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 3dr2_1_B DATA FIRST_RESID 5 DATA SEQUENCE CRVRPAGPAV PADCDPPRIT HAALAARLGD ARLLTLYDQA TWSEGPAWWE DATA SEQUENCE AQRTLVWSDL VGRRVLGWRE DGTVDVLLDA TAFTNGNAVD AQQRLVHCEH DATA SEQUENCE GRRAITRSDA DGQAHLLVGR YAGKRLNSPN DLIVARDGAI WFTDPPFGLR DATA SEQUENCE KPSQGCPADP ELAHHSVYRL PPDGSPLQRM ADLDHPNGLA FSPDEQTLYV DATA SEQUENCE SQTPXXXXGS VEITAFAWRD GALHDRRHFA SVPDGLPDGF CVDRGGWLWS DATA SEQUENCE SSGTGVCVFD SDGQLLGHIP TPGTASNCTF DQAQQRLFIT GGPCLWMLPL DATA SEQUENCE P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 C HA 0.000 nan 4.460 nan 0.000 0.325 5 C C 0.000 174.972 174.990 -0.030 0.000 1.270 5 C CA 0.000 58.998 59.018 -0.033 0.000 1.963 5 C CB 0.000 27.718 27.740 -0.037 0.000 2.134 6 R N 3.922 124.414 120.500 -0.013 0.000 2.202 6 R HA 0.525 4.865 4.340 0.000 0.000 0.334 6 R C 0.999 177.318 176.300 0.031 0.000 1.036 6 R CA 0.302 56.402 56.100 0.000 0.000 0.878 6 R CB 1.207 31.511 30.300 0.005 0.000 1.067 6 R HN 1.043 nan 8.270 nan 0.000 0.457 7 V N 1.520 121.465 119.914 0.052 0.000 3.590 7 V HA 0.324 4.444 4.120 0.000 0.000 0.265 7 V C 0.641 176.884 176.094 0.247 0.000 1.239 7 V CA 0.204 62.586 62.300 0.137 0.000 1.117 7 V CB -0.403 31.511 31.823 0.151 0.000 0.818 7 V HN 0.669 nan 8.190 nan 0.000 0.451 8 R N 0.937 121.564 120.500 0.213 0.000 2.522 8 R HA 0.509 4.849 4.340 0.000 0.000 0.283 8 R C -3.265 173.119 176.300 0.140 0.000 1.074 8 R CA -1.749 54.494 56.100 0.238 0.000 0.925 8 R CB 2.791 33.331 30.300 0.400 0.000 1.205 8 R HN 0.121 nan 8.270 nan 0.000 0.436 9 P HA 0.124 nan 4.420 nan 0.000 0.274 9 P C -0.891 176.449 177.300 0.066 0.000 1.246 9 P CA -0.241 62.899 63.100 0.066 0.000 0.795 9 P CB 0.821 32.554 31.700 0.055 0.000 1.006 10 A N 1.267 124.107 122.820 0.033 0.000 2.466 10 A HA 0.535 4.855 4.320 0.000 0.000 0.238 10 A C 0.651 178.264 177.584 0.048 0.000 1.074 10 A CA 1.055 53.104 52.037 0.021 0.000 0.774 10 A CB -0.941 18.055 19.000 -0.006 0.000 1.015 10 A HN 0.723 nan 8.150 nan 0.000 0.498 11 G N 1.147 109.986 108.800 0.064 0.000 2.358 11 G HA2 0.464 4.424 3.960 0.000 0.000 0.301 11 G HA3 0.464 4.424 3.960 0.000 0.000 0.301 11 G C -3.298 171.670 174.900 0.112 0.000 1.539 11 G CA -0.361 44.786 45.100 0.079 0.000 0.893 11 G HN 0.750 nan 8.290 nan 0.000 0.636 12 P HA 0.501 nan 4.420 nan 0.000 0.272 12 P C 0.332 177.714 177.300 0.138 0.000 1.223 12 P CA 0.207 63.377 63.100 0.118 0.000 0.784 12 P CB 1.196 32.946 31.700 0.083 0.000 0.923 13 A N 2.054 124.967 122.820 0.155 0.000 2.332 13 A HA 0.430 4.750 4.320 0.000 0.000 0.258 13 A C -0.126 177.514 177.584 0.093 0.000 1.087 13 A CA -0.429 51.694 52.037 0.143 0.000 0.802 13 A CB 0.237 19.318 19.000 0.135 0.000 1.042 13 A HN 0.387 nan 8.150 nan 0.000 0.489 14 V N 2.548 122.512 119.914 0.083 0.000 2.555 14 V HA 0.353 4.473 4.120 0.000 0.000 0.302 14 V C -2.274 173.850 176.094 0.050 0.000 1.038 14 V CA -1.599 60.737 62.300 0.061 0.000 0.887 14 V CB 1.681 33.540 31.823 0.059 0.000 0.991 14 V HN 0.788 nan 8.190 nan 0.000 0.434 15 P HA 0.120 nan 4.420 nan 0.000 0.265 15 P C -0.532 176.776 177.300 0.014 0.000 1.187 15 P CA 0.262 63.368 63.100 0.011 0.000 0.766 15 P CB 0.441 32.141 31.700 0.000 0.000 0.820 16 A N 2.277 125.091 122.820 -0.010 0.000 2.340 16 A HA 0.222 4.542 4.320 0.000 0.000 0.268 16 A C 0.186 177.733 177.584 -0.062 0.000 1.100 16 A CA -0.168 51.853 52.037 -0.028 0.000 0.803 16 A CB -0.068 18.848 19.000 -0.140 0.000 1.043 16 A HN 0.465 nan 8.150 nan 0.000 0.488 17 D N 0.864 121.236 120.400 -0.047 0.000 2.483 17 D HA 0.424 5.064 4.640 0.000 0.000 0.220 17 D C -0.330 175.916 176.300 -0.091 0.000 1.173 17 D CA 0.165 54.135 54.000 -0.050 0.000 0.964 17 D CB -0.397 40.392 40.800 -0.018 0.000 1.046 17 D HN 0.714 nan 8.370 nan 0.000 0.517 18 C N 1.132 120.367 119.300 -0.108 0.000 3.306 18 C HA 0.568 5.028 4.460 0.000 0.000 0.335 18 C C -0.680 174.253 174.990 -0.096 0.000 1.382 18 C CA -1.148 57.794 59.018 -0.125 0.000 1.254 18 C CB 1.076 28.688 27.740 -0.212 0.000 1.555 18 C HN 0.282 nan 8.230 nan 0.000 0.463 19 D N 2.309 122.661 120.400 -0.080 0.000 2.372 19 D HA 0.472 5.113 4.640 0.000 0.000 0.243 19 D C -2.207 174.056 176.300 -0.062 0.000 1.121 19 D CA -0.505 53.461 54.000 -0.058 0.000 0.898 19 D CB 0.576 41.351 40.800 -0.041 0.000 1.202 19 D HN 0.438 nan 8.370 nan 0.000 0.428 20 P HA 0.154 nan 4.420 nan 0.000 0.270 20 P C -2.457 174.820 177.300 -0.039 0.000 1.223 20 P CA -0.831 62.241 63.100 -0.048 0.000 0.785 20 P CB -0.184 31.495 31.700 -0.035 0.000 0.923 21 P HA 0.020 nan 4.420 nan 0.000 0.265 21 P C -0.640 176.649 177.300 -0.019 0.000 1.187 21 P CA 0.503 63.581 63.100 -0.036 0.000 0.766 21 P CB 0.306 31.984 31.700 -0.038 0.000 0.820 22 R N 3.351 123.850 120.500 -0.001 0.000 2.280 22 R HA 0.409 4.749 4.340 0.000 0.000 0.326 22 R C -0.474 175.804 176.300 -0.038 0.000 1.080 22 R CA -0.501 55.593 56.100 -0.011 0.000 1.002 22 R CB 0.317 30.620 30.300 0.006 0.000 1.136 22 R HN 0.339 nan 8.270 nan 0.000 0.509 23 I N 2.395 122.939 120.570 -0.042 0.000 2.336 23 I HA 0.189 4.359 4.170 0.000 0.000 0.292 23 I C 0.969 177.057 176.117 -0.050 0.000 0.991 23 I CA -0.350 60.916 61.300 -0.056 0.000 1.227 23 I CB 1.446 39.425 38.000 -0.036 0.000 1.366 23 I HN 0.506 nan 8.210 nan 0.000 0.466 24 T N 3.551 118.065 114.554 -0.067 0.000 2.990 24 T HA 0.003 4.353 4.350 0.000 0.000 0.237 24 T C 0.720 175.404 174.700 -0.026 0.000 1.009 24 T CA 0.654 62.718 62.100 -0.061 0.000 1.195 24 T CB -0.146 68.666 68.868 -0.092 0.000 0.885 24 T HN 0.489 nan 8.240 nan 0.000 0.424 25 H N 1.599 120.586 119.070 -0.137 0.000 2.928 25 H HA 0.322 4.878 4.556 0.001 0.000 0.338 25 H C 1.206 176.498 175.328 -0.061 0.000 1.047 25 H CA -0.014 55.965 56.048 -0.116 0.000 1.435 25 H CB 0.716 30.360 29.762 -0.196 0.000 1.428 25 H HN 0.260 nan 8.280 nan 0.000 0.590 26 A N 5.116 128.175 122.820 0.398 0.000 1.972 26 A HA -0.106 4.214 4.320 0.000 0.000 0.219 26 A C 2.442 180.162 177.584 0.228 0.000 1.169 26 A CA 1.493 53.676 52.037 0.243 0.000 0.635 26 A CB -0.716 18.384 19.000 0.166 0.000 0.810 26 A HN 0.798 nan 8.150 nan 0.000 0.446 27 A N -0.562 122.409 122.820 0.252 0.000 1.902 27 A HA -0.019 4.301 4.320 0.000 0.000 0.217 27 A C 2.097 179.792 177.584 0.186 0.000 1.181 27 A CA 1.704 53.785 52.037 0.073 0.000 0.623 27 A CB -0.513 18.407 19.000 -0.133 0.000 0.818 27 A HN 0.652 nan 8.150 nan 0.000 0.443 28 L N -0.492 120.749 121.223 0.030 0.000 2.156 28 L HA 0.091 4.431 4.340 0.000 0.000 0.208 28 L C 2.609 179.538 176.870 0.097 0.000 1.095 28 L CA 1.824 56.709 54.840 0.075 0.000 0.770 28 L CB -0.744 41.169 42.059 -0.244 0.000 0.914 28 L HN 0.324 nan 8.230 nan 0.000 0.439 29 A N -0.308 122.552 122.820 0.067 0.000 1.908 29 A HA -0.138 4.182 4.320 0.000 0.000 0.218 29 A C 2.446 180.075 177.584 0.074 0.000 1.181 29 A CA 1.825 53.897 52.037 0.059 0.000 0.627 29 A CB -1.109 17.922 19.000 0.050 0.000 0.818 29 A HN 0.543 nan 8.150 nan 0.000 0.445 30 A N -0.512 122.361 122.820 0.089 0.000 1.930 30 A HA -0.098 4.222 4.320 0.000 0.000 0.217 30 A C 2.171 179.806 177.584 0.086 0.000 1.175 30 A CA 1.950 54.033 52.037 0.076 0.000 0.627 30 A CB -0.391 18.652 19.000 0.072 0.000 0.815 30 A HN 0.465 nan 8.150 nan 0.000 0.443 31 R N -0.028 120.553 120.500 0.136 0.000 2.092 31 R HA 0.041 4.381 4.340 0.000 0.000 0.231 31 R C 1.693 178.091 176.300 0.164 0.000 1.119 31 R CA 1.581 57.779 56.100 0.164 0.000 0.970 31 R CB -0.504 29.980 30.300 0.307 0.000 0.864 31 R HN 0.513 nan 8.270 nan 0.000 0.440 32 L N -0.951 120.367 121.223 0.159 0.000 2.354 32 L HA 0.286 4.626 4.340 0.000 0.000 0.212 32 L C 1.634 178.543 176.870 0.066 0.000 1.091 32 L CA 0.257 55.172 54.840 0.125 0.000 0.828 32 L CB -0.749 41.381 42.059 0.119 0.000 0.973 32 L HN 0.511 nan 8.230 nan 0.000 0.461 33 G N 1.651 110.485 108.800 0.055 0.000 2.634 33 G HA2 -0.397 3.563 3.960 0.000 0.000 0.309 33 G HA3 -0.397 3.563 3.960 0.000 0.000 0.309 33 G C -0.116 174.797 174.900 0.021 0.000 1.265 33 G CA 0.758 45.878 45.100 0.033 0.000 0.998 33 G HN 0.465 nan 8.290 nan 0.000 0.551 34 D N 1.816 122.223 120.400 0.012 0.000 2.525 34 D HA 0.570 5.210 4.640 0.000 0.000 0.229 34 D C 0.933 177.231 176.300 -0.004 0.000 1.202 34 D CA 0.537 54.539 54.000 0.003 0.000 0.828 34 D CB 0.447 41.248 40.800 0.000 0.000 1.008 34 D HN 0.796 nan 8.370 nan 0.000 0.493 35 A N 1.306 124.126 122.820 -0.000 0.000 2.531 35 A HA 0.283 4.603 4.320 0.000 0.000 0.236 35 A C 0.435 178.002 177.584 -0.027 0.000 1.062 35 A CA 0.151 52.181 52.037 -0.013 0.000 0.760 35 A CB 0.396 19.393 19.000 -0.005 0.000 0.995 35 A HN 0.080 nan 8.150 nan 0.000 0.501 36 R N 1.209 121.686 120.500 -0.040 0.000 2.561 36 R HA 0.371 4.711 4.340 0.000 0.000 0.297 36 R C -1.010 175.247 176.300 -0.071 0.000 0.969 36 R CA -1.052 55.017 56.100 -0.052 0.000 0.879 36 R CB 1.359 31.636 30.300 -0.040 0.000 1.178 36 R HN 0.685 nan 8.270 nan 0.000 0.445 37 L N 3.153 124.317 121.223 -0.098 0.000 2.485 37 L HA 0.186 4.526 4.340 0.000 0.000 0.275 37 L C -0.606 176.217 176.870 -0.078 0.000 1.207 37 L CA 0.716 55.484 54.840 -0.120 0.000 0.855 37 L CB 0.283 42.222 42.059 -0.201 0.000 1.114 37 L HN 0.461 nan 8.230 nan 0.000 0.485 38 L N 3.506 124.701 121.223 -0.047 0.000 2.323 38 L HA 0.543 4.883 4.340 0.000 0.000 0.265 38 L C -0.137 176.796 176.870 0.106 0.000 1.012 38 L CA -0.797 54.048 54.840 0.008 0.000 0.820 38 L CB 2.013 44.061 42.059 -0.019 0.000 1.334 38 L HN 0.452 nan 8.230 nan 0.000 0.427 39 T N 2.139 116.776 114.554 0.138 0.000 2.758 39 T HA 0.425 4.775 4.350 0.000 0.000 0.285 39 T C 1.016 175.768 174.700 0.087 0.000 0.981 39 T CA -0.374 61.840 62.100 0.191 0.000 0.965 39 T CB 1.057 70.043 68.868 0.197 0.000 0.927 39 T HN 0.422 nan 8.240 nan 0.000 0.448 40 L N 2.296 123.523 121.223 0.006 0.000 2.463 40 L HA 0.399 4.739 4.340 0.000 0.000 0.219 40 L C -0.113 176.899 176.870 0.236 0.000 1.088 40 L CA 0.249 55.122 54.840 0.055 0.000 0.849 40 L CB 0.239 42.126 42.059 -0.286 0.000 1.012 40 L HN 0.567 nan 8.230 nan 0.000 0.468 41 Y N 0.614 120.892 120.300 -0.037 0.000 2.565 41 Y HA 0.239 4.790 4.550 0.000 0.000 0.330 41 Y C -1.406 174.479 175.900 -0.025 0.000 1.150 41 Y CA -1.639 56.498 58.100 0.061 0.000 1.055 41 Y CB 