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 2jjm_1_J DATA FIRST_RESID 2 DATA SEQUENCE KLKIGITCYP XXGGSGVVGT ELGKQLAERG HEIHFITSGL PXXXXKVYPN DATA SEQUENCE IYFHEVTVNX XXXFQYPPYD LALASKMAEV AQRENLDILH VHYAIPHAIC DATA SEQUENCE AYLAKQMIGE RIKIVTTLHG TDITVLGSDP SLNNLIRFGI EQSDVVTAVS DATA SEQUENCE HSLINETHEL VKPNKDIQTV YNFIDERVYF KRDMTQLKKE YGISXXXKIL DATA SEQUENCE IHISNFRKVK RVQDVVQAFA KIVTEVDAKL LLVGDGPEFC TILQLVKNLH DATA SEQUENCE IEDRVLFLGK QDNVAELLAM SDLMLLLSEK ESFGLVLLEA MACGVPCIGT DATA SEQUENCE RVGGIPEVIQ HGDTGYLCEV GDTTGVADQA IQLLKDEELH RNMGERARES DATA SEQUENCE VYEQFRSEKI VSQYETIYYD VLR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.767 176.600 0.278 0.000 0.988 2 K CA 0.000 56.389 56.287 0.170 0.000 0.838 2 K CB 0.000 32.596 32.500 0.160 0.000 1.064 3 L N 1.368 122.821 121.223 0.384 0.000 2.482 3 L HA 0.458 4.798 4.340 -0.000 0.000 0.263 3 L C -1.477 175.429 176.870 0.060 0.000 0.957 3 L CA -0.465 54.469 54.840 0.156 0.000 0.836 3 L CB 2.295 44.305 42.059 -0.081 0.000 1.324 3 L HN 0.215 nan 8.230 nan 0.000 0.406 4 K N 5.279 125.658 120.400 -0.036 0.000 2.299 4 K HA 0.590 4.910 4.320 -0.000 0.000 0.268 4 K C -0.886 175.623 176.600 -0.151 0.000 1.075 4 K CA -0.377 55.885 56.287 -0.042 0.000 0.936 4 K CB 0.674 33.139 32.500 -0.057 0.000 1.228 4 K HN 0.312 nan 8.250 nan 0.000 0.454 5 I N 1.412 121.878 120.570 -0.175 0.000 2.498 5 I HA 0.415 4.585 4.170 -0.000 0.000 0.301 5 I C 0.735 176.719 176.117 -0.221 0.000 0.984 5 I CA -0.887 60.232 61.300 -0.301 0.000 1.204 5 I CB 1.456 39.193 38.000 -0.439 0.000 1.362 5 I HN 0.541 nan 8.210 nan 0.000 0.471 6 G N 5.527 114.184 108.800 -0.239 0.000 2.487 6 G HA2 0.673 4.633 3.960 -0.000 0.000 0.314 6 G HA3 0.673 4.633 3.960 -0.000 0.000 0.314 6 G C -0.939 173.831 174.900 -0.217 0.000 1.267 6 G CA -0.234 44.745 45.100 -0.201 0.000 0.937 6 G HN 0.345 nan 8.290 nan 0.000 0.481 7 I N 1.123 121.505 120.570 -0.313 0.000 2.460 7 I HA 0.526 4.696 4.170 -0.000 0.000 0.298 7 I C 0.300 176.365 176.117 -0.085 0.000 0.989 7 I CA -0.289 60.869 61.300 -0.238 0.000 1.173 7 I CB 2.512 40.262 38.000 -0.417 0.000 1.338 7 I HN 0.267 nan 8.210 nan 0.000 0.456 8 T N 4.747 119.258 114.554 -0.072 0.000 2.879 8 T HA 0.685 5.035 4.350 -0.000 0.000 0.290 8 T C -0.844 173.678 174.700 -0.297 0.000 0.993 8 T CA -0.458 61.533 62.100 -0.183 0.000 0.975 8 T CB 0.930 69.613 68.868 -0.310 0.000 0.981 8 T HN 0.885 nan 8.240 nan 0.000 0.439 9 C N 1.527 120.637 119.300 -0.317 0.000 3.260 9 C HA 0.650 5.110 4.460 -0.000 0.000 0.366 9 C C -2.014 172.851 174.990 -0.207 0.000 1.537 9 C CA -1.158 57.680 59.018 -0.301 0.000 1.160 9 C CB 0.282 27.899 27.740 -0.205 0.000 1.760 9 C HN 0.717 nan 8.230 nan 0.000 0.432 10 Y N 1.574 121.889 120.300 0.024 0.000 2.931 10 Y HA 0.521 5.071 4.550 -0.000 0.000 0.330 10 Y C -1.794 174.068 175.900 -0.063 0.000 1.115 10 Y CA -1.998 56.098 58.100 -0.006 0.000 1.283 10 Y CB -0.876 37.564 38.460 -0.034 0.000 1.215 10 Y HN 0.570 nan 8.280 nan 0.000 0.534 15 G N 0.621 109.403 108.800 -0.029 0.000 2.395 15 G HA2 0.092 4.052 3.960 -0.000 0.000 0.214 15 G HA3 0.092 4.052 3.960 -0.000 0.000 0.214 15 G C 2.244 177.089 174.900 -0.092 0.000 1.177 15 G CA 2.625 47.712 45.100 -0.020 0.000 0.794 15 G HN 1.541 nan 8.290 nan 0.000 0.532 16 S N 0.977 116.540 115.700 -0.229 0.000 2.374 16 S HA -0.063 4.407 4.470 -0.000 0.000 0.227 16 S C 2.463 176.921 174.600 -0.237 0.000 1.037 16 S CA 1.835 59.779 58.200 -0.426 0.000 1.024 16 S CB -1.062 61.916 63.200 -0.370 0.000 0.861 16 S HN 0.463 nan 8.310 nan 0.000 0.456 17 G N 1.593 110.315 108.800 -0.130 0.000 2.421 17 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.216 17 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.216 17 G C 1.481 176.306 174.900 -0.125 0.000 1.171 17 G CA 1.100 46.134 45.100 -0.110 0.000 0.775 17 G HN 0.505 nan 8.290 nan 0.000 0.543 18 V N 0.824 120.679 119.914 -0.100 0.000 2.231 18 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 18 V C 3.040 179.051 176.094 -0.139 0.000 1.054 18 V CA 1.897 64.140 62.300 -0.095 0.000 1.015 18 V CB -0.969 30.806 31.823 -0.079 0.000 0.638 18 V HN 0.254 nan 8.190 nan 0.000 0.444 19 V N 1.065 120.883 119.914 -0.161 0.000 2.261 19 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 19 V C 2.727 178.719 176.094 -0.169 0.000 1.047 19 V CA 2.300 64.477 62.300 -0.205 0.000 1.015 19 V CB -1.740 30.073 31.823 -0.016 0.000 0.642 19 V HN 0.604 nan 8.190 nan 0.000 0.446 20 G N -0.097 108.488 108.800 -0.358 0.000 2.491 20 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.218 20 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.218 20 G C 1.686 176.543 174.900 -0.073 0.000 1.180 20 G CA 1.835 46.598 45.100 -0.561 0.000 0.774 20 G HN 0.485 nan 8.290 nan 0.000 0.562 21 T N 0.532 115.070 114.554 -0.027 0.000 2.708 21 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 21 T C 2.217 177.003 174.700 0.143 0.000 1.037 21 T CA 1.633 63.767 62.100 0.057 0.000 1.146 21 T CB -0.165 68.641 68.868 -0.105 0.000 0.865 21 T HN 0.355 nan 8.240 nan 0.000 0.435 22 E N 1.018 121.266 120.200 0.080 0.000 2.072 22 E HA -0.066 4.283 4.350 -0.000 0.000 0.191 22 E C 1.980 178.778 176.600 0.330 0.000 0.985 22 E CA 0.540 57.040 56.400 0.167 0.000 0.801 22 E CB -0.581 29.159 29.700 0.066 0.000 0.750 22 E HN 0.323 nan 8.360 nan 0.000 0.452 23 L N -0.123 121.330 121.223 0.383 0.000 2.079 23 L HA -0.019 4.321 4.340 -0.000 0.000 0.210 23 L C 2.082 179.069 176.870 0.196 0.000 1.081 23 L CA 2.499 57.579 54.840 0.400 0.000 0.752 23 L CB -1.056 41.166 42.059 0.272 0.000 0.896 23 L HN 0.212 nan 8.230 nan 0.000 0.433 24 G N -0.908 107.991 108.800 0.166 0.000 2.403 24 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.216 24 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.216 24 G C 1.696 176.630 174.900 0.057 0.000 1.154 24 G CA 0.711 45.841 45.100 0.050 0.000 0.784 24 G HN 0.465 nan 8.290 nan 0.000 0.538 25 K N -0.129 120.333 120.400 0.102 0.000 2.026 25 K HA -0.124 4.196 4.320 -0.000 0.000 0.208 25 K C 2.640 179.219 176.600 -0.036 0.000 1.048 25 K CA 1.314 57.556 56.287 -0.075 0.000 0.929 25 K CB -0.137 32.350 32.500 -0.022 0.000 0.713 25 K HN 0.183 nan 8.250 nan 0.000 0.439 26 Q N 0.742 120.597 119.800 0.091 0.000 2.002 26 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 26 Q C 2.358 178.419 176.000 0.102 0.000 0.988 26 Q CA 1.538 57.404 55.803 0.106 0.000 0.843 26 Q CB -0.459 28.346 28.738 0.112 0.000 0.908 26 Q HN 0.393 nan 8.270 nan 0.000 0.420 27 L N 0.392 121.688 121.223 0.122 0.000 2.129 27 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 27 L C 2.475 179.461 176.870 0.194 0.000 1.087 27 L CA 1.112 56.073 54.840 0.202 0.000 0.757 27 L CB -0.594 41.557 42.059 0.153 0.000 0.896 27 L HN 0.185 nan 8.230 nan 0.000 0.434 28 A N -0.050 122.813 122.820 0.071 0.000 1.855 28 A HA -0.206 4.114 4.320 -0.000 0.000 0.215 28 A C 2.103 179.735 177.584 0.081 0.000 1.191 28 A CA 1.505 53.565 52.037 0.039 0.000 0.613 28 A CB -0.452 18.484 19.000 -0.108 0.000 0.829 28 A HN 0.458 nan 8.150 nan 0.000 0.442 29 E N -0.272 119.980 120.200 0.087 0.000 2.267 29 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 29 E C 1.552 178.206 176.600 0.089 0.000 0.998 29 E CA 0.805 57.287 56.400 0.137 0.000 0.830 29 E CB -0.172 29.621 29.700 0.155 0.000 0.751 29 E HN 0.507 nan 8.360 nan 0.000 0.491 30 R N -0.378 120.164 120.500 0.070 0.000 2.335 30 R HA 0.088 4.428 4.340 -0.000 0.000 0.223 30 R C 1.012 177.241 176.300 -0.119 0.000 0.940 30 R CA 0.487 56.592 56.100 0.008 0.000 1.086 30 R CB 0.556 30.889 30.300 0.055 0.000 1.073 30 R HN 0.255 nan 8.270 nan 0.000 0.504 31 G N 0.578 109.344 108.800 -0.055 0.000 2.195 31 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.246 31 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.246 31 G C 0.093 174.948 174.900 -0.076 0.000 0.984 31 G CA -0.263 44.793 45.100 -0.073 0.000 0.633 31 G HN 0.379 nan 8.290 nan 0.000 0.525 32 H N 0.734 119.845 119.070 0.069 0.000 2.607 32 H HA 0.440 4.996 4.556 -0.000 0.000 0.367 32 H C 0.373 175.726 175.328 0.042 0.000 1.181 32 H CA 0.447 56.525 56.048 0.050 0.000 1.402 32 H CB 1.072 30.852 29.762 0.031 0.000 1.474 32 H HN 0.477 nan 8.280 nan 0.000 0.596 33 E N 2.194 122.508 120.200 0.190 0.000 2.055 33 E HA 0.241 4.591 4.350 -0.000 0.000 0.274 33 E C -0.869 175.790 176.600 0.098 0.000 0.949 33 E CA -0.740 55.752 56.400 0.153 0.000 0.775 33 E CB 0.128 29.945 29.700 0.194 0.000 1.097 33 E HN 0.261 nan 8.360 nan 0.000 0.404 34 I N 4.112 124.669 120.570 -0.023 0.000 2.396 34 I HA 0.152 4.322 4.170 -0.000 0.000 0.292 34 I C -0.093 175.849 176.117 -0.292 0.000 0.999 34 I CA -0.325 60.861 61.300 -0.191 0.000 1.310 34 I CB 1.132 38.929 38.000 -0.338 0.000 1.404 34 I HN 0.526 nan 8.210 nan 0.000 0.496 35 H N 6.709 125.628 119.070 -0.251 0.000 2.866 35 H HA 0.278 4.834 4.556 -0.000 0.000 0.287 35 H C -1.013 174.191 175.328 -0.207 0.000 1.106 35 H CA -0.527 55.468 56.048 -0.088 0.000 1.396 35 H CB 0.676 30.407 29.762 -0.052 0.000 1.469 35 H HN 0.294 nan 8.280 nan 0.000 0.500 36 F N 3.216 123.110 119.950 -0.093 0.000 2.506 36 F HA 0.141 4.668 4.527 -0.000 0.000 0.371 36 F C 0.938 176.782 175.800 0.074 0.000 1.078 36 F CA -0.006 57.929 58.000 -0.108 0.000 1.195 36 F CB 0.416 39.221 39.000 -0.324 0.000 1.099 36 F HN 0.362 nan 8.300 nan 0.000 0.548 37 I N 3.809 124.499 120.570 0.200 0.000 2.428 37 I HA 0.294 4.464 4.170 -0.000 0.000 0.279 37 I C -0.151 176.046 176.117 0.133 0.000 1.040 37 I CA -0.135 61.258 61.300 0.155 0.000 1.171 37 I CB 1.110 39.120 38.000 0.015 0.000 1.312 37 I HN 0.523 nan 8.210 nan 0.000 0.470 38 T N 2.955 117.629 114.554 0.200 0.000 3.159 38 T HA 0.222 4.572 4.350 -0.000 0.000 0.343 38 T C -0.612 174.222 174.700 0.225 0.000 1.364 38 T CA -0.640 61.573 62.100 0.188 0.000 1.102 38 T CB 1.287 70.242 68.868 0.146 0.000 1.263 38 T HN 0.423 nan 8.240 nan 0.000 0.477 39 S N 2.909 118.773 115.700 0.273 0.000 2.411 39 S HA 0.723 5.193 4.470 -0.000 0.000 0.304 39 S C 0.815 175.505 174.600 0.150 0.000 1.098 39 S CA 0.227 58.564 58.200 0.228 0.000 1.068 39 S CB 0.294 63.675 63.200 0.303 0.000 1.032 39 S HN 1.465 nan 8.310 nan 0.000 0.511 40 G N 1.873 110.735 108.800 0.103 0.000 2.512 40 G HA2 0.365 4.325 3.960 -0.000 0.000 0.181 40 G HA3 0.365 4.325 3.960 -0.000 0.000 0.181 40 G C -1.755 173.150 174.900 0.007 0.000 1.173 40 G CA -0.896 44.233 45.100 0.047 0.000 0.988 40 G HN 0.699 nan 8.290 nan 0.000 0.485 41 L N 2.075 123.281 121.223 -0.028 0.000 2.492 41 L HA 0.342 4.682 4.340 -0.000 0.000 0.259 41 L C -2.303 174.497 176.870 -0.117 0.000 1.229 41 L CA -1.071 53.714 54.840 -0.092 0.000 0.903 41 L CB 1.563 43.565 42.059 -0.096 0.000 1.114 41 L HN 0.307 nan 8.230 nan 0.000 0.494 48 V N 2.333 122.168 119.914 -0.132 0.000 2.612 48 V HA 0.546 4.666 4.120 -0.000 0.000 0.301 48 V C -2.035 173.973 176.094 -0.144 0.000 1.059 48 V CA -0.402 61.880 62.300 -0.030 0.000 0.886 48 V CB 1.226 33.030 31.823 -0.031 0.000 1.007 48 V HN 0.660 nan 8.190 nan 0.000 0.426 49 Y N 6.678 126.989 120.300 0.019 0.000 2.330 49 Y HA 0.513 5.063 4.550 -0.000 0.000 0.336 49 Y C -1.570 174.285 175.900 -0.075 0.000 1.036 49 Y CA -2.038 56.060 58.100 -0.003 0.000 1.125 49 Y CB 1.919 40.395 38.460 0.027 0.000 1.194 49 Y HN 0.486 nan 8.280 nan 0.000 0.469 50 P HA -0.101 nan 4.420 nan 0.000 0.226 50 P C 0.216 177.456 177.300 -0.100 0.000 1.153 50 P CA 1.120 64.195 63.100 -0.041 0.000 0.777 50 P CB 0.286 31.992 31.700 0.011 0.000 0.794 51 N N -0.576 118.118 118.700 -0.010 0.000 2.275 51 N HA 0.100 4.840 4.740 -0.000 0.000 0.236 51 N C -0.314 175.172 175.510 -0.041 0.000 1.154 51 N CA -0.062 53.014 53.050 0.044 0.000 0.866 51 N CB 0.121 38.679 38.487 0.119 0.000 1.093 51 N HN 0.153 nan 8.380 nan 0.000 0.515 52 I N 1.268 121.703 120.570 -0.225 0.000 2.439 52 I HA 0.317 4.487 4.170 -0.000 0.000 0.283 52 I C -1.119 174.739 176.117 -0.431 0.000 1.023 52 I CA -0.816 60.348 61.300 -0.227 0.000 1.100 52 I CB 0.967 38.923 38.000 -0.074 0.000 1.238 52 I HN -0.122 nan 8.210 nan 0.000 0.445 53 Y N 5.212 125.288 120.300 -0.372 0.000 2.420 53 Y HA 0.542 5.092 4.550 -0.000 0.000 0.334 53 Y C -0.518 175.166 175.900 -0.361 0.000 1.094 53 Y CA -0.666 57.265 58.100 -0.281 0.000 1.126 53 Y CB 1.766 40.013 38.460 -0.355 0.000 1.217 53 Y HN 0.301 nan 8.280 nan 0.000 0.462 54 F N 2.358 122.316 119.950 0.013 0.000 2.427 54 F HA 0.377 4.904 4.527 -0.000 0.000 0.348 54 F C -0.083 175.668 175.800 -0.081 0.000 1.125 54 F CA -0.757 57.284 58.000 0.069 0.000 0.989 54 F CB 0.858 39.881 39.000 0.039 0.000 1.165 54 F HN 0.420 nan 8.300 nan 0.000 