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 2v3b_1_A DATA FIRST_RESID 4 DATA SEQUENCE RAPLVIIGTG LAGYNLAREW RKLDGETPLL MITADDGRSY SKPMLSTGFS DATA SEQUENCE KNKDADGLAM AEPGAMAEQL NARILTHTRV TGIDPGHQRI WIGEEEVRYR DATA SEQUENCE DLVLAWGAEP IRVPVEGDAQ DALYPINDLE DYARFRQAAA GKRRVLLLGA DATA SEQUENCE GLIGCEFAND LSSGGYQLDV VAPCEQVMPG LLHPAAAKAV QAGLEGLGVR DATA SEQUENCE FHLGPVLASL KKAGEGLEAH LSDGEVIPCD LVVSAVGLRP RTELAFAAGL DATA SEQUENCE AVNRGIVVDR SLRTSHANIY ALGDCAEVDG LNLLYVMPLM ACARALAQTL DATA SEQUENCE AGNPSQVAYG PMPVTVKTPA CPLVVSPPPR GMDGQWLVEG SGTDLKVLCR DATA SEQUENCE DTAGRVIGYA LTGAAVNEKL ALNKELPGLM A 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.326 176.300 0.044 0.000 0.893 4 R CA 0.000 56.125 56.100 0.041 0.000 0.921 4 R CB 0.000 30.317 30.300 0.028 0.000 0.687 5 A N 4.143 126.985 122.820 0.038 0.000 2.561 5 A HA 0.273 4.536 4.320 -0.095 0.000 0.251 5 A C -2.222 175.397 177.584 0.058 0.000 1.062 5 A CA -0.372 51.687 52.037 0.037 0.000 0.761 5 A CB -0.182 18.834 19.000 0.026 0.000 0.986 5 A HN 0.277 nan 8.150 nan 0.000 0.510 6 P HA 0.295 nan 4.420 nan 0.000 0.281 6 P C -0.397 176.918 177.300 0.025 0.000 1.249 6 P CA -0.658 62.477 63.100 0.058 0.000 0.810 6 P CB 0.902 32.632 31.700 0.051 0.000 1.008 7 L N 3.234 124.425 121.223 -0.054 0.000 2.455 7 L HA 0.161 4.444 4.340 -0.095 0.000 0.272 7 L C -0.703 176.075 176.870 -0.153 0.000 1.174 7 L CA 0.154 54.863 54.840 -0.217 0.000 0.869 7 L CB 0.148 41.835 42.059 -0.621 0.000 1.130 7 L HN 0.069 nan 8.230 nan 0.000 0.474 8 V N 7.328 127.153 119.914 -0.148 0.000 2.409 8 V HA 0.433 4.497 4.120 -0.095 0.000 0.291 8 V C 0.086 176.065 176.094 -0.192 0.000 1.020 8 V CA -0.435 61.792 62.300 -0.122 0.000 0.848 8 V CB 1.382 33.174 31.823 -0.051 0.000 0.990 8 V HN 0.602 nan 8.190 nan 0.000 0.430 9 I N 5.960 126.436 120.570 -0.157 0.000 2.362 9 I HA 0.464 4.577 4.170 -0.095 0.000 0.289 9 I C -0.377 175.669 176.117 -0.120 0.000 0.994 9 I CA -0.423 60.777 61.300 -0.168 0.000 1.158 9 I CB 1.768 39.672 38.000 -0.160 0.000 1.315 9 I HN 0.441 nan 8.210 nan 0.000 0.451 10 I N 6.203 126.699 120.570 -0.123 0.000 2.281 10 I HA 0.572 4.685 4.170 -0.095 0.000 0.293 10 I C 0.537 176.638 176.117 -0.026 0.000 1.085 10 I CA -0.053 61.229 61.300 -0.031 0.000 1.257 10 I CB 0.673 38.715 38.000 0.069 0.000 1.430 10 I HN 0.819 nan 8.210 nan 0.000 0.489 11 G N 3.086 111.858 108.800 -0.047 0.000 2.542 11 G HA2 0.045 3.948 3.960 -0.095 0.000 0.391 11 G HA3 0.045 3.948 3.960 -0.095 0.000 0.391 11 G C -0.225 174.539 174.900 -0.226 0.000 1.551 11 G CA -0.473 44.585 45.100 -0.070 0.000 0.946 11 G HN 0.559 nan 8.290 nan 0.000 0.662 12 T N -0.110 114.274 114.554 -0.284 0.000 3.293 12 T HA 0.623 4.916 4.350 -0.095 0.000 0.276 12 T C 1.257 175.727 174.700 -0.383 0.000 1.003 12 T CA 0.769 62.460 62.100 -0.682 0.000 0.916 12 T CB 0.790 69.258 68.868 -0.667 0.000 1.134 12 T HN 1.444 nan 8.240 nan 0.000 0.530 13 G N 0.916 109.616 108.800 -0.167 0.000 2.494 13 G HA2 0.493 4.396 3.960 -0.095 0.000 0.270 13 G HA3 0.493 4.396 3.960 -0.095 0.000 0.270 13 G C 0.813 175.692 174.900 -0.036 0.000 1.423 13 G CA -0.860 44.207 45.100 -0.054 0.000 1.055 13 G HN 0.354 nan 8.290 nan 0.000 0.536 14 L N 0.068 121.266 121.223 -0.042 0.000 2.093 14 L HA -0.048 4.235 4.340 -0.095 0.000 0.208 14 L C 3.335 180.207 176.870 0.003 0.000 1.085 14 L CA 1.297 56.132 54.840 -0.008 0.000 0.755 14 L CB -0.450 41.579 42.059 -0.051 0.000 0.904 14 L HN 0.573 nan 8.230 nan 0.000 0.435 15 A N 0.392 123.196 122.820 -0.026 0.000 1.865 15 A HA -0.154 4.109 4.320 -0.095 0.000 0.217 15 A C 2.403 179.964 177.584 -0.039 0.000 1.191 15 A CA 1.948 53.965 52.037 -0.035 0.000 0.623 15 A CB -1.386 17.587 19.000 -0.046 0.000 0.826 15 A HN 0.422 nan 8.150 nan 0.000 0.444 16 G N -1.941 106.813 108.800 -0.077 0.000 2.414 16 G HA2 -0.181 3.722 3.960 -0.095 0.000 0.215 16 G HA3 -0.181 3.722 3.960 -0.095 0.000 0.215 16 G C 1.489 176.367 174.900 -0.037 0.000 1.188 16 G CA 1.168 46.198 45.100 -0.116 0.000 0.783 16 G HN 0.457 nan 8.290 nan 0.000 0.537 17 Y N 1.236 121.534 120.300 -0.004 0.000 2.224 17 Y HA -0.055 4.436 4.550 -0.099 0.000 0.289 17 Y C 2.716 178.621 175.900 0.008 0.000 1.146 17 Y CA 1.150 59.255 58.100 0.007 0.000 1.182 17 Y CB -0.685 37.779 38.460 0.007 0.000 0.983 17 Y HN 0.222 nan 8.280 nan 0.000 0.524 18 N N -0.539 118.253 118.700 0.153 0.000 2.216 18 N HA -0.127 4.556 4.740 -0.095 0.000 0.183 18 N C 1.720 177.274 175.510 0.074 0.000 1.017 18 N CA 0.796 53.898 53.050 0.086 0.000 0.861 18 N CB -0.397 38.116 38.487 0.043 0.000 0.986 18 N HN 0.155 nan 8.380 nan 0.000 0.428 19 L N 1.138 122.392 121.223 0.051 0.000 1.989 19 L HA -0.116 4.167 4.340 -0.095 0.000 0.211 19 L C 2.043 178.981 176.870 0.112 0.000 1.071 19 L CA 1.705 56.568 54.840 0.039 0.000 0.749 19 L CB -0.929 41.108 42.059 -0.037 0.000 0.890 19 L HN 0.162 nan 8.230 nan 0.000 0.431 20 A N -0.318 122.579 122.820 0.128 0.000 1.883 20 A HA -0.297 3.967 4.320 -0.095 0.000 0.217 20 A C 2.542 180.273 177.584 0.245 0.000 1.186 20 A CA 2.118 54.286 52.037 0.219 0.000 0.624 20 A CB -0.730 18.398 19.000 0.215 0.000 0.822 20 A HN 0.571 nan 8.150 nan 0.000 0.444 21 R N -0.560 120.037 120.500 0.162 0.000 2.066 21 R HA -0.128 4.155 4.340 -0.095 0.000 0.232 21 R C 1.982 178.333 176.300 0.085 0.000 1.131 21 R CA 1.603 57.764 56.100 0.100 0.000 0.955 21 R CB -0.229 30.107 30.300 0.059 0.000 0.851 21 R HN 0.466 nan 8.270 nan 0.000 0.432 22 E N -0.316 119.943 120.200 0.098 0.000 2.110 22 E HA -0.233 4.060 4.350 -0.095 0.000 0.193 22 E C 1.547 178.213 176.600 0.110 0.000 0.988 22 E CA 1.120 57.568 56.400 0.079 0.000 0.804 22 E CB -0.372 29.370 29.700 0.070 0.000 0.745 22 E HN 0.506 nan 8.360 nan 0.000 0.458 23 W N 1.982 123.267 121.300 -0.026 0.000 2.381 23 W HA -0.085 4.518 4.660 -0.095 0.000 0.301 23 W C 1.949 178.455 176.519 -0.022 0.000 1.205 23 W CA 0.947 58.272 57.345 -0.033 0.000 1.285 23 W CB 0.048 29.481 29.460 -0.045 0.000 1.133 23 W HN -0.140 nan 8.180 nan 0.000 0.521 24 R N 0.900 121.349 120.500 -0.085 0.000 2.237 24 R HA -0.079 4.205 4.340 -0.095 0.000 0.219 24 R C 1.723 177.883 176.300 -0.234 0.000 1.080 24 R CA 1.048 56.986 56.100 -0.270 0.000 0.995 24 R CB -0.462 29.798 30.300 -0.066 0.000 0.875 24 R HN 0.356 nan 8.270 nan 0.000 0.462 25 K N -0.002 120.307 120.400 -0.151 0.000 2.365 25 K HA 0.007 4.270 4.320 -0.095 0.000 0.199 25 K C 1.762 178.262 176.600 -0.165 0.000 1.045 25 K CA 0.749 56.963 56.287 -0.121 0.000 0.962 25 K CB 0.195 32.657 32.500 -0.064 0.000 0.759 25 K HN 0.147 nan 8.250 nan 0.000 0.469 26 L N -0.650 120.417 121.223 -0.259 0.000 2.467 26 L HA 0.156 4.440 4.340 -0.095 0.000 0.213 26 L C 0.248 176.901 176.870 -0.362 0.000 1.053 26 L CA 0.030 54.719 54.840 -0.252 0.000 0.847 26 L CB 0.464 42.415 42.059 -0.181 0.000 1.075 26 L HN 0.004 nan 8.230 nan 0.000 0.479 27 D N 0.084 120.081 120.400 -0.672 0.000 2.476 27 D HA 0.302 4.885 4.640 -0.095 0.000 0.251 27 D C 0.305 176.174 176.300 -0.719 0.000 1.291 27 D CA -0.208 53.377 54.000 -0.691 0.000 0.939 27 D CB 2.024 42.334 40.800 -0.817 0.000 1.221 27 D HN 0.075 nan 8.370 nan 0.000 0.567 28 G N 2.457 111.033 108.800 -0.374 0.000 3.337 28 G HA2 0.070 3.973 3.960 -0.095 0.000 0.246 28 G HA3 0.070 3.973 3.960 -0.095 0.000 0.246 28 G C 0.832 175.642 174.900 -0.149 0.000 1.131 28 G CA -0.050 44.899 45.100 -0.252 0.000 0.773 28 G HN 0.446 nan 8.290 nan 0.000 0.544 29 E N -0.294 119.825 120.200 -0.135 0.000 2.288 29 E HA 0.048 4.342 4.350 -0.095 0.000 0.200 29 E C 0.408 177.022 176.600 0.023 0.000 0.880 29 E CA 0.048 56.423 56.400 -0.042 0.000 0.971 29 E CB 0.444 30.125 29.700 -0.032 0.000 0.954 29 E HN 0.166 nan 8.360 nan 0.000 0.489 30 T N 4.526 119.121 114.554 0.068 0.000 2.905 30 T HA 0.028 4.321 4.350 -0.095 0.000 0.299 30 T C -2.437 172.411 174.700 0.247 0.000 1.024 30 T CA -0.680 61.541 62.100 0.202 0.000 1.151 30 T CB 0.359 69.463 68.868 0.394 0.000 0.987 30 T HN -0.057 nan 8.240 nan 0.000 0.535 31 P HA 0.309 nan 4.420 nan 0.000 0.271 31 P C -0.850 176.560 177.300 0.184 0.000 1.218 31 P CA -0.622 62.569 63.100 0.150 0.000 0.780 31 P CB 0.452 32.209 31.700 0.095 0.000 0.901 32 L N 3.848 125.173 121.223 0.171 0.000 2.381 32 L HA 0.568 4.851 4.340 -0.095 0.000 0.274 32 L C -1.438 175.480 176.870 0.081 0.000 0.988 32 L CA -0.614 54.309 54.840 0.138 0.000 0.824 32 L CB 1.328 43.539 42.059 0.255 0.000 1.263 32 L HN 0.250 nan 8.230 nan 0.000 0.410 33 L N 5.718 126.961 121.223 0.034 0.000 2.341 33 L HA 0.648 4.931 4.340 -0.095 0.000 0.278 33 L C -1.297 175.575 176.870 0.004 0.000 1.005 33 L CA -0.489 54.368 54.840 0.029 0.000 0.818 33 L CB 1.568 43.644 42.059 0.028 0.000 1.259 33 L HN 0.752 nan 8.230 nan 0.000 0.418 34 M N 6.201 125.811 119.600 0.017 0.000 2.383 34 M HA 0.531 4.955 4.480 -0.095 0.000 0.325 34 M C -1.147 175.149 176.300 -0.006 0.000 1.092 34 M CA -0.492 54.802 55.300 -0.011 0.000 0.961 34 M CB 2.432 35.030 32.600 -0.003 0.000 1.672 34 M HN 0.474 nan 8.290 nan 0.000 0.438 35 I N 1.154 121.713 120.570 -0.019 0.000 2.533 35 I HA 0.542 4.655 4.170 -0.095 0.000 0.290 35 I C -0.393 175.723 176.117 -0.001 0.000 1.056 35 I CA -0.510 60.794 61.300 0.007 0.000 1.057 35 I CB 2.456 40.476 38.000 0.033 0.000 1.240 35 I HN 0.583 nan 8.210 nan 0.000 0.423 36 T N 3.067 117.619 114.554 -0.004 0.000 2.956 36 T HA 0.579 4.872 4.350 -0.095 0.000 0.312 36 T C 0.433 175.129 174.700 -0.007 0.000 1.151 36 T CA -0.038 62.056 62.100 -0.011 0.000 1.024 36 T CB 1.841 70.676 68.868 -0.054 0.000 1.140 36 T HN 0.658 nan 8.240 nan 0.000 0.473 37 A N 2.838 125.667 122.820 0.015 0.000 2.119 37 A HA 0.233 4.496 4.320 -0.095 0.000 0.216 37 A C 0.850 178.441 177.584 0.012 0.000 1.152 37 A CA 1.196 53.253 52.037 0.034 0.000 0.708 37 A CB -0.591 18.436 19.000 0.045 0.000 0.805 37 A HN 0.911 nan 8.150 nan 0.000 0.460 38 D N -0.686 119.682 120.400 -0.053 0.000 2.539 38 D HA 0.217 4.800 4.640 -0.095 0.000 0.280 38 D C 0.332 176.366 176.300 -0.443 0.000 1.208 38 D CA 0.044 53.977 54.000 -0.113 0.000 1.088 38 D CB -0.071 40.722 40.800 -0.011 0.000 1.149 38 D HN 0.121 nan 8.370 nan 0.000 0.596 39 D N -2.637 117.545 120.400 -0.365 0.000 2.371 39 D HA 0.101 4.684 4.640 -0.095 0.000 0.221 39 D C 1.600 177.799 176.300 -0.167 0.000 0.986 39 D CA 0.746 54.503 54.000 -0.404 0.000 0.899 39 D CB -0.508 40.269 40.800 -0.039 0.000 0.902 39 D HN 0.771 nan 8.370 nan 0.000 0.530 40 G N 0.112 108.863 108.800 -0.081 0.000 2.162 40 G HA2 -0.376 3.527 3.960 -0.095 0.000 0.260 40 G HA3 -0.376 3.527 3.960 -0.095 0.000 0.260 40 G C 0.234 175.248 174.900 0.190 0.000 0.976 40 G CA 0.060 45.187 45.100 0.046 0.000 0.655 40 G HN 0.474 nan 8.290 nan 0.000 0.533 41 R N 0.639 121.226 120.500 0.146 0.000 2.590 41 R HA 0.406 4.689 4.340 -0.095 0.000 0.274 41 R C 0.828 177.335 176.300 0.347 0.000 1.061 41 R CA 0.500 56.709 56.100 0.182 0.000 1.081 41 R CB 0.814 31.167 30.300 0.088 0.000 0.984 41 R HN 0.250 nan 8.270 nan 0.000 0.448 42 S N 3.046 118.907 115.700 0.268 0.000 2.531 42 S HA 0.283 4.696 4.470 -0.095 0.000 0.279 42 S C -0.988 173.804 174.600 0.320 0.000 1.305 42 S CA -0.328 58.024 58.200 0.253 0.000 1.058 42 S CB 0.186 63.340 63.200 -0.075 0.000 0.899 42 S HN 0.523 nan 8.310 nan 0.000 0.493 43 Y N 0.564 120.921 120.300 0.094 0.000 2.687 43 Y HA 0.531 5.034 4.550 -0.079 0.000 0.338 43 Y C -1.247 174.687 175.900 0.057 0.000 1.189 43 Y CA -1.094 57.042 58.100 0.059 0.000 1.097 43 Y CB 0.394 38.890 38.460 0.059 0.000 1.342 43 Y HN 0.350 nan 8.280 nan 0.000 0.461 44 S N 3.383 118.957 115.700 -0.210 0.000 2.404 44 S HA 0.217 4.630 4.470 -0.095 0.000 0.309 44 S C 0.800 175.216 174.600 -0.306 0.000 1.076 44 S CA -0.892 57.135 58.200 -0.288 0.000 1.095 44 S CB 1.382 64.519 63.200 -0.106 0.000 0.972 44 S HN 0.782 nan 8.310 nan 0.000 0.484 45 K N 3.883 123.987 120.400 -0.494 0.000 2.089 45 K HA -0.136 4.127 4.320 -0.095 0.000 0.210 45 K C -1.103 175.453 176.600 -0.072 0.000 1.048 45 K CA 1.513 57.694 56.287 -0.176 0.000 0.926 45 K CB -0.828 31.596 32.500 -0.126 0.000 0.714 45 K HN 0.367 nan 8.250 nan 0.000 0.448 46 P HA -0.190 nan 4.420 nan 0.000 0.217 46 P C 1.014 178.255 177.300 -0.098 0.000 1.151 46 P CA 1.363 64.410 63.100 -0.088 0.000 0.849 46 P CB 0.009 31.668 31.700 -0.068 0.000 0.787 47 M N -1.908 117.650 119.600 -0.069 0.000 2.557 47 M HA -0.014 4.409 4.480 -0.095 0.000 0.259 47 M C 1.904 178.138 176.300 -0.110 0.000 1.086 47 M CA 0.968 56.233 55.300 -0.058 0.000 1.096 47 M CB -1.563 31.029 32.600 -0.014 0.000 1.424 47 M HN 0.031 nan 8.290 nan 0.000 0.488 48 L N 0.075 121.207 121.223 -0.151 0.000 2.127 48 L HA -0.207 4.077 4.340 -0.095 0.000 0.211 48 L C 2.124 178.851 176.870 -0.240 0.000 1.089 48 L CA 1.524 56.154 54.840 -0.351 0.000 0.757 48 L CB -0.942 41.019 42.059 -0.163 0.000 0.899 48 L HN 0.403 nan 8.230 nan 0.000 0.434 49 S N -2.452 113.082 115.700 -0.276 0.000 2.634 49 S HA 0.006 4.419 4.470 -0.095 0.000 0.221 49 S C 1.276 175.846 174.600 -0.049 0.000 0.952 49 S CA 0.375 58.368 58.200 -0.344 0.000 0.930 49 S CB -0.299 62.460 63.200 -0.735 0.000 0.780 49 S HN 0.523 nan 8.310 nan 0.000 0.498 50 T N -4.009 110.548 114.554 0.005 0.000 3.111 50 T HA 0.405 4.698 4.350 -0.095 0.000 0.284 50 T C 1.680 176.457 174.700 0.129 0.000 0.983 50 T CA 0.308 62.452 62.100 0.073 0.000 0.900 50 T CB 0.121 69.004 