1.339 39.930 38.460 0.218 0.000 1.337 41 Y HN 0.129 nan 8.280 nan 0.000 0.457 42 D N 1.246 121.376 120.400 -0.449 0.000 2.740 42 D HA 0.106 4.746 4.640 0.000 0.000 0.305 42 D C -0.244 175.840 176.300 -0.360 0.000 1.583 42 D CA -0.027 53.797 54.000 -0.293 0.000 0.790 42 D CB 0.329 41.047 40.800 -0.137 0.000 1.187 42 D HN 0.448 nan 8.370 nan 0.000 0.447 43 Q N 0.348 119.710 119.800 -0.730 0.000 2.179 43 Q HA 0.492 4.833 4.340 0.000 0.000 0.213 43 Q C 0.471 176.460 176.000 -0.018 0.000 0.833 43 Q CA -0.188 55.377 55.803 -0.396 0.000 0.990 43 Q CB 1.588 30.043 28.738 -0.472 0.000 1.132 43 Q HN 0.454 nan 8.270 nan 0.000 0.493 44 A N -0.299 122.622 122.820 0.168 0.000 2.257 44 A HA 0.532 4.852 4.320 0.000 0.000 0.290 44 A C 0.995 178.666 177.584 0.145 0.000 1.201 44 A CA -0.024 52.172 52.037 0.266 0.000 0.863 44 A CB 0.533 19.765 19.000 0.386 0.000 1.256 44 A HN 0.095 nan 8.150 nan 0.000 0.506 45 T N -1.649 113.004 114.554 0.164 0.000 3.085 45 T HA 0.138 4.488 4.350 0.000 0.000 0.241 45 T C -0.174 174.670 174.700 0.241 0.000 0.988 45 T CA 0.387 62.591 62.100 0.172 0.000 1.117 45 T CB 0.145 69.122 68.868 0.181 0.000 0.978 45 T HN 0.590 nan 8.240 nan 0.000 0.454 46 W N 3.256 124.594 121.300 0.064 0.000 2.481 46 W HA 0.558 5.218 4.660 0.000 0.000 0.285 46 W C -1.268 175.299 176.519 0.080 0.000 1.017 46 W CA -0.964 56.417 57.345 0.061 0.000 1.499 46 W CB 0.872 30.364 29.460 0.053 0.000 1.381 46 W HN -0.050 nan 8.180 nan 0.000 0.390 47 S N 3.754 119.548 115.700 0.156 0.000 2.549 47 S HA 0.308 4.778 4.470 0.000 0.000 0.279 47 S C 0.061 174.808 174.600 0.246 0.000 1.321 47 S CA 0.300 58.670 58.200 0.285 0.000 1.054 47 S CB 1.558 64.896 63.200 0.229 0.000 0.899 47 S HN 0.363 nan 8.310 nan 0.000 0.497 48 E N 0.197 120.608 120.200 0.351 0.000 2.454 48 E HA 0.411 4.762 4.350 0.000 0.000 0.279 48 E C -0.012 176.732 176.600 0.239 0.000 1.029 48 E CA -0.822 55.734 56.400 0.259 0.000 0.831 48 E CB 1.377 31.233 29.700 0.260 0.000 1.405 48 E HN 0.794 nan 8.360 nan 0.000 0.463 49 G N 3.108 112.006 108.800 0.163 0.000 2.306 49 G HA2 -0.186 3.774 3.960 0.000 0.000 0.274 49 G HA3 -0.186 3.774 3.960 0.000 0.000 0.274 49 G C -2.339 172.655 174.900 0.155 0.000 0.890 49 G CA -0.062 45.117 45.100 0.131 0.000 1.298 49 G HN 0.123 nan 8.290 nan 0.000 0.445 50 P HA 0.508 nan 4.420 nan 0.000 0.276 50 P C -0.261 177.101 177.300 0.103 0.000 1.230 50 P CA 0.231 63.408 63.100 0.128 0.000 0.776 50 P CB 1.745 33.465 31.700 0.033 0.000 0.888 51 A N 4.432 127.315 122.820 0.104 0.000 2.429 51 A HA 0.328 4.648 4.320 0.000 0.000 0.289 51 A C -1.135 176.547 177.584 0.163 0.000 1.043 51 A CA -0.724 51.383 52.037 0.117 0.000 0.722 51 A CB 0.968 19.999 19.000 0.052 0.000 1.243 51 A HN 0.669 nan 8.150 nan 0.000 0.415 52 W N 4.407 125.734 121.300 0.043 0.000 2.303 52 W HA 0.363 5.023 4.660 0.000 0.000 0.318 52 W C -1.319 175.325 176.519 0.207 0.000 1.362 52 W CA -0.092 57.304 57.345 0.086 0.000 1.234 52 W CB 0.766 30.296 29.460 0.116 0.000 1.248 52 W HN 0.720 nan 8.180 nan 0.000 0.546 53 W N 8.304 129.158 121.300 -0.743 0.000 2.351 53 W HA 0.200 4.861 4.660 0.001 0.000 0.320 53 W C 1.082 177.104 176.519 -0.828 0.000 0.947 53 W CA -1.411 55.592 57.345 -0.571 0.000 1.565 53 W CB 0.187 29.427 29.460 -0.367 0.000 1.409 53 W HN 0.574 nan 8.180 nan 0.000 0.399 54 E N 3.849 123.808 120.200 -0.402 0.000 2.114 54 E HA -0.239 4.112 4.350 0.000 0.000 0.199 54 E C 2.065 178.512 176.600 -0.255 0.000 1.008 54 E CA 2.596 58.886 56.400 -0.182 0.000 0.810 54 E CB -0.083 29.726 29.700 0.183 0.000 0.739 54 E HN 0.396 nan 8.360 nan 0.000 0.456 55 A N -0.084 122.551 122.820 -0.309 0.000 2.024 55 A HA -0.190 4.130 4.320 0.000 0.000 0.220 55 A C 1.874 179.083 177.584 -0.625 0.000 1.164 55 A CA 1.775 53.573 52.037 -0.398 0.000 0.643 55 A CB -0.247 18.555 19.000 -0.330 0.000 0.806 55 A HN 0.319 nan 8.150 nan 0.000 0.451 56 Q N -1.719 117.504 119.800 -0.961 0.000 2.189 56 Q HA 0.161 4.501 4.340 0.000 0.000 0.223 56 Q C -0.465 175.194 176.000 -0.568 0.000 0.828 56 Q CA -0.185 55.109 55.803 -0.848 0.000 0.967 56 Q CB 0.552 28.502 28.738 -1.313 0.000 1.139 56 Q HN 0.679 nan 8.270 nan 0.000 0.497 57 R N 1.001 121.164 120.500 -0.562 0.000 3.301 57 R HA -0.116 4.224 4.340 0.000 0.000 0.249 57 R C -0.653 175.296 176.300 -0.585 0.000 0.964 57 R CA 0.807 56.622 56.100 -0.476 0.000 0.653 57 R CB -2.113 28.169 30.300 -0.030 0.000 1.043 57 R HN 0.071 nan 8.270 nan 0.000 0.454 58 T N 0.635 114.704 114.554 -0.808 0.000 2.876 58 T HA 0.360 4.711 4.350 0.000 0.000 0.289 58 T C -0.499 174.057 174.700 -0.240 0.000 1.014 58 T CA -0.780 61.123 62.100 -0.328 0.000 0.986 58 T CB 2.159 70.962 68.868 -0.108 0.000 1.021 58 T HN 0.106 nan 8.240 nan 0.000 0.458 59 L N 4.621 125.942 121.223 0.164 0.000 2.255 59 L HA 0.541 4.881 4.340 0.000 0.000 0.289 59 L C -0.777 176.235 176.870 0.237 0.000 1.046 59 L CA -0.332 54.568 54.840 0.099 0.000 0.816 59 L CB 0.454 42.316 42.059 -0.328 0.000 1.197 59 L HN 0.423 nan 8.230 nan 0.000 0.427 60 V N 6.589 126.613 119.914 0.183 0.000 2.509 60 V HA 0.476 4.597 4.120 0.000 0.000 0.284 60 V C -0.326 175.945 176.094 0.295 0.000 1.047 60 V CA -0.296 62.120 62.300 0.193 0.000 0.952 60 V CB 1.226 33.065 31.823 0.026 0.000 0.988 60 V HN 0.921 nan 8.190 nan 0.000 0.469 61 W N 3.396 124.661 121.300 -0.058 0.000 3.153 61 W HA 0.731 5.391 4.660 0.000 0.000 0.316 61 W C -1.033 175.450 176.519 -0.060 0.000 1.255 61 W CA -0.721 56.592 57.345 -0.053 0.000 1.192 61 W CB 0.888 30.314 29.460 -0.058 0.000 1.400 61 W HN 0.515 nan 8.180 nan 0.000 0.568 62 S N 1.106 116.728 115.700 -0.130 0.000 2.607 62 S HA 0.433 4.903 4.470 0.000 0.000 0.303 62 S C -1.375 173.108 174.600 -0.195 0.000 1.086 62 S CA -0.749 57.271 58.200 -0.301 0.000 0.995 62 S CB 1.994 65.091 63.200 -0.171 0.000 1.084 62 S HN 0.543 nan 8.310 nan 0.000 0.507 63 D N 1.080 121.345 120.400 -0.225 0.000 2.485 63 D HA 0.215 4.856 4.640 0.000 0.000 0.229 63 D C 0.723 177.020 176.300 -0.006 0.000 1.101 63 D CA -0.785 53.194 54.000 -0.035 0.000 0.906 63 D CB 0.705 41.465 40.800 -0.066 0.000 1.019 63 D HN 0.375 nan 8.370 nan 0.000 0.516 64 L N 4.427 125.701 121.223 0.086 0.000 1.990 64 L HA -0.179 4.161 4.340 0.000 0.000 0.213 64 L C 1.746 178.655 176.870 0.065 0.000 1.072 64 L CA 1.835 56.690 54.840 0.026 0.000 0.755 64 L CB -0.467 41.576 42.059 -0.027 0.000 0.889 64 L HN 0.335 nan 8.230 nan 0.000 0.432 65 V N -0.175 119.808 119.914 0.115 0.000 2.548 65 V HA -0.097 4.023 4.120 0.000 0.000 0.249 65 V C 2.389 178.530 176.094 0.077 0.000 1.055 65 V CA 1.553 63.933 62.300 0.134 0.000 1.065 65 V CB -1.232 30.691 31.823 0.167 0.000 0.681 65 V HN 0.639 nan 8.190 nan 0.000 0.462 66 G N -0.644 108.178 108.800 0.037 0.000 2.920 66 G HA2 -0.042 3.918 3.960 0.000 0.000 0.208 66 G HA3 -0.042 3.918 3.960 0.000 0.000 0.208 66 G C 0.743 175.571 174.900 -0.120 0.000 1.159 66 G CA -0.246 44.842 45.100 -0.021 0.000 0.784 66 G HN 0.526 nan 8.290 nan 0.000 0.535 67 R N -0.838 119.551 120.500 -0.184 0.000 3.264 67 R HA -0.153 4.187 4.340 0.000 0.000 0.251 67 R C -0.176 175.967 176.300 -0.262 0.000 0.971 67 R CA 0.641 56.552 56.100 -0.315 0.000 0.658 67 R CB -1.637 28.387 30.300 -0.461 0.000 1.095 67 R HN 0.413 nan 8.270 nan 0.000 0.443 68 R N -0.515 119.841 120.500 -0.240 0.000 2.774 68 R HA 0.594 4.935 4.340 0.000 0.000 0.272 68 R C -1.018 175.089 176.300 -0.322 0.000 1.000 68 R CA -0.982 54.959 56.100 -0.264 0.000 0.906 68 R CB 2.564 32.718 30.300 -0.244 0.000 1.227 68 R HN -0.032 nan 8.270 nan 0.000 0.468 69 V N 3.858 123.566 119.914 -0.345 0.000 2.407 69 V HA 0.415 4.536 4.120 0.000 0.000 0.291 69 V C -0.331 175.508 176.094 -0.425 0.000 1.018 69 V CA -0.629 61.443 62.300 -0.379 0.000 0.842 69 V CB 1.445 33.070 31.823 -0.330 0.000 0.996 69 V HN 0.493 nan 8.190 nan 0.000 0.426 70 L N 3.618 124.437 121.223 -0.673 0.000 2.358 70 L HA 0.911 5.252 4.340 0.000 0.000 0.268 70 L C 0.677 177.294 176.870 -0.421 0.000 1.032 70 L CA -0.509 53.890 54.840 -0.736 0.000 0.805 70 L CB 1.624 42.819 42.059 -1.439 0.000 1.253 70 L HN 0.706 nan 8.230 nan 0.000 0.452 71 G N 0.004 108.703 108.800 -0.169 0.000 2.723 71 G HA2 0.359 4.320 3.960 0.000 0.000 0.295 71 G HA3 0.359 4.320 3.960 0.000 0.000 0.295 71 G C -2.229 172.815 174.900 0.242 0.000 1.464 71 G CA -0.345 44.820 45.100 0.108 0.000 1.012 71 G HN 0.568 nan 8.290 nan 0.000 0.522 72 W N 5.455 126.900 121.300 0.242 0.000 2.331 72 W HA 0.634 5.294 4.660 0.001 0.000 0.306 72 W C 0.022 176.613 176.519 0.120 0.000 1.162 72 W CA -0.950 56.517 57.345 0.204 0.000 1.232 72 W CB 0.881 30.455 29.460 0.190 0.000 1.235 72 W HN 0.259 nan 8.180 nan 0.000 0.479 73 R N 4.382 124.509 120.500 -0.622 0.000 2.500 73 R HA 0.131 4.471 4.340 0.000 0.000 0.277 73 R C 0.996 176.535 176.300 -1.268 0.000 1.026 73 R CA -0.577 55.130 56.100 -0.655 0.000 1.058 73 R CB 0.731 30.807 30.300 -0.375 0.000 1.078 73 R HN 0.687 nan 8.270 nan 0.000 0.509 74 E N 0.933 120.676 120.200 -0.762 0.000 2.333 74 E HA -0.177 4.173 4.350 0.000 0.000 0.198 74 E C 0.476 176.856 176.600 -0.367 0.000 1.007 74 E CA 1.273 57.315 56.400 -0.596 0.000 0.845 74 E CB 0.167 29.817 29.700 -0.084 0.000 0.766 74 E HN 0.531 nan 8.360 nan 0.000 0.507 75 D N -0.885 119.319 120.400 -0.326 0.000 2.328 75 D HA 0.006 4.646 4.640 0.000 0.000 0.226 75 D C 1.276 177.504 176.300 -0.121 0.000 1.066 75 D CA 0.723 54.633 54.000 -0.150 0.000 0.861 75 D CB 0.413 41.149 40.800 -0.107 0.000 0.912 75 D HN 0.198 nan 8.370 nan 0.000 0.521 76 G N -0.224 108.418 108.800 -0.262 0.000 2.217 76 G HA2 -0.263 3.697 3.960 0.000 0.000 0.246 76 G HA3 -0.263 3.697 3.960 0.000 0.000 0.246 76 G C 0.507 175.389 174.900 -0.029 0.000 0.990 76 G CA 0.255 45.352 45.100 -0.005 0.000 0.627 76 G HN 0.459 nan 8.290 nan 0.000 0.522 77 T N 0.875 115.341 114.554 -0.147 0.000 2.930 77 T HA 0.463 4.813 4.350 0.000 0.000 0.306 77 T C 0.166 174.841 174.700 -0.042 0.000 1.045 77 T CA 0.463 62.527 62.100 -0.059 0.000 1.134 77 T CB 2.166 70.983 68.868 -0.085 0.000 0.961 77 T HN 0.608 nan 8.240 nan 0.000 0.545 78 V N 4.335 124.287 119.914 0.065 0.000 2.443 78 V HA 0.367 4.487 4.120 0.000 0.000 0.293 78 V C -0.464 175.619 176.094 -0.018 0.000 1.021 78 V CA -0.888 61.453 