0.442 55 H N 2.756 121.998 119.070 0.286 0.000 2.457 55 H HA 0.309 4.865 4.556 -0.000 0.000 0.335 55 H C -0.625 174.820 175.328 0.195 0.000 1.115 55 H CA -0.594 55.581 56.048 0.212 0.000 1.219 55 H CB 2.400 32.258 29.762 0.160 0.000 1.471 55 H HN 0.570 nan 8.280 nan 0.000 0.491 56 E N 3.042 123.392 120.200 0.251 0.000 2.238 56 E HA 0.242 4.592 4.350 -0.000 0.000 0.267 56 E C -1.173 175.532 176.600 0.174 0.000 0.887 56 E CA -0.900 55.623 56.400 0.204 0.000 0.769 56 E CB 2.242 32.038 29.700 0.161 0.000 1.187 56 E HN 0.251 nan 8.360 nan 0.000 0.416 57 V N 3.624 123.646 119.914 0.180 0.000 2.427 57 V HA 0.173 4.293 4.120 -0.000 0.000 0.268 57 V C 0.379 176.569 176.094 0.161 0.000 1.046 57 V CA -0.185 62.210 62.300 0.158 0.000 0.970 57 V CB 0.403 32.329 31.823 0.172 0.000 1.001 57 V HN 0.728 nan 8.190 nan 0.000 0.476 58 T N 3.100 117.728 114.554 0.124 0.000 2.795 58 T HA 0.761 5.111 4.350 -0.000 0.000 0.282 58 T C -0.385 174.382 174.700 0.112 0.000 0.980 58 T CA -0.658 61.509 62.100 0.112 0.000 1.012 58 T CB 1.550 70.472 68.868 0.091 0.000 0.936 58 T HN 0.329 nan 8.240 nan 0.000 0.457 59 V N 2.638 122.622 119.914 0.117 0.000 3.103 59 V HA 0.723 4.843 4.120 -0.000 0.000 0.318 59 V C -0.347 175.812 176.094 0.109 0.000 1.114 59 V CA -1.165 61.205 62.300 0.116 0.000 1.020 59 V CB 1.812 33.712 31.823 0.130 0.000 1.085 59 V HN 1.015 nan 8.190 nan 0.000 0.446 66 Q N 1.441 121.385 119.800 0.239 0.000 1.994 66 Q HA -0.018 4.322 4.340 -0.000 0.000 0.198 66 Q C -0.571 175.330 176.000 -0.164 0.000 0.976 66 Q CA 1.603 57.397 55.803 -0.015 0.000 0.828 66 Q CB 0.217 28.940 28.738 -0.026 0.000 0.894 66 Q HN 0.541 nan 8.270 nan 0.000 0.432 67 Y N -0.193 120.089 120.300 -0.031 0.000 2.477 67 Y HA 0.293 4.843 4.550 -0.000 0.000 0.347 67 Y C -2.024 173.760 175.900 -0.192 0.000 0.981 67 Y CA -3.046 55.011 58.100 -0.071 0.000 1.033 67 Y CB 1.456 39.883 38.460 -0.055 0.000 1.245 67 Y HN 0.034 nan 8.280 nan 0.000 0.455 68 P HA 0.125 nan 4.420 nan 0.000 0.265 68 P C -2.580 174.666 177.300 -0.090 0.000 1.222 68 P CA -1.143 61.927 63.100 -0.051 0.000 0.767 68 P CB 0.447 32.181 31.700 0.056 0.000 0.801 69 P HA -0.015 nan 4.420 nan 0.000 0.238 69 P C 0.675 177.970 177.300 -0.009 0.000 1.679 69 P CA -0.011 62.990 63.100 -0.165 0.000 1.080 69 P CB -0.768 30.766 31.700 -0.276 0.000 1.961 70 Y N 2.001 122.274 120.300 -0.046 0.000 2.181 70 Y HA -0.254 4.296 4.550 -0.000 0.000 0.288 70 Y C 1.579 177.497 175.900 0.029 0.000 1.146 70 Y CA 1.778 59.883 58.100 0.008 0.000 1.164 70 Y CB -0.275 38.200 38.460 0.024 0.000 0.982 70 Y HN 0.090 nan 8.280 nan 0.000 0.515 71 D N 0.447 120.800 120.400 -0.078 0.000 2.088 71 D HA -0.197 4.443 4.640 -0.000 0.000 0.191 71 D C 2.187 178.390 176.300 -0.161 0.000 0.992 71 D CA 1.610 55.517 54.000 -0.156 0.000 0.831 71 D CB -0.639 40.158 40.800 -0.005 0.000 0.973 71 D HN 0.308 nan 8.370 nan 0.000 0.447 72 L N 1.232 122.407 121.223 -0.081 0.000 2.043 72 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 72 L C 2.523 179.352 176.870 -0.069 0.000 1.075 72 L CA 1.452 56.262 54.840 -0.051 0.000 0.752 72 L CB -1.215 40.833 42.059 -0.017 0.000 0.891 72 L HN -0.009 nan 8.230 nan 0.000 0.432 73 A N -1.007 121.760 122.820 -0.088 0.000 1.902 73 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 73 A C 2.272 179.784 177.584 -0.120 0.000 1.181 73 A CA 1.842 53.838 52.037 -0.068 0.000 0.623 73 A CB -0.817 18.167 19.000 -0.028 0.000 0.818 73 A HN 0.363 nan 8.150 nan 0.000 0.443 74 L N -0.346 120.718 121.223 -0.266 0.000 2.056 74 L HA 0.001 4.341 4.340 -0.000 0.000 0.207 74 L C 2.621 179.410 176.870 -0.137 0.000 1.078 74 L CA 2.107 56.788 54.840 -0.264 0.000 0.749 74 L CB -0.820 40.934 42.059 -0.509 0.000 0.901 74 L HN 0.328 nan 8.230 nan 0.000 0.433 75 A N -1.428 121.324 122.820 -0.113 0.000 1.877 75 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 75 A C 2.527 180.077 177.584 -0.058 0.000 1.186 75 A CA 1.996 53.995 52.037 -0.062 0.000 0.620 75 A CB -1.244 17.734 19.000 -0.036 0.000 0.822 75 A HN 0.527 nan 8.150 nan 0.000 0.443 76 S N -0.699 114.971 115.700 -0.050 0.000 2.370 76 S HA -0.216 4.254 4.470 -0.000 0.000 0.226 76 S C 2.143 176.718 174.600 -0.041 0.000 1.033 76 S CA 2.151 60.330 58.200 -0.036 0.000 1.011 76 S CB -0.275 62.916 63.200 -0.016 0.000 0.852 76 S HN 0.513 nan 8.310 nan 0.000 0.457 77 K N 0.786 121.162 120.400 -0.041 0.000 2.097 77 K HA 0.131 4.451 4.320 -0.000 0.000 0.205 77 K C 2.103 178.657 176.600 -0.076 0.000 1.050 77 K CA 1.379 57.644 56.287 -0.036 0.000 0.938 77 K CB -0.381 32.116 32.500 -0.005 0.000 0.718 77 K HN 0.400 nan 8.250 nan 0.000 0.442 78 M N -0.334 119.217 119.600 -0.082 0.000 2.065 78 M HA -0.191 4.289 4.480 -0.000 0.000 0.259 78 M C 2.169 178.399 176.300 -0.117 0.000 1.069 78 M CA 1.998 57.235 55.300 -0.105 0.000 1.110 78 M CB -0.413 32.137 32.600 -0.084 0.000 1.328 78 M HN 0.284 nan 8.290 nan 0.000 0.405 79 A N -0.243 122.521 122.820 -0.094 0.000 1.883 79 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 79 A C 2.021 179.545 177.584 -0.099 0.000 1.186 79 A CA 2.134 54.114 52.037 -0.093 0.000 0.624 79 A CB -0.940 18.015 19.000 -0.074 0.000 0.822 79 A HN 0.603 nan 8.150 nan 0.000 0.444 80 E N -0.157 119.991 120.200 -0.086 0.000 2.031 80 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 80 E C 2.002 178.526 176.600 -0.126 0.000 0.994 80 E CA 1.751 58.102 56.400 -0.081 0.000 0.800 80 E CB -0.173 29.499 29.700 -0.048 0.000 0.752 80 E HN 0.329 nan 8.360 nan 0.000 0.447 81 V N 1.633 121.438 119.914 -0.182 0.000 2.332 81 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 81 V C 2.557 178.469 176.094 -0.303 0.000 1.055 81 V CA 1.774 63.887 62.300 -0.312 0.000 1.038 81 V CB -1.009 30.507 31.823 -0.512 0.000 0.651 81 V HN 0.417 nan 8.190 nan 0.000 0.450 82 A N 0.981 123.658 122.820 -0.239 0.000 1.859 82 A HA -0.333 3.987 4.320 -0.000 0.000 0.217 82 A C 2.274 179.746 177.584 -0.186 0.000 1.198 82 A CA 2.408 54.316 52.037 -0.215 0.000 0.629 82 A CB -0.659 18.242 19.000 -0.164 0.000 0.830 82 A HN 0.757 nan 8.150 nan 0.000 0.446 83 Q N -1.376 118.338 119.800 -0.144 0.000 2.378 83 Q HA -0.006 4.334 4.340 -0.000 0.000 0.205 83 Q C 2.089 178.020 176.000 -0.115 0.000 0.954 83 Q CA 1.004 56.737 55.803 -0.117 0.000 0.901 83 Q CB -0.180 28.505 28.738 -0.089 0.000 0.981 83 Q HN 0.656 nan 8.270 nan 0.000 0.483 84 R N 0.584 121.006 120.500 -0.130 0.000 2.062 84 R HA -0.045 4.295 4.340 -0.000 0.000 0.226 84 R C 1.413 177.628 176.300 -0.141 0.000 1.125 84 R CA 1.310 57.343 56.100 -0.112 0.000 0.966 84 R CB 0.306 30.549 30.300 -0.095 0.000 0.861 84 R HN 0.247 nan 8.270 nan 0.000 0.433 85 E N 0.379 120.444 120.200 -0.225 0.000 2.489 85 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 85 E C -0.198 176.260 176.600 -0.238 0.000 1.057 85 E CA -0.048 56.181 56.400 -0.286 0.000 0.866 85 E CB 0.051 29.399 29.700 -0.586 0.000 0.916 85 E HN 0.265 nan 8.360 nan 0.000 0.500 86 N N 1.209 119.794 118.700 -0.192 0.000 2.708 86 N HA -0.179 4.561 4.740 -0.000 0.000 0.255 86 N C -0.570 174.841 175.510 -0.164 0.000 1.046 86 N CA 0.347 53.308 53.050 -0.148 0.000 0.715 86 N CB -1.218 37.207 38.487 -0.103 0.000 0.895 86 N HN 0.214 nan 8.380 nan 0.000 0.545 87 L N 0.278 121.376 121.223 -0.208 0.000 2.452 87 L HA 0.090 4.430 4.340 -0.000 0.000 0.267 87 L C 1.670 178.442 176.870 -0.164 0.000 1.188 87 L CA -0.167 54.547 54.840 -0.210 0.000 0.821 87 L CB 0.404 42.313 42.059 -0.249 0.000 1.102 87 L HN 0.136 nan 8.230 nan 0.000 0.470 88 D N 1.249 121.547 120.400 -0.169 0.000 2.414 88 D HA 0.197 4.837 4.640 -0.000 0.000 0.237 88 D C 0.227 176.415 176.300 -0.187 0.000 0.975 88 D CA 1.092 54.999 54.000 -0.155 0.000 0.917 88 D CB 0.578 41.287 40.800 -0.152 0.000 1.061 88 D HN 0.192 nan 8.370 nan 0.000 0.480 89 I N 0.631 121.043 120.570 -0.265 0.000 2.603 89 I HA 0.252 4.422 4.170 -0.000 0.000 0.300 89 I C -0.977 174.977 176.117 -0.272 0.000 1.017 89 I CA -0.809 60.307 61.300 -0.307 0.000 1.098 89 I CB 2.603 40.274 38.000 -0.548 0.000 1.279 89 I HN -0.202 nan 8.210 nan 0.000 0.437 90 L N 5.589 126.693 121.223 -0.199 0.000 2.377 90 L HA 0.410 4.750 4.340 -0.000 0.000 0.270 90 L C -1.041 175.795 176.870 -0.056 0.000 0.991 90 L CA -0.105 54.654 54.840 -0.135 0.000 0.851 90 L CB 0.556 42.551 42.059 -0.106 0.000 1.218 90 L HN 0.599 nan 8.230 nan 0.000 0.420 91 H N 4.072 123.037 119.070 -0.175 0.000 2.556 91 H HA 0.629 5.185 4.556 -0.000 0.000 0.310 91 H C -1.212 174.097 175.328 -0.032 0.000 1.057 91 H CA -0.737 55.248 56.048 -0.104 0.000 1.264 91 H CB 1.338 31.045 29.762 -0.092 0.000 1.404 91 H HN 0.462 nan 8.280 nan 0.000 0.462 92 V N 5.440 125.464 119.914 0.184 0.000 2.769 92 V HA 0.100 4.220 4.120 -0.000 0.000 0.312 92 V C 0.335 176.445 176.094 0.025 0.000 1.058 92 V CA -0.362 61.985 62.300 0.078 0.000 0.952 92 V CB 1.892 33.771 31.823 0.092 0.000 1.019 92 V HN 0.928 nan 8.190 nan 0.000 0.445 93 H N 1.902 120.991 119.070 0.031 0.000 2.855 93 H HA 0.176 4.732 4.556 -0.000 0.000 0.259 93 H C -0.462 175.076 175.328 0.350 0.000 0.972 93 H CA 0.274 56.421 56.048 0.166 0.000 1.213 93 H CB 1.276 31.081 29.762 0.072 0.000 1.451 93 H HN 0.574 nan 8.280 nan 0.000 0.484 94 Y N 0.365 120.915 120.300 0.416 0.000 2.596 94 Y HA 0.483 5.033 4.550 -0.000 0.000 0.326 94 Y C 1.133 177.131 175.900 0.163 0.000 1.167 94 Y CA -0.096 58.151 58.100 0.246 0.000 1.246 94 Y CB 1.215 39.772 38.460 0.161 0.000 1.347 94 Y HN -0.054 nan 8.280 nan 0.000 0.515 95 A N 1.605 124.350 122.820 -0.126 0.000 1.871 95 A HA 0.175 4.495 4.320 -0.000 0.000 0.211 95 A C 0.179 177.772 177.584 0.016 0.000 1.207 95 A CA 0.832 52.839 52.037 -0.050 0.000 0.620 95 A CB -0.289 18.626 19.000 -0.141 0.000 0.860 95 A HN 0.444 nan 8.150 nan 0.000 0.450 96 I N 0.076 120.671 120.570 0.042 0.000 2.385 96 I HA 0.278 4.448 4.170 -0.000 0.000 0.294 96 I C -1.944 174.183 176.117 0.016 0.000 0.988 96 I CA -2.166 59.171 61.300 0.061 0.000 1.265 96 I CB 0.969 39.023 38.000 0.090 0.000 1.388 96 I HN 0.050 nan 8.210 nan 0.000 0.480 97 P HA 0.006 nan 4.420 nan 0.000 0.230 97 P C 1.212 178.527 177.300 0.026 0.000 1.168 97 P CA 0.784 63.872 63.100 -0.020 0.000 0.793 97 P CB 0.074 31.800 31.700 0.044 0.000 0.851 98 H N 1.043 120.165 119.070 0.088 0.000 2.375 98 H HA -0.219 4.337 4.556 -0.000 0.000 0.289 98 H C 1.912 177.268 175.328 0.047 0.000 1.121 98 H CA 1.800 57.874 56.048 0.043 0.000 1.207 98 H CB -1.471 28.309 29.762 0.031 0.000 1.355 98 H HN 0.137 nan 8.280 nan 0.000 0.486 99 A N 0.645 123.566 122.820 0.168 0.000 1.858 99 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 99 A C 2.719 180.374 177.584 0.118 0.000 1.190 99 A CA 1.754 53.852 52.037 0.102 0.000 0.617 99 A CB -0.791 18.238 19.000 0.048 0.000 0.827 99 A HN 0.262 nan 8.150 nan 0.000 0.443 100 I N -0.434 120.213 120.570 0.129 0.000 2.315 100 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 100 I C 2.489 178.727 176.117 0.201 0.000 1.117 100 I CA 1.039 62.453 61.300 0.191 0.000 1.404 100 I CB -0.390 37.709 38.000 0.165 0.000 1.071 100 I HN 0.401 nan 8.210 nan 0.000 0.419 101 C N 0.248 119.628 119.300 0.133 0.000 2.429 101 C HA -0.148 4.312 4.460 -0.000 0.000 0.277 101 C C 3.106 178.139 174.990 0.071 0.000 1.262 101 C CA 0.897 59.965 59.018 0.084 0.000 1.733 101 C CB -1.412 26.360 27.740 0.054 0.000 2.010 101 C HN 0.595 nan 8.230 nan 0.000 0.483 102 A N -0.943 121.928 122.820 0.086 0.000 1.969 102 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 102 A C 1.935 179.560 177.584 0.069 0.000 1.169 102 A CA 1.573 53.639 52.037 0.048 0.000 0.635 102 A CB -0.829 18.198 19.000 0.046 0.000 0.810 102 A HN 0.688 nan 8.150 nan 0.000 0.445 103 Y N 0.440 120.748 120.300 0.014 0.000 2.114 103 Y HA -0.160 4.390 4.550 -0.000 0.000 0.284 103 Y C 1.947 177.869 175.900 0.037 0.000 1.143 103 Y CA 1.766 59.880 58.100 0.023 0.000 1.135 103 Y CB -0.451 38.052 38.460 0.072 0.000 0.980 103 Y HN 0.203 nan 8.280 nan 0.000 0.499 104 L N -0.115 121.085 121.223 -0.039 0.000 2.013 104 L HA -0.308 4.032 4.340 -0.000 0.000 0.212 104 L C 2.804 179.581 176.870 -0.154 0.000 1.073 104 L CA 1.446 56.209 54.840 -0.128 0.000 0.753 104 L CB -1.114 40.952 42.059 0.011 0.000 0.890 104 L HN 0.419 nan 8.230 nan 0.000 0.432 105 A N -0.240 122.524 122.820 -0.094 0.000 1.892 105 A HA -0.303 4.017 4.320 -0.000 0.000 0.218 105 A C 2.393 179.902 177.584 -0.125 0.000 1.188 105 A CA 2.232 54.212 52.037 -0.095 0.000 0.631 105 A CB -0.578 18.377 19.000 -0.075 0.000 0.822 105 A HN 0.337 nan 8.150 nan 0.000 0.447 106 K N -1.113 119.199 120.400 -0.147 0.000 2.009 106 K HA -0.217 4.103 4.320 -0.000 0.000 0.210 106 K