 0.164 0.000 2.097 361 D HA -0.242 4.398 4.640 -0.000 0.000 0.195 361 D C 1.963 178.275 176.300 0.021 0.000 0.989 361 D CA 1.714 55.768 54.000 0.090 0.000 0.827 361 D CB -0.940 39.950 40.800 0.150 0.000 0.966 361 D HN 0.496 nan 8.370 nan 0.000 0.456 362 Y N 1.674 121.954 120.300 -0.033 0.000 2.114 362 Y HA -0.290 4.260 4.550 -0.000 0.000 0.282 362 Y C 2.298 178.158 175.900 -0.067 0.000 1.165 362 Y CA 2.106 60.180 58.100 -0.043 0.000 1.148 362 Y CB -0.295 38.130 38.460 -0.059 0.000 0.972 362 Y HN -0.037 nan 8.280 nan 0.000 0.504 363 A N 0.157 122.986 122.820 0.014 0.000 1.883 363 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 363 A C 2.141 179.622 177.584 -0.172 0.000 1.186 363 A CA 1.914 53.907 52.037 -0.074 0.000 0.624 363 A CB -0.739 18.179 19.000 -0.136 0.000 0.822 363 A HN 0.587 nan 8.150 nan 0.000 0.444 364 Q N -0.425 119.205 119.800 -0.284 0.000 2.002 364 Q HA -0.286 4.054 4.340 -0.000 0.000 0.204 364 Q C 2.348 178.295 176.000 -0.089 0.000 0.988 364 Q CA 2.213 57.879 55.803 -0.229 0.000 0.843 364 Q CB -0.578 28.063 28.738 -0.162 0.000 0.908 364 Q HN 0.985 nan 8.270 nan 0.000 0.420 365 Q N -0.199 119.548 119.800 -0.089 0.000 2.152 365 Q HA -0.232 4.108 4.340 -0.000 0.000 0.206 365 Q C 1.889 177.788 176.000 -0.168 0.000 0.985 365 Q CA 1.977 57.727 55.803 -0.087 0.000 0.863 365 Q CB -1.076 27.582 28.738 -0.133 0.000 0.904 365 Q HN 0.462 nan 8.270 nan 0.000 0.422 366 Y N 0.788 120.852 120.300 -0.394 0.000 2.114 366 Y HA -0.145 4.405 4.550 -0.000 0.000 0.284 366 Y C 1.812 177.516 175.900 -0.326 0.000 1.143 366 Y CA 1.804 59.685 58.100 -0.365 0.000 1.135 366 Y CB -0.163 38.095 38.460 -0.337 0.000 0.980 366 Y HN 0.146 nan 8.280 nan 0.000 0.499 367 L N -1.120 119.859 121.223 -0.408 0.000 2.046 367 L HA -0.273 4.067 4.340 -0.000 0.000 0.208 367 L C 2.250 178.732 176.870 -0.646 0.000 1.077 367 L CA 1.541 55.900 54.840 -0.802 0.000 0.747 367 L CB -0.810 40.274 42.059 -1.624 0.000 0.896 367 L HN 0.271 nan 8.230 nan 0.000 0.432 368 Y N -0.014 120.104 120.300 -0.305 0.000 2.145 368 Y HA -0.222 4.328 4.550 -0.000 0.000 0.286 368 Y C 2.773 178.537 175.900 -0.226 0.000 1.145 368 Y CA 1.288 59.311 58.100 -0.129 0.000 1.148 368 Y CB -0.428 38.000 38.460 -0.053 0.000 0.981 368 Y HN 0.012 nan 8.280 nan 0.000 0.507 369 R N -0.458 119.944 120.500 -0.163 0.000 2.152 369 R HA -0.193 4.147 4.340 -0.000 0.000 0.232 369 R C 2.366 178.445 176.300 -0.367 0.000 1.117 369 R CA 1.479 57.439 56.100 -0.233 0.000 0.981 369 R CB -0.357 29.799 30.300 -0.239 0.000 0.870 369 R HN 0.421 nan 8.270 nan 0.000 0.451 370 M N 0.745 120.002 119.600 -0.573 0.000 2.067 370 M HA -0.185 4.295 4.480 -0.000 0.000 0.260 370 M C 1.859 177.803 176.300 -0.595 0.000 1.069 370 M CA 1.770 56.633 55.300 -0.729 0.000 1.117 370 M CB -0.037 32.056 32.600 -0.846 0.000 1.334 370 M HN 0.151 nan 8.290 nan 0.000 0.407 371 L N -0.205 120.835 121.223 -0.304 0.000 2.042 371 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 371 L C 2.675 179.475 176.870 -0.116 0.000 1.076 371 L CA 1.371 56.135 54.840 -0.126 0.000 0.749 371 L CB -1.584 40.425 42.059 -0.083 0.000 0.893 371 L HN 0.517 nan 8.230 nan 0.000 