62.300 0.069 0.000 0.848 78 V CB 1.894 33.774 31.823 0.094 0.000 0.998 78 V HN 0.858 nan 8.190 nan 0.000 0.424 79 D N 2.621 122.988 120.400 -0.055 0.000 2.299 79 D HA 0.495 5.135 4.640 0.000 0.000 0.243 79 D C -0.578 175.643 176.300 -0.133 0.000 0.982 79 D CA -0.379 53.576 54.000 -0.074 0.000 0.924 79 D CB 2.897 43.664 40.800 -0.055 0.000 1.238 79 D HN 0.232 nan 8.370 nan 0.000 0.484 80 V N 2.441 122.281 119.914 -0.124 0.000 2.408 80 V HA 0.097 4.217 4.120 0.000 0.000 0.267 80 V C 1.422 177.440 176.094 -0.128 0.000 1.047 80 V CA -0.071 62.132 62.300 -0.161 0.000 0.937 80 V CB 0.847 32.589 31.823 -0.135 0.000 0.999 80 V HN 0.423 nan 8.190 nan 0.000 0.472 81 L N 5.057 126.192 121.223 -0.146 0.000 2.168 81 L HA 0.267 4.607 4.340 0.000 0.000 0.203 81 L C 0.262 177.056 176.870 -0.128 0.000 1.078 81 L CA 0.980 55.763 54.840 -0.096 0.000 0.780 81 L CB 0.043 42.059 42.059 -0.072 0.000 0.939 81 L HN 0.397 nan 8.230 nan 0.000 0.451 82 L N -0.218 120.893 121.223 -0.187 0.000 2.409 82 L HA 0.420 4.760 4.340 0.000 0.000 0.272 82 L C -1.481 175.262 176.870 -0.211 0.000 0.980 82 L CA -0.580 54.135 54.840 -0.208 0.000 0.826 82 L CB 2.355 44.242 42.059 -0.286 0.000 1.268 82 L HN -0.127 nan 8.230 nan 0.000 0.407 83 D N 2.015 122.308 120.400 -0.179 0.000 2.269 83 D HA 0.655 5.295 4.640 0.000 0.000 0.244 83 D C 0.240 176.433 176.300 -0.177 0.000 0.992 83 D CA 0.368 54.266 54.000 -0.169 0.000 0.894 83 D CB 2.040 42.763 40.800 -0.130 0.000 1.248 83 D HN 0.748 nan 8.370 nan 0.000 0.468 84 A N 1.648 124.356 122.820 -0.187 0.000 2.610 84 A HA -0.113 4.208 4.320 0.000 0.000 0.299 84 A C 0.614 178.053 177.584 -0.242 0.000 1.487 84 A CA 1.224 53.140 52.037 -0.203 0.000 0.743 84 A CB -2.699 16.210 19.000 -0.151 0.000 1.070 84 A HN 0.709 nan 8.150 nan 0.000 0.439 85 T N -2.617 111.763 114.554 -0.290 0.000 2.766 85 T HA 0.599 4.949 4.350 0.000 0.000 0.295 85 T C 0.786 175.268 174.700 -0.363 0.000 1.024 85 T CA 0.057 61.977 62.100 -0.300 0.000 1.018 85 T CB 1.572 70.254 68.868 -0.309 0.000 1.002 85 T HN 1.907 nan 8.240 nan 0.000 0.532 86 A N 1.240 123.915 122.820 -0.242 0.000 3.135 86 A HA 0.513 4.834 4.320 0.000 0.000 0.253 86 A C 0.204 177.797 177.584 0.015 0.000 1.638 86 A CA -0.922 51.039 52.037 -0.126 0.000 1.295 86 A CB -1.714 17.276 19.000 -0.016 0.000 1.106 86 A HN 0.923 nan 8.150 nan 0.000 0.648 87 F N -0.835 119.055 119.950 -0.101 0.000 2.905 87 F HA -0.188 4.339 4.527 0.001 0.000 0.291 87 F C 0.776 176.462 175.800 -0.191 0.000 1.002 87 F CA 0.829 58.754 58.000 -0.126 0.000 0.978 87 F CB -2.445 36.519 39.000 -0.059 0.000 1.036 87 F HN 0.320 nan 8.300 nan 0.000 0.820 88 T N 0.313 114.793 114.554 -0.123 0.000 2.888 88 T HA 0.116 4.466 4.350 0.000 0.000 0.301 88 T C 1.009 175.614 174.700 -0.158 0.000 1.001 88 T CA 0.402 62.413 62.100 -0.149 0.000 1.147 88 T CB 1.619 70.347 68.868 -0.234 0.000 0.931 88 T HN 0.649 nan 8.240 nan 0.000 0.541 89 N N 1.508 120.115 118.700 -0.156 0.000 2.528 89 N HA 0.299 5.040 4.740 0.000 0.000 0.208 89 N C 1.028 176.535 175.510 -0.005 0.000 1.218 89 N CA -0.327 52.642 53.050 -0.134 0.000 1.112 89 N CB 0.278 38.602 38.487 -0.271 0.000 1.423 89 N HN 0.645 nan 8.380 nan 0.000 0.497 90 G N 0.324 109.144 108.800 0.033 0.000 2.544 90 G HA2 0.215 4.175 3.960 0.000 0.000 0.242 90 G HA3 0.215 4.175 3.960 0.000 0.000 0.242 90 G C -0.907 174.030 174.900 0.061 0.000 1.247 90 G CA -0.113 45.024 45.100 0.062 0.000 0.840 90 G HN 0.507 nan 8.290 nan 0.000 0.578 91 N N -0.621 118.113 118.700 0.056 0.000 2.262 91 N HA 0.716 5.456 4.740 0.000 0.000 0.295 91 N C -0.498 175.001 175.510 -0.019 0.000 1.161 91 N CA -0.221 52.844 53.050 0.026 0.000 0.767 91 N CB 2.402 40.919 38.487 0.051 0.000 1.499 91 N HN 0.813 nan 8.380 nan 0.000 0.476 92 A N 0.243 123.001 122.820 -0.102 0.000 2.599 92 A HA 0.699 5.019 4.320 0.000 0.000 0.290 92 A C -1.592 175.903 177.584 -0.148 0.000 1.101 92 A CA -0.494 51.503 52.037 -0.066 0.000 0.674 92 A CB 1.150 20.142 19.000 -0.013 0.000 1.277 92 A HN 0.263 nan 8.150 nan 0.000 0.419 93 V N 2.212 122.081 119.914 -0.074 0.000 2.588 93 V HA 0.486 4.606 4.120 0.000 0.000 0.304 93 V C -0.588 175.499 176.094 -0.012 0.000 1.042 93 V CA -0.534 61.708 62.300 -0.097 0.000 0.877 93 V CB 1.632 33.434 31.823 -0.036 0.000 0.996 93 V HN 1.109 nan 8.190 nan 0.000 0.425 94 D N 4.147 124.533 120.400 -0.023 0.000 2.478 94 D HA 0.431 5.072 4.640 0.000 0.000 0.269 94 D C 1.256 177.590 176.300 0.056 0.000 1.232 94 D CA 0.019 54.034 54.000 0.025 0.000 1.059 94 D CB 1.095 41.901 40.800 0.010 0.000 1.104 94 D HN 0.481 nan 8.370 nan 0.000 0.566 95 A N -0.877 121.980 122.820 0.062 0.000 2.019 95 A HA -0.173 4.148 4.320 0.000 0.000 0.219 95 A C 1.730 179.355 177.584 0.069 0.000 1.164 95 A CA 1.297 53.375 52.037 0.068 0.000 0.644 95 A CB -0.681 18.356 19.000 0.063 0.000 0.805 95 A HN 0.458 nan 8.150 nan 0.000 0.449 96 Q N -0.389 119.448 119.800 0.062 0.000 2.247 96 Q HA 0.162 4.502 4.340 0.000 0.000 0.205 96 Q C -0.132 175.925 176.000 0.096 0.000 0.896 96 Q CA 0.076 55.919 55.803 0.066 0.000 0.950 96 Q CB 0.254 29.023 28.738 0.052 0.000 1.054 96 Q HN 0.480 nan 8.270 nan 0.000 0.482 97 Q N -0.674 119.198 119.800 0.119 0.000 2.481 97 Q HA -0.238 4.102 4.340 0.000 0.000 0.272 97 Q C -0.884 175.265 176.000 0.247 0.000 1.157 97 Q CA 0.864 56.798 55.803 0.218 0.000 0.935 97 Q CB -1.363 27.523 28.738 0.245 0.000 1.338 97 Q HN 0.437 nan 8.270 nan 0.000 0.494 98 R N -0.341 120.193 120.500 0.056 0.000 2.598 98 R HA 0.653 4.994 4.340 0.000 0.000 0.279 98 R C 0.427 176.564 176.300 -0.270 0.000 0.984 98 R CA -0.667 55.401 56.100 -0.052 0.000 0.999 98 R CB 0.950 31.232 30.300 -0.031 0.000 1.114 98 R HN 0.058 nan 8.270 nan 0.000 0.493 99 L N 2.964 123.911 121.223 -0.459 0.000 2.305 99 L HA 0.413 4.754 4.340 0.000 0.000 0.281 99 L C -0.128 176.333 176.870 -0.682 0.000 1.085 99 L CA -0.832 53.626 54.840 -0.636 0.000 0.813 99 L CB 1.085 42.700 42.059 -0.740 0.000 1.157 99 L HN 0.402 nan 8.230 nan 0.000 0.436 100 V N -0.519 118.993 119.914 -0.671 0.000 2.715 100 V HA 0.649 4.769 4.120 0.000 0.000 0.310 100 V C -0.533 175.124 176.094 -0.728 0.000 1.054 100 V CA -0.633 61.315 62.300 -0.587 0.000 0.928 100 V CB 1.856 33.528 31.823 -0.251 0.000 1.007 100 V HN 0.672 nan 8.190 nan 0.000 0.437 101 H N 0.831 119.826 119.070 -0.125 0.000 2.928 101 H HA 0.566 5.122 4.556 0.000 0.000 0.371 101 H C -1.371 173.881 175.328 -0.128 0.000 1.186 101 H CA -0.621 55.354 56.048 -0.122 0.000 1.134 101 H CB 2.010 31.691 29.762 -0.135 0.000 1.824 101 H HN 0.843 nan 8.280 nan 0.000 0.554 102 C N 1.680 121.001 119.300 0.036 0.000 2.281 102 C HA 0.297 4.758 4.460 0.000 0.000 0.325 102 C C 0.267 175.260 174.990 0.004 0.000 1.282 102 C CA -0.471 58.535 59.018 -0.020 0.000 1.640 102 C CB -0.168 27.588 27.740 0.027 0.000 2.288 102 C HN 0.642 nan 8.230 nan 0.000 0.507 103 E N 1.790 121.993 120.200 0.006 0.000 2.155 103 E HA 0.209 4.559 4.350 0.000 0.000 0.264 103 E C 0.290 176.976 176.600 0.143 0.000 0.886 103 E CA -0.397 56.024 56.400 0.035 0.000 0.752 103 E CB 1.194 30.892 29.700 -0.002 0.000 1.133 103 E HN 0.751 nan 8.360 nan 0.000 0.414 104 H N 2.369 121.471 119.070 0.053 0.000 2.357 104 H HA -0.110 4.447 4.556 0.001 0.000 0.301 104 H C 2.080 177.423 175.328 0.025 0.000 1.082 104 H CA 0.830 56.894 56.048 0.026 0.000 1.342 104 H CB 0.406 30.168 29.762 0.000 0.000 1.389 104 H HN 0.686 nan 8.280 nan 0.000 0.511 105 G N 0.735 109.701 108.800 0.276 0.000 2.433 105 G HA2 -0.244 3.716 3.960 0.000 0.000 0.216 105 G HA3 -0.244 3.716 3.960 0.000 0.000 0.216 105 G C 1.629 176.591 174.900 0.103 0.000 1.186 105 G CA 0.393 45.633 45.100 0.232 0.000 0.779 105 G HN 0.310 nan 8.290 nan 0.000 0.543 106 R N -0.473 120.070 120.500 0.072 0.000 2.297 106 R HA 0.248 4.588 4.340 0.000 0.000 0.197 106 R C 0.423 176.726 176.300 0.004 0.000 0.943 106 R CA -0.209 55.905 56.100 0.023 0.000 1.038 106 R CB 0.103 30.404 30.300 0.002 0.000 0.957 106 R HN 0.185 nan 8.270 nan 0.000 0.484 107 R N -0.155 120.354 120.500 0.015 0.000 3.205 107 R HA -0.228 4.112 4.340 0.000 0.000 0.249 107 R C -0.882 175.393 176.300 -0.043 0.000 0.937 107 R CA 0.495 56.590 56.100 -0.008 0.000 0.641 107 R CB -1.618 28.668 30.300 -0.024 0.000 1.114 107 R HN 0.380 nan 8.270 nan 0.000 0.451 108 A N 0.066 122.846 122.820 -0.067 0.000 2.536 108 A HA 0.723 5.043 4.320 0.000 0.000 0.293 108 A C -1.228 176.231 177.584 -0.208 0.000 1.119 108 A CA -0.917 51.037 52.037 -0.139 0.000 0.654 108 A CB 1.158 20.104 19.000 -0.090 0.000 1.291 108 A HN 0.089 nan 8.150 nan 0.000 0.439 109 I N 1.882 122.280 120.570 -0.285 0.000 2.359 109 I HA 0.584 4.754 4.170 0.000 0.000 0.294 109 I C 0.648 176.682 176.117 -0.137 0.000 0.987 109 I CA 0.151 61.276 61.300 -0.292 0.000 1.225 109 I CB 0.853 38.590 38.000 -0.437 0.000 1.366 109 I HN 0.898 nan 8.210 nan 0.000 0.466 110 T N 3.960 118.472 114.554 -0.071 0.000 2.887 110 T HA 0.763 5.113 4.350 0.000 0.000 0.292 110 T C -0.516 174.174 174.700 -0.017 0.000 1.087 110 T CA -0.999 61.096 62.100 -0.009 0.000 1.009 110 T CB 2.833 71.718 68.868 0.029 0.000 1.203 110 T HN 0.643 nan 8.240 nan 0.000 0.518 111 R N 0.447 120.951 120.500 0.005 0.000 2.564 111 R HA 0.600 4.940 4.340 0.000 0.000 0.284 111 R C -1.185 175.104 176.300 -0.018 0.000 1.031 111 R CA -0.441 55.623 56.100 -0.061 0.000 0.904 111 R CB 2.022 32.296 30.300 -0.043 0.000 1.199 111 R HN 0.774 nan 8.270 nan 0.000 0.443 112 S N 2.282 117.957 115.700 -0.041 0.000 2.585 112 S HA 0.195 4.665 4.470 0.000 0.000 0.277 112 S C -0.523 174.061 174.600 -0.026 0.000 1.241 112 S CA -0.762 57.418 58.200 -0.033 0.000 1.041 112 S CB 1.284 64.516 63.200 0.054 0.000 0.987 112 S HN 0.689 nan 8.310 nan 0.000 0.512 113 D N 1.227 121.620 120.400 -0.012 0.000 2.530 113 D HA 0.577 5.217 4.640 0.000 0.000 0.282 113 D C 1.070 177.405 176.300 0.059 0.000 1.204 113 D CA -0.533 53.499 54.000 0.052 0.000 1.093 113 D CB -0.161 40.699 40.800 0.100 0.000 1.154 113 D HN 0.382 nan 8.370 nan 0.000 0.593 114 A N -0.876 121.989 122.820 0.074 0.000 2.016 114 A HA -0.082 4.238 4.320 0.000 0.000 0.217 114 A C 1.504 179.120 177.584 0.053 0.000 1.162 114 A CA 1.005 53.092 52.037 0.084 0.000 0.662 114 A CB -0.638 18.401 19.000 0.065 