C 2.283 178.772 176.600 -0.185 0.000 1.049 106 K CA 1.701 57.897 56.287 -0.152 0.000 0.929 106 K CB -0.213 32.203 32.500 -0.141 0.000 0.714 106 K HN 0.451 nan 8.250 nan 0.000 0.440 107 Q N 0.088 119.708 119.800 -0.299 0.000 2.135 107 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 107 Q C 2.065 177.971 176.000 -0.157 0.000 0.981 107 Q CA 1.547 57.191 55.803 -0.265 0.000 0.856 107 Q CB -0.251 28.252 28.738 -0.392 0.000 0.902 107 Q HN 0.454 nan 8.270 nan 0.000 0.425 108 M N 0.192 119.707 119.600 -0.141 0.000 2.229 108 M HA -0.063 4.417 4.480 -0.000 0.000 0.264 108 M C 1.683 177.935 176.300 -0.080 0.000 1.063 108 M CA 1.007 56.251 55.300 -0.093 0.000 1.114 108 M CB -0.073 32.480 32.600 -0.079 0.000 1.387 108 M HN 0.178 nan 8.290 nan 0.000 0.420 109 I N -3.129 117.387 120.570 -0.089 0.000 3.874 109 I HA 0.440 4.610 4.170 -0.000 0.000 0.331 109 I C 0.761 176.835 176.117 -0.071 0.000 1.489 109 I CA -0.049 61.205 61.300 -0.077 0.000 1.187 109 I CB -0.775 37.175 38.000 -0.084 0.000 1.150 109 I HN 0.373 nan 8.210 nan 0.000 0.412 110 G N 1.776 110.534 108.800 -0.070 0.000 2.179 110 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.257 110 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.257 110 G C 0.250 175.115 174.900 -0.059 0.000 1.010 110 G CA 0.483 45.548 45.100 -0.058 0.000 0.736 110 G HN 0.756 nan 8.290 nan 0.000 0.513 111 E N -2.292 117.864 120.200 -0.074 0.000 2.971 111 E HA -0.256 4.094 4.350 -0.000 0.000 0.278 111 E C 1.019 177.584 176.600 -0.058 0.000 1.009 111 E CA 0.973 57.333 56.400 -0.067 0.000 0.862 111 E CB -0.817 28.854 29.700 -0.049 0.000 1.436 111 E HN 0.792 nan 8.360 nan 0.000 0.434 112 R N 0.751 121.214 120.500 -0.063 0.000 4.263 112 R HA 0.311 4.651 4.340 -0.000 0.000 0.248 112 R C 0.189 176.446 176.300 -0.072 0.000 1.796 112 R CA 0.184 56.248 56.100 -0.060 0.000 1.518 112 R CB 0.200 30.465 30.300 -0.058 0.000 1.342 112 R HN 0.068 nan 8.270 nan 0.000 0.706 113 I N 0.427 120.953 120.570 -0.073 0.000 2.882 113 I HA 0.216 4.386 4.170 -0.000 0.000 0.298 113 I C -1.489 174.582 176.117 -0.077 0.000 1.462 113 I CA -0.833 60.415 61.300 -0.087 0.000 1.000 113 I CB 2.550 40.489 38.000 -0.101 0.000 1.340 113 I HN 0.019 nan 8.210 nan 0.000 0.462 114 K N 6.365 126.711 120.400 -0.089 0.000 2.235 114 K HA 0.584 4.904 4.320 -0.000 0.000 0.266 114 K C -0.759 175.790 176.600 -0.085 0.000 0.980 114 K CA -0.520 55.721 56.287 -0.078 0.000 0.849 114 K CB 1.738 34.192 32.500 -0.076 0.000 1.098 114 K HN 0.452 nan 8.250 nan 0.000 0.445 115 I N 2.678 123.212 120.570 -0.060 0.000 2.331 115 I HA 0.211 4.381 4.170 -0.000 0.000 0.292 115 I C -0.197 175.889 176.117 -0.053 0.000 0.998 115 I CA -0.990 60.280 61.300 -0.049 0.000 1.267 115 I CB 1.419 39.408 38.000 -0.019 0.000 1.386 115 I HN 0.017 nan 8.210 nan 0.000 0.476 116 V N 5.303 125.182 119.914 -0.059 0.000 2.378 116 V HA 0.349 4.469 4.120 -0.000 0.000 0.288 116 V C -0.045 176.047 176.094 -0.005 0.000 1.016 116 V CA -0.424 61.819 62.300 -0.095 0.000 0.840 116 V CB 1.699 33.369 31.823 -0.255 0.000 0.994 116 V HN 0.723 nan 8.190 nan 0.000 0.431 117 T N 3.343 117.890 114.554 -0.011 0.000 2.771 117 T HA 0.438 4.788 4.350 -0.000 0.000 0.281 117 T C 0.054 174.754 174.700 0.000 0.000 0.982 117 T CA -0.282 61.830 62.100 0.020 0.000 0.978 117 T CB 1.323 70.182 68.868 -0.014 0.000 0.930 117 T HN 0.621 nan 8.240 nan 0.000 0.447 118 T N 4.474 119.017 114.554 -0.019 0.000 2.771 118 T HA 0.535 4.885 4.350 -0.000 0.000 0.281 118 T C 0.186 174.845 174.700 -0.068 0.000 0.982 118 T CA -0.576 61.484 62.100 -0.067 0.000 0.978 118 T CB 0.441 69.217 68.868 -0.153 0.000 0.930 118 T HN 0.319 nan 8.240 nan 0.000 0.447 119 L N 3.480 124.612 121.223 -0.152 0.000 2.431 119 L HA 0.636 4.976 4.340 -0.000 0.000 0.260 119 L C 0.614 177.342 176.870 -0.238 0.000 1.098 119 L CA -0.925 53.831 54.840 -0.140 0.000 0.800 119 L CB 0.798 42.760 42.059 -0.161 0.000 1.210 119 L HN 0.621 nan 8.230 nan 0.000 0.465 120 H N -0.801 118.219 119.070 -0.083 0.000 3.110 120 H HA 0.141 4.697 4.556 -0.000 0.000 0.277 120 H C 0.577 175.913 175.328 0.014 0.000 1.571 120 H CA -0.028 56.032 56.048 0.019 0.000 1.206 120 H CB 1.181 31.041 29.762 0.162 0.000 1.852 120 H HN 0.634 nan 8.280 nan 0.000 0.629 121 G N -0.274 108.694 108.800 0.281 0.000 2.511 121 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 121 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 121 G C 1.328 176.309 174.900 0.134 0.000 1.218 121 G CA 2.195 47.404 45.100 0.180 0.000 0.788 121 G HN 0.600 nan 8.290 nan 0.000 0.560 122 T N 0.925 115.613 114.554 0.224 0.000 2.896 122 T HA -0.064 4.286 4.350 -0.000 0.000 0.263 122 T C 1.972 176.779 174.700 0.177 0.000 1.050 122 T CA 1.531 63.767 62.100 0.226 0.000 1.140 122 T CB -0.377 68.671 68.868 0.299 0.000 0.877 122 T HN 0.465 nan 8.240 nan 0.000 0.457 123 D N 1.654 122.052 120.400 -0.005 0.000 2.158 123 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 123 D C 1.703 177.911 176.300 -0.152 0.000 0.995 123 D CA 0.979 54.759 54.000 -0.366 0.000 0.846 123 D CB -0.431 39.594 40.800 -1.291 0.000 0.941 123 D HN 0.401 nan 8.370 nan 0.000 0.456 124 I N 0.168 120.670 120.570 -0.114 0.000 2.899 124 I HA -0.074 4.096 4.170 -0.000 0.000 0.257 124 I C 2.405 178.514 176.117 -0.014 0.000 1.115 124 I CA 0.743 62.003 61.300 -0.067 0.000 1.451 124 I CB -0.602 37.350 38.000 -0.080 0.000 1.251 124 I HN -0.085 nan 8.210 nan 0.000 0.456 125 T N 0.159 114.720 114.554 0.011 0.000 2.544 125 T HA -0.255 4.095 4.350 -0.000 0.000 0.264 125 T C 1.886 176.610 174.700 0.040 0.000 1.096 125 T CA 2.447 64.568 62.100 0.035 0.000 1.181 125 T CB -0.576 68.327 68.868 0.059 0.000 0.864 125 T HN 0.227 nan 8.240 nan 0.000 0.415 126 V N 0.187 120.136 119.914 0.058 0.000 2.575 126 V HA 0.175 4.295 4.120 -0.000 0.000 0.242 126 V C 2.237 178.362 176.094 0.052 0.000 1.045 126 V CA 0.859 63.193 62.300 0.057 0.000 1.065 126 V CB -0.431 31.434 31.823 0.070 0.000 0.717 126 V HN 0.476 nan 8.190 nan 0.000 0.467 127 L N 0.869 122.130 121.223 0.064 0.000 1.994 127 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 127 L C 2.713 179.599 176.870 0.028 0.000 1.071 127 L CA 1.884 56.757 54.840 0.055 0.000 0.745 127 L CB -1.286 40.818 42.059 0.075 0.000 0.892 127 L HN 0.490 nan 8.230 nan 0.000 0.431 128 G N -0.519 108.288 108.800 0.011 0.000 2.499 128 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.221 128 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.221 128 G C 1.780 176.686 174.900 0.009 0.000 1.109 128 G CA 1.169 46.269 45.100 0.000 0.000 0.749 128 G HN 0.521 nan 8.290 nan 0.000 0.568 129 S N 0.013 115.723 115.700 0.017 0.000 2.387 129 S HA -0.081 4.389 4.470 -0.000 0.000 0.226 129 S C 1.044 175.654 174.600 0.018 0.000 1.026 129 S CA 0.779 58.990 58.200 0.018 0.000 0.972 129 S CB -0.166 63.048 63.200 0.023 0.000 0.814 129 S HN 0.236 nan 8.310 nan 0.000 0.477 130 D N 3.735 124.147 120.400 0.020 0.000 2.363 130 D HA 0.178 4.818 4.640 -0.000 0.000 0.263 130 D C -1.126 175.183 176.300 0.016 0.000 1.258 130 D CA -2.090 51.921 54.000 0.019 0.000 0.907 130 D CB 1.472 42.285 40.800 0.021 0.000 1.107 130 D HN 0.173 nan 8.370 nan 0.000 0.495 131 P HA -0.175 nan 4.420 nan 0.000 0.219 131 P C 1.108 178.414 177.300 0.011 0.000 1.146 131 P CA 0.808 63.915 63.100 0.012 0.000 0.808 131 P CB 0.111 31.817 31.700 0.011 0.000 0.779 132 S N -1.031 114.676 115.700 0.012 0.000 2.555 132 S HA 0.010 4.480 4.470 -0.000 0.000 0.230 132 S C 1.510 176.117 174.600 0.011 0.000 0.978 132 S CA 0.426 58.632 58.200 0.011 0.000 0.934 132 S CB -0.928 62.279 63.200 0.013 0.000 0.766 132 S HN 0.166 nan 8.310 nan 0.000 0.533 133 L N -0.245 120.987 121.223 0.014 0.000 3.360 133 L HA 0.372 4.712 4.340 -0.000 0.000 0.303 133 L C 1.664 178.544 176.870 0.016 0.000 1.218 133 L CA -0.094 54.757 54.840 0.017 0.000 1.059 133 L CB -0.300 41.772 42.059 0.022 0.000 1.468 133 L HN 0.169 nan 8.230 nan 0.000 0.614 134 N N 2.172 120.879 118.700 0.013 0.000 2.006 134 N HA -0.221 4.519 4.740 -0.000 0.000 0.196 134 N C 1.767 177.286 175.510 0.016 0.000 1.057 134 N CA 2.394 55.451 53.050 0.011 0.000 0.853 134 N CB -0.000 38.493 38.487 0.010 0.000 1.051 134 N HN 0.412 nan 8.380 nan 0.000 0.423 135 N N 0.599 119.310 118.700 0.018 0.000 2.258 135 N HA -0.186 4.554 4.740 -0.000 0.000 0.187 135 N C 1.652 177.194 175.510 0.054 0.000 1.012 135 N CA 0.953 54.020 53.050 0.028 0.000 0.870 135 N CB -0.751 37.741 38.487 0.009 0.000 0.977 135 N HN 0.324 nan 8.380 nan 0.000 0.434 136 L N 0.751 121.997 121.223 0.039 0.000 2.072 136 L HA 0.165 4.505 4.340 -0.000 0.000 0.205 136 L C 2.310 179.227 176.870 0.079 0.000 1.079 136 L CA 1.032 55.908 54.840 0.062 0.000 0.752 136 L CB -0.540 41.540 42.059 0.035 0.000 0.906 136 L HN 0.117 nan 8.230 nan 0.000 0.436 137 I N -1.001 119.591 120.570 0.037 0.000 2.252 137 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 137 I C 2.687 178.799 176.117 -0.008 0.000 1.102 137 I CA 1.111 62.415 61.300 0.006 0.000 1.385 137 I CB -0.391 37.598 38.000 -0.018 0.000 1.064 137 I HN 0.290 nan 8.210 nan 0.000 0.414 138 R N 1.046 121.550 120.500 0.008 0.000 2.082 138 R HA -0.247 4.093 4.340 -0.000 0.000 0.234 138 R C 2.511 178.799 176.300 -0.021 0.000 1.136 138 R CA 2.052 58.147 56.100 -0.008 0.000 0.935 138 R CB -0.583 29.727 30.300 0.017 0.000 0.842 138 R HN 0.227 nan 8.270 nan 0.000 0.430 139 F N 0.873 120.767 119.950 -0.093 0.000 2.091 139 F HA -0.165 4.362 4.527 -0.000 0.000 0.299 139 F C 2.062 177.759 175.800 -0.171 0.000 1.103 139 F CA 2.112 60.027 58.000 -0.142 0.000 1.228 139 F CB -0.690 38.214 39.000 -0.160 0.000 0.984 139 F HN 0.201 nan 8.300 nan 0.000 0.477 140 G N 0.498 109.219 108.800 -0.132 0.000 2.418 140 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 140 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 140 G C 1.741 176.521 174.900 -0.200 0.000 1.158 140 G CA 1.251 46.251 45.100 -0.167 0.000 0.771 140 G HN 0.481 nan 8.290 nan 0.000 0.545 141 I N 0.543 121.018 120.570 -0.159 0.000 2.163 141 I HA -0.129 4.041 4.170 -0.000 0.000 0.240 141 I C 2.776 178.786 176.117 -0.178 0.000 1.081 141 I CA 1.288 62.502 61.300 -0.145 0.000 1.353 141 I CB -0.309 37.614 38.000 -0.129 0.000 1.054 141 I HN 0.254 nan 8.210 nan 0.000 0.407 142 E N 0.340 120.410 120.200 -0.215 0.000 2.160 142 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 142 E C 2.001 178.436 176.600 -0.276 0.000 0.991 142 E CA 0.849 57.120 56.400 -0.216 0.000 0.810 142 E CB -0.082 29.496 29.700 -0.204 0.000 0.742 142 E HN 0.473 nan 8.360 nan 0.000 0.466 143 Q N 0.365 119.906 119.800 -0.432 0.000 2.389 143 Q HA 0.089 4.429 4.340 -0.000 0.000 0.204 143 Q C 0.630 176.531 176.000 -0.164 0.000 0.944 143 Q CA 0.284 55.849 55.803 -0.396 0.000 0.908 143 Q CB 0.364 28.652 28.738 -0.751 0.000 1.002 143 Q HN 0.060 nan 8.270 nan 0.000 0.493 144 S N 1.599 117.214 115.700 -0.142 0.000 2.585 144 S HA 0.064 4.534 4.470 -0.000 0.000 0.273 144 S C 0.733 175.293 174.600 -0.066 0.000 1.339 144 S CA -0.448 57.709 58.200 -0.073 0.000 1.028 144 S CB 0.880 64.038 63.200 -0.069 0.000 0.906 144 S HN 0.167 nan 8.310 nan 0.000 0.528 145 D N 0.306 120.676 120.400 -0.049 0.000 2.162 145 D HA 0.041 4.681 4.640 -0.000 0.000 0.203 145 D C 0.272 176.542 176.300 -0.050 0.000 0.967 145 D CA 1.126 55.099 54.000 -0.045 0.000 0.840 145 D CB 0.187 40.964 40.800 -0.039 0.000 0.972 145 D HN 0.224 nan 8.370 nan 0.000 0.482 146 V N 0.815 120.695 119.914 -0.056 0.000 2.841 146 V HA 0.412 4.531 4.120 -0.000 0.000 0.310 146 V C -0.282 175.769 176.094 -0.071 0.000 1.090 146 V CA -0.831 61.431 62.300 -0.063 0.000 0.930 146 V CB 3.013 34.799 31.823 -0.062 0.000 1.014 146 V HN -0.262 nan 8.190 nan 0.000 0.425 147 V N 2.597 122.464 119.914 -0.078 0.000 2.709 147 V HA 0.840 4.960 4.120 -0.000 0.000 0.308 147 V C -0.081 175.953 176.094 -0.100 0.000 1.062 147 V CA -0.273 61.977 62.300 -0.084 0.000 0.901 147 V CB 2.352 34.117 31.823 -0.095 0.000 1.003 147 V HN 1.100 nan 8.190 nan 0.000 0.425 148 T N 1.327 115.821 114.554 -0.099 0.000 2.883 148 T HA 0.953 5.303 4.350 -0.000 0.000 0.296 148 T C -0.579 174.017 174.700 -0.174 0.000 1.117 148 T CA -0.197 61.820 62.100 -0.138 0.000 1.006 148 T CB 2.287 71.088 68.868 -0.111 0.000 1.191 148 T HN 1.316 nan 8.240 nan 0.000 0.508 149 A N 0.738 123.410 122.820 -0.246 0.000 2.485 149 A HA 0.766 5.086 4.320 -0.000 0.000 0.292 149 A C 1.073 178.429 177.584 -0.380 0.000 1.147 149 A CA -0.270 51.594 52.037 -0.289 0.000 0.750 149 A CB 1.288 20.134 19.000 -0.255 0.000 1.331 149 A HN 1.699 nan 8.150 nan 0.000 0.419 150 V N -1.514 118.153 119.914 -0.412 0.000 