68.868 0.024 0.000 1.132 50 T HN 0.269 nan 8.240 nan 0.000 0.531 51 G N 1.166 110.054 108.800 0.146 0.000 2.440 51 G HA2 -0.060 3.843 3.960 -0.095 0.000 0.218 51 G HA3 -0.060 3.843 3.960 -0.095 0.000 0.218 51 G C 1.013 175.969 174.900 0.092 0.000 1.154 51 G CA 0.543 45.715 45.100 0.120 0.000 0.767 51 G HN 0.505 nan 8.290 nan 0.000 0.552 52 F N 1.941 122.055 119.950 0.273 0.000 2.163 52 F HA -0.053 4.418 4.527 -0.094 0.000 0.297 52 F C 3.178 179.062 175.800 0.140 0.000 1.094 52 F CA 1.497 59.627 58.000 0.217 0.000 1.290 52 F CB -0.158 38.995 39.000 0.256 0.000 1.017 52 F HN 0.225 nan 8.300 nan 0.000 0.483 53 S N -0.338 115.542 115.700 0.299 0.000 2.447 53 S HA -0.143 4.270 4.470 -0.095 0.000 0.233 53 S C 1.466 176.141 174.600 0.124 0.000 1.006 53 S CA 0.887 59.195 58.200 0.180 0.000 0.957 53 S CB -0.433 62.851 63.200 0.141 0.000 0.773 53 S HN 0.354 nan 8.310 nan 0.000 0.507 54 K N 1.005 121.474 120.400 0.114 0.000 2.397 54 K HA 0.288 4.551 4.320 -0.095 0.000 0.202 54 K C -0.448 176.191 176.600 0.065 0.000 1.022 54 K CA -0.019 56.312 56.287 0.075 0.000 1.141 54 K CB -0.167 32.369 32.500 0.060 0.000 0.857 54 K HN 0.454 nan 8.250 nan 0.000 0.514 55 N N 1.506 120.254 118.700 0.080 0.000 2.735 55 N HA -0.180 4.503 4.740 -0.095 0.000 0.248 55 N C -1.157 174.369 175.510 0.026 0.000 1.083 55 N CA 0.697 53.782 53.050 0.060 0.000 0.703 55 N CB -0.456 38.062 38.487 0.053 0.000 1.005 55 N HN 0.059 nan 8.380 nan 0.000 0.550 56 K N 1.114 121.520 120.400 0.009 0.000 2.164 56 K HA 0.255 4.518 4.320 -0.095 0.000 0.258 56 K C 0.205 176.783 176.600 -0.036 0.000 0.951 56 K CA -0.627 55.665 56.287 0.009 0.000 0.844 56 K CB 1.440 33.966 32.500 0.043 0.000 1.099 56 K HN 0.181 nan 8.250 nan 0.000 0.435 57 D N 0.285 120.674 120.400 -0.018 0.000 2.506 57 D HA 0.208 4.791 4.640 -0.095 0.000 0.272 57 D C 0.852 177.191 176.300 0.065 0.000 1.214 57 D CA -0.521 53.457 54.000 -0.036 0.000 1.067 57 D CB 0.592 41.366 40.800 -0.044 0.000 1.117 57 D HN 0.315 nan 8.370 nan 0.000 0.578 58 A N 0.151 123.014 122.820 0.070 0.000 1.883 58 A HA -0.223 4.040 4.320 -0.095 0.000 0.217 58 A C 1.695 179.324 177.584 0.076 0.000 1.186 58 A CA 1.975 54.101 52.037 0.149 0.000 0.624 58 A CB -0.771 18.292 19.000 0.104 0.000 0.822 58 A HN 0.605 nan 8.150 nan 0.000 0.444 59 D N -0.458 119.966 120.400 0.040 0.000 2.178 59 D HA -0.071 4.512 4.640 -0.095 0.000 0.201 59 D C 2.009 178.332 176.300 0.039 0.000 0.980 59 D CA 1.317 55.336 54.000 0.031 0.000 0.842 59 D CB -0.649 40.163 40.800 0.020 0.000 0.948 59 D HN 0.465 nan 8.370 nan 0.000 0.472 60 G N 0.343 109.168 108.800 0.042 0.000 2.471 60 G HA2 -0.152 3.751 3.960 -0.095 0.000 0.219 60 G HA3 -0.152 3.751 3.960 -0.095 0.000 0.219 60 G C 1.619 176.553 174.900 0.058 0.000 1.125 60 G CA 0.139 45.265 45.100 0.043 0.000 0.775 60 G HN 0.278 nan 8.290 nan 0.000 0.548 61 L N 0.419 121.688 121.223 0.077 0.000 2.446 61 L HA 0.283 4.566 4.340 -0.095 0.000 0.219 61 L C 1.798 178.746 176.870 0.129 0.000 1.116 61 L CA -0.178 54.722 54.840 0.101 0.000 0.844 61 L CB -0.144 41.985 42.059 0.117 0.000 0.970 61 L HN 0.183 nan 8.230 nan 0.000 0.457 62 A N 0.114 122.991 122.820 0.095 0.000 2.454 62 A HA 0.266 4.529 4.320 -0.095 0.000 0.260 62 A C 1.012 178.648 177.584 0.086 0.000 1.106 62 A CA -0.043 52.056 52.037 0.103 0.000 0.780 62 A CB 0.419 19.454 19.000 0.057 0.000 1.044 62 A HN 0.271 nan 8.150 nan 0.000 0.498 63 M N 1.603 121.260 119.600 0.095 0.000 2.534 63 M HA 0.274 4.697 4.480 -0.095 0.000 0.263 63 M C 0.679 176.993 176.300 0.023 0.000 1.152 63 M CA 1.169 56.498 55.300 0.049 0.000 1.145 63 M CB 0.241 32.863 32.600 0.037 0.000 1.333 63 M HN 0.809 nan 8.290 nan 0.000 0.477 64 A N 0.100 122.936 122.820 0.027 0.000 2.594 64 A HA 0.532 4.795 4.320 -0.095 0.000 0.296 64 A C -1.027 176.573 177.584 0.026 0.000 1.061 64 A CA -0.932 51.107 52.037 0.004 0.000 0.689 64 A CB 1.247 20.220 19.000 -0.045 0.000 1.280 64 A HN 0.057 nan 8.150 nan 0.000 0.406 65 E N 2.015 122.230 120.200 0.026 0.000 2.374 65 E HA 0.241 4.534 4.350 -0.095 0.000 0.260 65 E C -1.485 175.145 176.600 0.050 0.000 1.101 65 E CA -1.646 54.779 56.400 0.043 0.000 0.907 65 E CB 0.619 30.341 29.700 0.037 0.000 1.014 65 E HN 0.429 nan 8.360 nan 0.000 0.427 66 P HA -0.126 nan 4.420 nan 0.000 0.218 66 P C 1.248 178.597 177.300 0.081 0.000 1.149 66 P CA 1.255 64.423 63.100 0.112 0.000 0.817 66 P CB 0.156 31.921 31.700 0.109 0.000 0.785 67 G N 0.670 109.506 108.800 0.059 0.000 2.442 67 G HA2 -0.238 3.665 3.960 -0.095 0.000 0.219 67 G HA3 -0.238 3.665 3.960 -0.095 0.000 0.219 67 G C 1.810 176.730 174.900 0.033 0.000 1.141 67 G CA 1.075 46.203 45.100 0.047 0.000 0.763 67 G HN 0.373 nan 8.290 nan 0.000 0.554 68 A N 0.567 123.399 122.820 0.020 0.000 1.898 68 A HA 0.074 4.337 4.320 -0.095 0.000 0.216 68 A C 2.433 180.008 177.584 -0.015 0.000 1.181 68 A CA 1.847 53.885 52.037 0.001 0.000 0.620 68 A CB -0.318 18.678 19.000 -0.007 0.000 0.819 68 A HN 0.275 nan 8.150 nan 0.000 0.442 69 M N -0.125 119.456 119.600 -0.032 0.000 2.149 69 M HA -0.137 4.286 4.480 -0.095 0.000 0.261 69 M C 2.459 178.769 176.300 0.015 0.000 1.064 69 M CA 1.563 56.820 55.300 -0.072 0.000 1.102 69 M CB -1.608 30.896 32.600 -0.160 0.000 1.369 69 M HN 0.489 nan 8.290 nan 0.000 0.408 70 A N 0.154 123.006 122.820 0.055 0.000 1.972 70 A HA -0.178 4.085 4.320 -0.095 0.000 0.219 70 A C 2.102 179.714 177.584 0.047 0.000 1.169 70 A CA 1.708 53.787 52.037 0.070 0.000 0.635 70 A CB -0.609 18.433 19.000 0.069 0.000 0.810 70 A HN 0.606 nan 8.150 nan 0.000 0.446 71 E N -0.534 119.683 120.200 0.028 0.000 2.046 71 E HA -0.195 4.098 4.350 -0.095 0.000 0.190 71 E C 2.291 178.897 176.600 0.010 0.000 0.982 71 E CA 1.219 57.630 56.400 0.018 0.000 0.800 71 E CB -0.224 29.482 29.700 0.010 0.000 0.756 71 E HN 0.727 nan 8.360 nan 0.000 0.449 72 Q N 0.323 120.122 119.800 -0.001 0.000 2.084 72 Q HA -0.108 4.175 4.340 -0.095 0.000 0.202 72 Q C 1.932 177.935 176.000 0.005 0.000 0.978 72 Q CA 1.048 56.845 55.803 -0.010 0.000 0.844 72 Q CB 0.038 28.754 28.738 -0.036 0.000 0.898 72 Q HN 0.275 nan 8.270 nan 0.000 0.426 73 L N 0.307 121.548 121.223 0.030 0.000 2.607 73 L HA 0.109 4.392 4.340 -0.095 0.000 0.228 73 L C -0.206 176.709 176.870 0.074 0.000 1.123 73 L CA -0.357 54.522 54.840 0.065 0.000 0.890 73 L CB 0.046 42.174 42.059 0.115 0.000 1.103 73 L HN 0.180 nan 8.230 nan 0.000 0.468 74 N N 1.343 120.074 118.700 0.051 0.000 2.705 74 N HA -0.178 4.505 4.740 -0.095 0.000 0.255 74 N C -0.179 175.379 175.510 0.081 0.000 1.008 74 N CA 0.965 54.046 53.050 0.051 0.000 0.742 74 N CB -0.613 37.892 38.487 0.030 0.000 0.906 74 N HN 0.451 nan 8.380 nan 0.000 0.541 75 A N 0.362 123.236 122.820 0.089 0.000 2.423 75 A HA 0.711 4.974 4.320 -0.095 0.000 0.304 75 A C 0.150 177.784 177.584 0.084 0.000 1.104 75 A CA -0.793 51.306 52.037 0.103 0.000 0.757 75 A CB 1.751 20.830 19.000 0.130 0.000 1.313 75 A HN 0.312 nan 8.150 nan 0.000 0.423 76 R N 1.395 121.942 120.500 0.077 0.000 2.207 76 R HA 0.596 4.879 4.340 -0.095 0.000 0.334 76 R C -1.492 174.848 176.300 0.067 0.000 1.013 76 R CA -0.232 55.908 56.100 0.066 0.000 0.858 76 R CB 0.232 30.566 30.300 0.056 0.000 1.094 76 R HN 0.634 nan 8.270 nan 0.000 0.457 77 I N 6.802 127.414 120.570 0.071 0.000 2.354 77 I HA 0.219 4.332 4.170 -0.095 0.000 0.286 77 I C -0.364 175.786 176.117 0.054 0.000 1.007 77 I CA -0.708 60.633 61.300 0.070 0.000 1.167 77 I CB 1.594 39.658 38.000 0.106 0.000 1.320 77 I HN 0.454 nan 8.210 nan 0.000 0.458 78 L N 6.706 127.954 121.223 0.042 0.000 2.260 78 L HA 0.368 4.651 4.340 -0.095 0.000 0.289 78 L C 0.588 177.472 176.870 0.023 0.000 1.057 78 L CA -0.354 54.511 54.840 0.041 0.000 0.811 78 L CB 0.868 42.955 42.059 0.046 0.000 1.184 78 L HN 0.621 nan 8.230 nan 0.000 0.429 79 T N -1.769 112.796 114.554 0.019 0.000 2.929 79 T HA 0.342 4.635 4.350 -0.095 0.000 0.284 79 T C 0.284 174.983 174.700 -0.002 0.000 1.014 79 T CA -0.596 61.469 62.100 -0.059 0.000 1.051 79 T CB 0.851 69.659 68.868 -0.100 0.000 1.028 79 T HN 0.764 nan 8.240 nan 0.000 0.485 80 H N -1.170 117.925 119.070 0.042 0.000 2.655 80 H HA -0.119 4.445 4.556 0.013 0.000 0.313 80 H C -0.499 174.851 175.328 0.037 0.000 1.141 80 H CA 0.891 56.961 56.048 0.036 0.000 1.138 80 H CB -2.041 27.739 29.762 0.031 0.000 1.446 80 H HN 0.729 nan 8.280 nan 0.000 0.415 81 T N 1.333 115.947 114.554 0.100 0.000 2.864 81 T HA 0.356 4.649 4.350 -0.095 0.000 0.299 81 T C 0.326 175.071 174.700 0.074 0.000 1.011 81 T CA -0.903 61.248 62.100 0.085 0.000 0.975 81 T CB 1.188 70.099 68.868 0.072 0.000 0.962 81 T HN 0.238 nan 8.240 nan 0.000 0.448 82 R N 2.307 122.851 120.500 0.073 0.000 2.207 82 R HA 0.460 4.743 4.340 -0.095 0.000 0.334 82 R C -0.370 175.977 176.300 0.078 0.000 1.013 82 R CA -0.665 55.472 56.100 0.062 0.000 0.858 82 R CB 1.184 31.509 30.300 0.042 0.000 1.094 82 R HN 0.366 nan 8.270 nan 0.000 0.457 83 V N 3.229 123.199 119.914 0.093 0.000 2.572 83 V HA -0.002 4.061 4.120 -0.095 0.000 0.291 83 V C 1.418 177.576 176.094 0.106 0.000 1.039 83 V CA 0.586 62.966 62.300 0.133 0.000 1.055 83 V CB 1.254 33.192 31.823 0.192 0.000 0.969 83 V HN 0.940 nan 8.190 nan 0.000 0.482 84 T N 0.387 115.031 114.554 0.149 0.000 3.040 84 T HA 0.503 4.796 4.350 -0.095 0.000 0.266 84 T C 0.489 175.290 174.700 0.168 0.000 1.005 84 T CA 0.331 62.498 62.100 0.112 0.000 0.906 84 T CB 0.545 69.466 68.868 0.088 0.000 1.082 84 T HN 1.051 nan 8.240 nan 0.000 0.531 85 G N 0.619 109.591 108.800 0.287 0.000 2.579 85 G HA2 0.576 4.479 3.960 -0.095 0.000 0.292 85 G HA3 0.576 4.479 3.960 -0.095 0.000 0.292 85 G C -2.066 173.043 174.900 0.348 0.000 1.484 85 G CA -1.000 44.324 45.100 0.373 0.000 0.813 85 G HN 0.319 nan 8.290 nan 0.000 0.515 86 I N 0.764 121.504 120.570 0.283 0.000 2.465 86 I HA 0.350 4.463 4.170 -0.095 0.000 0.291 86 I C -1.185 175.013 176.117 0.134 0.000 1.014 86 I CA -0.673 60.723 61.300 0.160 0.000 1.093 86 I CB 2.511 40.598 38.000 0.144 0.000 1.267 86 I HN 0.372 nan 8.210 nan 0.000 0.431 87 D N 8.152 128.570 120.400 0.030 0.000 2.551 87 D HA 0.303 4.886 4.640 -0.095 0.000 0.294 87 D C -1.906 174.394 176.300 0.001 0.000 1.201 87 D CA -2.167 51.873 54.000 0.066 0.000 0.941 87 D CB 1.187 41.972 40.800 -0.024 0.000 0.995 87 D HN 0.141 nan 8.370 nan 0.000 0.502 88 P HA -0.006 nan 4.420 nan 0.000 0.220 88 P C 1.399 178.549 177.300 -0.250 0.000 1.148 88 P CA 0.714 63.612 63.100 -0.338 0.000 0.803 88 P CB 0.322 31.525 31.700 -0.829 0.000 0.782 89 G N -1.493 107.226 108.800 -0.136 0.000 2.534 89 G HA2 -0.167 3.736 3.960 -0.095 0.000 0.217 89 G HA3 -0.167 3.736 3.960 -0.095 0.000 0.217 89 G C 1.020 175.664 174.900 -0.428 0.000 1.128 89 G CA 0.532 45.508 45.100 -0.207 0.000 0.784 89 G HN 0.391 nan 8.290 nan 0.000 0.542 90 H N -0.685 118.335 119.070 -0.084 0.000 2.785 90 H HA 0.183 4.683 4.556 -0.095 0.000 0.268 90 H C 0.350 175.520 175.328 -0.265 0.000 1.153 90 H CA -0.069 55.900 56.048 -0.131 0.000 1.111 90 H CB 0.460 30.157 29.762 -0.108 0.000 1.633 90 H HN 0.370 nan 8.280 nan 0.000 0.576 91 Q N 1.234 120.879 119.800 -0.258 0.000 2.435 91 Q HA -0.227 4.056 4.340 -0.095 0.000 0.312 91 Q C -0.135 175.218 176.000 -1.079 0.000 1.333 91 Q CA 0.729 56.088 55.803 -0.740 0.000 0.883 91 Q CB -1.126 27.237 28.738 -0.625 0.000 1.170 91 Q HN 0.669 nan 8.270 nan 0.000 0.443 92 R N -0.651 119.511 120.500 -0.562 0.000 2.799 92 R HA 0.862 5.146 4.340 -0.095 0.000 0.270 92 R C -0.493 175.673 176.300 -0.223 0.000 1.010 92 R CA -1.064 54.790 56.100 -0.409 0.000 0.916 92 R CB 1.529 31.535 30.300 -0.490 0.000 1.228 92 R HN 0.183 nan 8.270 nan 0.000 0.469 93 I N -2.745 117.688 120.570 -0.228 0.000 2.957 93 I HA 0.694 4.807 4.170 -0.095 0.000 0.310 93 I C -1.364 174.538 176.117 -0.359 0.000 1.063 93 I CA -1.334 59.840 61.300 -0.210 0.000 1.033 93 I CB 1.920 39.942 38.000 0.037 0.000 1.230 93 I HN 0.604 nan 8.210 nan 0.000 0.447 94 W N 3.380 124.732 121.300 0.087 0.000 2.606 94 W HA 0.722 5.323 4.660 -0.098 0.000 0.332 94 W C -0.798 175.754 176.519 0.056 0.000 1.052 94 W CA -0.568 56.811 57.345 0.057 0.000 1.223 94 W CB 1.858 31.342 29.460 0.040 0.000 1.383 94 W HN 0.235 nan 8.180 nan 0.000 0.524 95 I N 4.274 125.030 120.570 0.311 0.000 2.623 95 I HA 0.370 4.483 4.170 -0.095 0.000 0.275 95 I C 0.874 177.089 176.117 0.163 0.000 1.108 95 I CA -0.047 61.367 61.300 0.189 0.000 1.120 95 I CB 0.604 38.685 38.000 0.135 0.000 1.249 95 I HN 0.834 nan 8.210 nan 0.000 0.500 96 G N 4.677 113.555 108.800 0.129 0.000 2.675 96 G HA2 -0.312 3.591 3.960 -0.095 0.000 0.312 96 G HA3 -0.312 3.591 3.960 -0.095 0.000 0.312 96 G C 0.620 175.552 174.900 0.053 0.000 1.186 96 G CA 0.515 45.655 45.100 0.066 0.000 0.965 96 G HN 0.582 nan 8.290 nan 0.000 0.548 97 E N 1.703 121.941 120.200 0.062 0.000 2.603 97 E HA 0.238 4.531 4.350 -0.095 0.000 0.211 97 E C 0.376 177.063 176.600 0.144 0.000 0.995 97 E CA -0.059 56.372 56.400 0.052 0.000 0.990 97 E CB 0.505 30.207 29.700 0.003 0.000 1.036 97 E HN 0.647 nan 8.360 nan 0.000 0.475 98 E N 1.182 121.495 120.200 0.189 0.000 2.254 98 E HA 0.272 4.565 4.350 -0.095 0.000 0.261 98 E C -0.120 176.652 176.600 0.287 0.000 1.051 98 E CA -0.451 56.062 56.400 0.189 0.000 0.902 98 E CB 1.233 31.008 29.700 0.124 0.000 1.168 98 E HN 0.108 nan 8.360 nan 0.000 0.423 99 E N -1.221 119.070 120.200 0.152 0.000 2.429 99 