0.000 0.812 114 A HN 0.525 nan 8.150 nan 0.000 0.450 115 D N -0.531 119.888 120.400 0.031 0.000 2.363 115 D HA 0.137 4.777 4.640 0.000 0.000 0.226 115 D C 1.190 177.479 176.300 -0.018 0.000 1.020 115 D CA 1.120 55.124 54.000 0.007 0.000 0.892 115 D CB -0.064 40.741 40.800 0.008 0.000 0.900 115 D HN 0.585 nan 8.370 nan 0.000 0.531 116 G N 1.863 110.649 108.800 -0.023 0.000 2.212 116 G HA2 -0.289 3.671 3.960 0.000 0.000 0.255 116 G HA3 -0.289 3.671 3.960 0.000 0.000 0.255 116 G C 0.094 174.924 174.900 -0.118 0.000 1.062 116 G CA -0.013 45.050 45.100 -0.060 0.000 0.815 116 G HN 0.312 nan 8.290 nan 0.000 0.497 117 Q N 0.029 119.735 119.800 -0.157 0.000 2.348 117 Q HA 0.721 5.061 4.340 0.000 0.000 0.265 117 Q C 0.150 175.876 176.000 -0.455 0.000 0.998 117 Q CA 0.230 55.861 55.803 -0.287 0.000 0.831 117 Q CB 1.316 29.882 28.738 -0.286 0.000 1.251 117 Q HN 1.051 nan 8.270 nan 0.000 0.456 118 A N 5.225 127.831 122.820 -0.356 0.000 2.343 118 A HA 0.377 4.697 4.320 0.000 0.000 0.305 118 A C -0.911 176.502 177.584 -0.285 0.000 1.308 118 A CA -0.429 51.455 52.037 -0.256 0.000 0.949 118 A CB 0.020 18.925 19.000 -0.158 0.000 1.148 118 A HN 0.759 nan 8.150 nan 0.000 0.545 119 H N 2.275 121.341 119.070 -0.007 0.000 2.487 119 H HA 0.178 4.735 4.556 0.000 0.000 0.333 119 H C 0.127 175.441 175.328 -0.023 0.000 1.114 119 H CA -0.611 55.426 56.048 -0.018 0.000 1.310 119 H CB 1.457 31.207 29.762 -0.018 0.000 1.462 119 H HN 0.504 nan 8.280 nan 0.000 0.516 120 L N 3.817 125.101 121.223 0.101 0.000 2.499 120 L HA -0.062 4.278 4.340 0.000 0.000 0.273 120 L C 0.624 177.504 176.870 0.017 0.000 1.195 120 L CA 0.588 55.445 54.840 0.029 0.000 0.882 120 L CB 0.052 42.120 42.059 0.014 0.000 1.133 120 L HN 0.692 nan 8.230 nan 0.000 0.483 121 L N 5.218 126.430 121.223 -0.018 0.000 2.526 121 L HA 0.278 4.619 4.340 0.000 0.000 0.210 121 L C 0.023 176.873 176.870 -0.033 0.000 1.048 121 L CA 0.229 55.055 54.840 -0.023 0.000 0.852 121 L CB 0.737 42.774 42.059 -0.037 0.000 1.128 121 L HN 0.467 nan 8.230 nan 0.000 0.482 122 V N -0.873 119.006 119.914 -0.060 0.000 2.966 122 V HA 0.571 4.691 4.120 0.000 0.000 0.288 122 V C -0.478 175.567 176.094 -0.081 0.000 1.380 122 V CA -0.094 62.174 62.300 -0.053 0.000 0.966 122 V CB 1.856 33.664 31.823 -0.025 0.000 1.115 122 V HN 0.127 nan 8.190 nan 0.000 0.436 123 G N 5.254 114.022 108.800 -0.054 0.000 3.581 123 G HA2 0.418 4.379 3.960 0.000 0.000 0.248 123 G HA3 0.418 4.379 3.960 0.000 0.000 0.248 123 G C 0.140 175.018 174.900 -0.037 0.000 1.037 123 G CA -0.219 44.848 45.100 -0.055 0.000 0.902 123 G HN 0.582 nan 8.290 nan 0.000 0.512 124 R N -0.776 119.708 120.500 -0.027 0.000 2.740 124 R HA 0.519 4.859 4.340 0.000 0.000 0.273 124 R C -2.082 174.228 176.300 0.017 0.000 0.998 124 R CA -0.873 55.220 56.100 -0.012 0.000 0.900 124 R CB 2.201 32.486 30.300 -0.025 0.000 1.223 124 R HN 0.081 nan 8.270 nan 0.000 0.466 125 Y N 0.691 120.947 120.300 -0.074 0.000 2.331 125 Y HA 0.434 4.984 4.550 0.000 0.000 0.334 125 Y C -0.007 175.907 175.900 0.023 0.000 0.960 125 Y CA -0.310 57.763 58.100 -0.046 0.000 1.130 125 Y CB 1.680 40.124 38.460 -0.026 0.000 1.164 125 Y HN 0.913 nan 8.280 nan 0.000 0.458 126 A N 4.072 126.442 122.820 -0.750 0.000 2.783 126 A HA -0.015 4.306 4.320 0.000 0.000 0.292 126 A C 1.657 179.094 177.584 -0.245 0.000 1.495 126 A CA 1.677 53.374 52.037 -0.566 0.000 0.787 126 A CB -2.169 16.375 19.000 -0.761 0.000 1.017 126 A HN 2.538 nan 8.150 nan 0.000 0.516 127 G N -2.189 106.516 108.800 -0.158 0.000 2.179 127 G HA2 -0.268 3.692 3.960 0.000 0.000 0.260 127 G HA3 -0.268 3.692 3.960 0.000 0.000 0.260 127 G C 0.014 174.884 174.900 -0.049 0.000 0.977 127 G CA 1.088 46.138 45.100 -0.084 0.000 0.641 127 G HN 1.285 nan 8.290 nan 0.000 0.533 128 K N 0.449 120.829 120.400 -0.034 0.000 2.270 128 K HA 0.528 4.848 4.320 0.000 0.000 0.255 128 K C 0.479 177.085 176.600 0.009 0.000 0.936 128 K CA -1.016 55.270 56.287 -0.002 0.000 0.809 128 K CB 1.662 34.177 32.500 0.024 0.000 1.131 128 K HN 0.188 nan 8.250 nan 0.000 0.427 129 R N 1.847 122.344 120.500 -0.005 0.000 2.640 129 R HA 0.043 4.383 4.340 0.000 0.000 0.270 129 R C 0.355 176.651 176.300 -0.008 0.000 1.024 129 R CA -0.353 55.740 56.100 -0.011 0.000 1.085 129 R CB 0.136 30.424 30.300 -0.020 0.000 0.963 129 R HN 0.267 nan 8.270 nan 0.000 0.426 130 L N 2.588 123.803 121.223 -0.013 0.000 2.476 130 L HA -0.057 4.283 4.340 0.000 0.000 0.264 130 L C 1.648 178.503 176.870 -0.025 0.000 1.224 130 L CA 0.393 55.227 54.840 -0.008 0.000 0.821 130 L CB 0.202 42.259 42.059 -0.004 0.000 1.101 130 L HN 0.663 nan 8.230 nan 0.000 0.488 131 N N 0.880 119.563 118.700 -0.030 0.000 2.051 131 N HA -0.092 4.648 4.740 0.000 0.000 0.192 131 N C 0.148 175.599 175.510 -0.099 0.000 1.049 131 N CA 1.388 54.384 53.050 -0.090 0.000 0.845 131 N CB 0.047 38.440 38.487 -0.157 0.000 1.031 131 N HN 0.645 nan 8.380 nan 0.000 0.425 132 S N -1.269 114.389 115.700 -0.072 0.000 2.508 132 S HA 0.236 4.706 4.470 0.000 0.000 0.182 132 S C -3.236 171.392 174.600 0.047 0.000 0.683 132 S CA -1.231 56.925 58.200 -0.073 0.000 0.912 132 S CB 1.094 64.124 63.200 -0.283 0.000 1.441 132 S HN -0.141 nan 8.310 nan 0.000 0.414 133 P HA 0.059 nan 4.420 nan 0.000 0.261 133 P C 0.395 177.848 177.300 0.256 0.000 1.165 133 P CA 0.382 63.584 63.100 0.171 0.000 0.759 133 P CB 0.402 32.053 31.700 -0.082 0.000 0.772 134 N N 2.243 121.117 118.700 0.290 0.000 2.591 134 N HA -0.003 4.737 4.740 0.000 0.000 0.200 134 N C -0.211 175.430 175.510 0.219 0.000 1.040 134 N CA 0.778 54.020 53.050 0.319 0.000 0.911 134 N CB 0.482 39.182 38.487 0.355 0.000 1.259 134 N HN 0.336 nan 8.380 nan 0.000 0.438 135 D N -0.012 120.512 120.400 0.207 0.000 2.581 135 D HA 0.454 5.094 4.640 0.000 0.000 0.232 135 D C -0.886 175.519 176.300 0.176 0.000 1.143 135 D CA -0.452 53.633 54.000 0.141 0.000 0.881 135 D CB 2.124 42.974 40.800 0.084 0.000 1.500 135 D HN 0.225 nan 8.370 nan 0.000 0.458 136 L N -0.315 120.986 121.223 0.131 0.000 2.479 136 L HA 0.789 5.129 4.340 0.000 0.000 0.255 136 L C -1.240 175.705 176.870 0.124 0.000 1.026 136 L CA -0.962 53.986 54.840 0.180 0.000 0.842 136 L CB 2.187 44.345 42.059 0.165 0.000 1.444 136 L HN 0.520 nan 8.230 nan 0.000 0.409 137 I N -0.766 119.908 120.570 0.173 0.000 3.095 137 I HA 0.781 4.951 4.170 0.000 0.000 0.310 137 I C -1.376 174.875 176.117 0.225 0.000 1.196 137 I CA -1.139 60.254 61.300 0.156 0.000 0.985 137 I CB 2.352 40.426 38.000 0.123 0.000 1.250 137 I HN 0.383 nan 8.210 nan 0.000 0.446 138 V N 2.822 122.854 119.914 0.197 0.000 2.409 138 V HA 0.708 4.829 4.120 0.000 0.000 0.291 138 V C 0.688 176.916 176.094 0.222 0.000 1.020 138 V CA -0.413 62.015 62.300 0.214 0.000 0.848 138 V CB 1.161 33.062 31.823 0.131 0.000 0.990 138 V HN 0.973 nan 8.190 nan 0.000 0.430 139 A N 4.811 127.805 122.820 0.291 0.000 2.346 139 A HA 0.426 4.746 4.320 0.000 0.000 0.252 139 A C 1.288 178.934 177.584 0.104 0.000 1.089 139 A CA -0.183 51.952 52.037 0.162 0.000 0.797 139 A CB 0.210 19.341 19.000 0.219 0.000 1.047 139 A HN 0.864 nan 8.150 nan 0.000 0.494 140 R N -0.176 120.338 120.500 0.024 0.000 2.193 140 R HA -0.135 4.206 4.340 0.000 0.000 0.229 140 R C 0.595 176.938 176.300 0.070 0.000 1.110 140 R CA 1.537 57.661 56.100 0.041 0.000 0.988 140 R CB -0.094 30.211 30.300 0.008 0.000 0.871 140 R HN 0.901 nan 8.270 nan 0.000 0.458 141 D N -1.388 119.072 120.400 0.101 0.000 2.340 141 D HA 0.022 4.662 4.640 0.000 0.000 0.220 141 D C 1.136 177.506 176.300 0.117 0.000 1.039 141 D CA 0.861 54.929 54.000 0.113 0.000 0.866 141 D CB 0.290 41.179 40.800 0.148 0.000 0.913 141 D HN 0.254 nan 8.370 nan 0.000 0.523 142 G N -0.280 108.595 108.800 0.124 0.000 2.217 142 G HA2 -0.192 3.768 3.960 0.000 0.000 0.246 142 G HA3 -0.192 3.768 3.960 0.000 0.000 0.246 142 G C 0.551 175.531 174.900 0.132 0.000 0.990 142 G CA 0.166 45.334 45.100 0.113 0.000 0.627 142 G HN 0.835 nan 8.290 nan 0.000 0.522 143 A N 0.230 123.156 122.820 0.176 0.000 2.462 143 A HA 0.637 4.957 4.320 0.000 0.000 0.243 143 A C 0.450 178.172 177.584 0.230 0.000 1.076 143 A CA 0.269 52.401 52.037 0.157 0.000 0.773 143 A CB 0.207 19.298 19.000 0.152 0.000 1.010 143 A HN 0.791 nan 8.150 nan 0.000 0.493 144 I N 1.668 122.326 120.570 0.148 0.000 2.321 144 I HA 0.232 4.402 4.170 0.000 0.000 0.291 144 I C -0.856 175.407 176.117 0.243 0.000 0.998 144 I CA -0.131 61.307 61.300 0.231 0.000 1.227 144 I CB 0.957 39.059 38.000 0.169 0.000 1.368 144 I HN 0.683 nan 8.210 nan 0.000 0.466 145 W N 7.798 129.186 121.300 0.146 0.000 2.551 145 W HA 0.600 5.260 4.660 0.000 0.000 0.330 145 W C -0.397 176.225 176.519 0.171 0.000 1.063 145 W CA -0.437 56.937 57.345 0.047 0.000 1.222 145 W CB 1.293 30.694 29.460 -0.098 0.000 1.349 145 W HN 0.278 nan 8.180 nan 0.000 0.536 146 F N -0.465 119.600 119.950 0.193 0.000 2.713 146 F HA 0.767 5.295 4.527 0.001 0.000 0.311 146 F C -0.453 175.439 175.800 0.153 0.000 1.141 146 F CA -1.497 56.590 58.000 0.145 0.000 0.939 146 F CB 0.795 39.861 39.000 0.110 0.000 1.325 146 F HN 0.189 nan 8.300 nan 0.000 0.453 147 T N -1.417 113.339 114.554 0.337 0.000 2.902 147 T HA 0.479 4.830 4.350 0.000 0.000 0.283 147 T C -1.081 173.828 174.700 0.347 0.000 1.009 147 T CA -0.414 61.821 62.100 0.225 0.000 1.051 147 T CB 1.639 70.624 68.868 0.195 0.000 0.999 147 T HN 0.740 nan 8.240 nan 0.000 0.474 148 D N 2.926 123.471 120.400 0.242 0.000 2.749 148 D HA 0.348 4.988 4.640 0.000 0.000 0.338 148 D C -2.337 173.959 176.300 -0.007 0.000 1.236 148 D CA -1.945 52.190 54.000 0.225 0.000 0.845 148 D CB 0.645 41.677 40.800 0.386 0.000 1.080 148 D HN 0.342 nan 8.370 nan 0.000 0.497 149 P HA 0.259 nan 4.420 nan 0.000 0.276 149 P C -2.309 174.660 177.300 -0.551 0.000 1.261 149 P CA -1.283 61.545 63.100 -0.453 0.000 0.800 149 P CB 1.083 32.631 31.700 -0.253 0.000 1.066 150 P HA 0.104 nan 4.420 nan 0.000 0.256 150 P C 0.991 178.058 177.300 -0.389 0.000 1.384 150 P CA -0.041 62.728 63.100 -0.553 0.000 0.879 150 P CB -0.342 31.026 31.700 -0.552 0.000 1.403 151 F N 1.495 121.334 119.950 -0.185 0.000 2.126 151 F HA -0.039 4.488 4.527 0.001 0.000 0.299 151 F C 2.586 178.182 175.800 -0.339 0.000 1.096 151 F CA 1.971 59.870 58.000 -0.168 0.000 