3.406 150 V HA 0.358 4.478 4.120 -0.000 0.000 0.263 150 V C 0.585 176.307 176.094 -0.620 0.000 1.172 150 V CA 1.197 63.178 62.300 -0.531 0.000 1.140 150 V CB -1.101 30.409 31.823 -0.523 0.000 0.784 150 V HN 1.527 nan 8.190 nan 0.000 0.467 151 S N -2.150 113.293 115.700 -0.428 0.000 2.565 151 S HA 0.483 4.953 4.470 -0.000 0.000 0.269 151 S C 0.047 174.516 174.600 -0.218 0.000 1.153 151 S CA -0.293 57.755 58.200 -0.253 0.000 0.835 151 S CB 1.238 64.440 63.200 0.003 0.000 1.122 151 S HN 0.264 nan 8.310 nan 0.000 0.462 152 H N 1.105 120.157 119.070 -0.031 0.000 2.421 152 H HA 0.035 4.591 4.556 -0.000 0.000 0.298 152 H C 2.323 177.661 175.328 0.018 0.000 1.087 152 H CA 1.963 58.004 56.048 -0.012 0.000 1.330 152 H CB 0.014 29.797 29.762 0.035 0.000 1.388 152 H HN 0.601 nan 8.280 nan 0.000 0.526 153 S N -0.042 115.753 115.700 0.158 0.000 2.382 153 S HA -0.136 4.334 4.470 -0.000 0.000 0.228 153 S C 2.064 176.700 174.600 0.061 0.000 1.027 153 S CA 0.934 59.201 58.200 0.113 0.000 0.991 153 S CB -0.269 63.003 63.200 0.121 0.000 0.823 153 S HN 0.281 nan 8.310 nan 0.000 0.469 154 L N 1.820 123.053 121.223 0.017 0.000 2.027 154 L HA 0.164 4.504 4.340 -0.000 0.000 0.206 154 L C 2.012 178.855 176.870 -0.045 0.000 1.074 154 L CA 1.648 56.472 54.840 -0.027 0.000 0.745 154 L CB -0.687 41.326 42.059 -0.077 0.000 0.898 154 L HN 0.390 nan 8.230 nan 0.000 0.433 155 I N -0.339 120.199 120.570 -0.053 0.000 2.530 155 I HA -0.287 3.883 4.170 -0.000 0.000 0.257 155 I C 2.082 178.240 176.117 0.068 0.000 1.179 155 I CA 0.902 62.183 61.300 -0.033 0.000 1.440 155 I CB -0.507 37.486 38.000 -0.011 0.000 1.087 155 I HN 0.444 nan 8.210 nan 0.000 0.440 156 N N 0.409 119.154 118.700 0.076 0.000 2.220 156 N HA -0.109 4.631 4.740 -0.000 0.000 0.182 156 N C 1.723 177.276 175.510 0.073 0.000 1.023 156 N CA 0.849 53.960 53.050 0.101 0.000 0.856 156 N CB 0.125 38.663 38.487 0.086 0.000 0.997 156 N HN 0.295 nan 8.380 nan 0.000 0.429 157 E N 0.415 120.638 120.200 0.037 0.000 2.118 157 E HA -0.106 4.244 4.350 -0.000 0.000 0.195 157 E C 1.666 178.262 176.600 -0.007 0.000 0.992 157 E CA 1.021 57.433 56.400 0.020 0.000 0.804 157 E CB -0.251 29.458 29.700 0.015 0.000 0.741 157 E HN 0.350 nan 8.360 nan 0.000 0.458 158 T N 0.557 115.078 114.554 -0.054 0.000 2.674 158 T HA -0.127 4.223 4.350 -0.000 0.000 0.265 158 T C 1.625 176.244 174.700 -0.136 0.000 1.039 158 T CA 1.022 63.041 62.100 -0.136 0.000 1.150 158 T CB -0.258 68.458 68.868 -0.254 0.000 0.864 158 T HN 0.251 nan 8.240 nan 0.000 0.427 159 H N 0.537 119.597 119.070 -0.017 0.000 2.524 159 H HA 0.097 4.653 4.556 -0.000 0.000 0.282 159 H C 2.276 177.600 175.328 -0.006 0.000 1.016 159 H CA 0.874 56.914 56.048 -0.013 0.000 1.270 159 H CB 0.121 29.876 29.762 -0.012 0.000 1.394 159 H HN 0.546 nan 8.280 nan 0.000 0.568 160 E N 0.464 120.722 120.200 0.098 0.000 2.075 160 E HA -0.036 4.314 4.350 -0.000 0.000 0.190 160 E C 1.906 178.528 176.600 0.037 0.000 0.969 160 E CA 0.168 56.605 56.400 0.062 0.000 0.815 160 E CB 0.337 30.066 29.700 0.050 0.000 0.776 160 E HN 0.304 nan 8.360 nan 0.000 0.457 161 L N 0.043 121.278 121.223 0.020 0.000 2.130 161 L HA 0.004 4.344 4.340 -0.000 0.000 0.200 161 L C 2.406 179.278 176.870 0.003 0.000 1.075 161 L CA 0.335 55.181 54.840 0.010 0.000 0.768 161 L CB -0.139 41.922 42.059 0.004 0.000 0.933 161 L HN 0.023 nan 8.230 nan 0.000 0.451 162 V N -0.963 118.942 119.914 -0.015 0.000 2.535 162 V HA -0.061 4.059 4.120 -0.000 0.000 0.246 162 V C 0.800 176.891 176.094 -0.005 0.000 1.045 162 V CA 0.556 62.843 62.300 -0.022 0.000 1.058 162 V CB -0.492 31.298 31.823 -0.056 0.000 0.689 162 V HN 0.465 nan 8.190 nan 0.000 0.461 163 K N -0.240 120.167 120.400 0.011 0.000 3.244 163 K HA -0.140 4.180 4.320 -0.000 0.000 0.270 163 K C -2.372 174.261 176.600 0.055 0.000 1.016 163 K CA 0.326 56.652 56.287 0.064 0.000 0.754 163 K CB -1.493 31.038 32.500 0.052 0.000 1.326 163 K HN 0.470 nan 8.250 nan 0.000 0.465 164 P HA 0.044 nan 4.420 nan 0.000 0.277 164 P C -0.794 176.544 177.300 0.064 0.000 1.240 164 P CA -0.193 62.909 63.100 0.002 0.000 0.798 164 P CB 0.610 32.263 31.700 -0.079 0.000 0.979 165 N N 1.617 120.334 118.700 0.029 0.000 3.322 165 N HA 0.190 4.930 4.740 -0.000 0.000 0.290 165 N C -0.064 175.456 175.510 0.016 0.000 1.297 165 N CA -0.168 52.902 53.050 0.034 0.000 1.167 165 N CB 0.099 38.593 38.487 0.012 0.000 1.434 165 N HN 0.320 nan 8.380 nan 0.000 0.526 166 K N 0.432 120.859 120.400 0.044 0.000 2.556 166 K HA 0.285 4.605 4.320 -0.000 0.000 0.274 166 K C -2.019 174.615 176.600 0.055 0.000 0.966 166 K CA -0.691 55.602 56.287 0.009 0.000 0.865 166 K CB 1.477 33.950 32.500 -0.045 0.000 1.444 166 K HN -0.111 nan 8.250 nan 0.000 0.433 167 D N 2.136 122.548 120.400 0.020 0.000 2.210 167 D HA 0.366 5.006 4.640 -0.000 0.000 0.249 167 D C -0.353 175.946 176.300 -0.002 0.000 1.078 167 D CA 0.031 54.050 54.000 0.033 0.000 0.875 167 D CB 0.912 41.712 40.800 0.000 0.000 1.175 167 D HN 0.395 nan 8.370 nan 0.000 0.440 168 I N 2.051 122.630 120.570 0.015 0.000 2.406 168 I HA 0.166 4.336 4.170 -0.000 0.000 0.290 168 I C 0.531 176.600 176.117 -0.080 0.000 0.999 168 I CA -0.739 60.526 61.300 -0.059 0.000 1.124 168 I CB 1.516 39.458 38.000 -0.097 0.000 1.289 168 I HN 0.024 nan 8.210 nan 0.000 0.441 169 Q N 3.314 123.039 119.800 -0.124 0.000 2.249 169 Q HA 0.474 4.814 4.340 -0.000 0.000 0.226 169 Q C -0.611 175.232 176.000 -0.261 0.000 0.983 169 Q CA -0.549 55.154 55.803 -0.166 0.000 0.930 169 Q CB 1.521 30.155 28.738 -0.173 0.000 1.193 169 Q HN 0.516 nan 8.270 nan 0.000 0.508 170 T N 0.789 115.134 114.554 -0.347 0.000 2.807 170 T HA 0.513 4.863 4.350 -0.000 0.000 0.279 170 T C -1.045 173.327 174.700 -0.545 0.000 0.993 170 T CA -0.543 61.226 62.100 -0.551 0.000 0.970 170 T CB 1.015 69.349 68.868 -0.890 0.000 0.950 170 T HN 0.261 nan 8.240 nan 0.000 0.441 171 V N 4.098 123.676 119.914 -0.560 0.000 2.532 171 V HA 0.337 4.457 4.120 -0.000 0.000 0.294 171 V C -1.001 174.882 176.094 -0.352 0.000 1.036 171 V CA -1.203 60.814 62.300 -0.472 0.000 0.876 171 V CB 0.713 32.154 31.823 -0.637 0.000 1.012 171 V HN 0.848 nan 8.190 nan 0.000 0.432 172 Y N 2.217 122.480 120.300 -0.062 0.000 2.330 172 Y HA 0.237 4.787 4.550 -0.000 0.000 0.341 172 Y C 1.170 177.174 175.900 0.172 0.000 1.278 172 Y CA 0.197 58.284 58.100 -0.021 0.000 1.453 172 Y CB 0.666 39.360 38.460 0.390 0.000 1.342 172 Y HN 0.606 nan 8.280 nan 0.000 0.590 173 N N 0.627 119.547 118.700 0.366 0.000 2.445 173 N HA 0.391 5.131 4.740 -0.000 0.000 0.264 173 N C -1.162 174.655 175.510 0.513 0.000 1.227 173 N CA -0.483 52.847 53.050 0.467 0.000 0.963 173 N CB 0.628 39.383 38.487 0.447 0.000 1.188 173 N HN 0.472 nan 8.380 nan 0.000 0.491 174 F N -1.455 118.644 119.950 0.249 0.000 2.691 174 F HA 0.772 5.299 4.527 -0.000 0.000 0.334 174 F C -1.152 174.692 175.800 0.072 0.000 1.107 174 F CA -1.162 56.941 58.000 0.173 0.000 0.991 174 F CB 1.004 40.122 39.000 0.197 0.000 1.400 174 F HN 0.062 nan 8.300 nan 0.000 0.503 175 I N 0.886 121.567 120.570 0.185 0.000 2.769 175 I HA 0.214 4.384 4.170 -0.000 0.000 0.298 175 I C -1.376 174.876 176.117 0.225 0.000 1.128 175 I CA -0.632 60.666 61.300 -0.003 0.000 1.031 175 I CB 1.760 39.631 38.000 -0.215 0.000 1.235 175 I HN 0.666 nan 8.210 nan 0.000 0.423 176 D N 4.231 124.772 120.400 0.236 0.000 2.374 176 D HA 0.143 4.783 4.640 -0.000 0.000 0.240 176 D C 1.135 177.662 176.300 0.378 0.000 1.229 176 D CA 0.164 54.361 54.000 0.328 0.000 0.895 176 D CB 0.723 41.709 40.800 0.309 0.000 1.046 176 D HN 0.413 nan 8.370 nan 0.000 0.498 177 E N 2.303 122.704 120.200 0.334 0.000 2.267 177 E HA -0.226 4.124 4.350 -0.000 0.000 0.197 177 E C 1.321 178.177 176.600 0.427 0.000 0.998 177 E CA 0.496 57.116 56.400 0.368 0.000 0.830 177 E CB 0.178 30.063 29.700 0.307 0.000 0.751 177 E HN 0.203 nan 8.360 nan 0.000 0.491 178 R N 0.475 121.183 120.500 0.347 0.000 2.357 178 R HA -0.036 4.303 4.340 -0.000 0.000 0.202 178 R C 1.274 177.847 176.300 0.456 0.000 1.047 178 R CA 0.462 56.750 56.100 0.315 0.000 1.034 178 R CB 0.160 30.592 30.300 0.220 0.000 0.875 178 R HN 0.042 nan 8.270 nan 0.000 0.473 179 V N -1.854 118.321 119.914 0.435 0.000 3.431 179 V HA 0.203 4.323 4.120 -0.000 0.000 0.255 179 V C -0.658 175.237 176.094 -0.332 0.000 1.403 179 V CA -0.086 62.293 62.300 0.132 0.000 1.101 179 V CB 0.249 32.111 31.823 0.064 0.000 0.891 179 V HN -0.051 nan 8.190 nan 0.000 0.446 180 Y N 1.968 122.279 120.300 0.020 0.000 2.464 180 Y HA 0.701 5.251 4.550 -0.000 0.000 0.326 180 Y C -0.450 175.496 175.900 0.076 0.000 0.969 180 Y CA -1.663 56.365 58.100 -0.120 0.000 1.270 180 Y CB 0.826 39.278 38.460 -0.014 0.000 1.103 180 Y HN 0.178 nan 8.280 nan 0.000 0.491 181 F N -1.141 118.885 119.950 0.128 0.000 2.640 181 F HA 0.546 5.073 4.527 -0.000 0.000 0.324 181 F C 0.657 176.503 175.800 0.078 0.000 1.077 181 F CA -1.931 56.131 58.000 0.103 0.000 0.965 181 F CB 1.257 40.301 39.000 0.073 0.000 1.351 181 F HN 0.016 nan 8.300 nan 0.000 0.487 182 K N 1.508 122.071 120.400 0.273 0.000 2.668 182 K HA 0.011 4.331 4.320 -0.000 0.000 0.204 182 K C 0.536 177.229 176.600 0.155 0.000 1.016 182 K CA -0.157 56.226 56.287 0.160 0.000 1.131 182 K CB -0.174 32.404 32.500 0.129 0.000 0.891 182 K HN 0.678 nan 8.250 nan 0.000 0.499 183 R N 1.880 122.512 120.500 0.220 0.000 2.817 183 R HA -0.067 4.272 4.340 -0.000 0.000 0.264 183 R C -0.625 175.725 176.300 0.082 0.000 1.009 183 R CA 0.554 56.768 56.100 0.190 0.000 1.133 183 R CB 0.087 30.536 30.300 0.249 0.000 1.013 183 R HN 0.029 nan 8.270 nan 0.000 0.453 184 D N 3.324 123.767 120.400 0.072 0.000 2.593 184 D HA 0.142 4.782 4.640 -0.000 0.000 0.251 184 D C 0.018 176.342 176.300 0.041 0.000 1.140 184 D CA -0.790 53.238 54.000 0.047 0.000 0.855 184 D CB 1.355 42.184 40.800 0.048 0.000 1.267 184 D HN 0.371 nan 8.370 nan 0.000 0.532 185 M N 2.521 122.139 119.600 0.030 0.000 3.690 185 M HA 0.096 4.576 4.480 -0.000 0.000 0.209 185 M C 1.406 177.733 176.300 0.045 0.000 1.403 185 M CA -0.243 55.079 55.300 0.036 0.000 1.621 185 M CB -0.683 31.937 32.600 0.034 0.000 1.056 185 M HN 0.488 nan 8.290 nan 0.000 0.593 186 T N 0.563 115.141 114.554 0.041 0.000 2.833 186 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 186 T C 1.590 176.316 174.700 0.043 0.000 1.054 186 T CA 1.803 63.926 62.100 0.039 0.000 1.135 186 T CB 0.229 69.117 68.868 0.033 0.000 0.869 186 T HN 0.620 nan 8.240 nan 0.000 0.466 187 Q N -0.248 119.576 119.800 0.040 0.000 2.230 187 Q HA 0.046 4.386 4.340 -0.000 0.000 0.202 187 Q C 2.140 178.167 176.000 0.045 0.000 0.963 187 Q CA 0.866 56.690 55.803 0.036 0.000 0.866 187 Q CB -0.132 28.622 28.738 0.027 0.000 0.931 187 Q HN 0.378 nan 8.270 nan 0.000 0.452 188 L N 0.945 122.208 121.223 0.067 0.000 2.179 188 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 188 L C 1.587 178.570 176.870 0.188 0.000 1.096 188 L CA 1.641 56.550 54.840 0.114 0.000 0.779 188 L CB -0.048 42.097 42.059 0.144 0.000 0.922 188 L HN -0.063 nan 8.230 nan 0.000 0.443 189 K N -0.594 119.892 120.400 0.143 0.000 2.103 189 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 189 K C 2.136 178.816 176.600 0.133 0.000 1.048 189 K CA 1.165 57.538 56.287 0.143 0.000 0.930 189 K CB -0.221 32.325 32.500 0.077 0.000 0.716 189 K HN 0.117 nan 8.250 nan 0.000 0.444 190 K N 1.461 121.911 120.400 0.084 0.000 2.026 190 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 190 K C 1.995 178.615 176.600 0.034 0.000 1.048 190 K CA 1.442 57.760 56.287 0.052 0.000 0.929 190 K CB -0.038 32.481 32.500 0.031 0.000 0.713 190 K HN 0.175 nan 8.250 nan 0.000 0.439 191 E N -0.979 119.227 120.200 0.010 0.000 2.333 191 E HA -0.172 4.178 4.350 -0.000 0.000 0.198 191 E C 0.936 177.429 176.600 -0.179 0.000 1.007 191 E CA 0.987 57.334 56.400 -0.088 0.000 0.845 191 E CB 0.067 29.688 29.700 -0.132 0.000 0.766 191 E HN 0.277 nan 8.360 nan 0.000 0.507 192 Y N -1.302 119.004 120.300 0.010 0.000 2.458 192 Y HA 0.260 4.810 4.550 -0.000 0.000 0.256 192 Y C 1.349 177.260 175.900 0.018 0.000 1.159 192 Y CA 0.490 58.598 58.100 0.013 0.000 1.261 192 Y CB 1.353 39.820 38.460 0.011 0.000 1.119 192 Y HN 0.116 nan 8.280 nan 0.000 0.524 193 G N 1.357 110.231 108.800 0.123 0.000 2.147 193 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.244 193 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.244 193 G C -0.013 174.939 174.900 0.088 0.000 1.005 193 G CA 0.324 45.476 45.100 0.088 0.000 0.713 193 G HN 0.374 nan 8.290 nan 0.000 0.515 194 I N 0.325 120.953 120.570 0.096 0.000 2.562 194 I HA 0.645 4.815 4.170 -0.000 0.000 0.301 194 I C 1.118 177.268 