E HA 0.638 4.931 4.350 -0.095 0.000 0.276 99 E C -1.507 175.065 176.600 -0.046 0.000 0.953 99 E CA -0.953 55.444 56.400 -0.006 0.000 0.787 99 E CB 1.807 31.401 29.700 -0.177 0.000 1.307 99 E HN 0.126 nan 8.360 nan 0.000 0.458 100 V N 1.132 120.980 119.914 -0.110 0.000 2.612 100 V HA 0.415 4.478 4.120 -0.095 0.000 0.301 100 V C -0.607 175.431 176.094 -0.092 0.000 1.059 100 V CA -0.846 61.422 62.300 -0.053 0.000 0.886 100 V CB 1.734 33.563 31.823 0.011 0.000 1.007 100 V HN 0.619 nan 8.190 nan 0.000 0.426 101 R N 3.577 124.015 120.500 -0.103 0.000 2.357 101 R HA 0.445 4.728 4.340 -0.095 0.000 0.296 101 R C -1.257 174.992 176.300 -0.086 0.000 1.052 101 R CA -0.162 55.829 56.100 -0.182 0.000 0.988 101 R CB 1.306 31.512 30.300 -0.157 0.000 1.025 101 R HN 0.754 nan 8.270 nan 0.000 0.469 102 Y N 0.560 120.821 120.300 -0.065 0.000 2.562 102 Y HA 0.470 4.963 4.550 -0.095 0.000 0.343 102 Y C 0.965 176.843 175.900 -0.036 0.000 1.025 102 Y CA -1.309 56.758 58.100 -0.054 0.000 1.082 102 Y CB 1.022 39.441 38.460 -0.069 0.000 1.264 102 Y HN 0.494 nan 8.280 nan 0.000 0.478 103 R N 0.188 120.812 120.500 0.206 0.000 2.057 103 R HA 0.105 4.388 4.340 -0.095 0.000 0.224 103 R C -0.828 175.623 176.300 0.252 0.000 1.136 103 R CA 1.262 57.451 56.100 0.149 0.000 0.968 103 R CB 0.112 30.464 30.300 0.086 0.000 0.863 103 R HN 0.933 nan 8.270 nan 0.000 0.433 104 D N 0.307 120.831 120.400 0.206 0.000 2.732 104 D HA 0.203 4.786 4.640 -0.095 0.000 0.229 104 D C -1.528 174.687 176.300 -0.142 0.000 1.152 104 D CA -0.587 53.498 54.000 0.142 0.000 0.854 104 D CB 2.506 43.370 40.800 0.107 0.000 1.590 104 D HN -0.019 nan 8.370 nan 0.000 0.468 105 L N 1.592 122.543 121.223 -0.454 0.000 2.317 105 L HA 0.471 4.754 4.340 -0.095 0.000 0.281 105 L C -1.310 175.361 176.870 -0.333 0.000 1.024 105 L CA -0.521 53.914 54.840 -0.676 0.000 0.810 105 L CB 1.732 43.020 42.059 -1.285 0.000 1.240 105 L HN 0.140 nan 8.230 nan 0.000 0.427 106 V N 6.346 126.073 119.914 -0.313 0.000 2.409 106 V HA 0.385 4.449 4.120 -0.095 0.000 0.291 106 V C -0.141 175.749 176.094 -0.340 0.000 1.020 106 V CA -0.589 61.557 62.300 -0.258 0.000 0.848 106 V CB 1.468 33.144 31.823 -0.245 0.000 0.990 106 V HN 0.579 nan 8.190 nan 0.000 0.430 107 L N 4.559 125.522 121.223 -0.434 0.000 2.268 107 L HA 0.638 4.921 4.340 -0.095 0.000 0.289 107 L C 0.715 177.266 176.870 -0.531 0.000 1.064 107 L CA -0.129 54.273 54.840 -0.731 0.000 0.824 107 L CB 0.961 42.352 42.059 -1.114 0.000 1.202 107 L HN 0.754 nan 8.230 nan 0.000 0.433 108 A N 3.158 125.762 122.820 -0.360 0.000 2.812 108 A HA 0.207 4.470 4.320 -0.095 0.000 0.294 108 A C 0.282 177.858 177.584 -0.013 0.000 1.014 108 A CA -0.593 51.340 52.037 -0.173 0.000 1.024 108 A CB -0.196 18.724 19.000 -0.133 0.000 1.162 108 A HN 0.869 nan 8.150 nan 0.000 0.511 109 W N -0.806 120.476 121.300 -0.031 0.000 3.388 109 W HA 0.489 5.092 4.660 -0.095 0.000 0.324 109 W C 0.573 177.091 176.519 -0.002 0.000 1.250 109 W CA -1.026 56.307 57.345 -0.019 0.000 1.809 109 W CB -1.264 28.189 29.460 -0.013 0.000 1.083 109 W HN 0.957 nan 8.180 nan 0.000 0.685 110 G N 1.380 110.380 108.800 0.333 0.000 2.598 110 G HA2 0.180 4.083 3.960 -0.095 0.000 0.244 110 G HA3 0.180 4.083 3.960 -0.095 0.000 0.244 110 G C -0.208 174.810 174.900 0.197 0.000 1.302 110 G CA 0.589 45.811 45.100 0.204 0.000 0.903 110 G HN 1.055 nan 8.290 nan 0.000 0.575 111 A N -0.657 122.237 122.820 0.122 0.000 2.386 111 A HA 0.863 5.126 4.320 -0.095 0.000 0.308 111 A C -0.256 177.365 177.584 0.062 0.000 1.128 111 A CA 0.624 52.715 52.037 0.091 0.000 0.789 111 A CB 1.965 21.014 19.000 0.083 0.000 1.325 111 A HN 1.331 nan 8.150 nan 0.000 0.437 112 E N 0.610 120.834 120.200 0.040 0.000 2.212 112 E HA 0.612 4.905 4.350 -0.095 0.000 0.268 112 E C -2.771 173.847 176.600 0.030 0.000 0.902 112 E CA -2.096 54.318 56.400 0.022 0.000 0.779 112 E CB 1.649 31.343 29.700 -0.009 0.000 1.172 112 E HN 0.345 nan 8.360 nan 0.000 0.409 113 P HA 0.044 nan 4.420 nan 0.000 0.267 113 P C -0.588 176.725 177.300 0.021 0.000 1.200 113 P CA 0.327 63.447 63.100 0.035 0.000 0.772 113 P CB 0.390 32.110 31.700 0.034 0.000 0.855 114 I N 3.371 123.955 120.570 0.024 0.000 2.396 114 I HA 0.152 4.265 4.170 -0.095 0.000 0.289 114 I C 1.169 177.291 176.117 0.009 0.000 1.056 114 I CA -0.054 61.255 61.300 0.014 0.000 1.365 114 I CB 0.292 38.303 38.000 0.018 0.000 1.407 114 I HN 0.110 nan 8.210 nan 0.000 0.509 115 R N 5.244 125.745 120.500 0.000 0.000 2.368 115 R HA 0.558 4.841 4.340 -0.095 0.000 0.302 115 R C -0.854 175.443 176.300 -0.005 0.000 1.002 115 R CA -0.698 55.399 56.100 -0.005 0.000 0.929 115 R CB 2.312 32.603 30.300 -0.014 0.000 1.073 115 R HN 0.371 nan 8.270 nan 0.000 0.464 116 V N 4.801 124.712 119.914 -0.004 0.000 2.581 116 V HA 0.416 4.479 4.120 -0.095 0.000 0.303 116 V C -2.066 174.023 176.094 -0.007 0.000 1.041 116 V CA -2.436 59.863 62.300 -0.002 0.000 0.907 116 V CB 2.154 33.979 31.823 0.005 0.000 0.994 116 V HN 0.671 nan 8.190 nan 0.000 0.442 117 P HA 0.293 nan 4.420 nan 0.000 0.276 117 P C -1.218 176.077 177.300 -0.009 0.000 1.243 117 P CA 0.107 63.200 63.100 -0.010 0.000 0.768 117 P CB 1.148 32.842 31.700 -0.009 0.000 0.856 118 V N 3.280 123.186 119.914 -0.013 0.000 2.760 118 V HA 0.332 4.395 4.120 -0.095 0.000 0.309 118 V C 0.310 176.394 176.094 -0.016 0.000 1.077 118 V CA -0.669 61.625 62.300 -0.011 0.000 0.910 118 V CB 2.361 34.178 31.823 -0.010 0.000 1.008 118 V HN 0.517 nan 8.190 nan 0.000 0.424 119 E N 1.496 121.685 120.200 -0.018 0.000 2.285 119 E HA 0.789 5.082 4.350 -0.095 0.000 0.254 119 E C 0.165 176.747 176.600 -0.029 0.000 1.011 119 E CA -0.155 56.229 56.400 -0.027 0.000 0.873 119 E CB 1.958 31.638 29.700 -0.034 0.000 1.229 119 E HN 1.184 nan 8.360 nan 0.000 0.422 120 G N 1.318 110.095 108.800 -0.038 0.000 2.663 120 G HA2 -0.193 3.710 3.960 -0.095 0.000 0.686 120 G HA3 -0.193 3.710 3.960 -0.095 0.000 0.686 120 G C -0.064 174.820 174.900 -0.027 0.000 1.288 120 G CA -0.084 44.993 45.100 -0.039 0.000 0.836 120 G HN 0.720 nan 8.290 nan 0.000 0.584 121 D N -0.952 119.434 120.400 -0.023 0.000 2.371 121 D HA 0.337 4.920 4.640 -0.095 0.000 0.221 121 D C 1.732 178.025 176.300 -0.013 0.000 0.986 121 D CA 1.669 55.658 54.000 -0.017 0.000 0.899 121 D CB -0.016 40.775 40.800 -0.015 0.000 0.902 121 D HN 1.346 nan 8.370 nan 0.000 0.530 122 A N 0.423 123.238 122.820 -0.008 0.000 2.538 122 A HA 0.059 4.322 4.320 -0.095 0.000 0.269 122 A C 1.783 179.358 177.584 -0.014 0.000 1.231 122 A CA 0.016 52.050 52.037 -0.005 0.000 0.948 122 A CB -0.454 18.552 19.000 0.011 0.000 1.110 122 A HN 0.267 nan 8.150 nan 0.000 0.529 123 Q N -0.179 119.609 119.800 -0.020 0.000 2.515 123 Q HA -0.177 4.106 4.340 -0.095 0.000 0.215 123 Q C 0.020 175.995 176.000 -0.042 0.000 0.983 123 Q CA 1.617 57.405 55.803 -0.025 0.000 0.905 123 Q CB -0.191 28.532 28.738 -0.025 0.000 0.961 123 Q HN 0.440 nan 8.270 nan 0.000 0.503 124 D N 0.649 121.016 120.400 -0.054 0.000 2.389 124 D HA 0.135 4.718 4.640 -0.095 0.000 0.206 124 D C 0.453 176.667 176.300 -0.144 0.000 1.055 124 D CA 0.586 54.534 54.000 -0.086 0.000 0.856 124 D CB 0.364 41.118 40.800 -0.076 0.000 0.957 124 D HN 0.375 nan 8.370 nan 0.000 0.509 125 A N 1.280 124.031 122.820 -0.115 0.000 2.478 125 A HA 0.185 4.448 4.320 -0.095 0.000 0.239 125 A C 0.372 177.854 177.584 -0.171 0.000 1.480 125 A CA 0.135 52.081 52.037 -0.152 0.000 1.308 125 A CB -1.074 17.927 19.000 0.002 0.000 0.899 125 A HN 0.141 nan 8.150 nan 0.000 0.600 126 L N -0.120 120.952 121.223 -0.252 0.000 2.296 126 L HA 0.421 4.704 4.340 -0.095 0.000 0.286 126 L C -1.075 175.636 176.870 -0.266 0.000 1.023 126 L CA -0.726 54.033 54.840 -0.136 0.000 0.812 126 L CB 1.097 43.114 42.059 -0.069 0.000 1.223 126 L HN 0.372 nan 8.230 nan 0.000 0.421 127 Y N 3.927 124.236 120.300 0.014 0.000 2.369 127 Y HA 0.334 4.822 4.550 -0.105 0.000 0.337 127 Y C -2.013 173.869 175.900 -0.031 0.000 0.961 127 Y CA -2.326 55.789 58.100 0.025 0.000 1.186 127 Y CB 1.077 39.606 38.460 0.116 0.000 1.139 127 Y HN 0.380 nan 8.280 nan 0.000 0.494 128 P HA 0.298 nan 4.420 nan 0.000 0.277 128 P C -0.494 176.829 177.300 0.038 0.000 1.240 128 P CA -0.238 62.883 63.100 0.034 0.000 0.798 128 P CB 1.838 33.559 31.700 0.035 0.000 0.979 129 I N 2.103 122.666 120.570 -0.011 0.000 2.595 129 I HA 0.269 4.382 4.170 -0.095 0.000 0.275 129 I C 0.613 176.830 176.117 0.165 0.000 1.092 129 I CA -0.034 61.280 61.300 0.023 0.000 1.145 129 I CB 0.611 38.431 38.000 -0.300 0.000 1.276 129 I HN 0.234 nan 8.210 nan 0.000 0.497 130 N N 3.126 121.923 118.700 0.161 0.000 2.159 130 N HA 0.071 4.754 4.740 -0.095 0.000 0.217 130 N C -0.684 174.941 175.510 0.191 0.000 1.223 130 N CA 0.077 53.228 53.050 0.170 0.000 0.896 130 N CB 0.689 39.250 38.487 0.123 0.000 1.064 130 N HN 0.707 nan 8.380 nan 0.000 0.518 131 D N -2.187 118.334 120.400 0.202 0.000 2.768 131 D HA 0.064 4.647 4.640 -0.095 0.000 0.327 131 D C 0.497 176.877 176.300 0.133 0.000 1.302 131 D CA -0.684 53.454 54.000 0.231 0.000 0.897 131 D CB 0.248 41.160 40.800 0.187 0.000 1.420 131 D HN -0.170 nan 8.370 nan 0.000 0.494 132 L N 0.185 121.320 121.223 -0.148 0.000 2.083 132 L HA 0.024 4.308 4.340 -0.095 0.000 0.209 132 L C 1.818 178.675 176.870 -0.021 0.000 1.083 132 L CA 1.952 56.632 54.840 -0.267 0.000 0.752 132 L CB -0.679 40.868 42.059 -0.853 0.000 0.899 132 L HN 0.538 nan 8.230 nan 0.000 0.433 133 E N -0.908 119.287 120.200 -0.008 0.000 2.107 133 E HA -0.185 4.109 4.350 -0.095 0.000 0.191 133 E C 1.673 178.337 176.600 0.106 0.000 0.982 133 E CA 1.004 57.437 56.400 0.055 0.000 0.809 133 E CB -0.063 29.678 29.700 0.068 0.000 0.756 133 E HN 0.525 nan 8.360 nan 0.000 0.459 134 D N 0.299 120.779 120.400 0.133 0.000 2.104 134 D HA -0.184 4.399 4.640 -0.095 0.000 0.194 134 D C 1.706 178.145 176.300 0.231 0.000 0.994 134 D CA 0.988 55.091 54.000 0.172 0.000 0.830 134 D CB -0.360 40.537 40.800 0.161 0.000 0.959 134 D HN 0.156 nan 8.370 nan 0.000 0.452 135 Y N 1.494 121.850 120.300 0.094 0.000 2.165 135 Y HA -0.185 4.306 4.550 -0.099 0.000 0.286 135 Y C 2.268 178.243 175.900 0.124 0.000 1.155 135 Y CA 1.390 59.565 58.100 0.124 0.000 1.164 135 Y CB -0.539 37.987 38.460 0.110 0.000 0.978 135 Y HN -0.047 nan 8.280 nan 0.000 0.513 136 A N 0.110 122.991 122.820 0.101 0.000 1.902 136 A HA -0.192 4.071 4.320 -0.095 0.000 0.217 136 A C 2.370 179.936 177.584 -0.030 0.000 1.181 136 A CA 1.738 53.770 52.037 -0.009 0.000 0.623 136 A CB -0.621 18.392 19.000 0.021 0.000 0.818 136 A HN 0.477 nan 8.150 nan 0.000 0.443 137 R N -1.975 118.554 120.500 0.049 0.000 2.081 137 R HA -0.132 4.151 4.340 -0.095 0.000 0.235 137 R C 2.005 178.288 176.300 -0.028 0.000 1.131 137 R CA 1.703 57.846 56.100 0.071 0.000 0.960 137 R CB -0.434 29.978 30.300 0.186 0.000 0.856 137 R HN 0.655 nan 8.270 nan 0.000 0.436 138 F N 1.271 121.128 119.950 -0.156 0.000 2.163 138 F HA -0.085 4.383 4.527 -0.100 0.000 0.297 138 F C 2.147 177.727 175.800 -0.367 0.000 1.094 138 F CA 1.272 59.057 58.000 -0.358 0.000 1.290 138 F CB -0.027 38.817 39.000 -0.260 0.000 1.017 138 F HN -0.214 nan 8.300 nan 0.000 0.483 139 R N -0.025 120.174 120.500 -0.501 0.000 2.092 139 R HA -0.171 4.112 4.340 -0.095 0.000 0.231 139 R C 2.408 178.468 176.300 -0.400 0.000 1.119 139 R CA 1.271 57.066 56.100 -0.508 0.000 0.970 139 R CB -0.609 29.465 30.300 -0.376 0.000 0.864 139 R HN 0.365 nan 8.270 nan 0.000 0.440 140 Q N 0.713 120.334 119.800 -0.298 0.000 2.061 140 Q HA -0.144 4.139 4.340 -0.095 0.000 0.204 140 Q C 1.794 177.635 176.000 -0.265 0.000 0.984 140 Q CA 2.192 57.869 55.803 -0.209 0.000 0.846 140 Q CB -0.090 28.574 28.738 -0.123 0.000 0.902 140 Q HN 0.348 nan 8.270 nan 0.000 0.421 141 A N -0.234 122.336 122.820 -0.417 0.000 2.067 141 A HA 0.175 4.438 4.320 -0.095 0.000 0.217 141 A C 1.994 179.294 177.584 -0.473 0.000 1.156 141 A CA 1.238 53.009 52.037 -0.443 0.000 0.683 141 A CB -0.270 18.292 19.000 -0.730 0.000 0.808 141 A HN 0.411 nan 8.150 nan 0.000 0.455 142 A N -0.513 121.925 122.820 -0.636 0.000 2.195 142 A HA 0.610 4.873 4.320 -0.095 0.000 0.210 142 A C 1.355 178.831 177.584 -0.181 0.000 1.165 142 A CA 0.602 52.295 52.037 -0.573 0.000 0.806 142 A CB -0.659 17.667 19.000 -1.124 0.000 0.847 142 A HN 0.950 nan 8.150 nan 0.000 0.482 143 A N -0.320 122.409 122.820 -0.153 0.000 2.566 143 A HA 0.411 4.675 4.320 -0.095 0.000 0.245 143 A C 1.645 179.217 177.584 -0.021 0.000 1.056 143 A CA 0.701 52.713 52.037 -0.042 0.000 0.757 143 A CB -0.869 18.093 19.000 -0.064 0.000 0.979 143 A HN 1.984 nan 8.150 nan 0.000 0.508 144 G N 1.674 110.480 108.800 0.010 0.000 2.168 144 G HA2 -0.228 3.675 3.960 -0.095 0.000 0.263 144 G HA3 -0.228 3.675 3.960 -0.095 0.000 0.263 144 G C 0.260 175.169 174.900 0.014 0.000 0.977 144 G CA 0.814 45.913 45.100 -0.001 0.000 0.659 144 G HN 0.773 nan 8.290 nan 0.000 0.533 145 K N -0.659 119.780 120.400 0.065 0.000 2.106 145 K HA 0.675 4.938 4.320 -0.095 0.000 0.246 145 K C 1.027 177.724 176.600 0.161 0.000 0.987 145 K CA -0.898 55.440 56.287 0.085 0.000 0.904 145 K CB 0.974 33.495 32.500 0.035 0.000 1.071 145 K HN 0.066 nan 8.250 nan 0.000 0.453 146 R N 0.585 121.156 120.500 0.119 0.000 2.276 146 R HA 0.184 4.467 4.340 -0.095 0.000 0.195 146 R C 0.274 176.674 176.300 0.167 0.000 0.908 146 R CA 0.455 56.619 56.100 0.106 0.000 1.083 