1.255 151 F CB -1.789 37.170 39.000 -0.069 0.000 0.997 151 F HN 0.063 nan 8.300 nan 0.000 0.479 152 G N -0.634 107.879 108.800 -0.479 0.000 2.776 152 G HA2 -0.015 3.945 3.960 0.000 0.000 0.209 152 G HA3 -0.015 3.945 3.960 0.000 0.000 0.209 152 G C 1.333 176.046 174.900 -0.310 0.000 1.145 152 G CA 0.247 44.963 45.100 -0.640 0.000 0.791 152 G HN 0.369 nan 8.290 nan 0.000 0.530 153 L N -1.124 119.964 121.223 -0.224 0.000 2.693 153 L HA 0.333 4.674 4.340 0.000 0.000 0.235 153 L C 2.020 178.822 176.870 -0.114 0.000 1.127 153 L CA 0.011 54.755 54.840 -0.160 0.000 0.914 153 L CB 0.454 42.426 42.059 -0.146 0.000 1.193 153 L HN 0.079 nan 8.230 nan 0.000 0.502 154 R N -0.181 120.263 120.500 -0.094 0.000 2.535 154 R HA 0.217 4.557 4.340 0.000 0.000 0.323 154 R C 0.082 176.355 176.300 -0.046 0.000 0.979 154 R CA -0.102 55.970 56.100 -0.048 0.000 1.120 154 R CB 0.892 31.190 30.300 -0.002 0.000 1.306 154 R HN -0.059 nan 8.270 nan 0.000 0.540 155 K N 1.148 121.493 120.400 -0.091 0.000 2.637 155 K HA 0.270 4.590 4.320 0.000 0.000 0.248 155 K C -2.434 174.065 176.600 -0.169 0.000 0.971 155 K CA -1.945 54.279 56.287 -0.105 0.000 0.858 155 K CB 1.870 34.303 32.500 -0.112 0.000 1.170 155 K HN -0.289 nan 8.250 nan 0.000 0.443 156 P HA -0.211 nan 4.420 nan 0.000 0.216 156 P C 0.878 178.059 177.300 -0.199 0.000 1.150 156 P CA 1.309 64.314 63.100 -0.158 0.000 0.843 156 P CB 0.250 31.904 31.700 -0.077 0.000 0.787 157 S N -1.660 113.957 115.700 -0.138 0.000 2.547 157 S HA -0.102 4.369 4.470 0.000 0.000 0.235 157 S C 1.375 175.888 174.600 -0.145 0.000 0.980 157 S CA 0.724 58.880 58.200 -0.074 0.000 0.941 157 S CB -0.770 62.405 63.200 -0.042 0.000 0.763 157 S HN 0.286 nan 8.310 nan 0.000 0.532 158 Q N 0.404 119.985 119.800 -0.365 0.000 2.110 158 Q HA 0.508 4.848 4.340 0.000 0.000 0.232 158 Q C 0.527 176.083 176.000 -0.740 0.000 0.810 158 Q CA -0.035 55.531 55.803 -0.395 0.000 1.083 158 Q CB 1.416 30.030 28.738 -0.208 0.000 1.193 158 Q HN 0.617 nan 8.270 nan 0.000 0.471 159 G N -0.105 107.874 108.800 -1.369 0.000 2.368 159 G HA2 0.045 4.006 3.960 0.000 0.000 0.269 159 G HA3 0.045 4.006 3.960 0.000 0.000 0.269 159 G C -1.693 172.849 174.900 -0.596 0.000 1.291 159 G CA -0.720 43.736 45.100 -1.072 0.000 0.903 159 G HN 0.079 nan 8.290 nan 0.000 0.483 160 C N 2.280 121.409 119.300 -0.285 0.000 2.301 160 C HA 0.679 5.139 4.460 0.000 0.000 0.323 160 C C -1.992 172.922 174.990 -0.128 0.000 1.265 160 C CA -0.820 58.106 59.018 -0.153 0.000 1.503 160 C CB 0.810 28.510 27.740 -0.067 0.000 2.195 160 C HN 0.535 nan 8.230 nan 0.000 0.477 161 P HA 0.387 nan 4.420 nan 0.000 0.267 161 P C -0.533 176.727 177.300 -0.067 0.000 1.200 161 P CA 0.667 63.714 63.100 -0.088 0.000 0.772 161 P CB 0.526 32.185 31.700 -0.068 0.000 0.855 162 A N 1.659 124.441 122.820 -0.064 0.000 2.581 162 A HA 0.358 4.678 4.320 0.000 0.000 0.294 162 A C -1.603 175.951 177.584 -0.049 0.000 1.035 162 A CA -0.769 51.238 52.037 -0.051 0.000 0.684 162 A CB 0.738 19.707 19.000 -0.051 0.000 1.282 162 A HN 0.398 nan 8.150 nan 0.000 0.417 163 D N 3.116 123.494 120.400 -0.036 0.000 2.308 163 D HA 0.457 5.097 4.640 0.000 0.000 0.251 163 D C -1.904 174.374 176.300 -0.037 0.000 1.127 163 D CA -0.290 53.691 54.000 -0.032 0.000 0.876 163 D CB 0.969 41.757 40.800 -0.020 0.000 1.176 163 D HN 0.428 nan 8.370 nan 0.000 0.446 164 P HA 0.076 nan 4.420 nan 0.000 0.269 164 P C 0.065 177.344 177.300 -0.035 0.000 1.215 164 P CA -0.061 63.010 63.100 -0.049 0.000 0.780 164 P CB 1.478 33.144 31.700 -0.056 0.000 0.898 165 E N 0.445 120.624 120.200 -0.036 0.000 2.276 165 E HA 0.085 4.435 4.350 0.000 0.000 0.193 165 E C 0.407 176.993 176.600 -0.024 0.000 0.983 165 E CA 0.147 56.533 56.400 -0.022 0.000 0.861 165 E CB 0.092 29.783 29.700 -0.016 0.000 0.817 165 E HN 0.416 nan 8.360 nan 0.000 0.485 166 L N 0.355 121.540 121.223 -0.062 0.000 2.357 166 L HA 0.310 4.651 4.340 0.000 0.000 0.273 166 L C 0.711 177.500 176.870 -0.134 0.000 1.080 166 L CA -0.436 54.318 54.840 -0.144 0.000 0.803 166 L CB 1.313 43.182 42.059 -0.316 0.000 1.174 166 L HN -0.037 nan 8.230 nan 0.000 0.443 167 A N 1.337 124.107 122.820 -0.083 0.000 2.415 167 A HA 0.213 4.533 4.320 0.000 0.000 0.248 167 A C -0.075 177.530 177.584 0.035 0.000 1.299 167 A CA 0.019 52.062 52.037 0.009 0.000 0.899 167 A CB -0.847 18.201 19.000 0.080 0.000 0.997 167 A HN 0.894 nan 8.150 nan 0.000 0.506 168 H N -3.940 115.140 119.070 0.016 0.000 3.012 168 H HA 0.637 5.193 4.556 0.000 0.000 0.367 168 H C -1.063 174.319 175.328 0.090 0.000 1.211 168 H CA -0.935 55.086 56.048 -0.044 0.000 1.139 168 H CB 0.427 30.148 29.762 -0.068 0.000 1.838 168 H HN 0.265 nan 8.280 nan 0.000 0.550 169 H N 1.455 120.507 119.070 -0.030 0.000 2.638 169 H HA 0.554 5.110 4.556 0.001 0.000 0.303 169 H C -0.626 174.657 175.328 -0.075 0.000 1.034 169 H CA -0.956 55.038 56.048 -0.090 0.000 1.225 169 H CB 1.164 30.819 29.762 -0.178 0.000 1.394 169 H HN 0.577 nan 8.280 nan 0.000 0.477 170 S N 1.942 117.632 115.700 -0.016 0.000 2.726 170 S HA 0.440 4.910 4.470 0.000 0.000 0.308 170 S C -0.133 174.189 174.600 -0.463 0.000 1.115 170 S CA -0.854 57.124 58.200 -0.370 0.000 0.965 170 S CB 2.257 64.939 63.200 -0.864 0.000 1.145 170 S HN 0.220 nan 8.310 nan 0.000 0.532 171 V N 2.011 121.582 119.914 -0.572 0.000 2.398 171 V HA 0.486 4.606 4.120 0.000 0.000 0.286 171 V C -1.442 174.209 176.094 -0.739 0.000 1.026 171 V CA -0.367 61.665 62.300 -0.446 0.000 0.868 171 V CB 0.495 32.145 31.823 -0.288 0.000 0.982 171 V HN 0.772 nan 8.190 nan 0.000 0.443 172 Y N 3.125 122.996 120.300 -0.715 0.000 2.562 172 Y HA 0.703 5.253 4.550 0.000 0.000 0.343 172 Y C 0.258 175.615 175.900 -0.906 0.000 1.025 172 Y CA -0.988 56.605 58.100 -0.845 0.000 1.082 172 Y CB 1.788 39.609 38.460 -1.066 0.000 1.264 172 Y HN 0.478 nan 8.280 nan 0.000 0.478 173 R N 2.423 122.504 120.500 -0.698 0.000 2.451 173 R HA 0.463 4.803 4.340 0.000 0.000 0.307 173 R C -2.020 174.038 176.300 -0.403 0.000 0.965 173 R CA -0.518 54.989 56.100 -0.989 0.000 0.865 173 R CB 0.816 30.179 30.300 -1.562 0.000 1.174 173 R HN 0.807 nan 8.270 nan 0.000 0.455 174 L N 7.391 128.498 121.223 -0.193 0.000 2.259 174 L HA 0.466 4.806 4.340 0.000 0.000 0.288 174 L C -2.225 174.624 176.870 -0.036 0.000 1.051 174 L CA -2.062 52.767 54.840 -0.017 0.000 0.824 174 L CB 1.576 43.701 42.059 0.111 0.000 1.206 174 L HN 0.554 nan 8.230 nan 0.000 0.429 175 P HA 0.039 nan 4.420 nan 0.000 0.266 175 P C -2.027 175.291 177.300 0.029 0.000 1.193 175 P CA -0.819 62.285 63.100 0.007 0.000 0.770 175 P CB 0.182 31.893 31.700 0.018 0.000 0.836 176 P HA -0.102 nan 4.420 nan 0.000 0.233 176 P C 0.358 177.680 177.300 0.037 0.000 1.167 176 P CA 1.120 64.248 63.100 0.047 0.000 0.770 176 P CB 0.083 31.821 31.700 0.063 0.000 0.837 177 D N -1.258 119.163 120.400 0.034 0.000 2.340 177 D HA 0.124 4.764 4.640 0.000 0.000 0.217 177 D C 1.414 177.726 176.300 0.019 0.000 1.081 177 D CA 0.267 54.283 54.000 0.027 0.000 0.842 177 D CB -0.655 40.163 40.800 0.029 0.000 0.934 177 D HN 0.212 nan 8.370 nan 0.000 0.511 178 G N 0.383 109.193 108.800 0.018 0.000 2.175 178 G HA2 -0.296 3.664 3.960 0.000 0.000 0.244 178 G HA3 -0.296 3.664 3.960 0.000 0.000 0.244 178 G C 0.473 175.380 174.900 0.011 0.000 0.982 178 G CA 0.376 45.483 45.100 0.012 0.000 0.641 178 G HN 0.772 nan 8.290 nan 0.000 0.527 179 S N 1.188 116.897 115.700 0.016 0.000 2.589 179 S HA 0.595 5.065 4.470 0.000 0.000 0.265 179 S C -1.486 173.124 174.600 0.017 0.000 1.342 179 S CA -0.534 57.675 58.200 0.016 0.000 1.005 179 S CB 1.107 64.320 63.200 0.021 0.000 0.909 179 S HN 0.437 nan 8.310 nan 0.000 0.555 180 P HA 0.007 nan 4.420 nan 0.000 0.265 180 P C 0.049 177.380 177.300 0.053 0.000 1.187 180 P CA -0.285 62.829 63.100 0.024 0.000 0.766 180 P CB 0.292 31.999 31.700 0.011 0.000 0.820 181 L N 2.732 124.004 121.223 0.082 0.000 2.525 181 L HA -0.068 4.272 4.340 0.000 0.000 0.278 181 L C 0.751 177.745 176.870 0.207 0.000 1.218 181 L CA 0.664 55.580 54.840 0.128 0.000 0.878 181 L CB 0.063 42.223 42.059 0.170 0.000 1.127 181 L HN 0.451 nan 8.230 nan 0.000 0.492 182 Q N 4.942 124.798 119.800 0.093 0.000 2.333 182 Q HA 0.317 4.658 4.340 0.000 0.000 0.265 182 Q C -0.639 175.329 176.000 -0.054 0.000 0.989 182 Q CA -0.551 55.281 55.803 0.049 0.000 0.842 182 Q CB 1.942 30.636 28.738 -0.073 0.000 1.262 182 Q HN 0.441 nan 8.270 nan 0.000 0.451 183 R N 3.392 123.825 120.500 -0.111 0.000 2.291 183 R HA 0.117 4.458 4.340 0.000 0.000 0.333 183 R C 0.450 176.508 176.300 -0.403 0.000 1.082 183 R CA 0.003 55.805 56.100 -0.496 0.000 0.948 183 R CB 0.443 30.384 30.300 -0.599 0.000 1.009 183 R HN 0.687 nan 8.270 nan 0.000 0.460 184 M N 2.310 121.616 119.600 -0.491 0.000 2.466 184 M HA 0.244 4.724 4.480 0.000 0.000 0.265 184 M C 0.201 176.282 176.300 -0.364 0.000 1.122 184 M CA 0.630 55.719 55.300 -0.351 0.000 1.157 184 M CB 0.112 32.521 32.600 -0.318 0.000 1.352 184 M HN 0.625 nan 8.290 nan 0.000 0.464 185 A N -0.049 122.504 122.820 -0.446 0.000 2.599 185 A HA 0.526 4.847 4.320 0.000 0.000 0.294 185 A C -1.731 175.661 177.584 -0.320 0.000 1.055 185 A CA -0.904 50.911 52.037 -0.369 0.000 0.683 185 A CB 0.938 19.625 19.000 -0.522 0.000 1.278 185 A HN 0.131 nan 8.150 nan 0.000 0.412 186 D N 0.629 120.913 120.400 -0.193 0.000 2.193 186 D HA 0.734 5.374 4.640 0.000 0.000 0.244 186 D C -0.422 175.860 176.300 -0.030 0.000 1.064 186 D CA 0.190 54.113 54.000 -0.129 0.000 0.845 186 D CB 1.577 42.306 40.800 -0.118 0.000 1.148 186 D HN 0.362 nan 8.370 nan 0.000 0.464 187 L N 0.703 121.926 121.223 -0.000 0.000 2.194 187 L HA 0.420 4.760 4.340 0.000 0.000 0.248 187 L C -0.288 176.610 176.870 0.046 0.000 1.071 187 L CA -0.850 54.030 54.840 0.067 0.000 0.901 187 L CB 1.100 43.237 42.059 0.129 0.000 1.497 187 L HN 0.104 nan 8.230 nan 0.000 0.442 188 D N -0.054 120.414 120.400 0.113 0.000 2.473 188 D HA 0.221 4.862 4.640 0.000 0.000 0.226 188 D C -0.560 175.939 176.300 0.332 0.000 1.089 188 D CA -0.045 54.048 54.000 0.156 0.000 0.883 188 D CB -0.072 40.826 40.800 0.164 0.000 1.029 188 D HN 0.499 nan 8.370 nan 0.000 0.517 189 H N 1.434 120.695 119.070 0.319 0.000 2.750 189 H HA -0.106 4.450 4.556 0.000 0.000 0.327 189 H C -2.151 