176.117 0.055 0.000 1.003 194 I CA -0.276 61.069 61.300 0.074 0.000 1.127 194 I CB 1.483 39.530 38.000 0.078 0.000 1.304 194 I HN 0.246 nan 8.210 nan 0.000 0.446 200 I N 3.287 123.885 120.570 0.047 0.000 2.389 200 I HA 0.317 4.487 4.170 -0.000 0.000 0.288 200 I C -0.792 175.350 176.117 0.041 0.000 0.999 200 I CA -1.120 60.201 61.300 0.036 0.000 1.129 200 I CB 1.236 39.235 38.000 -0.001 0.000 1.288 200 I HN 0.255 nan 8.210 nan 0.000 0.444 201 L N 7.605 128.843 121.223 0.026 0.000 2.305 201 L HA 0.485 4.825 4.340 -0.000 0.000 0.284 201 L C -0.379 176.442 176.870 -0.082 0.000 1.013 201 L CA -0.183 54.660 54.840 0.006 0.000 0.819 201 L CB 1.446 43.540 42.059 0.058 0.000 1.227 201 L HN 0.435 nan 8.230 nan 0.000 0.417 202 I N 3.345 123.887 120.570 -0.046 0.000 2.441 202 I HA 0.376 4.546 4.170 -0.000 0.000 0.295 202 I C -1.225 174.888 176.117 -0.005 0.000 0.994 202 I CA -0.501 60.764 61.300 -0.060 0.000 1.144 202 I CB 1.649 39.613 38.000 -0.061 0.000 1.314 202 I HN 0.741 nan 8.210 nan 0.000 0.445 203 H N 6.978 125.975 119.070 -0.121 0.000 2.782 203 H HA 0.603 5.159 4.556 -0.000 0.000 0.347 203 H C -1.686 173.600 175.328 -0.070 0.000 1.038 203 H CA -0.502 55.480 56.048 -0.110 0.000 1.255 203 H CB 1.385 31.051 29.762 -0.160 0.000 1.623 203 H HN 0.437 nan 8.280 nan 0.000 0.525 204 I N 5.083 125.228 120.570 -0.708 0.000 2.406 204 I HA 0.508 4.678 4.170 -0.000 0.000 0.290 204 I C -0.422 175.349 176.117 -0.577 0.000 0.999 204 I CA -0.463 60.540 61.300 -0.495 0.000 1.124 204 I CB 1.536 39.406 38.000 -0.215 0.000 1.289 204 I HN 0.775 nan 8.210 nan 0.000 0.441 205 S N 3.115 118.622 115.700 -0.321 0.000 2.661 205 S HA 0.328 4.798 4.470 -0.000 0.000 0.268 205 S C -0.633 174.053 174.600 0.143 0.000 1.162 205 S CA -0.887 57.247 58.200 -0.110 0.000 0.817 205 S CB 1.386 64.527 63.200 -0.098 0.000 1.141 205 S HN 0.645 nan 8.310 nan 0.000 0.477 206 N N -0.257 118.535 118.700 0.153 0.000 2.320 206 N HA 0.262 5.002 4.740 -0.000 0.000 0.237 206 N C -0.408 175.316 175.510 0.357 0.000 1.129 206 N CA -0.589 52.592 53.050 0.218 0.000 0.854 206 N CB -0.971 37.579 38.487 0.105 0.000 1.083 206 N HN 0.556 nan 8.380 nan 0.000 0.504 207 F N 0.078 120.093 119.950 0.108 0.000 2.925 207 F HA -0.314 4.213 4.527 -0.000 0.000 0.239 207 F C 0.530 176.390 175.800 0.100 0.000 1.009 207 F CA 0.530 58.611 58.000 0.135 0.000 0.847 207 F CB -1.509 37.615 39.000 0.206 0.000 0.719 207 F HN 0.249 nan 8.300 nan 0.000 0.826 208 R N -0.050 120.543 120.500 0.156 0.000 2.674 208 R HA 0.363 4.703 4.340 -0.000 0.000 0.266 208 R C 1.443 177.780 176.300 0.060 0.000 1.016 208 R CA -0.963 55.200 56.100 0.105 0.000 1.062 208 R CB 0.957 31.305 30.300 0.079 0.000 1.142 208 R HN 0.161 nan 8.270 nan 0.000 0.517 209 K N 0.319 120.750 120.400 0.052 0.000 2.147 209 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 209 K C 1.727 178.337 176.600 0.017 0.000 1.049 209 K CA 1.129 57.434 56.287 0.030 0.000 0.936 209 K CB -0.042 32.477 32.500 0.032 0.000 0.722 209 K HN 0.269 nan 8.250 nan 0.000 0.446 210 V N 1.756 121.686 119.914 0.026 0.000 2.626 210 V HA -0.179 3.941 4.120 -0.000 0.000 0.252 210 V C 1.855 177.958 176.094 0.015 0.000 1.067 210 V CA 1.419 63.733 62.300 0.024 0.000 1.081 210 V CB -0.445 31.399 31.823 0.036 0.000 0.686 210 V HN 0.196 nan 8.190 nan 0.000 0.468 211 K N -0.123 120.284 120.400 0.011 0.000 2.365 211 K HA 0.033 4.353 4.320 -0.000 0.000 0.199 211 K C 0.648 177.218 176.600 -0.050 0.000 1.045 211 K CA 0.060 56.348 56.287 0.001 0.000 0.962 211 K CB -0.193 32.313 32.500 0.010 0.000 0.759 211 K HN 0.338 nan 8.250 nan 0.000 0.469 212 R N 0.227 120.692 120.500 -0.058 0.000 3.264 212 R HA -0.123 4.217 4.340 -0.000 0.000 0.251 212 R C 0.906 177.107 176.300 -0.164 0.000 0.971 212 R CA 0.410 56.461 56.100 -0.082 0.000 0.658 212 R CB -2.985 27.278 30.300 -0.061 0.000 1.095 212 R HN 0.037 nan 8.270 nan 0.000 0.443 213 V N 0.136 119.916 119.914 -0.223 0.000 2.720 213 V HA -0.323 3.797 4.120 -0.000 0.000 0.256 213 V C 2.311 178.245 176.094 -0.267 0.000 1.082 213 V CA 2.297 64.370 62.300 -0.379 0.000 1.101 213 V CB -0.226 31.268 31.823 -0.549 0.000 0.693 213 V HN 0.415 nan 8.190 nan 0.000 0.479 214 Q N 0.489 120.199 119.800 -0.151 0.000 2.096 214 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 214 Q C 1.899 177.844 176.000 -0.093 0.000 0.982 214 Q CA 1.971 57.720 55.803 -0.090 0.000 0.850 214 Q CB -0.546 28.164 28.738 -0.047 0.000 0.901 214 Q HN 0.563 nan 8.270 nan 0.000 0.422 215 D N -0.058 120.279 120.400 -0.104 0.000 2.178 215 D HA -0.094 4.546 4.640 -0.000 0.000 0.201 215 D C 1.861 178.094 176.300 -0.111 0.000 0.980 215 D CA 0.900 54.848 54.000 -0.087 0.000 0.842 215 D CB -0.064 40.689 40.800 -0.077 0.000 0.948 215 D HN 0.111 nan 8.370 nan 0.000 0.472 216 V N 0.572 120.365 119.914 -0.201 0.000 2.515 216 V HA -0.164 3.956 4.120 -0.000 0.000 0.250 216 V C 2.557 178.571 176.094 -0.132 0.000 1.058 216 V CA 0.852 63.007 62.300 -0.241 0.000 1.064 216 V CB -0.263 31.243 31.823 -0.527 0.000 0.675 216 V HN 0.063 nan 8.190 nan 0.000 0.461 217 V N -0.708 119.137 119.914 -0.115 0.000 2.302 217 V HA -0.180 3.940 4.120 -0.000 0.000 0.243 217 V C 2.603 178.733 176.094 0.060 0.000 1.036 217 V CA 1.481 63.773 62.300 -0.015 0.000 1.020 217 V CB -0.589 31.216 31.823 -0.029 0.000 0.657 217 V HN 0.460 nan 8.190 nan 0.000 0.453 218 Q N 0.352 120.159 119.800 0.012 0.000 2.062 218 Q HA -0.254 4.086 4.340 -0.000 0.000 0.209 218 Q C 2.428 178.440 176.000 0.020 0.000 0.996 218 Q CA 2.296 58.107 55.803 0.014 0.000 0.859 218 Q CB -0.941 27.793 28.738 -0.007 0.000 0.920 218 Q HN 0.638 nan 8.270 nan 0.000 0.415 219 A N 0.066 122.896 122.820 0.016 0.000 1.940 219 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 219 A C 1.973 179.590 177.584 0.055 0.000 1.176 219 A CA 1.333 53.380 52.037 0.018 0.000 0.631 219 A CB -0.854 18.150 19.000 0.007 0.000 0.814 219 A HN 0.386 nan 8.150 nan 0.000 0.446 220 F N 0.542 120.456 119.950 -0.060 0.000 2.206 220 F HA 0.048 4.575 4.527 -0.000 0.000 0.298 220 F C 2.487 178.268 175.800 -0.031 0.000 1.090 220 F CA 0.990 58.961 58.000 -0.049 0.000 1.323 220 F CB -0.107 38.855 39.000 -0.063 0.000 1.028 220 F HN 0.263 nan 8.300 nan 0.000 0.492 221 A N 0.617 123.438 122.820 0.002 0.000 1.908 221 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 221 A C 2.169 179.673 177.584 -0.134 0.000 1.181 221 A CA 2.051 54.049 52.037 -0.065 0.000 0.627 221 A CB -0.551 18.458 19.000 0.016 0.000 0.818 221 A HN 0.478 nan 8.150 nan 0.000 0.445 222 K N -0.687 119.653 120.400 -0.100 0.000 2.005 222 K HA 0.106 4.426 4.320 -0.000 0.000 0.206 222 K C 1.887 178.403 176.600 -0.140 0.000 1.044 222 K CA 0.972 57.201 56.287 -0.096 0.000 0.942 222 K CB -0.374 32.091 32.500 -0.058 0.000 0.727 222 K HN 0.357 nan 8.250 nan 0.000 0.439 223 I N 1.948 122.429 120.570 -0.148 0.000 2.502 223 I HA -0.210 3.960 4.170 -0.000 0.000 0.258 223 I C 1.913 177.878 176.117 -0.253 0.000 1.172 223 I CA 1.251 62.458 61.300 -0.155 0.000 1.430 223 I CB -0.199 37.753 38.000 -0.080 0.000 1.086 223 I HN -0.016 nan 8.210 nan 0.000 0.440 224 V N 0.947 120.612 119.914 -0.416 0.000 2.649 224 V HA -0.192 3.927 4.120 -0.000 0.000 0.248 224 V C 2.622 178.578 176.094 -0.230 0.000 1.054 224 V CA 1.996 64.028 62.300 -0.447 0.000 1.073 224 V CB -0.374 31.036 31.823 -0.688 0.000 0.699 224 V HN 0.682 nan 8.190 nan 0.000 0.463 225 T N -2.381 112.068 114.554 -0.175 0.000 2.833 225 T HA -0.186 4.163 4.350 -0.000 0.000 0.269 225 T C 1.443 176.091 174.700 -0.087 0.000 1.054 225 T CA 1.867 63.902 62.100 -0.109 0.000 1.135 225 T CB -0.311 68.506 68.868 -0.085 0.000 0.869 225 T HN 0.646 nan 8.240 nan 0.000 0.466 226 E N -0.070 120.075 120.200 -0.092 0.000 2.498 226 E HA 0.345 4.695 4.350 -0.000 0.000 0.203 226 E C -0.538 176.024 176.600 -0.063 0.000 1.013 226 E CA -0.124 56.236 56.400 -0.067 0.000 0.927 226 E CB 1.193 30.858 29.700 -0.057 0.000 1.012 226 E HN 0.319 nan 8.360 nan 0.000 0.482 227 V N 2.373 122.238 119.914 -0.082 0.000 2.891 227 V HA 0.042 4.162 4.120 -0.000 0.000 0.304 227 V C -1.104 174.945 176.094 -0.075 0.000 1.171 227 V CA -1.179 61.083 62.300 -0.064 0.000 0.943 227 V CB 2.345 34.138 31.823 -0.050 0.000 1.037 227 V HN 0.137 nan 8.190 nan 0.000 0.427 228 D N 3.754 124.129 120.400 -0.041 0.000 2.339 228 D HA 0.644 5.284 4.640 -0.000 0.000 0.241 228 D C -0.339 175.967 176.300 0.009 0.000 1.183 228 D CA -0.011 53.973 54.000 -0.026 0.000 0.859 228 D CB 1.893 42.688 40.800 -0.008 0.000 1.067 228 D HN 0.825 nan 8.370 nan 0.000 0.484 229 A N 1.409 124.252 122.820 0.038 0.000 2.604 229 A HA 0.699 5.019 4.320 -0.000 0.000 0.295 229 A C -0.636 177.152 177.584 0.339 0.000 1.067 229 A CA -0.693 51.431 52.037 0.145 0.000 0.683 229 A CB 1.394 20.493 19.000 0.164 0.000 1.281 229 A HN 0.817 nan 8.150 nan 0.000 0.407 230 K N 0.136 120.708 120.400 0.287 0.000 2.156 230 K HA 0.828 5.148 4.320 -0.000 0.000 0.250 230 K C -0.993 175.576 176.600 -0.052 0.000 0.955 230 K CA -0.473 55.964 56.287 0.250 0.000 0.855 230 K CB 1.417 33.972 32.500 0.092 0.000 1.101 230 K HN 1.721 nan 8.250 nan 0.000 0.434 231 L N 1.857 122.752 121.223 -0.547 0.000 2.287 231 L HA 0.521 4.861 4.340 -0.000 0.000 0.287 231 L C -0.831 175.769 176.870 -0.450 0.000 1.022 231 L CA -0.844 53.498 54.840 -0.829 0.000 0.814 231 L CB 1.011 42.083 42.059 -1.646 0.000 1.217 231 L HN 0.661 nan 8.230 nan 0.000 0.420 232 L N 6.634 127.675 121.223 -0.303 0.000 2.261 232 L HA 0.340 4.680 4.340 -0.000 0.000 0.289 232 L C -0.478 176.283 176.870 -0.182 0.000 1.059 232 L CA -0.167 54.538 54.840 -0.225 0.000 0.816 232 L CB 0.661 42.603 42.059 -0.194 0.000 1.191 232 L HN 0.531 nan 8.230 nan 0.000 0.431 233 L N 5.399 126.507 121.223 -0.191 0.000 2.314 233 L HA 0.332 4.672 4.340 -0.000 0.000 0.275 233 L C -0.247 176.689 176.870 0.111 0.000 1.068 233 L CA -0.524 54.292 54.840 -0.039 0.000 0.894 233 L CB 1.177 43.127 42.059 -0.181 0.000 1.275 233 L HN 0.306 nan 8.230 nan 0.000 0.432 234 V N 2.676 122.642 119.914 0.085 0.000 2.583 234 V HA 0.794 4.914 4.120 -0.000 0.000 0.287 234 V C 0.756 176.967 176.094 0.196 0.000 1.051 234 V CA 0.085 62.432 62.300 0.079 0.000 1.010 234 V CB 1.019 32.835 31.823 -0.013 0.000 0.988 234 V HN 0.968 nan 8.190 nan 0.000 0.478 235 G N 3.806 112.687 108.800 0.135 0.000 2.440 235 G HA2 0.247 4.207 3.960 -0.000 0.000 0.684 235 G HA3 0.247 4.207 3.960 -0.000 0.000 0.684 235 G C -1.513 173.325 174.900 -0.104 0.000 1.309 235 G CA -0.242 44.944 45.100 0.144 0.000 0.931 235 G HN 0.952 nan 8.290 nan 0.000 0.612 236 D N -0.955 119.381 120.400 -0.108 0.000 2.837 236 D HA 0.798 5.438 4.640 -0.000 0.000 0.220 236 D C 0.293 176.563 176.300 -0.050 0.000 1.236 236 D CA 1.241 55.065 54.000 -0.293 0.000 0.838 236 D CB 1.517 42.112 40.800 -0.340 0.000 1.647 236 D HN 1.593 nan 8.370 nan 0.000 0.486 237 G N 1.707 110.525 108.800 0.029 0.000 2.489 237 G HA2 0.374 4.334 3.960 -0.000 0.000 0.305 237 G HA3 0.374 4.334 3.960 -0.000 0.000 0.305 237 G C -2.263 172.743 174.900 0.176 0.000 1.311 237 G CA -0.718 44.469 45.100 0.145 0.000 0.813 237 G HN 0.353 nan 8.290 nan 0.000 0.480 238 P HA -0.055 nan 4.420 nan 0.000 0.214 238 P C 1.172 178.587 177.300 0.192 0.000 1.163 238 P CA 1.095 64.276 63.100 0.134 0.000 0.889 238 P CB 0.265 32.023 31.700 0.097 0.000 0.790 239 E N -1.741 118.602 120.200 0.239 0.000 2.461 239 E HA -0.071 4.279 4.350 -0.000 0.000 0.196 239 E C 1.357 178.168 176.600 0.353 0.000 1.129 239 E CA 0.088 56.632 56.400 0.241 0.000 0.902 239 E CB -0.869 28.944 29.700 0.190 0.000 0.963 239 E HN 0.339 nan 8.360 nan 0.000 0.503 240 F N 0.565 120.649 119.950 0.223 0.000 2.075 240 F HA -0.277 4.250 4.527 -0.000 0.000 0.297 240 F C 2.204 178.074 175.800 0.117 0.000 1.113 240 F CA 1.451 59.554 58.000 0.171 0.000 1.218 240 F CB -0.230 38.725 39.000 -0.074 0.000 0.984 240 F HN 0.074 nan 8.300 nan 0.000 0.472 241 C N -0.004 119.439 119.300 0.238 0.000 2.413 241 C HA -0.194 4.266 4.460 -0.000 0.000 0.276 241 C C 2.680 177.676 174.990 0.011 0.000 1.248 241 C CA 1.699 60.775 59.018 0.095 0.000 1.742 241 C CB -1.579 26.227 27.740 0.110 0.000 2.017 241 C HN 0.572 nan 8.230 nan 0.000 0.481 242 T N 1.625 116.212 114.554 0.054 0.000 2.684 242 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 242 T C 1.678 176.394 174.700 0.027 0.000 1.036 242 T CA 1.307 63.431 62.100 0.039 0.000 1.148 242 T CB -0.225 68.677 68.868 0.057 0.000 0.863 242 T HN 0.308 nan 8.240 nan 0.000 0.436 243 I N 0.849 121.449 120.570 0.050 0.000 2.315 243 I HA -0.030 4.140 4.170 -0.000 0.000 0.248 243 I C 2.276 178.441 176.117 0.081 0.000 1.117 243 I CA 0.821 