0.432 372 G N -0.058 108.654 108.800 -0.146 0.000 2.459 372 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 372 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 372 G C 1.741 176.636 174.900 -0.008 0.000 1.183 372 G CA 0.577 45.636 45.100 -0.070 0.000 0.776 372 G HN 0.271 nan 8.290 nan 0.000 0.552 373 R N -0.773 119.676 120.500 -0.085 0.000 2.091 373 R HA -0.068 4.272 4.340 -0.000 0.000 0.238 373 R C 2.401 178.795 176.300 0.156 0.000 1.136 373 R CA 1.466 57.563 56.100 -0.004 0.000 0.959 373 R CB -0.526 29.710 30.300 -0.106 0.000 0.856 373 R HN 0.572 nan 8.270 nan 0.000 0.437 374 Y N 0.167 120.479 120.300 0.019 0.000 2.145 374 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 374 Y C 2.709 178.620 175.900 0.018 0.000 1.145 374 Y CA 0.682 58.791 58.100 0.014 0.000 1.148 374 Y CB -0.083 38.362 38.460 -0.026 0.000 0.981 374 Y HN 0.051 nan 8.280 nan 0.000 0.507 375 R N -0.640 119.964 120.500 0.173 0.000 2.083 375 R HA -0.249 4.091 4.340 -0.000 0.000 0.237 375 R C 2.156 178.513 176.300 0.095 0.000 1.137 375 R CA 2.078 58.233 56.100 0.092 0.000 0.951 375 R CB -0.718 29.623 30.300 0.069 0.000 0.851 375 R HN 0.418 nan 8.270 nan 0.000 0.434 376 Y N 1.491 121.808 120.300 0.029 0.000 2.114 376 Y HA -0.302 4.248 4.550 -0.000 0.000 0.284 376 Y C 2.784 178.709 175.900 0.042 0.000 1.143 376 Y CA 1.907 60.024 58.100 0.029 0.000 1.135 376 Y CB -0.105 38.376 38.460 0.035 0.000 0.980 376 Y HN 0.100 nan 8.280 nan 0.000 0.499 377 Q N 0.251 120.136 119.800 0.142 0.000 2.096 377 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 377 Q C 2.300 178.287 176.000 -0.022 0.000 0.982 377 Q CA 1.719 57.559 55.803 0.062 0.000 0.850 377 Q CB -0.391 28.448 28.738 0.169 0.000 0.901 377 Q HN 0.600 nan 8.270 nan 0.000 0.422 378 A N 0.865 123.688 122.820 0.004 0.000 1.902 378 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 378 A C 2.301 179.852 177.584 -0.054 0.000 1.181 378 A CA 1.785 53.808 52.037 -0.022 0.000 0.623 378 A CB -0.935 18.054 19.000 -0.018 0.000 0.818 378 A HN 0.572 nan 8.150 nan 0.000 0.443 379 A N -0.462 122.301 122.820 -0.095 0.000 2.019 379 A HA 0.008 4.328 4.320 -0.000 0.000 0.219 379 A C 2.127 179.652 177.584 -0.098 0.000 1.164 379 A CA 1.262 53.255 52.037 -0.073 0.000 0.644 379 A CB -0.519 18.400 19.000 -0.134 0.000 0.805 379 A HN 0.489 nan 8.150 nan 0.000 0.449 380 L N 0.112 121.218 121.223 -0.194 0.000 1.956 380 L HA -0.254 4.086 4.340 -0.000 0.000 0.216 380 L C 3.016 179.837 176.870 -0.081 0.000 1.073 380 L CA 2.126 56.866 54.840 -0.167 0.000 0.762 380 L CB -0.653 41.297 42.059 -0.182 0.000 0.889 380 L HN 0.642 nan 8.230 nan 0.000 0.433 381 E N 0.443 120.603 120.200 -0.066 0.000 2.001 381 E HA -0.073 4.277 4.350 -0.000 0.000 0.193 381 E C 0.925 177.504 176.600 -0.034 0.000 0.994 381 E CA 1.372 57.741 56.400 -0.052 0.000 0.815 381 E CB -0.643 29.014 29.700 -0.072 0.000 0.770 381 E HN 0.595 nan 8.360 nan 0.000 0.453 382 N N 0.000 118.685 118.700 -0.025 0.000 1.763 382 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 382 N CA 0.000 nan 53.050 nan 0.000 0.885 382 N CB 0.000 nan 38.487 nan 0.000 1.341 382 N HN 0.000 nan 8.380 nan 0.000 0.667