173.296 175.328 0.199 0.000 1.199 189 H CA 0.192 56.321 56.048 0.135 0.000 1.149 189 H CB -1.135 28.679 29.762 0.088 0.000 1.543 189 H HN 0.441 nan 8.280 nan 0.000 0.427 190 P HA -0.020 nan 4.420 nan 0.000 0.266 190 P C 0.708 178.178 177.300 0.284 0.000 1.195 190 P CA 0.306 63.546 63.100 0.232 0.000 0.768 190 P CB 1.378 33.167 31.700 0.149 0.000 0.838 191 N N 1.489 120.368 118.700 0.298 0.000 3.327 191 N HA 0.150 4.891 4.740 0.000 0.000 0.196 191 N C 0.650 176.281 175.510 0.202 0.000 1.296 191 N CA 0.326 53.558 53.050 0.304 0.000 1.122 191 N CB -0.046 38.642 38.487 0.335 0.000 1.279 191 N HN 0.464 nan 8.380 nan 0.000 0.559 192 G N 0.839 109.742 108.800 0.173 0.000 2.528 192 G HA2 0.583 4.544 3.960 0.000 0.000 0.289 192 G HA3 0.583 4.544 3.960 0.000 0.000 0.289 192 G C -0.491 174.280 174.900 -0.214 0.000 1.192 192 G CA -0.216 44.801 45.100 -0.138 0.000 0.921 192 G HN 0.506 nan 8.290 nan 0.000 0.512 193 L N -2.716 118.177 121.223 -0.550 0.000 2.622 193 L HA 0.917 5.258 4.340 0.000 0.000 0.258 193 L C -0.806 175.906 176.870 -0.262 0.000 0.996 193 L CA -1.279 53.432 54.840 -0.215 0.000 0.858 193 L CB 1.802 43.823 42.059 -0.063 0.000 1.449 193 L HN 1.209 nan 8.230 nan 0.000 0.411 194 A N 1.138 123.985 122.820 0.046 0.000 2.594 194 A HA 0.719 5.039 4.320 0.000 0.000 0.296 194 A C -1.862 175.800 177.584 0.130 0.000 1.056 194 A CA -0.397 51.716 52.037 0.126 0.000 0.693 194 A CB 1.084 20.275 19.000 0.318 0.000 1.278 194 A HN 0.661 nan 8.150 nan 0.000 0.408 195 F N 1.676 121.675 119.950 0.081 0.000 2.377 195 F HA 0.511 5.038 4.527 0.000 0.000 0.328 195 F C 1.538 177.436 175.800 0.162 0.000 1.094 195 F CA 0.512 58.515 58.000 0.005 0.000 1.093 195 F CB 1.797 40.729 39.000 -0.113 0.000 1.214 195 F HN 0.750 nan 8.300 nan 0.000 0.518 196 S N 2.101 118.050 115.700 0.415 0.000 2.614 196 S HA 0.232 4.703 4.470 0.000 0.000 0.265 196 S C -2.031 172.714 174.600 0.242 0.000 1.303 196 S CA -1.051 57.370 58.200 0.369 0.000 1.000 196 S CB 1.129 64.495 63.200 0.276 0.000 0.935 196 S HN 0.367 nan 8.310 nan 0.000 0.551 197 P HA -0.158 nan 4.420 nan 0.000 0.216 197 P C 0.719 178.062 177.300 0.072 0.000 1.154 197 P CA 1.688 64.856 63.100 0.113 0.000 0.865 197 P CB -0.177 31.577 31.700 0.090 0.000 0.789 198 D N -1.368 119.078 120.400 0.076 0.000 2.328 198 D HA -0.054 4.587 4.640 0.000 0.000 0.226 198 D C 0.353 176.663 176.300 0.016 0.000 1.066 198 D CA -0.019 54.006 54.000 0.041 0.000 0.861 198 D CB -1.058 39.771 40.800 0.050 0.000 0.912 198 D HN 0.181 nan 8.370 nan 0.000 0.521 199 E N -0.918 119.287 120.200 0.008 0.000 3.065 199 E HA -0.319 4.032 4.350 0.000 0.000 0.277 199 E C 0.839 177.520 176.600 0.135 0.000 1.008 199 E CA 0.721 57.049 56.400 -0.120 0.000 0.864 199 E CB -1.146 28.269 29.700 -0.475 0.000 1.439 199 E HN 0.505 nan 8.360 nan 0.000 0.445 200 Q N -0.583 119.307 119.800 0.150 0.000 2.389 200 Q HA 0.027 4.367 4.340 0.000 0.000 0.204 200 Q C 0.144 176.260 176.000 0.194 0.000 0.944 200 Q CA 0.860 56.762 55.803 0.164 0.000 0.908 200 Q CB 0.676 29.467 28.738 0.089 0.000 1.002 200 Q HN 0.062 nan 8.270 nan 0.000 0.493 201 T N 0.625 115.264 114.554 0.141 0.000 2.861 201 T HA 0.468 4.818 4.350 0.000 0.000 0.287 201 T C -1.448 173.121 174.700 -0.218 0.000 1.003 201 T CA -0.573 61.480 62.100 -0.079 0.000 0.977 201 T CB 1.763 70.449 68.868 -0.304 0.000 0.996 201 T HN -0.044 nan 8.240 nan 0.000 0.448 202 L N 3.874 124.893 121.223 -0.339 0.000 2.313 202 L HA 0.620 4.961 4.340 0.000 0.000 0.283 202 L C -1.687 174.915 176.870 -0.447 0.000 1.013 202 L CA -0.615 53.886 54.840 -0.565 0.000 0.816 202 L CB 0.594 42.205 42.059 -0.747 0.000 1.236 202 L HN 0.613 nan 8.230 nan 0.000 0.419 203 Y N 4.191 124.421 120.300 -0.118 0.000 2.342 203 Y HA 0.718 5.268 4.550 0.000 0.000 0.334 203 Y C -0.239 175.782 175.900 0.202 0.000 1.067 203 Y CA -0.842 57.232 58.100 -0.044 0.000 1.128 203 Y CB 1.831 40.172 38.460 -0.199 0.000 1.200 203 Y HN 0.294 nan 8.280 nan 0.000 0.464 204 V N 2.448 122.590 119.914 0.380 0.000 2.668 204 V HA 0.391 4.511 4.120 0.000 0.000 0.304 204 V C -0.553 175.763 176.094 0.370 0.000 1.071 204 V CA -1.115 61.432 62.300 0.412 0.000 0.894 204 V CB 1.948 33.954 31.823 0.305 0.000 1.008 204 V HN 0.855 nan 8.190 nan 0.000 0.425 205 S N 4.060 120.048 115.700 0.481 0.000 2.646 205 S HA 0.713 5.183 4.470 0.000 0.000 0.276 205 S C -0.659 174.111 174.600 0.283 0.000 1.222 205 S CA -0.758 57.646 58.200 0.340 0.000 1.014 205 S CB 1.496 64.966 63.200 0.450 0.000 0.991 205 S HN 0.718 nan 8.310 nan 0.000 0.533 206 Q N 0.776 120.712 119.800 0.226 0.000 2.321 206 Q HA 0.474 4.815 4.340 0.000 0.000 0.270 206 Q C -0.921 175.224 176.000 0.243 0.000 1.032 206 Q CA -0.537 55.411 55.803 0.242 0.000 0.784 206 Q CB 2.151 31.006 28.738 0.195 0.000 1.264 206 Q HN 0.911 nan 8.270 nan 0.000 0.448 207 T N -1.098 113.645 114.554 0.315 0.000 3.585 207 T HA 0.363 4.713 4.350 0.000 0.000 0.252 207 T C -2.315 172.535 174.700 0.250 0.000 1.382 207 T CA -1.555 60.710 62.100 0.276 0.000 1.584 207 T CB 0.237 69.274 68.868 0.281 0.000 0.892 207 T HN 0.266 nan 8.240 nan 0.000 0.671 214 S N -0.429 115.321 115.700 0.084 0.000 2.499 214 S HA 0.455 4.925 4.470 0.000 0.000 0.275 214 S C 0.308 174.973 174.600 0.107 0.000 1.257 214 S CA -0.464 57.791 58.200 0.091 0.000 1.050 214 S CB 0.624 63.883 63.200 0.098 0.000 0.937 214 S HN 0.871 nan 8.310 nan 0.000 0.490 215 V N 7.055 127.030 119.914 0.102 0.000 2.353 215 V HA 0.466 4.586 4.120 0.000 0.000 0.264 215 V C 0.201 176.353 176.094 0.096 0.000 1.049 215 V CA -0.137 62.228 62.300 0.109 0.000 0.896 215 V CB -0.072 31.811 31.823 0.099 0.000 1.025 215 V HN 0.996 nan 8.190 nan 0.000 0.475 216 E N 4.774 125.020 120.200 0.078 0.000 2.442 216 E HA 0.597 4.947 4.350 0.000 0.000 0.278 216 E C -1.488 175.085 176.600 -0.045 0.000 1.082 216 E CA -1.122 55.272 56.400 -0.010 0.000 0.861 216 E CB 1.789 31.465 29.700 -0.040 0.000 1.462 216 E HN 0.324 nan 8.360 nan 0.000 0.458 217 I N 1.457 121.914 120.570 -0.188 0.000 2.339 217 I HA 0.318 4.488 4.170 0.000 0.000 0.290 217 I C -0.626 175.395 176.117 -0.159 0.000 0.994 217 I CA -0.568 60.625 61.300 -0.179 0.000 1.191 217 I CB 1.794 39.590 38.000 -0.341 0.000 1.343 217 I HN 0.474 nan 8.210 nan 0.000 0.458 218 T N 5.177 119.692 114.554 -0.065 0.000 2.902 218 T HA 0.672 5.022 4.350 0.000 0.000 0.283 218 T C -0.086 174.525 174.700 -0.149 0.000 1.009 218 T CA -0.540 61.479 62.100 -0.135 0.000 1.051 218 T CB 1.771 70.540 68.868 -0.166 0.000 0.999 218 T HN 0.660 nan 8.240 nan 0.000 0.474 219 A N 2.248 124.913 122.820 -0.258 0.000 2.337 219 A HA 0.875 5.195 4.320 0.000 0.000 0.329 219 A C -1.283 176.024 177.584 -0.462 0.000 1.146 219 A CA -0.617 51.251 52.037 -0.282 0.000 0.800 219 A CB 0.583 19.519 19.000 -0.106 0.000 1.220 219 A HN 0.697 nan 8.150 nan 0.000 0.472 220 F N 0.274 120.125 119.950 -0.164 0.000 2.588 220 F HA 0.652 5.179 4.527 0.000 0.000 0.314 220 F C 0.527 176.310 175.800 -0.027 0.000 1.069 220 F CA -0.427 57.536 58.000 -0.061 0.000 0.931 220 F CB 2.371 41.336 39.000 -0.059 0.000 1.260 220 F HN 0.698 nan 8.300 nan 0.000 0.465 221 A N 2.260 125.261 122.820 0.301 0.000 2.274 221 A HA 0.311 4.631 4.320 0.000 0.000 0.309 221 A C -1.290 176.538 177.584 0.408 0.000 1.226 221 A CA -0.473 51.725 52.037 0.269 0.000 0.853 221 A CB 0.272 19.411 19.000 0.231 0.000 1.146 221 A HN 0.893 nan 8.150 nan 0.000 0.518 222 W N 5.952 127.342 121.300 0.149 0.000 2.311 222 W HA 0.560 5.221 4.660 0.000 0.000 0.317 222 W C -0.320 176.303 176.519 0.174 0.000 1.065 222 W CA -0.684 56.769 57.345 0.180 0.000 1.364 222 W CB 0.441 30.033 29.460 0.220 0.000 1.233 222 W HN 0.867 nan 8.180 nan 0.000 0.409 223 R N 4.110 124.523 120.500 -0.145 0.000 2.664 223 R HA 0.173 4.513 4.340 0.000 0.000 0.266 223 R C -0.656 175.503 176.300 -0.234 0.000 1.046 223 R CA -0.740 55.170 56.100 -0.316 0.000 0.885 223 R CB 0.638 30.879 30.300 -0.100 0.000 1.254 223 R HN 0.418 nan 8.270 nan 0.000 0.465 224 D N 1.248 121.479 120.400 -0.280 0.000 2.689 224 D HA -0.183 4.457 4.640 0.000 0.000 0.237 224 D C 0.819 177.052 176.300 -0.112 0.000 1.148 224 D CA 2.120 56.035 54.000 -0.143 0.000 0.656 224 D CB -1.157 39.622 40.800 -0.035 0.000 1.050 224 D HN 1.205 nan 8.370 nan 0.000 0.426 225 G N -1.376 107.239 108.800 -0.309 0.000 2.168 225 G HA2 -0.019 3.941 3.960 0.000 0.000 0.257 225 G HA3 -0.019 3.941 3.960 0.000 0.000 0.257 225 G C 0.356 175.368 174.900 0.187 0.000 0.997 225 G CA 0.971 46.023 45.100 -0.080 0.000 0.708 225 G HN 1.390 nan 8.290 nan 0.000 0.520 226 A N -1.310 121.618 122.820 0.180 0.000 2.588 226 A HA 0.832 5.152 4.320 0.000 0.000 0.290 226 A C -0.664 177.103 177.584 0.304 0.000 1.136 226 A CA -0.713 51.483 52.037 0.266 0.000 0.681 226 A CB 0.986 19.955 19.000 -0.052 0.000 1.282 226 A HN 0.749 nan 8.150 nan 0.000 0.421 227 L N 1.930 123.188 121.223 0.059 0.000 2.295 227 L HA 0.516 4.856 4.340 0.000 0.000 0.285 227 L C -0.244 176.530 176.870 -0.159 0.000 1.035 227 L CA -0.542 54.339 54.840 0.068 0.000 0.806 227 L CB 1.046 43.019 42.059 -0.143 0.000 1.214 227 L HN 0.741 nan 8.230 nan 0.000 0.426 228 H N 1.607 120.840 119.070 0.272 0.000 2.927 228 H HA 0.208 4.764 4.556 0.000 0.000 0.316 228 H C -0.687 174.771 175.328 0.217 0.000 1.403 228 H CA -0.793 55.382 56.048 0.210 0.000 1.288 228 H CB 1.533 31.374 29.762 0.132 0.000 1.944 228 H HN 0.554 nan 8.280 nan 0.000 0.629 229 D N 1.152 121.723 120.400 0.286 0.000 2.810 229 D HA -0.211 4.430 4.640 0.000 0.000 0.224 229 D C 0.477 176.813 176.300 0.059 0.000 1.222 229 D CA 0.617 54.706 54.000 0.148 0.000 0.698 229 D CB -0.686 40.184 40.800 0.117 0.000 0.961 229 D HN 0.394 nan 8.370 nan 0.000 0.403 230 R N 1.576 122.093 120.500 0.029 0.000 2.489 230 R HA 0.178 4.519 4.340 0.000 0.000 0.287 230 R C 0.661 176.842 176.300 -0.198 0.000 1.053 230 R CA 0.054 55.993 56.100 -0.268 0.000 1.036 230 R CB 0.628 30.845 30.300 -0.138 0.000 0.966 230 R HN 0.334 nan 8.270 nan 0.000 0.432 231 R N 3.359 123.698 120.500 -0.268 0.000 2.716 231 R HA 0.111 4.451 4.340 0.000 0.000 0.271 231 R C -1.485 174.785 176.300 -0.050 0.000 1.028 231 R CA -0.834 55.210 56.100 -0.093 0.000 0.883 231 R CB 0.409 30.701 30.300 -0.014 0.000 1.250 231 R HN 0.749 