62.173 61.300 0.086 0.000 1.404 243 I CB -1.272 36.853 38.000 0.209 0.000 1.071 243 I HN 0.210 nan 8.210 nan 0.000 0.419 244 L N 0.815 121.961 121.223 -0.128 0.000 2.056 244 L HA -0.201 4.139 4.340 -0.000 0.000 0.207 244 L C 2.496 179.294 176.870 -0.121 0.000 1.078 244 L CA 1.777 56.431 54.840 -0.309 0.000 0.749 244 L CB -0.827 40.893 42.059 -0.564 0.000 0.901 244 L HN 0.168 nan 8.230 nan 0.000 0.433 245 Q N -0.846 118.912 119.800 -0.070 0.000 2.119 245 Q HA -0.185 4.155 4.340 -0.000 0.000 0.201 245 Q C 2.060 178.052 176.000 -0.013 0.000 0.972 245 Q CA 1.867 57.648 55.803 -0.038 0.000 0.847 245 Q CB -0.472 28.255 28.738 -0.018 0.000 0.903 245 Q HN 0.502 nan 8.270 nan 0.000 0.433 246 L N -0.373 120.858 121.223 0.013 0.000 1.988 246 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 246 L C 2.280 179.177 176.870 0.046 0.000 1.071 246 L CA 1.949 56.807 54.840 0.030 0.000 0.744 246 L CB -0.888 41.192 42.059 0.036 0.000 0.893 246 L HN 0.299 nan 8.230 nan 0.000 0.433 247 V N -2.605 117.364 119.914 0.093 0.000 2.688 247 V HA -0.295 3.825 4.120 -0.000 0.000 0.256 247 V C 2.495 178.623 176.094 0.056 0.000 1.084 247 V CA 2.113 64.487 62.300 0.122 0.000 1.103 247 V CB -1.160 30.815 31.823 0.253 0.000 0.688 247 V HN 0.520 nan 8.190 nan 0.000 0.480 248 K N 2.301 122.702 120.400 0.003 0.000 1.984 248 K HA -0.125 4.195 4.320 -0.000 0.000 0.209 248 K C 1.538 178.038 176.600 -0.166 0.000 1.046 248 K CA 1.793 58.036 56.287 -0.072 0.000 0.934 248 K CB -0.217 32.240 32.500 -0.072 0.000 0.717 248 K HN 0.796 nan 8.250 nan 0.000 0.438 249 N N 0.309 118.943 118.700 -0.110 0.000 2.346 249 N HA 0.014 4.754 4.740 -0.000 0.000 0.225 249 N C 0.253 175.752 175.510 -0.018 0.000 1.144 249 N CA 0.167 53.142 53.050 -0.125 0.000 0.837 249 N CB 0.664 39.134 38.487 -0.029 0.000 1.069 249 N HN 0.074 nan 8.380 nan 0.000 0.487 250 L N -1.043 120.171 121.223 -0.015 0.000 2.966 250 L HA 0.282 4.621 4.340 -0.000 0.000 0.262 250 L C -0.354 176.650 176.870 0.223 0.000 1.165 250 L CA -0.207 54.716 54.840 0.139 0.000 0.978 250 L CB -0.554 41.562 42.059 0.094 0.000 1.337 250 L HN 0.229 nan 8.230 nan 0.000 0.563 251 H N -1.532 117.562 119.070 0.040 0.000 2.776 251 H HA -0.196 4.360 4.556 -0.000 0.000 0.300 251 H C 0.884 176.243 175.328 0.052 0.000 1.161 251 H CA 1.292 57.363 56.048 0.039 0.000 1.147 251 H CB -1.980 27.795 29.762 0.023 0.000 1.366 251 H HN 0.358 nan 8.280 nan 0.000 0.397 252 I N -1.461 119.187 120.570 0.130 0.000 4.154 252 I HA 0.033 4.203 4.170 -0.000 0.000 0.334 252 I C 2.167 178.377 176.117 0.156 0.000 1.371 252 I CA -0.135 61.258 61.300 0.155 0.000 1.110 252 I CB 0.197 38.317 38.000 0.200 0.000 1.085 252 I HN 0.162 nan 8.210 nan 0.000 0.398 253 E N 2.761 123.026 120.200 0.108 0.000 2.136 253 E HA -0.275 4.075 4.350 -0.000 0.000 0.202 253 E C 0.716 177.392 176.600 0.126 0.000 1.019 253 E CA 2.204 58.667 56.400 0.106 0.000 0.819 253 E CB -0.008 29.713 29.700 0.034 0.000 0.739 253 E HN 0.682 nan 8.360 nan 0.000 0.458 254 D N -1.371 119.095 120.400 0.111 0.000 2.370 254 D HA 0.018 4.658 4.640 -0.000 0.000 0.230 254 D C 0.895 177.269 176.300 0.124 0.000 1.143 254 D CA 0.018 54.082 54.000 0.106 0.000 0.834 254 D CB -0.143 40.709 40.800 0.086 0.000 0.944 254 D HN 0.015 nan 8.370 nan 0.000 0.504 255 R N -0.384 120.208 120.500 0.155 0.000 2.566 255 R HA 0.301 4.641 4.340 -0.000 0.000 0.388 255 R C -0.915 175.466 176.300 0.135 0.000 0.989 255 R CA -0.157 56.057 56.100 0.190 0.000 1.164 255 R CB 1.685 32.156 30.300 0.286 0.000 1.459 255 R HN 0.021 nan 8.270 nan 0.000 0.553 256 V N 1.640 121.597 119.914 0.072 0.000 2.638 256 V HA 0.313 4.433 4.120 -0.000 0.000 0.306 256 V C -1.009 175.081 176.094 -0.007 0.000 1.052 256 V CA -0.720 61.523 62.300 -0.095 0.000 0.885 256 V CB 2.446 34.216 31.823 -0.089 0.000 0.999 256 V HN 0.041 nan 8.190 nan 0.000 0.424 257 L N 5.705 126.868 121.223 -0.099 0.000 2.589 257 L HA 0.487 4.827 4.340 -0.000 0.000 0.244 257 L C -0.194 176.724 176.870 0.080 0.000 1.159 257 L CA 0.046 54.914 54.840 0.047 0.000 1.074 257 L CB -0.192 41.873 42.059 0.010 0.000 1.391 257 L HN 0.425 nan 8.230 nan 0.000 0.423 258 F N 1.760 121.744 119.950 0.057 0.000 2.593 258 F HA -0.098 4.429 4.527 -0.000 0.000 0.393 258 F C 1.200 177.060 175.800 0.101 0.000 1.037 258 F CA 0.139 58.201 58.000 0.104 0.000 1.195 258 F CB 0.357 39.450 39.000 0.154 0.000 1.034 258 F HN 0.238 nan 8.300 nan 0.000 0.552 259 L N 3.333 124.673 121.223 0.195 0.000 2.693 259 L HA 0.338 4.678 4.340 -0.000 0.000 0.235 259 L C 1.124 178.059 176.870 0.108 0.000 1.127 259 L CA 0.511 55.436 54.840 0.141 0.000 0.914 259 L CB -0.576 41.523 42.059 0.067 0.000 1.193 259 L HN 0.893 nan 8.230 nan 0.000 0.502 260 G N 0.923 109.798 108.800 0.125 0.000 2.804 260 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.230 260 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.230 260 G C -0.062 174.829 174.900 -0.014 0.000 1.386 260 G CA -0.055 45.047 45.100 0.004 0.000 0.875 260 G HN 0.484 nan 8.290 nan 0.000 0.557 261 K N 0.332 120.695 120.400 -0.062 0.000 2.349 261 K HA 0.544 4.864 4.320 -0.000 0.000 0.289 261 K C 0.198 176.786 176.600 -0.021 0.000 1.064 261 K CA -0.343 55.925 56.287 -0.032 0.000 0.947 261 K CB 1.083 33.555 32.500 -0.047 0.000 1.007 261 K HN 0.496 nan 8.250 nan 0.000 0.478 262 Q N 2.597 122.393 119.800 -0.006 0.000 2.195 262 Q HA 0.148 4.488 4.340 -0.000 0.000 0.250 262 Q C -0.421 175.570 176.000 -0.014 0.000 0.988 262 Q CA -0.470 55.329 55.803 -0.007 0.000 0.911 262 Q CB 1.811 30.550 28.738 0.002 0.000 1.258 262 Q HN 0.830 nan 8.270 nan 0.000 0.475 263 D N -0.543 119.847 120.400 -0.017 0.000 2.766 263 D HA 0.030 4.670 4.640 -0.000 0.000 0.284 263 D C -0.430 175.858 176.300 -0.020 0.000 1.050 263 D CA 0.231 54.221 54.000 -0.018 0.000 0.945 263 D CB 0.464 41.250 40.800 -0.024 0.000 1.272 263 D HN 0.348 nan 8.370 nan 0.000 0.482 264 N N 0.570 119.252 118.700 -0.031 0.000 3.245 264 N HA 0.060 4.800 4.740 -0.000 0.000 0.296 264 N C 0.464 175.931 175.510 -0.071 0.000 1.254 264 N CA 0.007 53.022 53.050 -0.059 0.000 1.190 264 N CB 1.215 39.667 38.487 -0.058 0.000 1.460 264 N HN -0.049 nan 8.380 nan 0.000 0.538 265 V N 0.530 120.410 119.914 -0.056 0.000 3.510 265 V HA -0.004 4.116 4.120 -0.000 0.000 0.270 265 V C 1.854 177.889 176.094 -0.098 0.000 1.201 265 V CA 1.003 63.272 62.300 -0.051 0.000 1.166 265 V CB -0.657 31.160 31.823 -0.011 0.000 0.825 265 V HN 0.582 nan 8.190 nan 0.000 0.484 266 A N 0.154 122.835 122.820 -0.232 0.000 1.908 266 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 266 A C 2.064 179.475 177.584 -0.289 0.000 1.181 266 A CA 2.052 53.825 52.037 -0.441 0.000 0.627 266 A CB -0.366 18.156 19.000 -0.796 0.000 0.818 266 A HN 0.690 nan 8.150 nan 0.000 0.445 267 E N -0.142 119.934 120.200 -0.207 0.000 2.107 267 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 267 E C 2.006 178.552 176.600 -0.090 0.000 0.982 267 E CA 0.985 57.303 56.400 -0.136 0.000 0.809 267 E CB -0.325 29.331 29.700 -0.075 0.000 0.756 267 E HN 0.661 nan 8.360 nan 0.000 0.459 268 L N 0.763 121.933 121.223 -0.088 0.000 2.027 268 L HA -0.168 4.172 4.340 -0.000 0.000 0.206 268 L C 2.597 179.417 176.870 -0.083 0.000 1.074 268 L CA 0.894 55.673 54.840 -0.102 0.000 0.745 268 L CB -0.453 41.537 42.059 -0.115 0.000 0.898 268 L HN 0.115 nan 8.230 nan 0.000 0.433 269 L N -0.271 120.915 121.223 -0.061 0.000 2.046 269 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 269 L C 2.935 179.791 176.870 -0.024 0.000 1.077 269 L CA 1.093 55.916 54.840 -0.028 0.000 0.747 269 L CB -0.792 41.278 42.059 0.019 0.000 0.896 269 L HN 0.256 nan 8.230 nan 0.000 0.432 270 A N 1.124 123.912 122.820 -0.053 0.000 1.892 270 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 270 A C 2.065 179.643 177.584 -0.010 0.000 1.188 270 A CA 2.280 54.291 52.037 -0.042 0.000 0.631 270 A CB -0.658 18.288 19.000 -0.090 0.000 0.822 270 A HN 0.604 nan 8.150 nan 0.000 0.447 271 M N -1.224 118.364 119.600 -0.021 0.000 2.652 271 M HA 0.365 4.845 4.480 -0.000 0.000 0.226 271 M C -0.183 176.111 176.300 -0.010 0.000 1.244 271 M CA 0.080 55.375 55.300 -0.007 0.000 0.986 271 M CB 0.006 32.601 32.600 -0.009 0.000 1.666 271 M HN 0.069 nan 8.290 nan 0.000 0.460 272 S N 0.091 115.791 115.700 0.001 0.000 2.704 272 S HA 0.438 4.908 4.470 -0.000 0.000 0.305 272 S C 0.086 174.724 174.600 0.063 0.000 1.107 272 S CA -0.836 57.371 58.200 0.012 0.000 0.993 272 S CB 1.813 65.011 63.200 -0.003 0.000 1.110 272 S HN 0.417 nan 8.310 nan 0.000 0.534 273 D N -0.305 120.149 120.400 0.090 0.000 2.531 273 D HA 0.232 4.872 4.640 -0.000 0.000 0.263 273 D C -0.520 175.921 176.300 0.235 0.000 1.057 273 D CA 0.289 54.409 54.000 0.200 0.000 0.909 273 D CB 0.563 41.450 40.800 0.145 0.000 1.236 273 D HN 0.174 nan 8.370 nan 0.000 0.494 274 L N 0.999 122.303 121.223 0.134 0.000 2.464 274 L HA 0.431 4.771 4.340 -0.000 0.000 0.266 274 L C -1.522 175.379 176.870 0.052 0.000 0.965 274 L CA -0.345 54.555 54.840 0.100 0.000 0.833 274 L CB 2.530 44.665 42.059 0.126 0.000 1.296 274 L HN -0.232 nan 8.230 nan 0.000 0.405 275 M N 5.163 124.781 119.600 0.031 0.000 2.336 275 M HA 0.517 4.997 4.480 -0.000 0.000 0.342 275 M C -1.559 174.757 176.300 0.027 0.000 1.128 275 M CA -0.598 54.712 55.300 0.017 0.000 1.016 275 M CB 1.505 34.100 32.600 -0.007 0.000 1.665 275 M HN 0.559 nan 8.290 nan 0.000 0.445 276 L N 4.733 125.985 121.223 0.048 0.000 2.346 276 L HA 0.616 4.956 4.340 -0.000 0.000 0.276 276 L C -1.260 175.674 176.870 0.108 0.000 1.006 276 L CA -0.929 53.937 54.840 0.043 0.000 0.817 276 L CB 2.153 44.208 42.059 -0.006 0.000 1.272 276 L HN 0.534 nan 8.230 nan 0.000 0.421 277 L N 5.197 126.450 121.223 0.049 0.000 2.573 277 L HA 0.388 4.728 4.340 -0.000 0.000 0.260 277 L C -0.930 175.945 176.870 0.009 0.000 0.997 277 L CA 0.170 55.047 54.840 0.062 0.000 0.890 277 L CB 1.268 43.345 42.059 0.030 0.000 1.179 277 L HN 0.472 nan 8.230 nan 0.000 0.439 278 L N 3.135 124.344 121.223 -0.024 0.000 3.096 278 L HA 0.426 4.766 4.340 -0.000 0.000 0.272 278 L C 0.458 177.313 176.870 -0.027 0.000 1.311 278 L CA -0.353 54.467 54.840 -0.034 0.000 0.943 278 L CB 0.368 42.389 42.059 -0.064 0.000 1.348 278 L HN 0.536 nan 8.230 nan 0.000 0.562 279 S N -1.714 113.986 115.700 -0.001 0.000 2.617 279 S HA 0.252 4.722 4.470 -0.000 0.000 0.269 279 S C 0.897 175.505 174.600 0.015 0.000 1.292 279 S CA -0.751 57.453 58.200 0.007 0.000 1.010 279 S CB 1.590 64.805 63.200 0.026 0.000 0.944 279 S HN 0.365 nan 8.310 nan 0.000 0.536 280 E N 0.843 121.052 120.200 0.016 0.000 2.268 280 E HA -0.014 4.336 4.350 -0.000 0.000 0.195 280 E C -0.027 176.593 176.600 0.033 0.000 0.995 280 E CA 0.765 57.178 56.400 0.022 0.000 0.836 280 E CB 0.006 29.718 29.700 0.021 0.000 0.763 280 E HN 0.510 nan 8.360 nan 0.000 0.491 281 K N 0.223 120.648 120.400 0.040 0.000 2.568 281 K HA 0.451 4.771 4.320 -0.000 0.000 0.273 281 K C -1.163 175.475 176.600 0.064 0.000 0.951 281 K CA -0.672 55.646 56.287 0.052 0.000 0.854 281 K CB 2.565 35.096 32.500 0.053 0.000 1.424 281 K HN -0.121 nan 8.250 nan 0.000 0.427 282 E N -0.334 119.913 120.200 0.079 0.000 2.401 282 E HA 0.215 4.565 4.350 -0.000 0.000 0.283 282 E C -1.124 175.553 176.600 0.129 0.000 1.053 282 E CA -0.265 56.194 56.400 0.098 0.000 0.842 282 E CB 1.318 31.066 29.700 0.080 0.000 1.222 282 E HN 0.409 nan 8.360 nan 0.000 0.429 283 S N 2.828 118.626 115.700 0.164 0.000 2.502 283 S HA 0.303 4.773 4.470 -0.000 0.000 0.215 283 S C 0.715 175.512 174.600 0.328 0.000 1.009 283 S CA 0.025 58.335 58.200 0.183 0.000 0.908 283 S CB 0.182 63.465 63.200 0.137 0.000 0.801 283 S HN 0.506 nan 8.310 nan 0.000 0.505 284 F N 0.727 120.713 119.950 0.061 0.000 2.083 284 F HA 0.444 4.971 4.527 -0.000 0.000 0.259 284 F C 0.788 176.579 175.800 -0.014 0.000 0.953 284 F CA -0.205 57.821 58.000 0.043 0.000 1.156 284 F CB 0.407 39.439 39.000 0.053 0.000 1.297 284 F HN 0.256 nan 8.300 nan 0.000 0.733 285 G N 0.200 108.829 108.800 -0.284 0.000 2.537 285 G HA2 0.447 4.407 3.960 -0.000 0.000 0.308 285 G HA3 0.447 4.407 3.960 -0.000 0.000 0.308 285 G C -0.284 174.387 174.900 -0.382 0.000 1.237 285 G CA -0.560 44.489 45.100 -0.085 0.000 0.968 285 G HN 0.106 nan 8.290 nan 0.000 0.481 286 L N 1.554 122.623 121.223 -0.258 0.000 2.131 286 L HA -0.047 4.293 4.340 -0.000 0.000 0.210 286 L C 3.080 179.771 176.870 -0.299 0.000 1.092 286 L CA 1.435 56.067 54.840 -0.347 0.000 0.759 286 L CB -1.058 40.866 42.059 -0.226 0.000 0.903 286 L HN 0.526 nan 8.230 nan 0.000 0.435 287 V N -1.296 118.497 119.914 -0.201 0.000 2.660 287 V HA -0.270 3.850 4.120 -0.000 0.000 0.257 