146 R CB 0.410 30.727 30.300 0.028 0.000 1.182 146 R HN 0.454 nan 8.270 nan 0.000 0.608 147 R N 1.038 121.603 120.500 0.108 0.000 2.534 147 R HA 0.557 4.840 4.340 -0.095 0.000 0.301 147 R C -0.973 175.342 176.300 0.026 0.000 0.961 147 R CA -0.560 55.581 56.100 0.068 0.000 0.871 147 R CB 2.834 33.153 30.300 0.032 0.000 1.170 147 R HN -0.216 nan 8.270 nan 0.000 0.446 148 V N 4.354 124.273 119.914 0.009 0.000 2.495 148 V HA 0.355 4.418 4.120 -0.095 0.000 0.298 148 V C -0.141 175.946 176.094 -0.012 0.000 1.031 148 V CA -0.887 61.398 62.300 -0.025 0.000 0.871 148 V CB 2.060 33.838 31.823 -0.076 0.000 0.988 148 V HN 0.603 nan 8.190 nan 0.000 0.432 149 L N 5.574 126.796 121.223 -0.003 0.000 2.292 149 L HA 0.639 4.922 4.340 -0.095 0.000 0.284 149 L C -0.895 175.969 176.870 -0.009 0.000 1.065 149 L CA -0.480 54.358 54.840 -0.004 0.000 0.806 149 L CB 1.333 43.392 42.059 0.001 0.000 1.175 149 L HN 0.643 nan 8.230 nan 0.000 0.431 150 L N 5.800 127.012 121.223 -0.019 0.000 2.333 150 L HA 0.493 4.776 4.340 -0.095 0.000 0.280 150 L C -1.104 175.770 176.870 0.007 0.000 1.004 150 L CA -0.479 54.348 54.840 -0.021 0.000 0.820 150 L CB 1.576 43.612 42.059 -0.038 0.000 1.247 150 L HN 0.571 nan 8.230 nan 0.000 0.416 151 L N 5.722 126.954 121.223 0.015 0.000 2.275 151 L HA 0.862 5.145 4.340 -0.095 0.000 0.288 151 L C 0.413 177.310 176.870 0.045 0.000 1.046 151 L CA -0.450 54.409 54.840 0.031 0.000 0.805 151 L CB 1.103 43.176 42.059 0.024 0.000 1.193 151 L HN 0.851 nan 8.230 nan 0.000 0.426 152 G N 2.410 111.246 108.800 0.061 0.000 2.525 152 G HA2 0.258 4.161 3.960 -0.095 0.000 0.685 152 G HA3 0.258 4.161 3.960 -0.095 0.000 0.685 152 G C -0.566 174.393 174.900 0.098 0.000 1.285 152 G CA -0.239 44.904 45.100 0.072 0.000 0.849 152 G HN 0.867 nan 8.290 nan 0.000 0.653 153 A N 0.241 123.120 122.820 0.099 0.000 2.543 153 A HA 0.794 5.057 4.320 -0.095 0.000 0.279 153 A C 1.140 178.774 177.584 0.083 0.000 0.917 153 A CA 1.203 53.318 52.037 0.129 0.000 1.036 153 A CB -0.067 19.027 19.000 0.156 0.000 1.227 153 A HN 2.239 nan 8.150 nan 0.000 0.503 154 G N -0.821 108.017 108.800 0.064 0.000 2.508 154 G HA2 0.382 4.285 3.960 -0.095 0.000 0.278 154 G HA3 0.382 4.285 3.960 -0.095 0.000 0.278 154 G C 1.016 175.936 174.900 0.033 0.000 1.389 154 G CA 0.070 45.193 45.100 0.037 0.000 1.050 154 G HN 0.562 nan 8.290 nan 0.000 0.522 155 L N -0.682 120.544 121.223 0.006 0.000 1.989 155 L HA -0.065 4.218 4.340 -0.095 0.000 0.211 155 L C 2.770 179.625 176.870 -0.025 0.000 1.071 155 L CA 1.412 56.240 54.840 -0.019 0.000 0.749 155 L CB -0.328 41.704 42.059 -0.045 0.000 0.890 155 L HN 0.548 nan 8.230 nan 0.000 0.431 156 I N 0.058 120.622 120.570 -0.011 0.000 2.163 156 I HA -0.243 3.870 4.170 -0.095 0.000 0.243 156 I C 2.609 178.768 176.117 0.069 0.000 1.085 156 I CA 1.436 62.724 61.300 -0.021 0.000 1.347 156 I CB -1.023 37.011 38.000 0.056 0.000 1.044 156 I HN 0.439 nan 8.210 nan 0.000 0.408 157 G N -0.116 108.760 108.800 0.126 0.000 2.440 157 G HA2 -0.256 3.648 3.960 -0.095 0.000 0.218 157 G HA3 -0.256 3.648 3.960 -0.095 0.000 0.218 157 G C 1.692 176.675 174.900 0.138 0.000 1.154 157 G CA 1.039 46.237 45.100 0.162 0.000 0.767 157 G HN 0.423 nan 8.290 nan 0.000 0.552 158 C N 0.341 119.702 119.300 0.101 0.000 2.440 158 C HA 0.046 4.449 4.460 -0.095 0.000 0.278 158 C C 2.775 177.800 174.990 0.057 0.000 1.295 158 C CA 0.888 59.968 59.018 0.103 0.000 1.738 158 C CB -0.700 27.092 27.740 0.086 0.000 1.987 158 C HN 0.569 nan 8.230 nan 0.000 0.492 159 E N 0.074 120.261 120.200 -0.021 0.000 2.047 159 E HA -0.142 4.151 4.350 -0.095 0.000 0.191 159 E C 1.881 178.448 176.600 -0.055 0.000 0.987 159 E CA 1.194 57.535 56.400 -0.098 0.000 0.799 159 E CB -0.282 29.273 29.700 -0.242 0.000 0.752 159 E HN 0.586 nan 8.360 nan 0.000 0.449 160 F N 1.249 121.216 119.950 0.028 0.000 2.095 160 F HA -0.191 4.280 4.527 -0.094 0.000 0.298 160 F C 2.491 178.298 175.800 0.011 0.000 1.104 160 F CA 1.163 59.176 58.000 0.023 0.000 1.232 160 F CB -0.955 38.027 39.000 -0.031 0.000 0.987 160 F HN 0.000 nan 8.300 nan 0.000 0.475 161 A N -0.134 122.797 122.820 0.185 0.000 1.908 161 A HA -0.259 4.005 4.320 -0.095 0.000 0.218 161 A C 2.258 179.889 177.584 0.078 0.000 1.181 161 A CA 2.017 54.101 52.037 0.079 0.000 0.627 161 A CB -0.947 18.067 19.000 0.023 0.000 0.818 161 A HN 0.413 nan 8.150 nan 0.000 0.445 162 N N -0.011 118.745 118.700 0.093 0.000 2.106 162 N HA -0.170 4.513 4.740 -0.095 0.000 0.188 162 N C 1.477 177.051 175.510 0.106 0.000 1.029 162 N CA 1.900 55.001 53.050 0.085 0.000 0.848 162 N CB -0.341 38.188 38.487 0.070 0.000 1.007 162 N HN 0.512 nan 8.380 nan 0.000 0.423 163 D N -0.081 120.411 120.400 0.153 0.000 2.137 163 D HA 0.032 4.615 4.640 -0.095 0.000 0.202 163 D C 2.245 178.671 176.300 0.211 0.000 0.970 163 D CA 0.451 54.587 54.000 0.228 0.000 0.837 163 D CB -0.062 40.934 40.800 0.326 0.000 0.981 163 D HN 0.196 nan 8.370 nan 0.000 0.475 164 L N -0.093 121.222 121.223 0.153 0.000 2.131 164 L HA -0.123 4.161 4.340 -0.095 0.000 0.210 164 L C 2.360 179.250 176.870 0.034 0.000 1.092 164 L CA 0.821 55.655 54.840 -0.010 0.000 0.759 164 L CB -0.177 41.877 42.059 -0.008 0.000 0.903 164 L HN 0.035 nan 8.230 nan 0.000 0.435 165 S N -1.066 114.665 115.700 0.051 0.000 2.387 165 S HA -0.127 4.286 4.470 -0.095 0.000 0.226 165 S C 2.109 176.718 174.600 0.015 0.000 1.026 165 S CA 1.303 59.522 58.200 0.032 0.000 0.972 165 S CB 0.013 63.231 63.200 0.030 0.000 0.814 165 S HN 0.358 nan 8.310 nan 0.000 0.477 166 S N 0.970 116.698 115.700 0.047 0.000 2.423 166 S HA -0.004 4.409 4.470 -0.095 0.000 0.231 166 S C 1.944 176.574 174.600 0.050 0.000 1.014 166 S CA 0.904 59.139 58.200 0.058 0.000 0.965 166 S CB -0.411 62.849 63.200 0.100 0.000 0.785 166 S HN 0.641 nan 8.310 nan 0.000 0.495 167 G N -0.042 108.768 108.800 0.015 0.000 2.920 167 G HA2 0.377 4.280 3.960 -0.095 0.000 0.208 167 G HA3 0.377 4.280 3.960 -0.095 0.000 0.208 167 G C 0.946 175.687 174.900 -0.266 0.000 1.159 167 G CA 0.451 45.523 45.100 -0.047 0.000 0.784 167 G HN 0.727 nan 8.290 nan 0.000 0.535 168 G N -1.691 106.960 108.800 -0.248 0.000 2.211 168 G HA2 -0.231 3.672 3.960 -0.095 0.000 0.201 168 G HA3 -0.231 3.672 3.960 -0.095 0.000 0.201 168 G C 0.149 174.826 174.900 -0.371 0.000 0.997 168 G CA -0.193 44.718 45.100 -0.315 0.000 0.652 168 G HN 0.325 nan 8.290 nan 0.000 0.500 169 Y N 1.133 121.352 120.300 -0.135 0.000 2.304 169 Y HA 0.620 5.114 4.550 -0.094 0.000 0.327 169 Y C 0.826 176.681 175.900 -0.075 0.000 1.209 169 Y CA -0.392 57.641 58.100 -0.111 0.000 1.299 169 Y CB 0.803 39.179 38.460 -0.140 0.000 1.249 169 Y HN 0.041 nan 8.280 nan 0.000 0.519 170 Q N 2.730 122.599 119.800 0.114 0.000 2.331 170 Q HA 0.312 4.595 4.340 -0.095 0.000 0.257 170 Q C -1.739 174.284 176.000 0.038 0.000 0.957 170 Q CA -0.749 55.083 55.803 0.047 0.000 0.923 170 Q CB 1.092 29.846 28.738 0.027 0.000 1.212 170 Q HN 0.593 nan 8.270 nan 0.000 0.443 171 L N 3.666 124.888 121.223 -0.002 0.000 2.309 171 L HA 0.371 4.654 4.340 -0.095 0.000 0.282 171 L C -0.581 176.247 176.870 -0.070 0.000 1.036 171 L CA -0.033 54.782 54.840 -0.041 0.000 0.806 171 L CB 1.671 43.685 42.059 -0.076 0.000 1.220 171 L HN 0.506 nan 8.230 nan 0.000 0.429 172 D N 1.602 121.976 120.400 -0.043 0.000 2.425 172 D HA 0.446 5.029 4.640 -0.095 0.000 0.240 172 D C -0.919 175.364 176.300 -0.029 0.000 1.080 172 D CA -0.179 53.822 54.000 0.003 0.000 0.836 172 D CB 1.799 42.675 40.800 0.127 0.000 1.125 172 D HN 0.092 nan 8.370 nan 0.000 0.525 173 V N 3.339 123.158 119.914 -0.159 0.000 2.383 173 V HA 0.388 4.451 4.120 -0.095 0.000 0.275 173 V C -0.051 176.093 176.094 0.083 0.000 1.036 173 V CA -0.571 61.650 62.300 -0.131 0.000 0.889 173 V CB 1.441 33.019 31.823 -0.409 0.000 0.985 173 V HN 0.291 nan 8.190 nan 0.000 0.459 174 V N 4.117 124.097 119.914 0.110 0.000 2.495 174 V HA 0.937 5.000 4.120 -0.095 0.000 0.298 174 V C 0.087 176.247 176.094 0.110 0.000 1.031 174 V CA -0.337 62.047 62.300 0.141 0.000 0.871 174 V CB 1.540 33.408 31.823 0.076 0.000 0.988 174 V HN 1.053 nan 8.190 nan 0.000 0.432 175 A N 6.108 129.002 122.820 0.122 0.000 2.555 175 A HA 0.791 5.054 4.320 -0.095 0.000 0.297 175 A C -2.637 174.993 177.584 0.076 0.000 1.060 175 A CA -0.976 51.115 52.037 0.091 0.000 0.710 175 A CB 1.986 21.046 19.000 0.100 0.000 1.282 175 A HN 0.510 nan 8.150 nan 0.000 0.399 176 P HA 0.051 nan 4.420 nan 0.000 0.236 176 P C 0.871 178.188 177.300 0.028 0.000 1.177 176 P CA 0.650 63.774 63.100 0.039 0.000 0.773 176 P CB -0.690 31.026 31.700 0.028 0.000 0.878 177 C N 0.892 120.208 119.300 0.027 0.000 2.700 177 C HA 0.249 4.652 4.460 -0.095 0.000 0.397 177 C C 2.031 177.022 174.990 0.002 0.000 1.301 177 C CA -0.525 58.498 59.018 0.009 0.000 2.219 177 C CB 0.027 27.770 27.740 0.006 0.000 2.699 177 C HN 0.338 nan 8.230 nan 0.000 0.669 178 E N 0.529 120.717 120.200 -0.020 0.000 2.478 178 E HA 0.076 4.370 4.350 -0.095 0.000 0.194 178 E C 0.319 176.884 176.600 -0.058 0.000 1.045 178 E CA 0.230 56.611 56.400 -0.033 0.000 0.868 178 E CB 0.065 29.742 29.700 -0.039 0.000 0.885 178 E HN 0.934 nan 8.360 nan 0.000 0.505 179 Q N -0.095 119.666 119.800 -0.066 0.000 2.522 179 Q HA 0.419 4.703 4.340 -0.095 0.000 0.285 179 Q C -0.498 175.449 176.000 -0.089 0.000 0.982 179 Q CA -1.102 54.639 55.803 -0.103 0.000 0.805 179 Q CB 1.617 30.285 28.738 -0.117 0.000 1.457 179 Q HN 0.026 nan 8.270 nan 0.000 0.394 180 V N -0.527 119.311 119.914 -0.127 0.000 2.811 180 V HA 0.288 4.352 4.120 -0.095 0.000 0.302 180 V C 0.603 176.660 176.094 -0.060 0.000 1.063 180 V CA -0.283 61.971 62.300 -0.076 0.000 1.088 180 V CB 0.077 31.838 31.823 -0.103 0.000 0.982 180 V HN 1.058 nan 8.190 nan 0.000 0.485 181 M N 1.543 121.126 119.600 -0.027 0.000 2.212 181 M HA -0.096 4.327 4.480 -0.095 0.000 0.193 181 M C -2.130 174.139 176.300 -0.053 0.000 0.493 181 M CA 0.357 55.636 55.300 -0.034 0.000 0.427 181 M CB -1.754 30.821 32.600 -0.041 0.000 1.120 181 M HN 0.702 nan 8.290 nan 0.000 0.929 182 P HA 0.206 nan 4.420 nan 0.000 0.269 182 P C 1.157 178.427 177.300 -0.050 0.000 1.209 182 P CA 1.444 64.508 63.100 -0.060 0.000 0.776 182 P CB 1.271 32.946 31.700 -0.042 0.000 0.876 183 G N 1.825 110.587 108.800 -0.064 0.000 2.640 183 G HA2 -0.369 3.534 3.960 -0.095 0.000 0.226 183 G HA3 -0.369 3.534 3.960 -0.095 0.000 0.226 183 G C 0.766 175.640 174.900 -0.043 0.000 1.222 183 G CA 0.457 45.532 45.100 -0.042 0.000 0.729 183 G HN 0.562 nan 8.290 nan 0.000 0.516 184 L N 0.028 121.222 121.223 -0.047 0.000 2.109 184 L HA 0.606 4.889 4.340 -0.095 0.000 0.207 184 L C 0.887 177.707 176.870 -0.083 0.000 1.086 184 L CA 1.652 56.462 54.840 -0.051 0.000 0.760 184 L CB -0.076 41.952 42.059 -0.052 0.000 0.910 184 L HN 0.478 nan 8.230 nan 0.000 0.437 185 L N -0.436 120.719 121.223 -0.113 0.000 2.362 185 L HA 0.325 4.608 4.340 -0.095 0.000 0.275 185 L C -0.473 176.266 176.870 -0.220 0.000 0.998 185 L CA -0.601 54.155 54.840 -0.139 0.000 0.820 185 L CB 0.912 42.915 42.059 -0.095 0.000 1.270 185 L HN 0.115 nan 8.230 nan 0.000 0.415 186 H N 6.099 124.916 119.070 -0.422 0.000 3.034 186 H HA 0.030 4.529 4.556 -0.095 0.000 0.324 186 H C -1.799 173.363 175.328 -0.278 0.000 1.015 186 H CA -0.582 55.165 56.048 -0.502 0.000 1.429 186 H CB 1.224 30.587 29.762 -0.665 0.000 1.429 186 H HN 0.479 nan 8.280 nan 0.000 0.585 187 P HA -0.234 nan 4.420 nan 0.000 0.217 187 P C 1.124 178.381 177.300 -0.071 0.000 1.158 187 P CA 2.583 65.513 63.100 -0.283 0.000 0.887 187 P CB -0.030 31.442 31.700 -0.379 0.000 0.792 188 A N -0.555 122.357 122.820 0.154 0.000 1.898 188 A HA -0.063 4.200 4.320 -0.095 0.000 0.216 188 A C 2.316 179.936 177.584 0.060 0.000 1.181 188 A CA 2.070 54.188 52.037 0.134 0.000 0.620 188 A CB -1.477 17.634 19.000 0.185 0.000 0.819 188 A HN 0.220 nan 8.150 nan 0.000 0.442 189 A N -0.378 122.486 122.820 0.073 0.000 1.968 189 A HA 0.308 4.571 4.320 -0.095 0.000 0.217 189 A C 2.426 179.997 177.584 -0.022 0.000 1.169 189 A CA 1.613 53.658 52.037 0.013 0.000 0.638 189 A CB -0.799 18.209 19.000 0.015 0.000 0.812 189 A HN 0.917 nan 8.150 nan 0.000 0.446 190 A N 0.590 123.382 122.820 -0.046 0.000 1.877 190 A HA -0.168 4.095 4.320 -0.095 0.000 0.216 190 A C 2.062 179.581 177.584 -0.109 0.000 1.186 190 A CA 2.315 54.300 52.037 -0.086 0.000 0.620 190 A CB -0.499 18.434 19.000 -0.111 0.000 0.822 190 A HN 0.498 nan 8.150 nan 0.000 0.443 191 K N 0.304 120.646 120.400 -0.097 0.000 2.044 191 K HA -0.128 4.135 4.320 -0.095 0.000 0.210 191 K C 1.940 178.489 176.600 -0.085 0.000 1.049 191 K CA 2.047 58.272 56.287 -0.103 0.000 0.927 191 K CB -0.583 31.875 32.500 -0.070 0.000 0.713 191 K HN 0.334 nan 8.250 nan 0.000 0.443 192 A N 0.125 122.914 122.820 -0.052 0.000 1.902 192 A HA -0.090 4.173 4.320 -0.095 0.000 0.217 192 A C 2.350 179.911 177.584 -0.038 0.000 1.181 192 A CA 1.806 53.822 52.037 -0.035 0.000 0.623 192 A CB -0.720 18.270 19.000 -0.017 0.000 0.818 192 A HN 0.163 nan 8.150 nan 0.000 0.443 193 V N -0.097 119.789 119.914 -0.047 0.000 2.307 193 V HA -0.311 3.753 4.120 -0.095 0.000 0.245 193 V C 2.717 178.780 176.094 -0.051 0.000 1.045 193 V CA 2.267 64.546 62.300 -0.034 0.000 1.024 193 V CB -0.826 30.979 31.823 -0.031 0.000 0.651 193 V HN 0.769 nan 8.190 nan 0.000 0.449 194 Q N -0.090 119.618 119.800 -0.154 0.000 2.112 194 Q HA -0.267 4.016 4.340 -0.095 0.000 0.206 194 Q C 2.226 178.147 176.000 -0.132 0.000 0.987 194 Q CA 2.231 57.842 55.803 -0.319 0.000 0.858 194 Q CB -0.296 28.103 28.738 -0.566 0.000 0.905 194 Q HN 0.647 nan 8.270 nan 0.000 0.420 195 A N 0.237 123.006 122.820 -0.085 0.000 1.933 195 A HA -0.106 4.157 4.320 -0.095 0.000 0.218 195 A C 2.238 179.834 177.584 0.020 0.000 1.175 195 A CA 1.578 53.600 52.037 -0.025 0.000 0.628 195 A CB -1.240 17.743 19.000 -0.028 0.000 0.814 195 A HN 0.611 nan 8.150 nan 0.000 0.444 196 G N 0.012 108.824 108.800 0.020 0.000 2.446 196 G HA2 -0.192 3.711 3.960 -0.095 0.000 0.217 196 G HA3 -0.192 3.711 3.960 -0.095 0.000 0.217 196 G C 1.547 176.490 174.900 0.071 0.000 1.168 196 G CA 1.098 46.220 45.100 0.038 0.000 0.771 196 G HN 0.441 nan 8.290 nan 0.000 0.551 197 L N 0.076 121.369 121.223 0.117 0.000 2.083 197 L HA -0.049 4.234 4.340 -0.095 0.000 0.209 197 L C 2.871 179.853 176.870 0.186 0.000 1.083 197 L CA 1.242 56.191 54.840 0.181 0.000 0.752 197 L CB -0.476 41.779 42.059 0.327 0.000 0.899 197 L HN 0.292 nan 8.230 nan 0.000 0.433 198 E N 0.265 120.598 120.200 0.222 0.000 2.077 198 E HA -0.171 4.122 4.350 -0.095 0.000 0.193 198 E C 2.245 178.893 176.600 0.080 0.000 0.989 198 E CA 0.999 57.496 56.400 0.161 0.000 0.800 198 E CB -0.349 29.442 29.700 0.151 0.000 0.746 198 E HN 0.552 nan 8.360 nan 0.000 0.452 199 G N 1.031 109.870 108.800 0.064 0.000 2.499 199 G HA2 -0.238 3.665 3.960 -0.095 0.000 0.221 199 G HA3 -0.238 3.665 3.960 -0.095 0.000 0.221 199 G C 1.439 176.361 174.900 0.037 0.000 1.109 199 G CA 0.478 45.602 45.100 0.041 0.000 0.749 199 G HN 0.142 nan 8.290 nan 0.000 0.568 200 L N -0.460 120.790 121.223 0.045 0.000 2.509 200 L HA 0.255 4.538 4.340 -0.095 0.000 0.222 200 L C 2.079 178.963 176.870 0.023 0.000 1.123 200 L CA 0.641 55.502 54.840 0.034 0.000 0.856 200 L CB 0.195 42.278 42.059 0.040 0.000 0.985 200 L HN 0.423 nan 8.230 nan 0.000 0.456 201 G N -0.473 108.342 108.800 0.025 0.000 2.192 201 G HA2 -0.221 3.683 3.960 -0.095 0.000 0.193 201 G HA3 -0.221 3.683 3.960 -0.095 0.000 0.193 201 G C 0.248 175.140 174.900 -0.013 0.000 0.999 201 G CA -0.151 44.954 45.100 0.009 0.000 0.659 201 G HN 0.016 nan 8.290 nan 0.000 0.503 202 V N 1.667 121.566 119.914 -0.025 0.000 2.599 202 V HA 0.291 4.354 4.120 -0.095 0.000 0.300 202 V C 1.040 177.034 176.094 -0.166 0.000 1.034 202 V CA 0.482 62.701 62.300 -0.134 0.000 1.115 202 V CB 0.655 32.360 31.823 -0.198 0.000 0.934 202 V HN 0.401 nan 8.190 nan 0.000 0.485 203 R N 4.297 124.652 120.500 -0.241 0.000 2.295 203 R HA 0.524 4.807 4.340 -0.095 0.000 0.324 203 R C -1.063 174.943 176.300 -0.491 0.000 0.968 203 R CA -0.307 55.650 56.100 -0.238 0.000 0.837 203 R CB 1.164 31.384 30.300 -0.133 0.000 1.133 203 R HN 0.522 nan 8.270 nan 0.000 0.450 204 F N 2.251 122.000 119.950 -0.335 0.000 2.399 204 F HA 0.302 4.772 4.527 -0.094 0.000 0.334 204 F C 0.849 176.297 175.800 -0.587 0.000 1.097 204 F CA -0.305 57.503 58.000 -0.320 0.000 1.076 204 F CB 1.182 40.096 39.000 -0.143 0.000 1.162 204 F HN 0.328 nan 8.300 nan 0.000 0.495 205 H N 4.913 124.089 119.070 0.176 0.000 2.716 205 H HA 0.263 4.762 4.556 -0.095 0.000 0.260 205 H C -1.148 174.245 175.328 0.108 0.000 1.280 205 H CA -0.515 55.596 56.048 0.105 0.000 1.506 205 H CB 0.793 30.584 29.762 0.049 0.000 1.514 205 H HN 0.229 nan 8.280 nan 0.000 0.502 206 L N 1.494 122.814 121.223 0.162 0.000 2.265 206 L HA 0.393 4.677 4.340 -0.095 0.000 0.289 206 L C 1.232 178.147 176.870 0.074 0.000 1.033 206 L CA 0.396 55.303 54.840 0.111 0.000 0.814 206 L CB 1.150 43.247 42.059 0.063 0.000 1.203 206 L HN 0.992 nan 8.230 nan 0.000 0.423 207 G N 4.706 113.545 108.800 0.065 0.000 2.909 207 G HA2 -0.136 3.767 3.960 -0.095 0.000 0.198 207 G HA3 -0.136 3.767 3.960 -0.095 0.000 0.198 207 G C -2.495 172.434 174.900 0.047 0.000 1.124 207 G CA -0.527 44.600 45.100 0.046 0.000 0.796 207 G HN 0.468 nan 8.290 nan 0.000 0.489 208 P HA 0.626 nan 4.420 nan 0.000 0.278 208 P C 0.129 177.455 177.300 0.042 0.000 1.266 208 P CA -0.215 62.912 63.100 0.046 0.000 0.807 208 P CB 1.609 33.336 31.700 0.045 0.000 1.094 209 V N -1.919 118.011 119.914 0.028 0.000 3.103 209 V HA 0.526 4.589 4.120 -0.095 0.000 0.318 209 V C -0.329 175.774 176.094 0.015 0.000 1.114 209 V CA -1.327 60.987 62.300 0.024 0.000 1.020 209 V CB 1.373 33.207 31.823 0.018 0.000 1.085 209 V HN 0.307 nan 8.190 nan 0.000 0.446 210 L N 2.482 123.713 121.223 0.014 0.000 2.369 210 L HA 0.643 4.926 4.340 -0.095 0.000 0.279 210 L C 1.108 177.987 176.870 0.015 0.000 1.108 210 L CA 1.076 55.923 54.840 0.012 0.000 0.852 210 L CB 0.408 42.473 42.059 0.011 0.000 1.169 210 L HN 0.952 nan 8.230 nan 0.000 0.452 211 A N 3.554 126.389 122.820 0.024 0.000 1.855 211 A HA 0.232 4.495 4.320 -0.095 0.000 0.213 211 A C 0.842 178.432 177.584 0.010 0.000 1.195 211 A CA 1.133 53.181 52.037 0.018 0.000 0.610 211 A CB -0.327 18.689 19.000 0.026 0.000 0.837 211 A HN 0.816 nan 8.150 nan 0.000 0.444 212 S N -2.477 113.241 115.700 0.030 0.000 2.596 212 S HA 0.661 5.074 4.470 -0.095 0.000 0.270 212 S C -1.405 173.228 174.600 0.056 0.000 1.155 212 S CA -0.647 57.559 58.200 0.009 0.000 0.827 212 S CB 1.396 64.559 63.200 -0.062 0.000 1.130 212 S HN 0.700 nan 8.310 nan 0.000 0.467 213 L N 1.035 122.279 121.223 0.034 0.000 2.406 213 L HA 0.684 4.967 4.340 -0.095 0.000 0.272 213 L C -1.147 175.747 176.870 0.039 0.000 0.980 213 L CA -0.148 54.725 54.840 0.054 0.000 0.831 213 L CB 1.516 43.593 42.059 0.030 0.000 1.253 213 L HN 0.889 nan 8.230 nan 0.000 0.406 214 K N 3.680 124.121 120.400 0.069 0.000 2.375 214 K HA 0.513 4.776 4.320 -0.095 0.000 0.249 214 K C -0.923 175.704 176.600 0.045 0.000 0.942 214 K CA -1.007 55.306 56.287 0.043 0.000 0.806 214 K CB 2.295 34.823 32.500 0.047 0.000 1.227 214 K HN 0.396 nan 8.250 nan 0.000 0.430 215 K N 1.285 121.701 120.400 0.027 0.000 2.379 215 K HA 0.320 4.583 4.320 -0.095 0.000 0.284 215 K C -0.812 175.804 176.600 0.027 0.000 1.044 215 K CA -0.127 56.174 56.287 0.024 0.000 0.974 215 K CB 0.952 33.460 32.500 0.014 0.000 0.962 215 K HN 0.605 nan 8.250 nan 0.000 0.474 216 A N 3.073 125.908 122.820 0.026 0.000 2.446 216 A HA 0.602 4.865 4.320 -0.095 0.000 0.282 216 A C 0.447 178.039 177.584 0.015 0.000 1.102 216 A CA -0.076 51.976 52.037 0.025 0.000 0.737 216 A CB 0.956 19.977 19.000 0.035 0.000 1.212 216 A HN 0.815 nan 8.150 nan 0.000 0.434 217 G N 2.286 111.093 108.800 0.011 0.000 2.665 217 G HA2 -0.366 3.537 3.960 -0.095 0.000 0.326 217 G HA3 -0.366 3.537 3.960 -0.095 0.000 0.326 217 G C 0.840 175.743 174.900 0.005 0.000 1.231 217 G CA 1.071 46.175 45.100 0.007 0.000 0.992 217 G HN 0.835 nan 8.290 nan 0.000 0.549 218 E N 1.621 121.823 120.200 0.003 0.000 2.358 218 E HA 0.302 4.595 4.350 -0.095 0.000 0.195 218 E C 1.516 178.118 176.600 0.003 0.000 1.010 218 E CA 0.724 57.125 56.400 0.002 0.000 0.856 218 E CB 0.113 29.813 29.700 -0.000 0.000 0.795 218 E HN 0.732 nan 8.360 nan 0.000 0.504 219 G N -0.153 108.650 108.800 0.006 0.000 3.319 219 G HA2 0.391 4.294 3.960 -0.095 0.000 0.158 219 G HA3 0.391 4.294 3.960 -0.095 0.000 0.158 219 G C -1.440 173.469 174.900 0.016 0.000 1.205 219 G CA -0.615 44.491 45.100 0.010 0.000 1.252 219 G HN -0.067 nan 8.290 nan 0.000 0.668 220 L N 0.626 121.859 121.223 0.017 0.000 2.323 220 L HA 0.665 4.948 4.340 -0.095 0.000 0.265 220 L C -0.501 176.379 176.870 0.017 0.000 1.012 220 L CA -0.852 54.003 54.840 0.024 0.000 0.820 220 L CB 1.898 43.975 42.059 0.031 0.000 1.334 220 L HN 0.563 nan 8.230 nan 0.000 0.427 221 E N 0.804 121.024 120.200 0.034 0.000 2.185 221 E HA 0.653 4.946 4.350 -0.095 0.000 0.261 221 E C -1.045 175.582 176.600 0.044 0.000 0.879 221 E CA -0.721 55.681 56.400 0.004 0.000 0.756 221 E CB 1.806 31.504 29.700 -0.003 0.000 1.152 221 E HN 0.655 nan 8.360 nan 0.000 0.416 222 A N 4.543 127.345 122.820 -0.030 0.000 2.279 222 A HA 0.238 4.501 4.320 -0.095 0.000 0.306 222 A C -0.632 176.906 177.584 -0.077 0.000 1.300 222 A CA -0.416 51.618 52.037 -0.004 0.000 0.925 222 A CB 0.146 19.126 19.000 -0.033 0.000 1.152 222 A HN 0.654 nan 8.150 nan 0.000 0.544 223 H N 3.848 122.895 119.070 -0.038 0.000 2.705 223 H HA 0.274 4.773 4.556 -0.095 0.000 0.291 223 H C -0.146 175.155 175.328 -0.044 0.000 1.085 223 H CA -0.161 55.863 56.048 -0.040 0.000 1.357 223 H CB 0.769 30.515 29.762 -0.027 0.000 1.419 223 H HN 0.552 nan 8.280 nan 0.000 0.462 224 L N 1.544 122.772 121.223 0.008 0.000 2.475 224 L HA 0.020 4.304 4.340 -0.095 0.000 0.253 224 L C 1.787 178.669 176.870 0.021 0.000 1.198 224 L CA -0.295 54.539 54.840 -0.009 0.000 0.814 224 L CB 0.691 42.709 42.059 -0.069 0.000 1.134 224 L HN 0.613 nan 8.230 nan 0.000 0.478 225 S N -0.888 114.822 115.700 0.016 0.000 2.474 225 S HA -0.147 4.266 4.470 -0.095 0.000 0.235 225 S C 1.021 175.632 174.600 0.019 0.000 0.997 225 S CA 0.848 59.059 58.200 0.019 0.000 0.949 225 S CB -0.387 62.822 63.200 0.016 0.000 0.766 225 S HN 0.841 nan 8.310 nan 0.000 0.517 226 D N 0.262 120.672 120.400 0.015 0.000 2.339 226 D HA 0.235 4.818 4.640 -0.095 0.000 0.217 226 D C 1.395 177.704 176.300 0.014 0.000 1.050 226 D CA 0.635 54.645 54.000 0.016 0.000 0.856 226 D CB -0.448 40.365 40.800 0.021 0.000 0.922 226 D HN 0.578 nan 8.370 nan 0.000 0.518 227 G N 0.246 109.056 108.800 0.017 0.000 2.176 227 G HA2 -0.259 3.644 3.960 -0.095 0.000 0.232 227 G HA3 -0.259 3.644 3.960 -0.095 0.000 0.232 227 G C -0.088 174.807 174.900 -0.007 0.000 0.986 227 G CA -0.105 45.009 45.100 0.025 0.000 0.643 227 G HN 0.433 nan 8.290 nan 0.000 0.522 228 E N 0.159 120.336 120.200 -0.038 0.000 2.392 228 E HA 0.409 4.703 4.350 -0.095 0.000 0.264 228 E C -0.041 176.465 176.600 -0.156 0.000 1.024 228 E CA -0.016 56.331 56.400 -0.088 0.000 0.903 228 E CB 1.727 31.357 29.700 -0.117 0.000 0.963 228 E HN 0.157 nan 8.360 nan 0.000 0.432 229 V N 5.016 124.808 119.914 -0.202 0.000 2.409 229 V HA 0.348 4.411 4.120 -0.095 0.000 0.291 229 V C -0.125 175.837 176.094 -0.221 0.000 1.020 229 V CA -0.559 61.540 62.300 -0.336 0.000 0.848 229 V CB 1.003 32.579 31.823 -0.411 0.000 0.990 229 V HN 0.521 nan 8.190 nan 0.000 0.430 230 I N 6.988 127.435 120.570 -0.206 0.000 2.411 230 I HA 0.390 4.503 4.170 -0.095 0.000 0.284 230 I C -2.534 173.527 176.117 -0.094 0.000 1.012 230 I CA -2.015 59.205 61.300 -0.135 0.000 1.119 230 I CB 2.399 40.310 38.000 -0.149 0.000 1.261 230 I HN 0.423 nan 8.210 nan 0.000 0.448 231 P HA 0.149 nan 4.420 nan 0.000 0.271 231 P C -0.882 176.405 177.300 -0.021 0.000 1.220 231 P CA -0.271 62.806 63.100 -0.039 0.000 0.768 231 P CB 0.477 32.160 31.700 -0.028 0.000 0.848 232 C N 0.910 120.204 119.300 -0.010 0.000 3.288 232 C HA 0.473 4.876 4.460 -0.095 0.000 0.318 232 C C 0.795 175.789 174.990 0.006 0.000 1.356 232 C CA -0.587 58.431 59.018 0.000 0.000 1.359 232 C CB 1.653 29.393 27.740 0.000 0.000 1.688 232 C HN 0.443 nan 8.230 nan 0.000 0.467 233 D N 0.402 120.804 120.400 0.004 0.000 2.277 233 D HA 0.205 4.788 4.640 -0.095 0.000 0.209 233 D C 0.546 176.846 176.300 -0.000 0.000 0.970 233 D CA 1.398 55.396 54.000 -0.004 0.000 0.874 233 D CB 0.571 41.361 40.800 -0.016 0.000 0.982 233 D HN 0.762 nan 8.370 nan 0.000 0.504 234 L N -3.030 118.197 121.223 0.007 0.000 2.838 234 L HA 0.591 4.874 4.340 -0.095 0.000 0.266 234 L C -1.586 175.340 176.870 0.094 0.000 1.040 234 L CA -1.054 53.826 54.840 0.067 0.000 0.906 234 L CB 2.264 44.309 42.059 -0.024 0.000 1.501 234 L HN -0.415 nan 8.230 nan 0.000 0.407 235 V N 1.190 121.215 119.914 0.184 0.000 2.531 235 V HA 0.522 4.585 4.120 -0.095 0.000 0.301 235 V C -0.149 176.046 176.094 0.168 0.000 1.034 235 V CA -0.614 61.763 62.300 0.128 0.000 0.865 235 V CB 1.867 33.740 31.823 0.083 0.000 0.995 235 V HN 0.545 nan 8.190 nan 0.000 0.424 236 V N 3.363 123.306 119.914 0.049 0.000 2.432 236 V HA 0.362 4.425 4.120 -0.095 0.000 0.275 236 V C 0.578 176.659 176.094 -0.021 0.000 1.043 236 V CA -0.058 62.219 62.300 -0.038 0.000 0.925 236 V CB 1.796 33.464 31.823 -0.259 0.000 0.985 236 V HN 0.904 nan 8.190 nan 0.000 0.466 237 S N 4.417 120.112 115.700 -0.007 0.000 2.415 237 S HA 0.613 5.026 4.470 -0.095 0.000 0.313 237 S C 0.330 174.933 174.600 0.006 0.000 1.067 237 S CA 0.009 58.211 58.200 0.002 0.000 1.099 237 S CB 0.439 63.641 63.200 0.004 0.000 0.991 237 S HN 0.994 nan 8.310 nan 0.000 0.491 238 A N 4.971 127.807 122.820 0.027 0.000 2.956 238 A HA 0.429 4.692 4.320 -0.095 0.000 0.294 238 A C 1.007 178.634 177.584 0.072 0.000 0.993 238 A CA -0.350 51.730 52.037 0.071 0.000 1.032 238 A CB -0.072 19.005 19.000 0.128 0.000 1.129 238 A HN 0.672 nan 8.150 nan 0.000 0.505 239 V N 0.019 119.963 119.914 0.051 0.000 2.407 239 V HA 0.193 4.256 4.120 -0.095 0.000 0.248 239 V C 1.540 177.663 176.094 0.048 0.000 1.055 239 V CA 1.996 64.324 62.300 0.046 0.000 1.049 239 V CB -0.824 31.018 31.823 0.033 0.000 0.662 239 V HN 1.094 nan 8.190 nan 0.000 0.455 240 G N -1.516 107.315 108.800 0.052 0.000 2.341 240 G HA2 0.364 4.268 3.960 -0.095 0.000 0.293 240 G HA3 0.364 4.268 3.960 -0.095 0.000 0.293 240 G C -1.858 173.073 174.900 0.051 0.000 1.298 240 G CA -0.825 44.306 45.100 0.051 0.000 0.868 240 G HN 0.103 nan 8.290 nan 0.000 0.540 241 L N -0.346 120.908 121.223 0.051 0.000 2.388 241 L HA 0.845 5.128 4.340 -0.095 0.000 0.264 241 L C 0.029 176.927 176.870 0.046 0.000 0.998 241 L CA -0.931 53.940 54.840 0.052 0.000 0.817 241 L CB 2.637 44.734 42.059 0.063 0.000 1.338 241 L HN 0.713 nan 8.230 nan 0.000 0.414 242 R N 2.160 122.685 120.500 0.042 0.000 2.575 242 R HA 0.541 4.825 4.340 -0.095 0.000 0.293 242 R C -2.749 173.581 176.300 0.051 0.000 0.983 242 R CA -1.684 54.441 56.100 0.040 0.000 0.887 242 R CB 2.460 32.774 30.300 0.024 0.000 1.184 242 R HN 0.200 nan 8.270 nan 0.000 0.445 243 P HA -0.019 nan 4.420 nan 0.000 0.265 243 P C -0.949 176.408 177.300 0.096 0.000 1.187 243 P CA 0.174 63.333 63.100 0.099 0.000 0.766 243 P CB 0.485 32.250 31.700 0.108 0.000 0.820 244 R N 1.737 122.312 120.500 0.125 0.000 2.288 244 R HA 0.179 4.462 4.340 -0.095 0.000 0.330 244 R C 0.989 177.384 176.300 0.158 0.000 1.069 244 R CA 0.350 56.464 56.100 0.024 0.000 0.941 244 R CB -0.077 30.106 30.300 -0.195 0.000 0.998 244 R HN 0.577 nan 8.270 nan 0.000 0.452 245 T N -1.927 112.682 114.554 0.091 0.000 2.954 245 T HA -0.049 4.244 4.350 -0.095 0.000 0.252 245 T C 1.424 176.216 174.700 0.154 0.000 0.983 245 T CA -0.134 62.072 62.100 0.177 0.000 0.941 245 T CB 0.176 69.120 68.868 0.126 0.000 1.141 245 T HN 0.619 nan 8.240 nan 0.000 0.500 246 E N 2.239 122.460 120.200 0.036 0.000 2.070 246 E HA -0.155 4.138 4.350 -0.095 0.000 0.197 246 E C 1.978 178.639 176.600 0.103 0.000 1.004 246 E CA 1.337 57.765 56.400 0.046 0.000 0.805 246 E CB -0.860 28.822 29.700 -0.031 0.000 0.744 246 E HN 0.452 nan 8.360 nan 0.000 0.451 247 L N 0.459 121.686 121.223 0.007 0.000 2.156 247 L HA -0.053 4.230 4.340 -0.095 0.000 0.208 247 L C 2.769 179.798 176.870 0.264 0.000 1.095 247 L CA 0.826 55.712 54.840 0.077 0.000 0.770 247 L CB -0.478 41.513 42.059 -0.112 0.000 0.914 247 L HN 0.319 nan 8.230 nan 0.000 0.439 248 A N -0.099 122.952 122.820 0.386 0.000 1.898 248 A HA -0.242 4.022 4.320 -0.095 0.000 0.216 248 A C 2.147 179.863 177.584 0.220 0.000 1.181 248 A CA 1.237 53.472 52.037 0.329 0.000 0.620 248 A CB -0.705 18.507 19.000 0.354 0.000 0.819 248 A HN 0.388 nan 8.150 nan 0.000 0.442 249 F N 0.984 121.002 119.950 0.114 0.000 2.146 249 F HA -0.004 4.466 4.527 -0.096 0.000 0.298 249 F C 2.452 178.291 175.800 0.065 0.000 1.096 249 F CA 1.198 59.243 58.000 0.075 0.000 1.275 249 F CB -0.275 38.759 39.000 0.058 0.000 1.008 249 F HN 0.235 nan 8.300 nan 0.000 0.480 250 A N 0.387 123.310 122.820 0.173 0.000 1.972 250 A HA -0.023 4.241 4.320 -0.095 0.000 0.219 250 A C 2.220 179.796 177.584 -0.013 0.000 1.169 250 A CA 1.413 53.495 52.037 0.075 0.000 0.635 250 A CB -1.463 17.620 19.000 0.139 0.000 0.810 250 A HN 0.463 nan 8.150 nan 0.000 0.446 251 A N -1.632 121.204 122.820 0.027 0.000 2.235 251 A HA 0.393 4.656 4.320 -0.095 0.000 0.208 251 A C 1.739 179.288 177.584 -0.059 0.000 1.172 251 A CA 1.200 53.247 52.037 0.016 0.000 0.786 251 A CB -1.067 17.970 19.000 0.062 0.000 0.804 251 A HN 1.914 nan 8.150 nan 0.000 0.479 252 G N -1.228 107.479 108.800 -0.154 0.000 2.137 252 G HA2 -0.203 3.700 3.960 -0.095 0.000 0.237 252 G HA3 -0.203 3.700 3.960 -0.095 0.000 0.237 252 G C -0.022 174.814 174.900 -0.107 0.000 1.002 252 G CA 0.270 45.255 45.100 -0.190 0.000 0.702 252 G HN 0.452 nan 8.290 nan 0.000 0.515 253 L N 0.482 121.669 121.223 -0.061 0.000 2.350 253 L HA 0.678 4.961 4.340 -0.095 0.000 0.275 253 L C 1.211 178.101 176.870 0.034 0.000 1.099 253 L CA -0.465 54.378 54.840 0.005 0.000 0.808 253 L CB 1.389 43.467 42.059 0.031 0.000 1.149 253 L HN 0.315 nan 8.230 nan 0.000 0.442 254 A N 3.191 126.037 122.820 0.044 0.000 2.520 254 A HA 0.452 4.715 4.320 -0.095 0.000 0.245 254 A C -0.140 177.516 177.584 0.119 0.000 1.072 254 A CA -0.207 51.877 52.037 0.079 0.000 0.761 254 A CB 0.132 19.161 19.000 0.048 0.000 1.004 254 A HN 0.600 nan 8.150 nan 0.000 0.499 255 V N 1.188 121.211 119.914 0.181 0.000 3.040 255 V HA 0.690 4.753 4.120 -0.095 0.000 0.312 255 V C 0.061 176.226 176.094 0.119 0.000 1.115 255 V CA -0.490 61.908 62.300 0.162 0.000 0.998 255 V CB 1.865 33.816 31.823 0.215 0.000 1.042 255 V HN 1.022 nan 8.190 nan 0.000 0.433 256 N N 1.065 119.813 118.700 0.081 0.000 2.936 256 N HA 0.189 4.872 4.740 -0.095 0.000 0.165 256 N C 1.393 176.927 175.510 0.041 0.000 1.621 256 N CA 0.106 53.188 53.050 0.054 0.000 1.214 256 N CB 0.905 39.420 38.487 0.047 0.000 0.959 256 N HN 0.762 nan 8.380 nan 0.000 0.573 257 R N 0.829 121.354 120.500 0.042 0.000 2.066 257 R HA 0.266 4.549 4.340 -0.095 0.000 0.224 257 R C 0.928 177.261 176.300 0.055 0.000 1.122 257 R CA 1.683 57.807 56.100 0.041 0.000 0.974 257 R CB -0.878 29.447 30.300 0.041 0.000 0.871 257 R HN 0.328 nan 8.270 nan 0.000 0.435 258 G N -0.438 108.401 108.800 0.065 0.000 3.107 258 G HA2 0.453 4.357 3.960 -0.095 0.000 0.232 258 G HA3 0.453 4.357 3.960 -0.095 0.000 0.232 258 G C -0.871 174.086 174.900 0.094 0.000 1.339 258 G CA -0.945 44.207 45.100 0.086 0.000 1.033 258 G HN 0.136 nan 8.290 nan 0.000 0.567 259 I N 1.005 121.636 120.570 0.102 0.000 2.517 259 I HA 0.100 4.213 4.170 -0.095 0.000 0.285 259 I C 0.041 176.185 176.117 0.045 0.000 1.106 259 I CA -0.215 61.136 61.300 0.085 0.000 1.402 259 I CB 1.224 39.259 38.000 0.059 0.000 1.399 259 I HN -0.137 nan 8.210 nan 0.000 0.535 260 V N 8.049 127.989 119.914 0.044 0.000 2.439 260 V HA 0.154 4.217 4.120 -0.095 0.000 0.271 260 V C 0.325 176.418 176.094 -0.001 0.000 1.040 260 V CA -0.217 62.097 62.300 0.024 0.000 1.002 260 V CB 0.793 32.634 31.823 0.030 0.000 1.000 260 V HN 0.571 nan 8.190 nan 0.000 0.477 261 V N 2.060 121.969 119.914 -0.007 0.000 3.001 261 V HA 0.815 4.878 4.120 -0.095 0.000 0.314 261 V C -0.350 175.731 176.094 -0.022 0.000 1.099 261 V CA -1.018 61.271 62.300 -0.019 0.000 0.989 261 V CB 2.123 33.939 31.823 -0.012 0.000 1.040 261 V HN 0.740 nan 8.190 nan 0.000 0.434 262 D N 2.075 122.460 120.400 -0.025 0.000 2.469 262 D HA 0.300 4.883 4.640 -0.095 0.000 0.278 262 D C 0.908 177.188 176.300 -0.033 0.000 1.231 262 D CA -0.587 53.395 54.000 -0.030 0.000 1.075 262 D CB 0.512 41.295 40.800 -0.028 0.000 1.121 262 D HN 0.496 nan 8.370 nan 0.000 0.571 263 R N -0.979 119.493 120.500 -0.046 0.000 2.280 263 R HA 0.067 4.350 4.340 -0.095 0.000 0.207 263 R C 1.385 177.673 176.300 -0.020 0.000 1.043 263 R CA 0.449 56.512 56.100 -0.062 0.000 1.006 263 R CB -0.095 30.155 30.300 -0.082 0.000 0.885 263 R HN 0.288 nan 8.270 nan 0.000 0.467 264 S N 0.370 116.076 115.700 0.010 0.000 2.593 264 S HA 0.112 4.526 4.470 -0.095 0.000 0.217 264 S C 0.420 175.085 174.600 0.108 0.000 0.966 264 S CA 0.048 58.280 58.200 0.053 0.000 0.914 264 S CB 0.261 63.504 63.200 0.071 0.000 0.776 264 S HN 0.226 nan 8.310 nan 0.000 0.523 265 L N 0.073 121.343 121.223 0.078 0.000 4.759 265 L HA -0.153 4.130 4.340 -0.095 0.000 0.419 265 L C 0.504 177.465 176.870 0.152 0.000 1.093 265 L CA 0.813 55.715 54.840 0.103 0.000 1.037 265 L CB -1.986 40.131 42.059 0.097 0.000 2.095 265 L HN 0.377 nan 8.230 nan 0.000 0.739 266 R N 1.264 121.805 120.500 0.070 0.000 2.390 266 R HA 0.390 4.673 4.340 -0.095 0.000 0.291 266 R C 1.114 177.319 176.300 -0.158 0.000 1.070 266 R CA 0.671 56.653 56.100 -0.197 0.000 1.014 266 R CB 1.083 31.209 30.300 -0.290 0.000 1.007 266 R HN 0.357 nan 8.270 nan 0.000 0.466 267 T N -0.392 114.037 114.554 -0.209 0.000 2.773 267 T HA -0.029 4.264 4.350 -0.095 0.000 0.337 267 T C 1.441 176.086 174.700 -0.092 0.000 1.086 267 T CA 0.064 62.094 62.100 -0.116 0.000 0.998 267 T CB 0.513 69.318 68.868 -0.106 0.000 1.281 267 T HN 0.625 nan 8.240 nan 0.000 0.525 268 S N -1.176 114.501 115.700 -0.038 0.000 2.555 268 S HA -0.033 4.381 4.470 -0.095 0.000 0.230 268 S C 0.667 175.256 174.600 -0.019 0.000 0.978 268 S CA 0.030 58.215 58.200 -0.025 0.000 0.934 268 S CB -0.757 62.443 63.200 0.001 0.000 0.766 268 S HN 0.868 nan 8.310 nan 0.000 0.533 269 H N 0.881 119.881 119.070 -0.117 0.000 2.538 269 H HA 0.628 5.127 4.556 -0.094 0.000 0.353 269 H C -0.186 175.049 175.328 -0.156 0.000 1.109 269 H CA -0.476 55.506 56.048 -0.109 0.000 1.192 269 H CB 1.778 31.493 29.762 -0.078 0.000 1.555 269 H HN 0.262 nan 8.280 nan 0.000 0.518 270 A N 3.397 126.040 122.820 -0.295 0.000 2.561 270 A HA -0.032 4.231 4.320 -0.095 0.000 0.234 270 A C 0.732 178.346 177.584 0.050 0.000 1.055 270 A CA 0.846 52.794 52.037 -0.148 0.000 0.756 270 A CB -0.473 18.420 19.000 -0.179 0.000 0.986 270 A HN 1.060 nan 8.150 nan 0.000 0.505 271 N N -1.583 117.077 118.700 -0.066 0.000 2.828 271 N HA -0.172 4.512 4.740 -0.095 0.000 0.248 271 N C -0.702 174.784 175.510 -0.039 0.000 1.044 271 N CA 1.442 54.526 53.050 0.057 0.000 0.851 271 N CB -1.504 37.125 38.487 0.236 0.000 1.136 271 N HN 0.665 nan 8.380 nan 0.000 0.572 272 I N 0.334 120.742 120.570 -0.269 0.000 2.447 272 I HA 0.394 4.507 4.170 -0.095 0.000 0.287 272 I C -0.553 175.282 176.117 -0.469 0.000 1.023 272 I CA -0.817 60.312 61.300 -0.285 0.000 1.083 272 I CB 0.976 38.856 38.000 -0.200 0.000 1.245 272 I HN -0.081 nan 8.210 nan 0.000 0.434 273 Y N 3.974 124.157 120.300 -0.194 0.000 2.587 273 Y HA 0.863 5.355 4.550 -0.096 0.000 0.337 273 Y C 0.202 175.966 175.900 -0.226 0.000 1.065 273 Y CA -1.024 56.973 58.100 -0.172 0.000 1.126 273 Y CB 2.071 40.435 38.460 -0.160 0.000 1.279 273 Y HN 0.577 nan 8.280 nan 0.000 0.489 274 A N 1.974 124.780 122.820 -0.023 0.000 2.520 274 A HA 0.869 5.133 4.320 -0.095 0.000 0.298 274 A C -1.682 175.859 177.584 -0.071 0.000 1.051 274 A CA -0.653 51.308 52.037 -0.128 0.000 0.690 274 A CB 1.447 20.347 19.000 -0.167 0.000 1.281 274 A HN 0.865 nan 8.150 nan 0.000 0.402 275 L N -0.174 120.991 121.223 -0.096 0.000 2.568 275 L HA 0.963 5.246 4.340 -0.095 0.000 0.257 275 L C 0.308 177.148 176.870 -0.050 0.000 1.024 275 L CA 0.003 54.812 54.840 -0.052 0.000 0.854 275 L CB 1.647 43.679 42.059 -0.045 0.000 1.460 275 L HN 2.473 nan 8.230 nan 0.000 0.409 276 G N 1.270 110.052 108.800 -0.029 0.000 2.512 276 G HA2 -0.248 3.655 3.960 -0.095 0.000 0.240 276 G HA3 -0.248 3.655 3.960 -0.095 0.000 0.240 276 G C 0.024 174.924 174.900 -0.000 0.000 1.246 276 G CA 0.489 45.574 45.100 -0.026 0.000 0.919 276 G HN 0.895 nan 8.290 nan 0.000 0.577 277 D N -0.029 120.384 120.400 0.022 0.000 2.218 277 D HA -0.089 4.494 4.640 -0.095 0.000 0.204 277 D C 2.568 178.915 176.300 0.080 0.000 0.976 277 D CA 2.158 56.188 54.000 0.051 0.000 0.853 277 D CB -0.552 40.288 40.800 0.067 0.000 0.939 277 D HN 0.921 nan 8.370 nan 0.000 0.481 278 C N -0.201 119.157 119.300 0.096 0.000 2.514 278 C HA 0.569 4.972 4.460 -0.095 0.000 0.271 278 C C 1.270 176.312 174.990 0.087 0.000 1.399 278 C CA -0.502 58.603 59.018 0.146 0.000 1.765 278 C CB -0.987 26.890 27.740 0.228 0.000 1.893 278 C HN 0.133 nan 8.230 nan 0.000 0.531 279 A N 1.066 123.909 122.820 0.040 0.000 2.301 279 A HA 0.573 4.836 4.320 -0.095 0.000 0.312 279 A C -0.169 177.439 177.584 0.041 0.000 1.182 279 A CA -0.183 51.869 52.037 0.025 0.000 0.826 279 A CB 0.220 19.221 19.000 0.001 0.000 1.134 279 A HN 0.634 nan 8.150 nan 0.000 0.501 280 E N 2.737 122.960 120.200 0.038 0.000 2.063 280 E HA 0.438 4.731 4.350 -0.095 0.000 0.265 280 E C -1.374 175.238 176.600 0.020 0.000 0.919 280 E CA -0.414 56.008 56.400 0.038 0.000 0.756 280 E CB 0.766 30.490 29.700 0.041 0.000 1.120 280 E HN 0.388 nan 8.360 nan 0.000 0.414 281 V N 5.058 124.984 119.914 0.019 0.000 2.339 281 V HA 0.047 4.110 4.120 -0.095 0.000 0.261 281 V C 0.339 176.391 176.094 -0.069 0.000 1.058 281 V CA -0.182 62.104 62.300 -0.023 0.000 0.897 281 V CB 0.518 32.332 31.823 -0.015 0.000 1.052 281 V HN 0.928 nan 8.190 nan 0.000 0.480 282 D N 4.498 124.862 120.400 -0.060 0.000 2.708 282 D HA -0.185 4.398 4.640 -0.095 0.000 0.236 282 D C 1.218 177.492 176.300 -0.042 0.000 1.146 282 D CA 1.925 55.888 54.000 -0.063 0.000 0.662 282 D CB -1.106 39.630 40.800 -0.105 0.000 1.059 282 D HN 1.331 nan 8.370 nan 0.000 0.428 283 G N -1.456 107.335 108.800 -0.015 0.000 2.175 283 G HA2 -0.279 3.624 3.960 -0.095 0.000 0.244 283 G HA3 -0.279 3.624 3.960 -0.095 0.000 0.244 283 G C 0.249 175.161 174.900 0.021 0.000 0.982 283 G CA 0.136 45.239 45.100 0.004 0.000 0.641 283 G HN 0.575 nan 8.290 nan 0.000 0.527 284 L N 1.519 122.756 121.223 0.023 0.000 2.337 284 L HA 0.459 4.742 4.340 -0.095 0.000 0.269 284 L C -0.045 176.876 176.870 0.085 0.000 1.018 284 L CA -0.814 54.065 54.840 0.066 0.000 0.876 284 L CB 1.325 43.437 42.059 0.087 0.000 1.236 284 L HN 0.200 nan 8.230 nan 0.000 0.436 285 N N 4.737 123.482 118.700 0.075 0.000 2.500 285 N HA 0.417 5.100 4.740 -0.095 0.000 0.236 285 N C -1.348 174.207 175.510 0.075 0.000 1.022 285 N CA -0.175 52.917 53.050 0.070 0.000 0.935 285 N CB 0.515 39.040 38.487 0.063 0.000 1.147 285 N HN 0.429 nan 8.380 nan 0.000 0.512 286 L N 4.307 125.557 121.223 0.045 0.000 2.345 286 L HA 0.370 4.653 4.340 -0.095 0.000 0.274 286 L C -0.086 176.766 176.870 -0.030 0.000 0.999 286 L CA -0.644 54.207 54.840 0.018 0.000 0.849 286 L CB 1.473 43.457 42.059 -0.125 0.000 1.220 286 L HN 0.428 nan 8.230 nan 0.000 0.422 287 L N 5.179 126.473 121.223 0.118 0.000 2.672 287 L HA 0.216 4.499 4.340 -0.095 0.000 0.238 287 L C -0.561 176.436 176.870 0.213 0.000 1.392 287 L CA -0.240 54.669 54.840 0.114 0.000 1.238 287 L CB -1.338 40.786 42.059 0.108 0.000 1.548 287 L HN 0.517 nan 8.230 nan 0.000 0.423 288 Y N -3.815 116.465 120.300 -0.034 0.000 2.655 288 Y HA 0.491 4.983 4.550 -0.096 0.000 0.336 288 Y C 0.530 176.389 175.900 -0.068 0.000 