nan 8.270 nan 0.000 0.465 232 H N 1.749 120.782 119.070 -0.062 0.000 2.886 232 H HA 0.117 4.673 4.556 0.000 0.000 0.329 232 H C -0.639 174.698 175.328 0.016 0.000 1.044 232 H CA 0.423 56.451 56.048 -0.034 0.000 1.456 232 H CB 0.658 30.393 29.762 -0.046 0.000 1.464 232 H HN 0.596 nan 8.280 nan 0.000 0.573 233 F N 3.617 123.293 119.950 -0.457 0.000 2.490 233 F HA 0.456 4.983 4.527 0.000 0.000 0.280 233 F C -0.055 175.501 175.800 -0.406 0.000 1.030 233 F CA 0.783 58.615 58.000 -0.281 0.000 1.367 233 F CB 0.542 39.425 39.000 -0.195 0.000 1.131 233 F HN 0.666 nan 8.300 nan 0.000 0.632 234 A N -0.466 121.899 122.820 -0.758 0.000 2.601 234 A HA 0.669 4.990 4.320 0.000 0.000 0.291 234 A C -1.250 176.040 177.584 -0.490 0.000 1.075 234 A CA -0.450 51.166 52.037 -0.702 0.000 0.671 234 A CB 0.836 19.038 19.000 -1.331 0.000 1.277 234 A HN 0.039 nan 8.150 nan 0.000 0.417 235 S N -0.546 115.044 115.700 -0.182 0.000 2.549 235 S HA 0.700 5.170 4.470 0.000 0.000 0.280 235 S C -0.404 174.264 174.600 0.114 0.000 1.109 235 S CA -0.232 57.972 58.200 0.008 0.000 0.905 235 S CB 1.714 65.002 63.200 0.147 0.000 1.081 235 S HN 1.775 nan 8.310 nan 0.000 0.477 236 V N 1.185 121.187 119.914 0.147 0.000 2.617 236 V HA 0.503 4.623 4.120 0.000 0.000 0.298 236 V C -2.055 174.114 176.094 0.125 0.000 1.048 236 V CA -1.692 60.738 62.300 0.217 0.000 0.964 236 V CB 0.312 32.259 31.823 0.208 0.000 1.004 236 V HN 0.626 nan 8.190 nan 0.000 0.466 237 P HA -0.029 nan 4.420 nan 0.000 0.216 237 P C -0.047 177.266 177.300 0.022 0.000 1.153 237 P CA 1.410 64.528 63.100 0.029 0.000 0.858 237 P CB 0.126 31.810 31.700 -0.027 0.000 0.789 238 D N -1.940 118.479 120.400 0.032 0.000 2.671 238 D HA 0.440 5.080 4.640 0.000 0.000 0.232 238 D C 0.551 176.886 176.300 0.058 0.000 1.114 238 D CA 0.142 54.160 54.000 0.030 0.000 0.858 238 D CB 2.338 43.139 40.800 0.000 0.000 1.544 238 D HN 0.122 nan 8.370 nan 0.000 0.471 239 G N 0.543 109.375 108.800 0.053 0.000 2.598 239 G HA2 -0.216 3.744 3.960 0.000 0.000 0.244 239 G HA3 -0.216 3.744 3.960 0.000 0.000 0.244 239 G C -0.801 174.148 174.900 0.083 0.000 1.302 239 G CA -0.472 44.667 45.100 0.065 0.000 0.903 239 G HN 0.489 nan 8.290 nan 0.000 0.575 240 L N 1.571 122.850 121.223 0.093 0.000 2.334 240 L HA 0.519 4.859 4.340 0.000 0.000 0.276 240 L C -1.922 175.035 176.870 0.143 0.000 1.014 240 L CA -1.988 52.921 54.840 0.114 0.000 0.815 240 L CB 2.453 44.577 42.059 0.109 0.000 1.268 240 L HN 0.444 nan 8.230 nan 0.000 0.428 241 P HA 0.074 nan 4.420 nan 0.000 0.256 241 P C -0.525 176.939 177.300 0.273 0.000 1.689 241 P CA -0.095 63.129 63.100 0.207 0.000 1.124 241 P CB 1.169 32.953 31.700 0.140 0.000 1.766 242 D N 3.374 123.922 120.400 0.247 0.000 2.049 242 D HA -0.001 4.639 4.640 0.000 0.000 0.240 242 D C 0.895 177.351 176.300 0.260 0.000 0.979 242 D CA 1.061 55.197 54.000 0.226 0.000 0.915 242 D CB -0.168 40.729 40.800 0.161 0.000 1.050 242 D HN 0.297 nan 8.370 nan 0.000 0.444 243 G N -1.155 107.765 108.800 0.199 0.000 2.410 243 G HA2 0.536 4.496 3.960 0.000 0.000 0.330 243 G HA3 0.536 4.496 3.960 0.000 0.000 0.330 243 G C -0.942 174.081 174.900 0.205 0.000 1.142 243 G CA -0.433 44.714 45.100 0.077 0.000 0.902 243 G HN 0.357 nan 8.290 nan 0.000 0.491 244 F N -1.047 118.992 119.950 0.148 0.000 2.741 244 F HA 0.718 5.245 4.527 0.000 0.000 0.313 244 F C -0.360 175.546 175.800 0.176 0.000 1.153 244 F CA -1.982 56.121 58.000 0.171 0.000 0.931 244 F CB 0.652 39.754 39.000 0.169 0.000 1.335 244 F HN 0.817 nan 8.300 nan 0.000 0.460 245 C N -0.002 119.602 119.300 0.507 0.000 3.236 245 C HA 0.963 5.423 4.460 0.000 0.000 0.312 245 C C -1.332 173.959 174.990 0.501 0.000 1.374 245 C CA -1.069 58.190 59.018 0.403 0.000 1.455 245 C CB 1.358 29.276 27.740 0.297 0.000 1.834 245 C HN 0.930 nan 8.230 nan 0.000 0.460 246 V N 2.595 122.747 119.914 0.397 0.000 2.588 246 V HA 0.497 4.617 4.120 0.000 0.000 0.304 246 V C -0.477 175.779 176.094 0.270 0.000 1.042 246 V CA 0.008 62.532 62.300 0.374 0.000 0.877 246 V CB 1.756 33.757 31.823 0.297 0.000 0.996 246 V HN 1.114 nan 8.190 nan 0.000 0.425 247 D N 3.614 124.160 120.400 0.243 0.000 2.387 247 D HA 0.257 4.897 4.640 0.000 0.000 0.251 247 D C 0.978 177.267 176.300 -0.019 0.000 1.141 247 D CA -0.756 53.220 54.000 -0.041 0.000 0.987 247 D CB 0.887 41.508 40.800 -0.298 0.000 1.116 247 D HN 0.285 nan 8.370 nan 0.000 0.491 248 R N -0.226 120.207 120.500 -0.112 0.000 2.211 248 R HA -0.051 4.290 4.340 0.000 0.000 0.240 248 R C 1.880 178.135 176.300 -0.074 0.000 1.144 248 R CA 1.386 57.443 56.100 -0.072 0.000 0.992 248 R CB -0.421 29.817 30.300 -0.102 0.000 0.869 248 R HN 0.704 nan 8.270 nan 0.000 0.462 249 G N -1.537 107.175 108.800 -0.146 0.000 2.777 249 G HA2 0.132 4.093 3.960 0.000 0.000 0.211 249 G HA3 0.132 4.093 3.960 0.000 0.000 0.211 249 G C 0.881 175.739 174.900 -0.070 0.000 1.149 249 G CA 0.506 45.487 45.100 -0.198 0.000 0.785 249 G HN 0.459 nan 8.290 nan 0.000 0.536 250 G N -1.958 106.883 108.800 0.069 0.000 2.179 250 G HA2 -0.217 3.743 3.960 0.000 0.000 0.220 250 G HA3 -0.217 3.743 3.960 0.000 0.000 0.220 250 G C 0.145 175.286 174.900 0.401 0.000 0.990 250 G CA -0.196 45.039 45.100 0.225 0.000 0.646 250 G HN 0.186 nan 8.290 nan 0.000 0.517 251 W N 0.594 122.005 121.300 0.185 0.000 2.218 251 W HA 0.712 5.373 4.660 0.000 0.000 0.326 251 W C 0.536 177.228 176.519 0.287 0.000 1.276 251 W CA -1.123 56.333 57.345 0.184 0.000 1.210 251 W CB 0.500 30.049 29.460 0.148 0.000 1.143 251 W HN 0.188 nan 8.180 nan 0.000 0.563 252 L N 3.827 125.287 121.223 0.396 0.000 2.287 252 L HA 0.440 4.780 4.340 0.000 0.000 0.287 252 L C -1.345 175.760 176.870 0.393 0.000 1.022 252 L CA -0.527 54.524 54.840 0.352 0.000 0.814 252 L CB 0.564 42.638 42.059 0.024 0.000 1.217 252 L HN 0.341 nan 8.230 nan 0.000 0.420 253 W N 4.524 126.011 121.300 0.313 0.000 2.294 253 W HA 0.515 5.176 4.660 0.001 0.000 0.314 253 W C 0.108 176.791 176.519 0.273 0.000 1.044 253 W CA -0.440 57.062 57.345 0.261 0.000 1.284 253 W CB 1.645 31.273 29.460 0.282 0.000 1.231 253 W HN 0.379 nan 8.180 nan 0.000 0.419 254 S N 2.519 118.464 115.700 0.408 0.000 2.532 254 S HA 0.666 5.137 4.470 0.000 0.000 0.301 254 S C 0.244 175.014 174.600 0.282 0.000 1.083 254 S CA -0.615 57.821 58.200 0.393 0.000 1.025 254 S CB 0.710 64.117 63.200 0.344 0.000 1.056 254 S HN 0.402 nan 8.310 nan 0.000 0.494 255 S N 2.893 118.759 115.700 0.277 0.000 2.589 255 S HA 0.704 5.174 4.470 0.000 0.000 0.265 255 S C 0.135 174.844 174.600 0.182 0.000 1.342 255 S CA 0.006 58.323 58.200 0.194 0.000 1.005 255 S CB 0.624 63.934 63.200 0.184 0.000 0.909 255 S HN 1.519 nan 8.310 nan 0.000 0.555 256 S N -0.673 115.112 115.700 0.141 0.000 2.655 256 S HA 0.603 5.074 4.470 0.000 0.000 0.266 256 S C 0.812 175.476 174.600 0.106 0.000 1.149 256 S CA -0.502 57.780 58.200 0.136 0.000 0.818 256 S CB 0.553 63.848 63.200 0.158 0.000 1.130 256 S HN 1.154 nan 8.310 nan 0.000 0.476 257 G N 0.390 109.244 108.800 0.091 0.000 2.448 257 G HA2 0.036 3.997 3.960 0.000 0.000 0.219 257 G HA3 0.036 3.997 3.960 0.000 0.000 0.219 257 G C 1.094 176.029 174.900 0.059 0.000 1.127 257 G CA 1.517 46.655 45.100 0.063 0.000 0.766 257 G HN 1.416 nan 8.290 nan 0.000 0.552 258 T N -3.465 111.147 114.554 0.097 0.000 3.054 258 T HA 0.544 4.894 4.350 0.000 0.000 0.255 258 T C 0.951 175.751 174.700 0.166 0.000 1.035 258 T CA 0.848 63.016 62.100 0.114 0.000 0.941 258 T CB 0.976 69.888 68.868 0.074 0.000 1.026 258 T HN 1.090 nan 8.240 nan 0.000 0.533 259 G N 0.652 109.511 108.800 0.099 0.000 2.347 259 G HA2 0.316 4.276 3.960 0.000 0.000 0.224 259 G HA3 0.316 4.276 3.960 0.000 0.000 0.224 259 G C -1.866 172.953 174.900 -0.136 0.000 1.318 259 G CA -0.357 44.667 45.100 -0.127 0.000 1.016 259 G HN 0.360 nan 8.290 nan 0.000 0.469 260 V N 0.258 119.989 119.914 -0.304 0.000 2.398 260 V HA 0.529 4.649 4.120 0.000 0.000 0.286 260 V C 0.148 176.107 176.094 -0.225 0.000 1.026 260 V CA -0.515 61.705 62.300 -0.133 0.000 0.868 260 V CB 0.986 32.808 31.823 -0.002 0.000 0.982 260 V HN 0.905 nan 8.190 nan 0.000 0.443 261 C N 4.961 124.205 119.300 -0.094 0.000 2.358 261 C HA 0.711 5.172 4.460 0.000 0.000 0.342 261 C C 0.208 174.924 174.990 -0.458 0.000 1.234 261 C CA -0.703 58.150 59.018 -0.275 0.000 1.969 261 C CB 1.077 28.687 27.740 -0.217 0.000 2.346 261 C HN 0.642 nan 8.230 nan 0.000 0.525 262 V N 3.415 122.867 119.914 -0.770 0.000 2.448 262 V HA 0.593 4.713 4.120 0.000 0.000 0.295 262 V C -0.643 174.852 176.094 -0.999 0.000 1.025 262 V CA -0.258 61.519 62.300 -0.872 0.000 0.859 262 V CB 1.026 32.173 31.823 -1.127 0.000 0.988 262 V HN 0.713 nan 8.190 nan 0.000 0.431 263 F N 2.255 121.956 119.950 -0.416 0.000 2.546 263 F HA 0.598 5.125 4.527 0.000 0.000 0.320 263 F C 0.273 175.862 175.800 -0.351 0.000 1.076 263 F CA -1.091 56.705 58.000 -0.342 0.000 0.928 263 F CB 1.497 40.388 39.000 -0.181 0.000 1.189 263 F HN 0.644 nan 8.300 nan 0.000 0.465 264 D N -0.746 119.556 120.400 -0.163 0.000 2.433 264 D HA 0.135 4.775 4.640 0.000 0.000 0.255 264 D C 1.125 177.583 176.300 0.264 0.000 1.226 264 D CA -0.345 53.624 54.000 -0.052 0.000 1.015 264 D CB 0.413 41.182 40.800 -0.052 0.000 1.091 264 D HN 0.448 nan 8.370 nan 0.000 0.527 265 S N -1.272 114.649 115.700 0.369 0.000 2.500 265 S HA -0.167 4.303 4.470 0.000 0.000 0.239 265 S C 0.710 175.555 174.600 0.408 0.000 0.989 265 S CA 0.747 59.197 58.200 0.416 0.000 0.951 265 S CB -0.353 63.054 63.200 0.345 0.000 0.759 265 S HN 0.475 nan 8.310 nan 0.000 0.523 266 D N 0.787 121.318 120.400 0.218 0.000 2.349 266 D HA 0.244 4.884 4.640 0.000 0.000 0.214 266 D C 1.453 177.669 176.300 -0.139 0.000 1.063 266 D CA 0.774 54.832 54.000 0.098 0.000 0.847 266 D CB 0.387 41.226 40.800 0.066 0.000 0.933 266 D HN 0.617 nan 8.370 nan 0.000 0.513 267 G N 1.793 110.399 108.800 -0.324 0.000 2.175 267 G HA2 -0.276 3.684 3.960 0.000 0.000 0.244 267 G HA3 -0.276 3.684 3.960 0.000 0.000 0.244 267 G C 0.304 175.068 174.900 -0.227 0.000 0.982 267 G CA -0.022 44.615 45.100 -0.771 0.000 0.641 267 G HN 0.397 nan 8.290 nan 0.000 0.527 268 Q N 0.512 120.268 119.800 -0.073 0.000 2.297 268 Q HA 0.494 4.834 4.340 0.000 0.000 0.267 268 Q C 0.446 176.444 176.000 -0.003 0.000 