287 V C 2.224 178.197 176.094 -0.201 0.000 1.088 287 V CA 1.635 63.832 62.300 -0.172 0.000 1.106 287 V CB -0.499 31.247 31.823 -0.129 0.000 0.686 287 V HN 0.474 nan 8.190 nan 0.000 0.481 288 L N -1.160 119.911 121.223 -0.253 0.000 2.046 288 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 288 L C 2.606 179.319 176.870 -0.261 0.000 1.077 288 L CA 1.693 56.390 54.840 -0.239 0.000 0.747 288 L CB -0.523 41.366 42.059 -0.283 0.000 0.896 288 L HN 0.354 nan 8.230 nan 0.000 0.432 289 L N -0.172 120.826 121.223 -0.375 0.000 1.994 289 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 289 L C 2.511 179.210 176.870 -0.285 0.000 1.071 289 L CA 1.725 56.358 54.840 -0.344 0.000 0.745 289 L CB -0.672 41.133 42.059 -0.422 0.000 0.892 289 L HN 0.217 nan 8.230 nan 0.000 0.431 290 E N -0.582 119.398 120.200 -0.367 0.000 2.065 290 E HA -0.347 4.003 4.350 -0.000 0.000 0.201 290 E C 2.189 178.714 176.600 -0.125 0.000 1.016 290 E CA 1.447 57.570 56.400 -0.461 0.000 0.818 290 E CB -0.479 28.994 29.700 -0.379 0.000 0.749 290 E HN 0.552 nan 8.360 nan 0.000 0.453 291 A N 1.498 124.268 122.820 -0.085 0.000 1.859 291 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 291 A C 2.281 179.854 177.584 -0.017 0.000 1.198 291 A CA 2.168 54.188 52.037 -0.028 0.000 0.629 291 A CB -0.706 18.263 19.000 -0.051 0.000 0.830 291 A HN 0.161 nan 8.150 nan 0.000 0.446 292 M N -0.826 118.743 119.600 -0.050 0.000 2.065 292 M HA -0.198 4.282 4.480 -0.000 0.000 0.259 292 M C 2.541 178.852 176.300 0.017 0.000 1.071 292 M CA 1.610 56.897 55.300 -0.023 0.000 1.109 292 M CB -0.626 31.954 32.600 -0.033 0.000 1.313 292 M HN 0.499 nan 8.290 nan 0.000 0.408 293 A N -0.699 122.128 122.820 0.012 0.000 2.067 293 A HA -0.244 4.076 4.320 -0.000 0.000 0.224 293 A C 1.928 179.584 177.584 0.119 0.000 1.172 293 A CA 1.839 53.920 52.037 0.074 0.000 0.662 293 A CB -1.252 17.773 19.000 0.041 0.000 0.814 293 A HN 0.683 nan 8.150 nan 0.000 0.468 294 C N -1.117 118.243 119.300 0.099 0.000 2.614 294 C HA 0.500 4.960 4.460 -0.000 0.000 0.299 294 C C 1.819 176.855 174.990 0.076 0.000 1.293 294 C CA 0.027 59.105 59.018 0.102 0.000 1.713 294 C CB -1.361 26.428 27.740 0.081 0.000 1.890 294 C HN 1.171 nan 8.230 nan 0.000 0.602 295 G N 0.867 109.705 108.800 0.064 0.000 2.143 295 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.248 295 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.248 295 G C -0.013 174.898 174.900 0.019 0.000 0.991 295 G CA 0.416 45.543 45.100 0.045 0.000 0.689 295 G HN 0.452 nan 8.290 nan 0.000 0.522 296 V N 2.765 122.685 119.914 0.011 0.000 2.333 296 V HA 0.432 4.552 4.120 -0.000 0.000 0.274 296 V C -1.163 174.903 176.094 -0.046 0.000 1.028 296 V CA -1.592 60.705 62.300 -0.006 0.000 0.851 296 V CB 1.478 33.309 31.823 0.015 0.000 1.000 296 V HN 0.255 nan 8.190 nan 0.000 0.456 297 P HA 0.175 nan 4.420 nan 0.000 0.269 297 P C -0.636 176.634 177.300 -0.051 0.000 1.209 297 P CA -0.091 62.941 63.100 -0.112 0.000 0.776 297 P CB 0.918 32.501 31.700 -0.196 0.000 0.876 298 C N 3.001 122.271 119.300 -0.050 0.000 2.614 298 C HA 0.596 5.056 4.460 -0.000 0.000 0.320 298 C C 0.566 175.559 174.990 0.005 0.000 1.200 298 C CA -0.536 58.468 59.018 -0.022 0.000 1.700 298 C CB 0.979 28.692 27.740 -0.045 0.000 2.275 298 C HN 0.466 nan 8.230 nan 0.000 0.492 299 I N 2.352 122.938 120.570 0.026 0.000 2.537 299 I HA 0.448 4.617 4.170 -0.000 0.000 0.276 299 I C 0.502 176.625 176.117 0.009 0.000 1.063 299 I CA 0.330 61.654 61.300 0.041 0.000 1.144 299 I CB 0.740 38.773 38.000 0.056 0.000 1.252 299 I HN 0.856 nan 8.210 nan 0.000 0.480 300 G N 2.943 111.739 108.800 -0.006 0.000 2.420 300 G HA2 0.557 4.517 3.960 -0.000 0.000 0.331 300 G HA3 0.557 4.517 3.960 -0.000 0.000 0.331 300 G C 0.006 174.907 174.900 0.001 0.000 1.168 300 G CA -0.429 44.668 45.100 -0.005 0.000 0.936 300 G HN 0.449 nan 8.290 nan 0.000 0.479 301 T N -1.221 113.336 114.554 0.006 0.000 2.932 301 T HA 0.131 4.481 4.350 -0.000 0.000 0.312 301 T C 0.740 175.456 174.700 0.027 0.000 1.071 301 T CA -0.410 61.698 62.100 0.014 0.000 1.128 301 T CB 1.046 69.921 68.868 0.012 0.000 0.984 301 T HN 0.573 nan 8.240 nan 0.000 0.549 302 R N 1.806 122.328 120.500 0.036 0.000 3.268 302 R HA 0.396 4.736 4.340 -0.000 0.000 0.217 302 R C -1.246 175.085 176.300 0.050 0.000 1.568 302 R CA -0.257 55.873 56.100 0.049 0.000 1.322 302 R CB -0.697 29.639 30.300 0.060 0.000 1.280 302 R HN 0.553 nan 8.270 nan 0.000 0.667 303 V N 2.279 122.225 119.914 0.053 0.000 2.588 303 V HA 0.338 4.458 4.120 -0.000 0.000 0.304 303 V C 0.706 176.845 176.094 0.076 0.000 1.042 303 V CA -1.058 61.277 62.300 0.058 0.000 0.877 303 V CB 1.850 33.703 31.823 0.051 0.000 0.996 303 V HN 0.777 nan 8.190 nan 0.000 0.425 304 G N 2.759 111.606 108.800 0.079 0.000 2.641 304 G HA2 0.291 4.251 3.960 -0.000 0.000 0.293 304 G HA3 0.291 4.251 3.960 -0.000 0.000 0.293 304 G C 1.184 176.161 174.900 0.128 0.000 0.541 304 G CA 1.126 46.285 45.100 0.097 0.000 1.196 304 G HN 1.993 nan 8.290 nan 0.000 0.237 305 G N 1.677 110.574 108.800 0.163 0.000 2.284 305 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.201 305 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.201 305 G C 1.120 176.155 174.900 0.225 0.000 0.998 305 G CA 0.298 45.537 45.100 0.231 0.000 0.651 305 G HN 0.510 nan 8.290 nan 0.000 0.489 306 I N 1.454 122.104 120.570 0.134 0.000 2.429 306 I HA 0.058 4.228 4.170 -0.000 0.000 0.247 306 I C -0.246 175.921 176.117 0.082 0.000 1.099 306 I CA 1.002 62.346 61.300 0.072 0.000 1.422 306 I CB -1.662 36.363 38.000 0.041 0.000 1.112 306 I HN 0.008 nan 8.210 nan 0.000 0.430 307 P HA -0.157 nan 4.420 nan 0.000 0.222 307 P C 1.025 178.397 177.300 0.120 0.000 1.142 307 P CA 1.323 64.481 63.100 0.096 0.000 0.788 307 P CB -0.070 31.687 31.700 0.095 0.000 0.767 308 E N -1.211 119.095 120.200 0.177 0.000 2.478 308 E HA -0.017 4.333 4.350 -0.000 0.000 0.194 308 E C 1.493 178.217 176.600 0.208 0.000 1.045 308 E CA 0.595 57.126 56.400 0.218 0.000 0.868 308 E CB 0.002 29.925 29.700 0.372 0.000 0.885 308 E HN 0.280 nan 8.360 nan 0.000 0.505 309 V N -2.369 117.643 119.914 0.163 0.000 3.359 309 V HA 0.265 4.385 4.120 -0.000 0.000 0.245 309 V C 0.865 177.007 176.094 0.080 0.000 1.247 309 V CA -0.102 62.292 62.300 0.157 0.000 1.145 309 V CB 0.270 32.041 31.823 -0.087 0.000 0.906 309 V HN -0.023 nan 8.190 nan 0.000 0.464 310 I N 3.521 124.109 120.570 0.031 0.000 2.312 310 I HA 0.365 4.535 4.170 -0.000 0.000 0.290 310 I C -0.380 175.743 176.117 0.010 0.000 1.008 310 I CA -0.259 61.037 61.300 -0.007 0.000 1.226 310 I CB 1.537 39.514 38.000 -0.037 0.000 1.371 310 I HN 0.482 nan 8.210 nan 0.000 0.468 311 Q N 6.168 125.967 119.800 -0.002 0.000 2.400 311 Q HA 0.296 4.636 4.340 -0.000 0.000 0.255 311 Q C -0.246 175.767 176.000 0.022 0.000 1.008 311 Q CA -0.728 55.089 55.803 0.023 0.000 0.841 311 Q CB 1.053 29.799 28.738 0.013 0.000 1.220 311 Q HN 0.627 nan 8.270 nan 0.000 0.474 312 H N 2.401 121.435 119.070 -0.060 0.000 3.216 312 H HA 0.011 4.567 4.556 -0.000 0.000 0.283 312 H C 1.282 176.521 175.328 -0.149 0.000 0.921 312 H CA 1.595 57.592 56.048 -0.086 0.000 1.419 312 H CB 0.164 29.936 29.762 0.016 0.000 1.460 312 H HN 1.072 nan 8.280 nan 0.000 0.553 313 G N 3.882 112.660 108.800 -0.036 0.000 2.253 313 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.251 313 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.251 313 G C 0.992 175.821 174.900 -0.119 0.000 0.998 313 G CA 0.635 45.710 45.100 -0.043 0.000 0.621 313 G HN 0.655 nan 8.290 nan 0.000 0.524 314 D N -0.105 120.232 120.400 -0.104 0.000 2.490 314 D HA 0.128 4.768 4.640 -0.000 0.000 0.244 314 D C 2.421 178.650 176.300 -0.118 0.000 0.979 314 D CA 2.280 56.231 54.000 -0.081 0.000 0.924 314 D CB 0.033 40.809 40.800 -0.040 0.000 1.075 314 D HN 0.623 nan 8.370 nan 0.000 0.488 315 T N -2.997 111.472 114.554 -0.142 0.000 3.111 315 T HA 0.609 4.959 4.350 -0.000 0.000 0.284 315 T C 0.690 175.273 174.700 -0.195 0.000 0.983 315 T CA 0.155 62.176 62.100 -0.131 0.000 0.900 315 T CB 1.286 70.118 68.868 -0.060 0.000 1.132 315 T HN 0.215 nan 8.240 nan 0.000 0.531 316 G N 0.049 108.641 108.800 -0.345 0.000 2.333 316 G HA2 0.460 4.420 3.960 -0.000 0.000 0.288 316 G HA3 0.460 4.420 3.960 -0.000 0.000 0.288 316 G C -2.402 172.078 174.900 -0.701 0.000 1.286 316 G CA -1.000 43.853 45.100 -0.411 0.000 0.865 316 G HN 0.194 nan 8.290 nan 0.000 0.506 317 Y N -0.966 119.190 120.300 -0.239 0.000 2.553 317 Y HA 0.783 5.333 4.550 -0.000 0.000 0.347 317 Y C 0.402 176.075 175.900 -0.378 0.000 1.019 317 Y CA -0.927 56.843 58.100 -0.549 0.000 1.032 317 Y CB 2.290 40.476 38.460 -0.457 0.000 1.284 317 Y HN 0.496 nan 8.280 nan 0.000 0.466 318 L N 1.840 122.904 121.223 -0.266 0.000 2.260 318 L HA 0.894 5.234 4.340 -0.000 0.000 0.265 318 L C -0.822 176.053 176.870 0.008 0.000 1.015 318 L CA -1.005 53.807 54.840 -0.047 0.000 0.826 318 L CB 2.212 44.291 42.059 0.035 0.000 1.373 318 L HN 0.922 nan 8.230 nan 0.000 0.450 319 C N -2.011 117.310 119.300 0.035 0.000 3.068 319 C HA 0.356 4.816 4.460 -0.000 0.000 0.344 319 C C -0.746 174.263 174.990 0.032 0.000 1.223 319 C CA -1.184 57.859 59.018 0.042 0.000 1.153 319 C CB 0.829 28.581 27.740 0.020 0.000 1.396 319 C HN 0.765 nan 8.230 nan 0.000 0.485 320 E N 1.073 121.292 120.200 0.031 0.000 2.418 320 E HA 0.388 4.737 4.350 -0.000 0.000 0.261 320 E C 0.651 177.259 176.600 0.013 0.000 1.070 320 E CA -0.034 56.380 56.400 0.024 0.000 0.931 320 E CB 0.604 30.317 29.700 0.023 0.000 0.954 320 E HN 1.417 nan 8.360 nan 0.000 0.439 321 V N 0.143 120.064 119.914 0.012 0.000 2.637 321 V HA 0.512 4.632 4.120 -0.000 0.000 0.296 321 V C 1.278 177.372 176.094 -0.000 0.000 1.046 321 V CA 0.298 62.601 62.300 0.004 0.000 1.066 321 V CB 0.510 32.337 31.823 0.007 0.000 0.968 321 V HN 0.844 nan 8.190 nan 0.000 0.483 322 G N 2.511 111.306 108.800 -0.009 0.000 2.199 322 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.254 322 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.254 322 G C 0.382 175.276 174.900 -0.010 0.000 0.982 322 G CA 0.309 45.403 45.100 -0.010 0.000 0.632 322 G HN 0.991 nan 8.290 nan 0.000 0.529 323 D N 2.093 122.488 120.400 -0.008 0.000 2.885 323 D HA 0.227 4.867 4.640 -0.000 0.000 0.234 323 D C 2.252 178.543 176.300 -0.014 0.000 1.129 323 D CA 0.922 54.918 54.000 -0.008 0.000 0.991 323 D CB -0.331 40.468 40.800 -0.002 0.000 1.137 323 D HN 0.510 nan 8.370 nan 0.000 0.459 324 T N -2.184 112.360 114.554 -0.017 0.000 2.653 324 T HA -0.295 4.055 4.350 -0.000 0.000 0.268 324 T C 1.954 176.643 174.700 -0.020 0.000 1.035 324 T CA 2.258 64.347 62.100 -0.019 0.000 1.154 324 T CB -0.731 68.126 68.868 -0.017 0.000 0.862 324 T HN 0.300 nan 8.240 nan 0.000 0.441 325 T N 0.195 114.738 114.554 -0.019 0.000 2.652 325 T HA 0.029 4.379 4.350 -0.000 0.000 0.267 325 T C 2.363 177.048 174.700 -0.026 0.000 1.039 325 T CA 1.387 63.474 62.100 -0.022 0.000 1.153 325 T CB -1.551 67.306 68.868 -0.018 0.000 0.863 325 T HN 0.536 nan 8.240 nan 0.000 0.428 326 G N 1.070 109.857 108.800 -0.022 0.000 2.442 326 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.219 326 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.219 326 G C 1.674 176.550 174.900 -0.041 0.000 1.141 326 G CA 1.044 46.129 45.100 -0.026 0.000 0.763 326 G HN 0.503 nan 8.290 nan 0.000 0.554 327 V N 1.516 121.409 119.914 -0.034 0.000 2.307 327 V HA -0.116 4.004 4.120 -0.000 0.000 0.245 327 V C 3.322 179.389 176.094 -0.045 0.000 1.045 327 V CA 1.976 64.252 62.300 -0.039 0.000 1.024 327 V CB -1.032 30.776 31.823 -0.026 0.000 0.651 327 V HN 0.476 nan 8.190 nan 0.000 0.449 328 A N 0.277 123.076 122.820 -0.036 0.000 1.883 328 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 328 A C 2.009 179.561 177.584 -0.053 0.000 1.186 328 A CA 2.184 54.199 52.037 -0.038 0.000 0.624 328 A CB -0.748 18.228 19.000 -0.040 0.000 0.822 328 A HN 0.570 nan 8.150 nan 0.000 0.444 329 D N -0.919 119.446 120.400 -0.058 0.000 2.104 329 D HA -0.193 4.447 4.640 -0.000 0.000 0.194 329 D C 2.058 178.298 176.300 -0.101 0.000 0.994 329 D CA 1.900 55.860 54.000 -0.067 0.000 0.830 329 D CB -0.486 40.279 40.800 -0.057 0.000 0.959 329 D HN 0.563 nan 8.370 nan 0.000 0.452 330 Q N 0.827 120.543 119.800 -0.139 0.000 2.124 330 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 330 Q C 1.825 177.685 176.000 -0.234 0.000 0.977 330 Q CA 1.789 57.432 55.803 -0.268 0.000 0.850 330 Q CB -0.317 28.225 28.738 -0.327 0.000 0.901 330 Q HN 0.228 nan 8.270 nan 0.000 0.429 331 A N 0.323 123.074 122.820 -0.114 0.000 1.840 331 A HA -0.104 4.216 4.320 -0.000 0.000 0.214 