1.154 288 Y CA -1.334 56.736 58.100 -0.051 0.000 1.055 288 Y CB 0.524 38.951 38.460 -0.054 0.000 1.295 288 Y HN -0.232 nan 8.280 nan 0.000 0.465 289 V N 1.051 121.001 119.914 0.060 0.000 2.358 289 V HA -0.265 3.798 4.120 -0.095 0.000 0.246 289 V C 2.303 178.326 176.094 -0.119 0.000 1.047 289 V CA 2.523 64.800 62.300 -0.038 0.000 1.035 289 V CB -0.639 31.182 31.823 -0.004 0.000 0.658 289 V HN 0.998 nan 8.190 nan 0.000 0.452 290 M N 0.229 119.769 119.600 -0.100 0.000 2.088 290 M HA -0.157 4.266 4.480 -0.095 0.000 0.256 290 M C -0.077 176.017 176.300 -0.343 0.000 1.071 290 M CA 2.610 57.813 55.300 -0.161 0.000 1.097 290 M CB -1.115 31.456 32.600 -0.048 0.000 1.315 290 M HN 0.288 nan 8.290 nan 0.000 0.406 291 P HA -0.148 nan 4.420 nan 0.000 0.219 291 P C 1.668 178.750 177.300 -0.364 0.000 1.150 291 P CA 1.226 63.855 63.100 -0.785 0.000 0.814 291 P CB -0.403 30.673 31.700 -1.040 0.000 0.787 292 L N -1.512 119.552 121.223 -0.265 0.000 2.083 292 L HA -0.123 4.161 4.340 -0.095 0.000 0.209 292 L C 2.321 179.140 176.870 -0.085 0.000 1.083 292 L CA 1.658 56.420 54.840 -0.130 0.000 0.752 292 L CB -0.599 41.396 42.059 -0.108 0.000 0.899 292 L HN -0.157 nan 8.230 nan 0.000 0.433 293 M N -0.028 119.515 119.600 -0.095 0.000 2.175 293 M HA -0.117 4.306 4.480 -0.095 0.000 0.264 293 M C 2.515 178.794 176.300 -0.035 0.000 1.063 293 M CA 1.707 56.974 55.300 -0.054 0.000 1.119 293 M CB -1.481 31.089 32.600 -0.050 0.000 1.377 293 M HN 0.481 nan 8.290 nan 0.000 0.415 294 A N -0.662 122.128 122.820 -0.050 0.000 1.933 294 A HA -0.168 4.095 4.320 -0.095 0.000 0.218 294 A C 2.509 180.126 177.584 0.054 0.000 1.175 294 A CA 1.725 53.770 52.037 0.013 0.000 0.628 294 A CB -1.177 17.847 19.000 0.040 0.000 0.814 294 A HN 0.563 nan 8.150 nan 0.000 0.444 295 C N -1.101 118.230 119.300 0.053 0.000 2.446 295 C HA 0.108 4.512 4.460 -0.095 0.000 0.277 295 C C 3.306 178.303 174.990 0.011 0.000 1.275 295 C CA 0.677 59.727 59.018 0.054 0.000 1.727 295 C CB -1.278 26.494 27.740 0.053 0.000 2.010 295 C HN 0.703 nan 8.230 nan 0.000 0.486 296 A N 0.521 123.340 122.820 -0.002 0.000 1.898 296 A HA -0.161 4.102 4.320 -0.095 0.000 0.216 296 A C 2.248 179.837 177.584 0.008 0.000 1.181 296 A CA 1.289 53.322 52.037 -0.006 0.000 0.620 296 A CB -0.489 18.510 19.000 -0.002 0.000 0.819 296 A HN 0.650 nan 8.150 nan 0.000 0.442 297 R N -0.663 119.845 120.500 0.014 0.000 2.075 297 R HA -0.061 4.222 4.340 -0.095 0.000 0.232 297 R C 2.491 178.803 176.300 0.020 0.000 1.126 297 R CA 1.232 57.344 56.100 0.020 0.000 0.963 297 R CB -0.394 29.917 30.300 0.018 0.000 0.858 297 R HN 0.514 nan 8.270 nan 0.000 0.435 298 A N 1.188 124.019 122.820 0.019 0.000 1.897 298 A HA -0.097 4.166 4.320 -0.095 0.000 0.215 298 A C 2.110 179.690 177.584 -0.007 0.000 1.181 298 A CA 0.794 52.840 52.037 0.014 0.000 0.620 298 A CB -0.492 18.522 19.000 0.023 0.000 0.821 298 A HN 0.318 nan 8.150 nan 0.000 0.443 299 L N -0.674 120.531 121.223 -0.029 0.000 2.093 299 L HA -0.108 4.175 4.340 -0.095 0.000 0.208 299 L C 2.749 179.557 176.870 -0.104 0.000 1.085 299 L CA 1.422 56.201 54.840 -0.103 0.000 0.755 299 L CB -0.429 41.547 42.059 -0.138 0.000 0.904 299 L HN 0.398 nan 8.230 nan 0.000 0.435 300 A N -0.261 122.550 122.820 -0.014 0.000 1.873 300 A HA -0.292 3.971 4.320 -0.095 0.000 0.218 300 A C 2.132 179.793 177.584 0.128 0.000 1.193 300 A CA 1.953 54.054 52.037 0.107 0.000 0.629 300 A CB -0.657 18.426 19.000 0.138 0.000 0.826 300 A HN 0.603 nan 8.150 nan 0.000 0.447 301 Q N -0.671 119.164 119.800 0.058 0.000 2.061 301 Q HA -0.158 4.125 4.340 -0.095 0.000 0.204 301 Q C 2.278 178.299 176.000 0.035 0.000 0.984 301 Q CA 2.172 58.002 55.803 0.045 0.000 0.846 301 Q CB -1.203 27.549 28.738 0.024 0.000 0.902 301 Q HN 0.709 nan 8.270 nan 0.000 0.421 302 T N 2.193 116.742 114.554 -0.007 0.000 2.708 302 T HA -0.097 4.196 4.350 -0.095 0.000 0.266 302 T C 2.132 176.804 174.700 -0.048 0.000 1.037 302 T CA 0.993 63.076 62.100 -0.030 0.000 1.146 302 T CB -0.324 68.509 68.868 -0.058 0.000 0.865 302 T HN 0.164 nan 8.240 nan 0.000 0.435 303 L N 0.725 121.877 121.223 -0.118 0.000 2.127 303 L HA -0.050 4.233 4.340 -0.095 0.000 0.211 303 L C 2.614 179.587 176.870 0.172 0.000 1.089 303 L CA 1.053 55.824 54.840 -0.114 0.000 0.757 303 L CB -0.505 41.336 42.059 -0.363 0.000 0.899 303 L HN 0.228 nan 8.230 nan 0.000 0.434 304 A N -0.479 122.498 122.820 0.262 0.000 2.302 304 A HA 0.371 4.634 4.320 -0.095 0.000 0.219 304 A C 1.539 179.186 177.584 0.105 0.000 1.243 304 A CA 0.598 52.771 52.037 0.227 0.000 0.856 304 A CB -0.467 18.610 19.000 0.127 0.000 0.893 304 A HN 0.515 nan 8.150 nan 0.000 0.491 305 G N -0.407 108.442 108.800 0.082 0.000 2.132 305 G HA2 -0.233 3.670 3.960 -0.095 0.000 0.228 305 G HA3 -0.233 3.670 3.960 -0.095 0.000 0.228 305 G C -0.137 174.785 174.900 0.038 0.000 1.000 305 G CA 0.217 45.350 45.100 0.055 0.000 0.693 305 G HN 0.739 nan 8.290 nan 0.000 0.515 306 N N 0.654 119.375 118.700 0.035 0.000 2.804 306 N HA 0.515 5.198 4.740 -0.095 0.000 0.251 306 N C -2.723 172.800 175.510 0.022 0.000 1.250 306 N CA -1.931 51.134 53.050 0.024 0.000 0.820 306 N CB 1.454 39.953 38.487 0.020 0.000 1.156 306 N HN 0.017 nan 8.380 nan 0.000 0.512 307 P HA 0.030 nan 4.420 nan 0.000 0.256 307 P C -0.937 176.374 177.300 0.019 0.000 1.173 307 P CA 0.572 63.688 63.100 0.026 0.000 0.768 307 P CB 0.454 32.171 31.700 0.028 0.000 0.758 308 S N 2.668 118.379 115.700 0.018 0.000 2.548 308 S HA 0.544 4.957 4.470 -0.095 0.000 0.286 308 S C -0.867 173.741 174.600 0.013 0.000 1.098 308 S CA -0.827 57.381 58.200 0.014 0.000 0.930 308 S CB 1.817 65.025 63.200 0.013 0.000 1.070 308 S HN 0.398 nan 8.310 nan 0.000 0.480 309 Q N 0.826 120.631 119.800 0.008 0.000 2.356 309 Q HA 0.614 4.897 4.340 -0.095 0.000 0.270 309 Q C -0.312 175.687 176.000 -0.002 0.000 1.058 309 Q CA -1.017 54.785 55.803 -0.001 0.000 0.802 309 Q CB 1.132 29.863 28.738 -0.012 0.000 1.303 309 Q HN 0.534 nan 8.270 nan 0.000 0.444 310 V N -0.838 119.071 119.914 -0.009 0.000 3.051 310 V HA 0.812 4.876 4.120 -0.095 0.000 0.306 310 V C 0.077 176.144 176.094 -0.045 0.000 1.083 310 V CA -0.093 62.214 62.300 0.012 0.000 1.104 310 V CB 0.736 32.590 31.823 0.051 0.000 1.027 310 V HN 0.988 nan 8.190 nan 0.000 0.483 311 A N 2.858 125.691 122.820 0.021 0.000 2.768 311 A HA 0.589 4.852 4.320 -0.095 0.000 0.298 311 A C -0.944 176.722 177.584 0.136 0.000 1.159 311 A CA -0.557 51.478 52.037 -0.003 0.000 0.783 311 A CB 0.202 19.205 19.000 0.005 0.000 1.333 311 A HN 0.718 nan 8.150 nan 0.000 0.412 312 Y N 1.314 121.609 120.300 -0.009 0.000 2.650 312 Y HA 0.336 4.830 4.550 -0.095 0.000 0.331 312 Y C 1.398 177.301 175.900 0.005 0.000 1.165 312 Y CA 0.482 58.577 58.100 -0.007 0.000 1.473 312 Y CB 0.002 38.453 38.460 -0.014 0.000 1.224 312 Y HN 0.688 nan 8.280 nan 0.000 0.533 313 G N 4.384 113.281 108.800 0.161 0.000 2.489 313 G HA2 0.341 4.244 3.960 -0.095 0.000 0.271 313 G HA3 0.341 4.244 3.960 -0.095 0.000 0.271 313 G C -2.658 172.299 174.900 0.096 0.000 1.427 313 G CA -1.476 43.684 45.100 0.100 0.000 1.057 313 G HN 0.369 nan 8.290 nan 0.000 0.532 314 P HA 0.232 nan 4.420 nan 0.000 0.271 314 P C -0.495 176.845 177.300 0.067 0.000 1.216 314 P CA 0.530 63.671 63.100 0.068 0.000 0.771 314 P CB 0.605 32.344 31.700 0.065 0.000 0.864 315 M N 4.536 124.185 119.600 0.081 0.000 2.126 315 M HA 0.296 4.719 4.480 -0.095 0.000 0.217 315 M C -2.537 173.833 176.300 0.117 0.000 0.873 315 M CA -1.841 53.533 55.300 0.124 0.000 0.707 315 M CB 1.606 34.288 32.600 0.137 0.000 1.515 315 M HN 0.107 nan 8.290 nan 0.000 0.369 316 P HA 0.140 nan 4.420 nan 0.000 0.269 316 P C -0.677 176.550 177.300 -0.121 0.000 1.215 316 P CA -0.354 62.711 63.100 -0.058 0.000 0.780 316 P CB 0.796 32.518 31.700 0.037 0.000 0.898 317 V N 2.427 122.208 119.914 -0.222 0.000 2.370 317 V HA 0.249 4.312 4.120 -0.095 0.000 0.279 317 V C 0.202 176.209 176.094 -0.144 0.000 1.029 317 V CA -0.105 62.006 62.300 -0.315 0.000 0.870 317 V CB 1.282 32.849 31.823 -0.427 0.000 0.984 317 V HN 0.499 nan 8.190 nan 0.000 0.451 318 T N 4.934 119.423 114.554 -0.109 0.000 2.781 318 T HA 0.388 4.681 4.350 -0.095 0.000 0.305 318 T C -0.114 174.548 174.700 -0.063 0.000 1.001 318 T CA -0.262 61.808 62.100 -0.050 0.000 0.950 318 T CB 0.982 69.838 68.868 -0.020 0.000 0.955 318 T HN 0.341 nan 8.240 nan 0.000 0.471 319 V N 5.034 124.917 119.914 -0.052 0.000 2.461 319 V HA 0.217 4.280 4.120 -0.095 0.000 0.275 319 V C 0.787 176.858 176.094 -0.039 0.000 1.047 319 V CA -0.622 61.645 62.300 -0.055 0.000 0.955 319 V CB 0.769 32.564 31.823 -0.047 0.000 0.988 319 V HN 0.753 nan 8.190 nan 0.000 0.471 320 K N 3.429 123.798 120.400 -0.051 0.000 2.502 320 K HA 0.195 4.458 4.320 -0.095 0.000 0.244 320 K C 0.219 176.803 176.600 -0.026 0.000 1.249 320 K CA -0.073 56.189 56.287 -0.040 0.000 1.193 320 K CB -0.136 32.329 32.500 -0.058 0.000 1.674 320 K HN 0.830 nan 8.250 nan 0.000 0.302 321 T N -1.730 112.819 114.554 -0.009 0.000 3.154 321 T HA 0.237 4.530 4.350 -0.095 0.000 0.381 321 T C -2.234 172.477 174.700 0.018 0.000 1.368 321 T CA -2.254 59.853 62.100 0.011 0.000 1.155 321 T CB 1.280 70.159 68.868 0.018 0.000 1.120 321 T HN -0.027 nan 8.240 nan 0.000 0.570 322 P HA -0.043 nan 4.420 nan 0.000 0.219 322 P C 1.696 179.012 177.300 0.026 0.000 1.146 322 P CA 0.841 63.956 63.100 0.024 0.000 0.808 322 P CB -0.010 31.709 31.700 0.031 0.000 0.779 323 A N -1.978 120.862 122.820 0.033 0.000 2.015 323 A HA -0.102 4.162 4.320 -0.095 0.000 0.219 323 A C 1.249 178.850 177.584 0.028 0.000 1.163 323 A CA 1.240 53.298 52.037 0.035 0.000 0.646 323 A CB -0.949 18.079 19.000 0.047 0.000 0.806 323 A HN 0.395 nan 8.150 nan 0.000 0.448 324 C N 0.248 119.563 119.300 0.025 0.000 3.027 324 C HA 0.525 4.928 4.460 -0.095 0.000 0.350 324 C C -3.088 171.910 174.990 0.013 0.000 1.042 324 C CA -2.263 56.765 59.018 0.016 0.000 1.350 324 C CB 0.234 27.982 27.740 0.013 0.000 1.809 324 C HN 0.228 nan 8.230 nan 0.000 0.513 325 P HA 0.249 nan 4.420 nan 0.000 0.265 325 P C -0.810 176.497 177.300 0.012 0.000 1.187 325 P CA 0.400 63.506 63.100 0.010 0.000 0.766 325 P CB 0.407 32.112 31.700 0.008 0.000 0.820 326 L N 2.880 124.111 121.223 0.013 0.000 2.493 326 L HA 0.610 4.893 4.340 -0.095 0.000 0.265 326 L C -1.764 175.126 176.870 0.032 0.000 0.954 326 L CA -0.873 53.980 54.840 0.022 0.000 0.844 326 L CB 1.987 44.051 42.059 0.008 0.000 1.302 326 L HN 0.022 nan 8.230 nan 0.000 0.405 327 V N 4.982 124.943 119.914 0.078 0.000 2.577 327 V HA 0.587 4.650 4.120 -0.095 0.000 0.303 327 V C -0.716 175.492 176.094 0.190 0.000 1.042 327 V CA -0.639 61.735 62.300 0.123 0.000 0.872 327 V CB 1.989 33.919 31.823 0.179 0.000 0.998 327 V HN 0.537 nan 8.190 nan 0.000 0.423 328 V N 3.663 123.598 119.914 0.034 0.000 2.709 328 V HA 0.773 4.836 4.120 -0.095 0.000 0.308 328 V C -0.469 175.452 176.094 -0.289 0.000 1.062 328 V CA 0.062 62.314 62.300 -0.080 0.000 0.901 328 V CB 2.460 34.251 31.823 -0.052 0.000 1.003 328 V HN 0.922 nan 8.190 nan 0.000 0.425 329 S N 8.061 123.435 115.700 -0.545 0.000 2.539 329 S HA 0.623 5.037 4.470 -0.095 0.000 0.235 329 S C -2.804 171.669 174.600 -0.212 0.000 1.326 329 S CA -1.200 56.719 58.200 -0.469 0.000 1.183 329 S CB 1.279 64.014 63.200 -0.775 0.000 1.073 329 S HN 0.702 nan 8.310 nan 0.000 0.480 330 P HA 0.245 nan 4.420 nan 0.000 0.269 330 P C -2.572 174.768 177.300 0.066 0.000 1.209 330 P CA -1.159 61.996 63.100 0.091 0.000 0.776 330 P CB -0.185 31.560 31.700 0.075 0.000 0.876 331 P HA 0.142 nan 4.420 nan 0.000 0.268 331 P C -2.470 174.859 177.300 0.048 0.000 1.205 331 P CA -1.083 62.037 63.100 0.033 0.000 0.771 331 P CB -0.821 30.884 31.700 0.009 0.000 0.858 332 P HA 0.031 nan 4.420 nan 0.000 0.268 332 P C 0.180 177.505 177.300 0.043 0.000 1.208 332 P CA -0.079 63.049 63.100 0.046 0.000 0.777 332 P CB 0.262 31.985 31.700 0.038 0.000 0.875 333 R N 1.508 122.037 120.500 0.047 0.000 2.619 333 R HA 0.187 4.470 4.340 -0.095 0.000 0.268 333 R C 0.871 177.188 176.300 0.028 0.000 0.990 333 R CA 0.508 56.632 56.100 0.040 0.000 1.092 333 R CB -1.217 29.105 30.300 0.037 0.000 0.935 333 R HN 0.777 nan 8.270 nan 0.000 0.415 334 G N 2.047 110.863 108.800 0.026 0.000 2.176 334 G HA2 -0.281 3.622 3.960 -0.095 0.000 0.253 334 G HA3 -0.281 3.622 3.960 -0.095 0.000 0.253 334 G C -0.074 174.834 174.900 0.013 0.000 0.979 334 G CA 0.379 45.490 45.100 0.018 0.000 0.641 334 G HN 0.568 nan 8.290 nan 0.000 0.530 335 M N 0.814 120.423 119.600 0.015 0.000 2.321 335 M HA 0.506 4.929 4.480 -0.095 0.000 0.315 335 M C -1.309 174.992 176.300 0.001 0.000 1.052 335 M CA -0.700 54.600 55.300 0.001 0.000 0.936 335 M CB 1.844 34.439 32.600 -0.008 0.000 1.639 335 M HN 0.036 nan 8.290 nan 0.000 0.433 336 D N 1.153 121.547 120.400 -0.011 0.000 2.269 336 D HA 0.861 5.444 4.640 -0.095 0.000 0.244 336 D C -0.311 175.954 176.300 -0.059 0.000 0.992 336 D CA -0.076 53.917 54.000 -0.012 0.000 0.894 336 D CB 2.193 42.996 40.800 0.005 0.000 1.248 336 D HN 0.794 nan 8.370 nan 0.000 0.468 337 G N -0.209 108.537 108.800 -0.090 0.000 2.523 337 G HA2 0.504 4.407 3.960 -0.095 0.000 0.291 337 G HA3 0.504 4.407 3.960 -0.095 0.000 0.291 337 G C -1.759 173.035 174.900 -0.177 0.000 1.450 337 G CA -0.963 44.042 45.100 -0.158 0.000 0.790 337 G HN 0.450 nan 8.290 nan 0.000 0.496 338 Q N -0.720 