1.006 268 Q CA -0.547 55.242 55.803 -0.023 0.000 0.896 268 Q CB 0.509 29.222 28.738 -0.042 0.000 1.186 268 Q HN 0.469 nan 8.270 nan 0.000 0.392 269 L N 6.134 127.341 121.223 -0.027 0.000 2.410 269 L HA 0.049 4.389 4.340 0.000 0.000 0.273 269 L C 0.318 176.989 176.870 -0.331 0.000 1.144 269 L CA 0.014 54.662 54.840 -0.320 0.000 0.863 269 L CB 0.483 42.392 42.059 -0.250 0.000 1.140 269 L HN 0.903 nan 8.230 nan 0.000 0.463 270 L N 4.963 125.894 121.223 -0.487 0.000 2.470 270 L HA 0.418 4.758 4.340 0.000 0.000 0.219 270 L C 0.873 177.541 176.870 -0.336 0.000 1.071 270 L CA 0.340 54.940 54.840 -0.399 0.000 0.850 270 L CB 0.049 41.704 42.059 -0.674 0.000 1.040 270 L HN 0.771 nan 8.230 nan 0.000 0.475 271 G N -1.686 106.875 108.800 -0.399 0.000 2.349 271 G HA2 0.248 4.208 3.960 0.000 0.000 0.294 271 G HA3 0.248 4.208 3.960 0.000 0.000 0.294 271 G C -2.237 172.521 174.900 -0.237 0.000 1.380 271 G CA -0.492 44.449 45.100 -0.265 0.000 0.811 271 G HN 0.004 nan 8.290 nan 0.000 0.519 272 H N -0.468 118.462 119.070 -0.233 0.000 2.771 272 H HA 0.615 5.171 4.556 0.001 0.000 0.361 272 H C -1.269 173.977 175.328 -0.136 0.000 1.108 272 H CA -0.580 55.352 56.048 -0.193 0.000 1.201 272 H CB 1.896 31.562 29.762 -0.161 0.000 1.681 272 H HN 0.380 nan 8.280 nan 0.000 0.534 273 I N 7.124 127.305 120.570 -0.647 0.000 2.371 273 I HA 0.227 4.397 4.170 0.000 0.000 0.282 273 I C -2.386 173.393 176.117 -0.564 0.000 1.031 273 I CA -1.945 59.109 61.300 -0.408 0.000 1.180 273 I CB 1.670 39.538 38.000 -0.220 0.000 1.336 273 I HN 0.314 nan 8.210 nan 0.000 0.467 274 P HA 0.105 nan 4.420 nan 0.000 0.269 274 P C -0.513 176.611 177.300 -0.294 0.000 1.209 274 P CA -0.011 63.007 63.100 -0.137 0.000 0.776 274 P CB 0.656 32.353 31.700 -0.005 0.000 0.876 275 T N -1.141 113.205 114.554 -0.348 0.000 2.907 275 T HA 0.455 4.805 4.350 0.000 0.000 0.292 275 T C -2.081 172.281 174.700 -0.563 0.000 1.043 275 T CA -2.167 59.519 62.100 -0.691 0.000 1.003 275 T CB 1.655 69.995 68.868 -0.881 0.000 1.084 275 T HN 0.163 nan 8.240 nan 0.000 0.483 276 P HA 0.156 nan 4.420 nan 0.000 0.228 276 P C 0.694 177.932 177.300 -0.104 0.000 1.151 276 P CA 0.615 63.547 63.100 -0.280 0.000 0.770 276 P CB -0.078 31.523 31.700 -0.164 0.000 0.786 277 G N -1.420 107.320 108.800 -0.101 0.000 2.727 277 G HA2 0.369 4.329 3.960 0.000 0.000 0.289 277 G HA3 0.369 4.329 3.960 0.000 0.000 0.289 277 G C -1.217 173.743 174.900 0.099 0.000 1.418 277 G CA -0.314 44.845 45.100 0.097 0.000 0.818 277 G HN -0.227 nan 8.290 nan 0.000 0.486 278 T N 0.831 115.436 114.554 0.085 0.000 2.934 278 T HA 0.446 4.797 4.350 0.000 0.000 0.306 278 T C 0.626 175.404 174.700 0.130 0.000 1.042 278 T CA 0.852 62.987 62.100 0.059 0.000 1.145 278 T CB 0.808 69.671 68.868 -0.009 0.000 0.982 278 T HN 0.968 nan 8.240 nan 0.000 0.544 279 A N 2.441 125.337 122.820 0.128 0.000 2.290 279 A HA 0.551 4.871 4.320 0.000 0.000 0.310 279 A C 1.206 178.850 177.584 0.099 0.000 1.202 279 A CA -0.476 51.672 52.037 0.185 0.000 0.837 279 A CB 0.676 19.775 19.000 0.165 0.000 1.139 279 A HN 0.882 nan 8.150 nan 0.000 0.509 280 S N 1.897 117.636 115.700 0.066 0.000 2.497 280 S HA 0.195 4.665 4.470 0.000 0.000 0.221 280 S C 0.609 175.271 174.600 0.104 0.000 1.037 280 S CA 0.274 58.509 58.200 0.057 0.000 0.920 280 S CB -0.023 63.177 63.200 -0.001 0.000 0.800 280 S HN 0.745 nan 8.310 nan 0.000 0.505 281 N N -0.485 118.275 118.700 0.100 0.000 3.261 281 N HA 0.484 5.224 4.740 0.000 0.000 0.248 281 N C -2.020 173.546 175.510 0.092 0.000 1.498 281 N CA 0.259 53.371 53.050 0.103 0.000 0.884 281 N CB 1.567 40.106 38.487 0.087 0.000 1.428 281 N HN 0.555 nan 8.380 nan 0.000 0.517 282 C N -1.275 118.076 119.300 0.086 0.000 3.303 282 C HA 0.895 5.355 4.460 0.000 0.000 0.340 282 C C -0.568 174.444 174.990 0.035 0.000 1.274 282 C CA -0.484 58.562 59.018 0.046 0.000 1.234 282 C CB 1.208 28.974 27.740 0.044 0.000 1.532 282 C HN 0.808 nan 8.230 nan 0.000 0.483 283 T N 0.049 114.583 114.554 -0.032 0.000 2.749 283 T HA 0.689 5.039 4.350 0.000 0.000 0.310 283 T C -1.914 172.725 174.700 -0.101 0.000 1.496 283 T CA -0.182 61.931 62.100 0.021 0.000 1.006 283 T CB 1.149 70.091 68.868 0.123 0.000 1.457 283 T HN 0.700 nan 8.240 nan 0.000 0.497 284 F N 1.967 121.934 119.950 0.029 0.000 2.541 284 F HA 0.502 5.029 4.527 0.000 0.000 0.331 284 F C 0.787 176.587 175.800 -0.001 0.000 1.057 284 F CA -0.487 57.485 58.000 -0.047 0.000 0.975 284 F CB 1.293 40.176 39.000 -0.194 0.000 1.246 284 F HN 0.664 nan 8.300 nan 0.000 0.484 285 D N 0.332 120.764 120.400 0.053 0.000 2.433 285 D HA 0.074 4.714 4.640 0.000 0.000 0.255 285 D C 0.928 176.954 176.300 -0.458 0.000 1.226 285 D CA -0.337 53.304 54.000 -0.600 0.000 1.015 285 D CB 0.270 40.490 40.800 -0.966 0.000 1.091 285 D HN 0.500 nan 8.370 nan 0.000 0.527 286 Q N 0.267 119.643 119.800 -0.707 0.000 2.062 286 Q HA -0.195 4.146 4.340 0.000 0.000 0.209 286 Q C 1.901 177.844 176.000 -0.095 0.000 0.996 286 Q CA 2.999 58.743 55.803 -0.098 0.000 0.859 286 Q CB -0.907 27.927 28.738 0.160 0.000 0.920 286 Q HN 0.633 nan 8.270 nan 0.000 0.415 287 A N -0.600 122.133 122.820 -0.144 0.000 2.168 287 A HA -0.073 4.247 4.320 0.000 0.000 0.215 287 A C 0.196 177.692 177.584 -0.146 0.000 1.152 287 A CA 0.890 52.861 52.037 -0.109 0.000 0.716 287 A CB -0.198 18.749 19.000 -0.088 0.000 0.794 287 A HN 0.576 nan 8.150 nan 0.000 0.465 288 Q N -1.686 118.019 119.800 -0.159 0.000 2.478 288 Q HA -0.215 4.126 4.340 0.000 0.000 0.286 288 Q C 0.080 176.001 176.000 -0.132 0.000 1.299 288 Q CA 0.827 56.503 55.803 -0.212 0.000 0.826 288 Q CB -1.366 27.060 28.738 -0.519 0.000 1.199 288 Q HN 0.709 nan 8.270 nan 0.000 0.451 289 Q N -0.426 119.332 119.800 -0.070 0.000 2.281 289 Q HA 0.203 4.544 4.340 0.000 0.000 0.215 289 Q C 0.038 175.986 176.000 -0.086 0.000 0.867 289 Q CA 0.596 56.359 55.803 -0.067 0.000 0.940 289 Q CB 0.895 29.586 28.738 -0.079 0.000 1.111 289 Q HN 0.342 nan 8.270 nan 0.000 0.513 290 R N 0.503 120.925 120.500 -0.130 0.000 2.502 290 R HA 0.397 4.737 4.340 0.000 0.000 0.300 290 R C -1.204 174.760 176.300 -0.561 0.000 0.984 290 R CA -0.701 55.168 56.100 -0.386 0.000 0.882 290 R CB 1.787 31.762 30.300 -0.542 0.000 1.180 290 R HN -0.093 nan 8.270 nan 0.000 0.444 291 L N 4.096 124.891 121.223 -0.713 0.000 2.257 291 L HA 0.482 4.823 4.340 0.000 0.000 0.290 291 L C -1.390 175.028 176.870 -0.753 0.000 1.044 291 L CA -0.008 54.265 54.840 -0.945 0.000 0.810 291 L CB 0.353 41.869 42.059 -0.904 0.000 1.193 291 L HN 0.408 nan 8.230 nan 0.000 0.425 292 F N 5.883 125.575 119.950 -0.430 0.000 2.404 292 F HA 0.578 5.105 4.527 0.000 0.000 0.339 292 F C 0.181 175.838 175.800 -0.238 0.000 1.105 292 F CA -0.310 57.499 58.000 -0.317 0.000 1.087 292 F CB 1.115 39.945 39.000 -0.283 0.000 1.143 292 F HN 0.259 nan 8.300 nan 0.000 0.491 293 I N 2.170 122.743 120.570 0.005 0.000 2.533 293 I HA 0.349 4.519 4.170 0.000 0.000 0.290 293 I C -0.483 175.631 176.117 -0.005 0.000 1.056 293 I CA -0.761 60.584 61.300 0.075 0.000 1.057 293 I CB 2.349 40.479 38.000 0.218 0.000 1.240 293 I HN 0.573 nan 8.210 nan 0.000 0.423 294 T N 1.359 115.875 114.554 -0.063 0.000 2.929 294 T HA 0.872 5.222 4.350 0.000 0.000 0.284 294 T C -0.042 174.545 174.700 -0.188 0.000 1.014 294 T CA -0.936 61.019 62.100 -0.242 0.000 1.051 294 T CB 1.993 70.787 68.868 -0.124 0.000 1.028 294 T HN 0.993 nan 8.240 nan 0.000 0.485 295 G N -0.369 108.174 108.800 -0.428 0.000 2.139 295 G HA2 0.593 4.553 3.960 0.000 0.000 0.315 295 G HA3 0.593 4.553 3.960 0.000 0.000 0.315 295 G C 0.248 174.918 174.900 -0.383 0.000 1.599 295 G CA 0.127 45.052 45.100 -0.291 0.000 0.960 295 G HN 1.491 nan 8.290 nan 0.000 0.615 296 G N 3.645 112.224 108.800 -0.368 0.000 2.596 296 G HA2 -0.191 3.769 3.960 0.000 0.000 0.295 296 G HA3 -0.191 3.769 3.960 0.000 0.000 0.295 296 G C -0.602 174.203 174.900 -0.158 0.000 1.240 296 G CA 0.585 45.514 45.100 -0.286 0.000 0.985 296 G HN 1.050 nan 8.290 nan 0.000 0.555 297 P HA 0.198 nan 4.420 nan 0.000 0.242 297 P C 0.383 177.640 177.300 -0.072 0.000 1.197 297 P CA 0.924 64.011 63.100 -0.022 0.000 0.765 297 P CB -0.370 31.317 31.700 -0.021 0.000 0.936 298 C N 0.095 119.203 119.300 -0.319 0.000 2.562 298 C HA 0.674 5.134 4.460 0.000 0.000 0.332 298 C C -0.166 174.331 174.990 -0.822 0.000 1.201 298 C CA -0.769 57.882 59.018 -0.611 0.000 1.803 298 C CB 1.111 28.163 27.740 -1.146 0.000 2.328 298 C HN 0.126 nan 8.230 nan 0.000 0.500 299 L N 2.522 123.281 121.223 -0.772 0.000 2.372 299 L HA 0.661 5.002 4.340 0.000 0.000 0.274 299 L C -1.212 175.289 176.870 -0.616 0.000 0.988 299 L CA -0.154 54.180 54.840 -0.843 0.000 0.833 299 L CB 0.396 41.769 42.059 -1.144 0.000 1.236 299 L HN 0.705 nan 8.230 nan 0.000 0.410 300 W N 5.739 126.888 121.300 -0.252 0.000 2.655 300 W HA 0.642 5.302 4.660 0.000 0.000 0.358 300 W C -0.293 176.048 176.519 -0.298 0.000 1.100 300 W CA -0.904 56.307 57.345 -0.224 0.000 1.195 300 W CB 1.887 31.242 29.460 -0.174 0.000 1.403 300 W HN 0.371 nan 8.180 nan 0.000 0.589 301 M N 2.827 122.369 119.600 -0.096 0.000 2.371 301 M HA 0.368 4.849 4.480 0.000 0.000 0.287 301 M C -2.271 173.850 176.300 -0.298 0.000 1.149 301 M CA -0.834 54.231 55.300 -0.391 0.000 0.929 301 M CB 2.382 34.592 32.600 -0.649 0.000 1.683 301 M HN 0.375 nan 8.290 nan 0.000 0.470 302 L N 8.095 129.109 121.223 -0.349 0.000 2.294 302 L HA 0.667 5.007 4.340 0.000 0.000 0.283 302 L C -2.356 174.369 176.870 -0.241 0.000 1.015 302 L CA -1.182 53.520 54.840 -0.229 0.000 0.831 302 L CB 1.591 43.551 42.059 -0.165 0.000 1.217 302 L HN 0.374 nan 8.230 nan 0.000 0.420 303 P HA 0.207 nan 4.420 nan 0.000 0.287 303 P C -0.953 176.303 177.300 -0.073 0.000 1.307 303 P CA -0.224 62.794 63.100 -0.137 0.000 0.777 303 P CB 0.809 32.451 31.700 -0.097 0.000 0.883 304 L N 6.383 127.571 121.223 -0.058 0.000 2.350 304 L HA 0.409 4.749 4.340 0.000 0.000 0.275 304 L C -1.229 175.634 176.870 -0.011 0.000 1.099 304 L CA -2.046 52.791 54.840 -0.006 0.000 0.808 304 L CB 0.655 42.730 42.059 0.028 0.000 1.149 304 L HN 0.238 nan 8.230 nan 0.000 0.442 305 P HA 0.000 nan 4.420 nan 0.000 0.216 305 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 305 P CB 0.000 31.704 31.700 0.007 0.000 0.726