331 A C 2.002 179.574 177.584 -0.019 0.000 1.198 331 A CA 1.513 53.527 52.037 -0.038 0.000 0.608 331 A CB -0.999 18.001 19.000 0.001 0.000 0.839 331 A HN 0.570 nan 8.150 nan 0.000 0.443 332 I N -1.418 119.132 120.570 -0.034 0.000 2.185 332 I HA -0.330 3.840 4.170 -0.000 0.000 0.246 332 I C 2.243 178.348 176.117 -0.021 0.000 1.088 332 I CA 2.471 63.754 61.300 -0.029 0.000 1.347 332 I CB -0.937 37.037 38.000 -0.044 0.000 1.041 332 I HN 0.418 nan 8.210 nan 0.000 0.415 333 Q N 1.271 121.047 119.800 -0.040 0.000 2.020 333 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 333 Q C 2.288 178.294 176.000 0.010 0.000 0.982 333 Q CA 2.346 58.131 55.803 -0.029 0.000 0.838 333 Q CB -0.529 28.169 28.738 -0.066 0.000 0.899 333 Q HN 0.620 nan 8.270 nan 0.000 0.423 334 L N 0.661 121.896 121.223 0.020 0.000 2.201 334 L HA -0.046 4.294 4.340 -0.000 0.000 0.212 334 L C 2.218 179.190 176.870 0.170 0.000 1.105 334 L CA 1.178 56.091 54.840 0.123 0.000 0.775 334 L CB -0.425 41.743 42.059 0.181 0.000 0.913 334 L HN 0.226 nan 8.230 nan 0.000 0.440 335 L N -0.549 120.737 121.223 0.105 0.000 2.156 335 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 335 L C 2.516 179.390 176.870 0.006 0.000 1.095 335 L CA 1.461 56.341 54.840 0.067 0.000 0.770 335 L CB -0.528 41.555 42.059 0.039 0.000 0.914 335 L HN 0.390 nan 8.230 nan 0.000 0.439 336 K N -1.174 119.235 120.400 0.015 0.000 2.078 336 K HA -0.024 4.296 4.320 -0.000 0.000 0.203 336 K C 0.713 177.323 176.600 0.017 0.000 1.043 336 K CA 0.101 56.389 56.287 0.002 0.000 0.960 336 K CB -0.467 32.033 32.500 0.000 0.000 0.761 336 K HN -0.010 nan 8.250 nan 0.000 0.448 337 D N 2.665 123.089 120.400 0.040 0.000 2.451 337 D HA -0.091 4.549 4.640 -0.000 0.000 0.254 337 D C 0.277 176.622 176.300 0.075 0.000 1.204 337 D CA 0.496 54.529 54.000 0.055 0.000 0.896 337 D CB 0.990 41.832 40.800 0.070 0.000 1.136 337 D HN 0.366 nan 8.370 nan 0.000 0.499 338 E N 3.044 123.276 120.200 0.053 0.000 2.452 338 E HA -0.063 4.287 4.350 -0.000 0.000 0.197 338 E C 0.894 177.548 176.600 0.089 0.000 1.022 338 E CA -0.058 56.374 56.400 0.053 0.000 0.890 338 E CB 0.433 30.139 29.700 0.009 0.000 0.918 338 E HN 0.404 nan 8.360 nan 0.000 0.496 339 E N 0.839 121.085 120.200 0.077 0.000 2.016 339 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 339 E C 2.138 178.792 176.600 0.091 0.000 0.985 339 E CA 0.585 57.028 56.400 0.071 0.000 0.802 339 E CB -0.370 29.362 29.700 0.053 0.000 0.762 339 E HN 0.248 nan 8.360 nan 0.000 0.448 340 L N 1.536 122.820 121.223 0.102 0.000 2.043 340 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 340 L C 2.434 179.378 176.870 0.124 0.000 1.075 340 L CA 1.928 56.834 54.840 0.110 0.000 0.752 340 L CB -0.724 41.415 42.059 0.133 0.000 0.891 340 L HN 0.259 nan 8.230 nan 0.000 0.432 341 H N -0.528 118.580 119.070 0.064 0.000 2.423 341 H HA -0.051 4.505 4.556 -0.000 0.000 0.297 341 H C 2.087 177.441 175.328 0.043 0.000 1.075 341 H CA 1.206 57.290 56.048 0.060 0.000 1.342 341 H CB 0.316 30.111 29.762 0.056 0.000 1.395 341 H HN 0.268 nan 8.280 nan 0.000 0.530 342 R N 0.472 121.096 120.500 0.206 0.000 2.119 342 R HA -0.040 4.300 4.340 -0.000 0.000 0.222 342 R C 1.834 178.171 176.300 0.061 0.000 1.088 342 R CA 0.486 56.669 56.100 0.139 0.000 0.984 342 R CB -0.207 30.155 30.300 0.104 0.000 0.884 342 R HN 0.430 nan 8.270 nan 0.000 0.447 343 N N 0.824 119.552 118.700 0.046 0.000 2.109 343 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 343 N C 1.779 177.282 175.510 -0.012 0.000 1.034 343 N CA 1.075 54.136 53.050 0.019 0.000 0.846 343 N CB -0.315 38.187 38.487 0.025 0.000 1.010 343 N HN 0.111 nan 8.380 nan 0.000 0.425 344 M N 0.716 120.293 119.600 -0.037 0.000 2.065 344 M HA -0.099 4.381 4.480 -0.000 0.000 0.259 344 M C 1.929 178.170 176.300 -0.097 0.000 1.069 344 M CA 2.112 57.358 55.300 -0.090 0.000 1.110 344 M CB -0.624 31.898 32.600 -0.131 0.000 1.328 344 M HN 0.201 nan 8.290 nan 0.000 0.405 345 G N -0.877 107.847 108.800 -0.127 0.000 2.485 345 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.221 345 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.221 345 G C 1.290 176.177 174.900 -0.023 0.000 1.115 345 G CA 1.429 46.474 45.100 -0.093 0.000 0.751 345 G HN 0.492 nan 8.290 nan 0.000 0.567 346 E N 0.260 120.455 120.200 -0.009 0.000 2.060 346 E HA 0.063 4.413 4.350 -0.000 0.000 0.189 346 E C 2.686 179.289 176.600 0.006 0.000 0.974 346 E CA 0.249 56.655 56.400 0.010 0.000 0.808 346 E CB -0.190 29.519 29.700 0.015 0.000 0.768 346 E HN 0.061 nan 8.360 nan 0.000 0.453 347 R N 0.604 121.100 120.500 -0.008 0.000 2.094 347 R HA -0.135 4.205 4.340 -0.000 0.000 0.239 347 R C 2.170 178.469 176.300 -0.002 0.000 1.137 347 R CA 1.464 57.558 56.100 -0.010 0.000 0.943 347 R CB -1.244 29.039 30.300 -0.028 0.000 0.850 347 R HN 0.291 nan 8.270 nan 0.000 0.433 348 A N 2.095 124.906 122.820 -0.016 0.000 1.849 348 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 348 A C 2.059 179.665 177.584 0.038 0.000 1.202 348 A CA 2.204 54.239 52.037 -0.004 0.000 0.629 348 A CB -0.674 18.306 19.000 -0.033 0.000 0.834 348 A HN 0.525 nan 8.150 nan 0.000 0.447 349 R N -0.205 120.321 120.500 0.044 0.000 2.377 349 R HA -0.047 4.293 4.340 -0.000 0.000 0.207 349 R C 1.329 177.697 176.300 0.114 0.000 1.075 349 R CA 1.484 57.635 56.100 0.084 0.000 1.035 349 R CB -0.328 30.022 30.300 0.083 0.000 0.857 349 R HN 0.683 nan 8.270 nan 0.000 0.475 350 E N 1.210 121.462 120.200 0.086 0.000 2.079 350 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 350 E C 1.964 178.638 176.600 0.123 0.000 0.961 350 E CA 1.029 57.489 56.400 0.100 0.000 0.823 350 E CB 0.136 29.866 29.700 0.049 0.000 0.789 350 E HN 0.453 nan 8.360 nan 0.000 0.459 351 S N 0.748 116.489 115.700 0.069 0.000 2.440 351 S HA -0.104 4.366 4.470 -0.000 0.000 0.238 351 S C 2.086 176.713 174.600 0.045 0.000 1.010 351 S CA 0.752 58.969 58.200 0.029 0.000 0.972 351 S CB -0.321 62.881 63.200 0.004 0.000 0.774 351 S HN -0.015 nan 8.310 nan 0.000 0.501 352 V N 0.648 120.652 119.914 0.150 0.000 2.283 352 V HA -0.074 4.046 4.120 -0.000 0.000 0.243 352 V C 2.171 178.387 176.094 0.202 0.000 1.039 352 V CA 1.827 64.287 62.300 0.267 0.000 1.016 352 V CB -0.967 30.987 31.823 0.218 0.000 0.650 352 V HN 0.657 nan 8.190 nan 0.000 0.449 353 Y N 0.872 121.228 120.300 0.095 0.000 2.256 353 Y HA -0.215 4.335 4.550 -0.000 0.000 0.288 353 Y C 2.547 178.468 175.900 0.034 0.000 1.155 353 Y CA 1.824 59.971 58.100 0.079 0.000 1.203 353 Y CB -0.011 38.486 38.460 0.062 0.000 0.980 353 Y HN 0.245 nan 8.280 nan 0.000 0.530 354 E N 0.348 120.578 120.200 0.050 0.000 2.017 354 E HA -0.246 4.103 4.350 -0.000 0.000 0.193 354 E C 1.924 178.408 176.600 -0.194 0.000 0.997 354 E CA 2.174 58.547 56.400 -0.045 0.000 0.804 354 E CB -0.314 29.368 29.700 -0.030 0.000 0.757 354 E HN 0.852 nan 8.360 nan 0.000 0.448 355 Q N -1.878 117.712 119.800 -0.349 0.000 2.246 355 Q HA 0.112 4.452 4.340 -0.000 0.000 0.222 355 Q C 0.608 176.242 176.000 -0.610 0.000 0.851 355 Q CA 0.049 55.531 55.803 -0.534 0.000 0.945 355 Q CB 0.349 28.628 28.738 -0.765 0.000 1.122 355 Q HN 0.094 nan 8.270 nan 0.000 0.508 356 F N 0.937 120.872 119.950 -0.025 0.000 2.724 356 F HA 0.367 4.894 4.527 -0.000 0.000 0.310 356 F C 0.336 176.159 175.800 0.038 0.000 1.107 356 F CA -1.186 56.844 58.000 0.050 0.000 1.218 356 F CB 0.578 39.614 39.000 0.060 0.000 1.042 356 F HN -0.068 nan 8.300 nan 0.000 0.540 357 R N 1.595 122.102 120.500 0.012 0.000 2.485 357 R HA -0.057 4.283 4.340 -0.000 0.000 0.304 357 R C 1.626 177.929 176.300 0.004 0.000 0.934 357 R CA 0.795 56.822 56.100 -0.122 0.000 1.102 357 R CB 0.422 30.470 30.300 -0.421 0.000 0.906 357 R HN 0.307 nan 8.270 nan 0.000 0.407 358 S N 3.524 119.272 115.700 0.080 0.000 2.359 358 S HA -0.285 4.185 4.470 -0.000 0.000 0.223 358 S C 1.402 175.893 174.600 -0.181 0.000 1.039 358 S CA 1.442 59.654 58.200 0.021 0.000 1.042 358 S CB -0.413 62.925 63.200 0.229 0.000 0.915 358 S HN 0.812 nan 8.310 nan 0.000 0.439 359 E N 1.577 121.730 120.200 -0.078 0.000 2.209 359 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 359 E C 2.026 178.570 176.600 -0.094 0.000 0.993 359 E CA 1.452 57.808 56.400 -0.073 0.000 0.819 359 E CB -0.370 29.322 29.700 -0.013 0.000 0.745 359 E HN 0.735 nan 8.360 nan 0.000 0.477 360 K N 0.328 120.663 120.400 -0.107 0.000 1.991 360 K HA -0.104 4.215 4.320 -0.000 0.000 0.207 360 K C 1.941 178.484 176.600 -0.095 0.000 1.045 360 K CA 1.274 57.505 56.287 -0.093 0.000 0.937 360 K CB -0.133 32.305 32.500 -0.103 0.000 0.720 360 K HN 0.108 nan 8.250 nan 0.000 0.438 361 I N 1.296 121.808 120.570 -0.098 0.000 2.163 361 I HA -0.262 3.908 4.170 -0.000 0.000 0.243 361 I C 2.241 178.275 176.117 -0.138 0.000 1.085 361 I CA 0.970 62.215 61.300 -0.092 0.000 1.347 361 I CB -0.454 37.568 38.000 0.036 0.000 1.044 361 I HN -0.005 nan 8.210 nan 0.000 0.408 362 V N -0.182 119.576 119.914 -0.260 0.000 2.380 362 V HA -0.313 3.807 4.120 -0.000 0.000 0.251 362 V C 2.464 178.533 176.094 -0.040 0.000 1.063 362 V CA 2.162 64.376 62.300 -0.145 0.000 1.055 362 V CB -0.836 30.862 31.823 -0.208 0.000 0.657 362 V HN 0.415 nan 8.190 nan 0.000 0.455 363 S N -0.861 114.804 115.700 -0.060 0.000 2.423 363 S HA -0.205 4.265 4.470 -0.000 0.000 0.231 363 S C 1.939 176.496 174.600 -0.070 0.000 1.014 363 S CA 1.179 59.361 58.200 -0.030 0.000 0.965 363 S CB -0.227 62.959 63.200 -0.023 0.000 0.785 363 S HN 0.695 nan 8.310 nan 0.000 0.495 364 Q N -0.245 119.476 119.800 -0.131 0.000 2.046 364 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 364 Q C 1.675 177.503 176.000 -0.286 0.000 0.975 364 Q CA 1.380 57.057 55.803 -0.209 0.000 0.836 364 Q CB -0.355 28.211 28.738 -0.287 0.000 0.896 364 Q HN 0.619 nan 8.270 nan 0.000 0.428 365 Y N 1.192 121.332 120.300 -0.266 0.000 2.224 365 Y HA -0.230 4.320 4.550 -0.000 0.000 0.289 365 Y C 2.460 177.834 175.900 -0.876 0.000 1.146 365 Y CA 1.201 58.992 58.100 -0.514 0.000 1.182 365 Y CB 0.094 38.347 38.460 -0.345 0.000 0.983 365 Y HN 0.211 nan 8.280 nan 0.000 0.524 366 E N -0.206 119.795 120.200 -0.332 0.000 2.077 366 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 366 E C 2.173 178.722 176.600 -0.085 0.000 0.989 366 E CA 2.030 58.300 56.400 -0.217 0.000 0.800 366 E CB -0.051 29.697 29.700 0.082 0.000 0.746 366 E HN 0.530 nan 8.360 nan 0.000 0.452 367 T N -1.060 113.476 114.554 -0.030 0.000 2.904 367 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 367 T C 1.957 176.647 174.700 -0.016 0.000 1.059 367 T CA 0.799 62.939 62.100 0.067 0.000 1.137 367 T CB -0.341 68.537 68.868 0.016 0.000 0.879 367 T HN 0.137 nan 8.240 nan 0.000 0.467 368 I N -0.118 120.348 120.570 -0.173 0.000 2.286 368 I HA -0.134 4.036 4.170 -0.000 0.000 0.248 368 I C 2.353 178.432 176.117 -0.062 0.000 1.115 368 I CA 1.399 62.605 61.300 -0.156 0.000 1.392 368 I CB -0.462 37.398 38.000 -0.233 0.000 1.065 368 I HN 0.180 nan 8.210 nan 0.000 0.418 369 Y N 0.131 120.358 120.300 -0.120 0.000 2.133 369 Y HA -0.232 4.318 4.550 -0.000 0.000 0.287 369 Y C 2.550 178.344 175.900 -0.177 0.000 1.134 369 Y CA 0.881 58.848 58.100 -0.221 0.000 1.133 369 Y CB -1.536 36.689 38.460 -0.392 0.000 0.987 369 Y HN 0.080 nan 8.280 nan 0.000 0.502 370 Y N 0.378 120.747 120.300 0.115 0.000 2.165 370 Y HA -0.226 4.324 4.550 -0.000 0.000 0.286 370 Y C 2.242 178.159 175.900 0.028 0.000 1.155 370 Y CA 1.449 59.586 58.100 0.061 0.000 1.164 370 Y CB -0.806 37.683 38.460 0.048 0.000 0.978 370 Y HN 0.110 nan 8.280 nan 0.000 0.513 371 D N -0.873 119.622 120.400 0.159 0.000 2.117 371 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 371 D C 2.159 178.487 176.300 0.047 0.000 0.987 371 D CA 0.949 54.995 54.000 0.076 0.000 0.829 371 D CB -0.460 40.358 40.800 0.030 0.000 0.961 371 D HN 0.157 nan 8.370 nan 0.000 0.460 372 V N 0.229 120.166 119.914 0.038 0.000 3.383 372 V HA -0.078 4.042 4.120 -0.000 0.000 0.272 372 V C 1.188 177.291 176.094 0.014 0.000 1.181 372 V CA 0.841 63.149 62.300 0.014 0.000 1.171 372 V CB -0.383 31.442 31.823 0.004 0.000 0.800 372 V HN 0.107 nan 8.190 nan 0.000 0.515 373 L N -0.505 120.741 121.223 0.039 0.000 3.635 373 L HA 0.694 5.034 4.340 -0.000 0.000 0.185 373 L C 0.758 177.654 176.870 0.043 0.000 1.293 373 L CA 0.289 55.151 54.840 0.037 0.000 1.200 373 L CB -0.286 41.804 42.059 0.052 0.000 1.655 373 L HN 0.120 nan 8.230 nan 0.000 0.762 374 R N 0.000 120.539 120.500 0.065 0.000 2.786 374 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 374 R CA 0.000 nan 56.100 nan 0.000 0.921 374 R CB 0.000 nan 30.300 nan 0.000 0.687 374 R HN 0.000 nan 8.270 nan 0.000 0.535