118.985 119.800 -0.158 0.000 2.235 338 Q HA 0.623 4.906 4.340 -0.095 0.000 0.250 338 Q C -1.295 174.612 176.000 -0.156 0.000 0.909 338 Q CA -0.673 55.089 55.803 -0.069 0.000 0.910 338 Q CB 1.729 30.464 28.738 -0.004 0.000 1.223 338 Q HN 0.538 nan 8.270 nan 0.000 0.432 339 W N 2.403 123.734 121.300 0.052 0.000 2.365 339 W HA 0.550 5.153 4.660 -0.095 0.000 0.316 339 W C -1.058 175.459 176.519 -0.003 0.000 1.164 339 W CA -0.602 56.763 57.345 0.034 0.000 1.204 339 W CB 1.088 30.627 29.460 0.131 0.000 1.213 339 W HN 0.486 nan 8.180 nan 0.000 0.539 340 L N 3.373 124.696 121.223 0.168 0.000 2.438 340 L HA 0.483 4.766 4.340 -0.095 0.000 0.270 340 L C -0.900 175.985 176.870 0.025 0.000 0.972 340 L CA -0.788 54.099 54.840 0.077 0.000 0.831 340 L CB 2.053 44.135 42.059 0.039 0.000 1.273 340 L HN 0.123 nan 8.230 nan 0.000 0.405 341 V N 4.187 124.100 119.914 -0.003 0.000 2.353 341 V HA 0.375 4.438 4.120 -0.095 0.000 0.264 341 V C 0.224 176.313 176.094 -0.007 0.000 1.049 341 V CA -0.559 61.720 62.300 -0.034 0.000 0.896 341 V CB 0.709 32.508 31.823 -0.039 0.000 1.025 341 V HN 0.714 nan 8.190 nan 0.000 0.475 342 E N 2.929 123.125 120.200 -0.007 0.000 2.239 342 E HA 0.713 5.007 4.350 -0.095 0.000 0.261 342 E C 0.578 177.174 176.600 -0.007 0.000 1.016 342 E CA -0.027 56.370 56.400 -0.005 0.000 0.882 342 E CB 1.711 31.407 29.700 -0.006 0.000 1.190 342 E HN 0.943 nan 8.360 nan 0.000 0.415 343 G N 0.555 109.351 108.800 -0.007 0.000 2.860 343 G HA2 -0.164 3.740 3.960 -0.095 0.000 0.553 343 G HA3 -0.164 3.740 3.960 -0.095 0.000 0.553 343 G C -0.578 174.319 174.900 -0.004 0.000 1.439 343 G CA -0.168 44.928 45.100 -0.007 0.000 0.879 343 G HN 0.484 nan 8.290 nan 0.000 0.545 344 S N -0.298 115.399 115.700 -0.004 0.000 2.541 344 S HA 0.866 5.279 4.470 -0.095 0.000 0.280 344 S C 1.018 175.617 174.600 -0.002 0.000 1.112 344 S CA 1.276 59.475 58.200 -0.002 0.000 0.925 344 S CB 1.147 64.346 63.200 -0.001 0.000 1.067 344 S HN 2.932 nan 8.310 nan 0.000 0.479 345 G N 3.100 111.899 108.800 -0.002 0.000 2.652 345 G HA2 -0.345 3.558 3.960 -0.095 0.000 0.278 345 G HA3 -0.345 3.558 3.960 -0.095 0.000 0.278 345 G C 1.065 175.963 174.900 -0.004 0.000 1.263 345 G CA 1.306 46.405 45.100 -0.003 0.000 0.966 345 G HN 1.829 nan 8.290 nan 0.000 0.544 346 T N -1.797 112.756 114.554 -0.003 0.000 3.051 346 T HA 0.283 4.576 4.350 -0.095 0.000 0.255 346 T C 0.554 175.253 174.700 -0.002 0.000 1.085 346 T CA 1.499 63.598 62.100 -0.002 0.000 1.109 346 T CB 0.198 69.066 68.868 0.000 0.000 0.921 346 T HN 0.389 nan 8.240 nan 0.000 0.488 347 D N 2.779 123.177 120.400 -0.003 0.000 2.564 347 D HA 0.328 4.912 4.640 -0.095 0.000 0.226 347 D C -0.561 175.735 176.300 -0.006 0.000 1.149 347 D CA -0.234 53.763 54.000 -0.005 0.000 0.994 347 D CB 0.503 41.299 40.800 -0.006 0.000 1.029 347 D HN 0.289 nan 8.370 nan 0.000 0.517 348 L N 0.928 122.150 121.223 -0.003 0.000 2.317 348 L HA 0.436 4.719 4.340 -0.095 0.000 0.281 348 L C 0.411 177.281 176.870 0.000 0.000 1.024 348 L CA -0.587 54.252 54.840 -0.003 0.000 0.810 348 L CB 1.781 43.839 42.059 -0.002 0.000 1.240 348 L HN 0.096 nan 8.230 nan 0.000 0.427 349 K N 2.587 122.985 120.400 -0.003 0.000 2.559 349 K HA 0.540 4.803 4.320 -0.095 0.000 0.249 349 K C -1.523 175.089 176.600 0.020 0.000 0.958 349 K CA -0.406 55.884 56.287 0.005 0.000 0.901 349 K CB 1.319 33.809 32.500 -0.018 0.000 1.124 349 K HN 0.378 nan 8.250 nan 0.000 0.437 350 V N 6.228 126.178 119.914 0.060 0.000 2.328 350 V HA 0.385 4.449 4.120 -0.095 0.000 0.278 350 V C -0.229 176.012 176.094 0.244 0.000 1.021 350 V CA -0.811 61.539 62.300 0.083 0.000 0.838 350 V CB 0.865 32.656 31.823 -0.052 0.000 0.999 350 V HN 0.661 nan 8.190 nan 0.000 0.447 351 L N 4.181 125.500 121.223 0.159 0.000 2.317 351 L HA 0.557 4.840 4.340 -0.095 0.000 0.281 351 L C -0.191 176.591 176.870 -0.147 0.000 1.024 351 L CA -0.318 54.562 54.840 0.067 0.000 0.810 351 L CB 1.867 43.930 42.059 0.007 0.000 1.240 351 L HN 0.680 nan 8.230 nan 0.000 0.427 352 C N 4.117 123.112 119.300 -0.508 0.000 2.281 352 C HA 0.536 4.939 4.460 -0.095 0.000 0.325 352 C C 0.129 174.852 174.990 -0.446 0.000 1.282 352 C CA -0.533 57.929 59.018 -0.927 0.000 1.640 352 C CB 0.041 26.734 27.740 -1.745 0.000 2.288 352 C HN 0.815 nan 8.230 nan 0.000 0.507 353 R N 3.953 124.258 120.500 -0.325 0.000 2.562 353 R HA 0.447 4.730 4.340 -0.095 0.000 0.298 353 R C -0.325 175.880 176.300 -0.158 0.000 0.961 353 R CA -0.494 55.496 56.100 -0.184 0.000 0.881 353 R CB 1.583 31.814 30.300 -0.116 0.000 1.159 353 R HN 0.850 nan 8.270 nan 0.000 0.450 354 D N 0.413 120.745 120.400 -0.115 0.000 2.372 354 D HA -0.083 4.500 4.640 -0.095 0.000 0.243 354 D C 1.199 177.463 176.300 -0.059 0.000 1.297 354 D CA -0.227 53.724 54.000 -0.081 0.000 0.958 354 D CB 0.289 41.053 40.800 -0.060 0.000 1.114 354 D HN 0.571 nan 8.370 nan 0.000 0.496 355 T N -3.724 110.804 114.554 -0.042 0.000 2.881 355 T HA -0.113 4.180 4.350 -0.095 0.000 0.270 355 T C 1.732 176.417 174.700 -0.026 0.000 1.068 355 T CA 1.093 63.176 62.100 -0.030 0.000 1.131 355 T CB -0.644 68.212 68.868 -0.020 0.000 0.871 355 T HN 0.532 nan 8.240 nan 0.000 0.479 356 A N 0.687 123.490 122.820 -0.027 0.000 2.169 356 A HA 0.568 4.831 4.320 -0.095 0.000 0.212 356 A C 2.142 179.711 177.584 -0.025 0.000 1.153 356 A CA 0.792 52.816 52.037 -0.023 0.000 0.756 356 A CB -0.926 18.062 19.000 -0.020 0.000 0.813 356 A HN 1.408 nan 8.150 nan 0.000 0.471 357 G N -1.171 107.609 108.800 -0.033 0.000 2.176 357 G HA2 -0.219 3.684 3.960 -0.095 0.000 0.232 357 G HA3 -0.219 3.684 3.960 -0.095 0.000 0.232 357 G C 0.256 175.133 174.900 -0.038 0.000 0.986 357 G CA 0.055 45.134 45.100 -0.035 0.000 0.643 357 G HN 0.579 nan 8.290 nan 0.000 0.522 358 R N 0.231 120.708 120.500 -0.039 0.000 2.340 358 R HA 0.488 4.772 4.340 -0.095 0.000 0.300 358 R C 0.519 176.790 176.300 -0.049 0.000 1.069 358 R CA -0.458 55.621 56.100 -0.035 0.000 0.984 358 R CB 1.521 31.805 30.300 -0.026 0.000 1.003 358 R HN 0.076 nan 8.270 nan 0.000 0.459 359 V N 5.888 125.781 119.914 -0.036 0.000 2.479 359 V HA -0.011 4.052 4.120 -0.095 0.000 0.281 359 V C 1.352 177.428 176.094 -0.029 0.000 1.031 359 V CA 0.505 62.784 62.300 -0.035 0.000 1.038 359 V CB 0.213 32.041 31.823 0.008 0.000 0.981 359 V HN 0.775 nan 8.190 nan 0.000 0.478 360 I N 1.943 122.466 120.570 -0.078 0.000 4.323 360 I HA 0.690 4.803 4.170 -0.095 0.000 0.328 360 I C 0.804 176.874 176.117 -0.078 0.000 1.310 360 I CA 0.217 61.475 61.300 -0.070 0.000 1.186 360 I CB 0.684 38.628 38.000 -0.094 0.000 1.130 360 I HN 0.597 nan 8.210 nan 0.000 0.411 361 G N 0.768 109.498 108.800 -0.117 0.000 2.673 361 G HA2 0.592 4.495 3.960 -0.095 0.000 0.292 361 G HA3 0.592 4.495 3.960 -0.095 0.000 0.292 361 G C -1.936 172.978 174.900 0.024 0.000 1.450 361 G CA -0.479 44.560 45.100 -0.102 0.000 0.837 361 G HN 0.291 nan 8.290 nan 0.000 0.505 362 Y N -1.855 118.539 120.300 0.156 0.000 2.656 362 Y HA 0.871 5.365 4.550 -0.095 0.000 0.334 362 Y C -0.684 175.359 175.900 0.239 0.000 1.179 362 Y CA -1.708 56.518 58.100 0.210 0.000 1.050 362 Y CB 1.264 39.773 38.460 0.082 0.000 1.308 362 Y HN 1.357 nan 8.280 nan 0.000 0.456 363 A N 2.354 125.474 122.820 0.500 0.000 2.398 363 A HA 0.819 5.082 4.320 -0.095 0.000 0.301 363 A C -2.088 175.647 177.584 0.252 0.000 1.041 363 A CA -0.784 51.444 52.037 0.318 0.000 0.711 363 A CB 1.080 20.162 19.000 0.136 0.000 1.240 363 A HN 0.780 nan 8.150 nan 0.000 0.420 364 L N 2.185 123.532 121.223 0.207 0.000 2.381 364 L HA 0.733 5.016 4.340 -0.095 0.000 0.274 364 L C 0.244 177.145 176.870 0.052 0.000 0.988 364 L CA -0.545 54.344 54.840 0.081 0.000 0.824 364 L CB 2.496 44.559 42.059 0.007 0.000 1.263 364 L HN 0.864 nan 8.230 nan 0.000 0.410 365 T N -0.886 113.683 114.554 0.025 0.000 2.924 365 T HA 0.831 5.124 4.350 -0.095 0.000 0.291 365 T C 0.543 175.246 174.700 0.005 0.000 1.045 365 T CA 0.058 62.167 62.100 0.014 0.000 1.015 365 T CB 2.012 70.886 68.868 0.009 0.000 1.103 365 T HN 1.011 nan 8.240 nan 0.000 0.496 366 G N 1.532 110.335 108.800 0.004 0.000 2.611 366 G HA2 -0.108 3.795 3.960 -0.095 0.000 0.301 366 G HA3 -0.108 3.795 3.960 -0.095 0.000 0.301 366 G C 1.293 176.191 174.900 -0.003 0.000 1.233 366 G CA 1.079 46.180 45.100 0.001 0.000 0.993 366 G HN 1.856 nan 8.290 nan 0.000 0.553 367 A N -0.416 122.400 122.820 -0.006 0.000 1.948 367 A HA 0.224 4.487 4.320 -0.095 0.000 0.220 367 A C 2.966 180.540 177.584 -0.018 0.000 1.177 367 A CA 3.457 55.487 52.037 -0.010 0.000 0.636 367 A CB -1.002 17.992 19.000 -0.010 0.000 0.815 367 A HN 2.328 nan 8.150 nan 0.000 0.449 368 A N -0.001 122.807 122.820 -0.020 0.000 2.225 368 A HA 0.082 4.345 4.320 -0.095 0.000 0.215 368 A C 2.055 179.609 177.584 -0.050 0.000 1.164 368 A CA 1.530 53.546 52.037 -0.034 0.000 0.710 368 A CB -1.082 17.901 19.000 -0.029 0.000 0.780 368 A HN 1.205 nan 8.150 nan 0.000 0.473 369 V N -2.323 117.572 119.914 -0.032 0.000 2.970 369 V HA -0.112 3.951 4.120 -0.095 0.000 0.260 369 V C 1.191 177.257 176.094 -0.047 0.000 1.100 369 V CA 1.794 64.074 62.300 -0.033 0.000 1.122 369 V CB -0.921 30.900 31.823 -0.003 0.000 0.721 369 V HN 0.497 nan 8.190 nan 0.000 0.483 370 N N 2.167 120.842 118.700 -0.043 0.000 2.515 370 N HA -0.019 4.664 4.740 -0.095 0.000 0.191 370 N C 1.059 176.535 175.510 -0.056 0.000 1.182 370 N CA 1.074 54.101 53.050 -0.039 0.000 0.879 370 N CB -0.048 38.423 38.487 -0.027 0.000 0.984 370 N HN 0.907 nan 8.380 nan 0.000 0.453 371 E N 0.228 120.375 120.200 -0.089 0.000 2.736 371 E HA 0.064 4.357 4.350 -0.095 0.000 0.208 371 E C 0.907 177.397 176.600 -0.184 0.000 0.996 371 E CA -0.246 56.085 56.400 -0.115 0.000 1.104 371 E CB 0.075 29.707 29.700 -0.112 0.000 1.111 371 E HN 0.293 nan 8.360 nan 0.000 0.455 372 K N 0.802 121.108 120.400 -0.156 0.000 2.155 372 K HA -0.055 4.209 4.320 -0.095 0.000 0.203 372 K C 1.740 178.291 176.600 -0.082 0.000 1.052 372 K CA 0.692 56.876 56.287 -0.171 0.000 0.948 372 K CB -0.211 32.264 32.500 -0.041 0.000 0.728 372 K HN 0.150 nan 8.250 nan 0.000 0.448 373 L N 1.031 122.225 121.223 -0.048 0.000 2.072 373 L HA -0.001 4.282 4.340 -0.095 0.000 0.205 373 L C 2.845 179.703 176.870 -0.020 0.000 1.079 373 L CA 0.969 55.800 54.840 -0.015 0.000 0.752 373 L CB -0.536 41.517 42.059 -0.010 0.000 0.906 373 L HN 0.316 nan 8.230 nan 0.000 0.436 374 A N 0.062 122.856 122.820 -0.044 0.000 1.930 374 A HA -0.123 4.140 4.320 -0.095 0.000 0.217 374 A C 2.183 179.743 177.584 -0.039 0.000 1.175 374 A CA 1.177 53.190 52.037 -0.039 0.000 0.627 374 A CB -0.421 18.550 19.000 -0.048 0.000 0.815 374 A HN 0.253 nan 8.150 nan 0.000 0.443 375 L N 0.056 121.232 121.223 -0.079 0.000 2.109 375 L HA -0.099 4.184 4.340 -0.095 0.000 0.207 375 L C 1.833 178.741 176.870 0.063 0.000 1.086 375 L CA 1.391 56.196 54.840 -0.059 0.000 0.760 375 L CB -1.814 40.093 42.059 -0.254 0.000 0.910 375 L HN 0.355 nan 8.230 nan 0.000 0.437 376 N N 0.716 119.465 118.700 0.083 0.000 2.272 376 N HA -0.180 4.503 4.740 -0.095 0.000 0.185 376 N C 1.738 177.295 175.510 0.078 0.000 1.014 376 N CA 1.003 54.130 53.050 0.128 0.000 0.870 376 N CB -0.091 38.460 38.487 0.107 0.000 0.975 376 N HN 0.398 nan 8.380 nan 0.000 0.433 377 K N 0.719 121.146 120.400 0.046 0.000 2.103 377 K HA -0.032 4.231 4.320 -0.095 0.000 0.204 377 K C 1.549 178.168 176.600 0.031 0.000 1.052 377 K CA 0.895 57.201 56.287 0.031 0.000 0.945 377 K CB 0.022 32.532 32.500 0.017 0.000 0.722 377 K HN 0.418 nan 8.250 nan 0.000 0.443 378 E N 1.068 121.287 120.200 0.033 0.000 2.208 378 E HA -0.047 4.246 4.350 -0.095 0.000 0.193 378 E C 0.399 177.020 176.600 0.035 0.000 0.988 378 E CA 0.197 56.613 56.400 0.027 0.000 0.828 378 E CB -0.120 29.592 29.700 0.021 0.000 0.763 378 E HN 0.218 nan 8.360 nan 0.000 0.478 379 L N 3.818 125.076 121.223 0.058 0.000 2.525 379 L HA 0.076 4.359 4.340 -0.095 0.000 0.278 379 L C -1.792 175.101 176.870 0.038 0.000 1.218 379 L CA -1.409 53.465 54.840 0.057 0.000 0.878 379 L CB -0.291 41.819 42.059 0.085 0.000 1.127 379 L HN -0.036 nan 8.230 nan 0.000 0.492 380 P HA 0.150 nan 4.420 nan 0.000 0.276 380 P C -0.139 177.183 177.300 0.037 0.000 1.244 380 P CA -0.408 62.707 63.100 0.025 0.000 0.801 380 P CB 0.790 32.498 31.700 0.014 0.000 1.006 381 G N 0.589 109.415 108.800 0.043 0.000 2.606 381 G HA2 0.213 4.116 3.960 -0.095 0.000 0.252 381 G HA3 0.213 4.116 3.960 -0.095 0.000 0.252 381 G C 1.018 175.961 174.900 0.073 0.000 1.206 381 G CA -0.656 44.483 45.100 0.064 0.000 0.861 381 G HN 0.462 nan 8.290 nan 0.000 0.561 382 L N -0.322 120.971 121.223 0.116 0.000 2.313 382 L HA 0.162 4.445 4.340 -0.095 0.000 0.214 382 L C 1.248 178.169 176.870 0.085 0.000 1.119 382 L CA 0.821 55.739 54.840 0.131 0.000 0.809 382 L CB -0.208 41.988 42.059 0.228 0.000 0.933 382 L HN 0.324 nan 8.230 nan 0.000 0.449 383 M N -0.463 119.172 119.600 0.058 0.000 2.243 383 M HA 0.455 4.878 4.480 -0.095 0.000 0.324 383 M C -0.029 176.270 176.300 -0.001 0.000 1.031 383 M CA -0.376 54.913 55.300 -0.017 0.000 0.949 383 M CB 2.183 34.718 32.600 -0.109 0.000 1.615 383 M HN -0.033 nan 8.290 nan 0.000 0.430 384 A N 0.000 122.815 122.820 -0.008 0.000 2.254 384 A HA 0.000 4.263 4.320 -0.095 0.000 0.244 384 A CA 0.000 52.035 52.037 -0.002 0.000 0.836 384 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 384 A HN 0.000 nan 8.150 nan 0.000 0.486