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 1dxx_1_D DATA FIRST_RESID 9 DATA SEQUENCE DSYEREDVQK KTFTKWVNAQ FSKFGKQHIE NLFSDLQDGR RLLDLLEGLT DATA SEQUENCE GQKLPKEKGS TRVHALNNVN KALRVLQNNN VDLVNIGSTD IVDGNHKLTL DATA SEQUENCE GLIWNIILHW QVKNVMKNIM AGLQQTNSEK ILLSWVRQST RNYPQVNVIN DATA SEQUENCE FTTSWSDGLA LNALIHSHRP DLFDWNSVVS QQSATQRLEH AFNIARYQLG DATA SEQUENCE IEKLLDPEDV DTTYPDKKSI LMYITSLFQV LPQQVSIE 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 9 D HA 0.000 nan 4.640 nan 0.000 0.175 9 D C 0.000 176.290 176.300 -0.017 0.000 2.045 9 D CA 0.000 53.992 54.000 -0.012 0.000 0.868 9 D CB 0.000 40.794 40.800 -0.009 0.000 0.688 10 S N -1.369 114.317 115.700 -0.023 0.000 2.433 10 S HA 0.390 4.858 4.470 -0.002 0.000 0.216 10 S C 1.950 176.525 174.600 -0.042 0.000 1.031 10 S CA 1.527 59.706 58.200 -0.034 0.000 0.931 10 S CB -0.332 62.844 63.200 -0.040 0.000 0.875 10 S HN 2.060 nan 8.310 nan 0.000 0.553 11 Y N 1.268 121.545 120.300 -0.039 0.000 3.038 11 Y HA -0.122 4.427 4.550 -0.002 0.000 0.176 11 Y C -0.179 175.682 175.900 -0.065 0.000 1.628 11 Y CA 0.214 58.288 58.100 -0.043 0.000 1.020 11 Y CB -2.885 35.553 38.460 -0.037 0.000 1.423 11 Y HN 0.356 nan 8.280 nan 0.000 0.418 12 E N 2.485 122.645 120.200 -0.067 0.000 2.035 12 E HA 0.366 4.714 4.350 -0.002 0.000 0.271 12 E C -0.244 176.310 176.600 -0.077 0.000 0.953 12 E CA -0.761 55.585 56.400 -0.090 0.000 0.777 12 E CB 0.830 30.483 29.700 -0.079 0.000 1.104 12 E HN 0.590 nan 8.360 nan 0.000 0.408 13 R N 2.823 123.265 120.500 -0.098 0.000 2.287 13 R HA 0.141 4.480 4.340 -0.002 0.000 0.327 13 R C 0.791 177.032 176.300 -0.099 0.000 1.109 13 R CA -0.136 55.914 56.100 -0.083 0.000 1.013 13 R CB 0.237 30.485 30.300 -0.087 0.000 1.126 13 R HN 0.537 nan 8.270 nan 0.000 0.503 14 E N 1.089 121.262 120.200 -0.045 0.000 2.204 14 E HA -0.203 4.145 4.350 -0.002 0.000 0.195 14 E C 0.976 177.579 176.600 0.006 0.000 0.990 14 E CA 1.452 57.853 56.400 0.002 0.000 0.821 14 E CB 0.317 30.082 29.700 0.109 0.000 0.750 14 E HN 0.559 nan 8.360 nan 0.000 0.477 15 D N 0.520 120.911 120.400 -0.015 0.000 2.123 15 D HA -0.120 4.519 4.640 -0.002 0.000 0.200 15 D C 2.027 178.280 176.300 -0.078 0.000 0.976 15 D CA 0.772 54.758 54.000 -0.023 0.000 0.831 15 D CB -0.495 40.292 40.800 -0.021 0.000 0.974 15 D HN 0.092 nan 8.370 nan 0.000 0.469 16 V N 1.001 120.852 119.914 -0.105 0.000 2.379 16 V HA -0.229 3.890 4.120 -0.002 0.000 0.245 16 V C 2.702 178.646 176.094 -0.250 0.000 1.044 16 V CA 1.710 63.929 62.300 -0.134 0.000 1.036 16 V CB -0.796 30.959 31.823 -0.113 0.000 0.664 16 V HN 0.140 nan 8.190 nan 0.000 0.453 17 Q N 0.018 119.575 119.800 -0.404 0.000 2.124 17 Q HA -0.247 4.091 4.340 -0.002 0.000 0.202 17 Q C 2.335 177.932 176.000 -0.671 0.000 0.977 17 Q CA 1.607 56.853 55.803 -0.927 0.000 0.850 17 Q CB -0.299 27.689 28.738 -1.250 0.000 0.901 17 Q HN 0.556 nan 8.270 nan 0.000 0.429 18 K N 1.253 121.477 120.400 -0.294 0.000 2.044 18 K HA -0.212 4.106 4.320 -0.002 0.000 0.210 18 K C 1.850 178.349 176.600 -0.167 0.000 1.049 18 K CA 1.401 57.550 56.287 -0.230 0.000 0.927 18 K CB 0.107 32.457 32.500 -0.251 0.000 0.713 18 K HN 0.076 nan 8.250 nan 0.000 0.443 19 K N -0.438 119.885 120.400 -0.128 0.000 2.007 19 K HA -0.091 4.228 4.320 -0.002 0.000 0.206 19 K C 2.301 178.911 176.600 0.017 0.000 1.047 19 K CA 1.912 58.166 56.287 -0.054 0.000 0.937 19 K CB -0.253 32.224 32.500 -0.039 0.000 0.718 19 K HN 0.399 nan 8.250 nan 0.000 0.438 20 T N -0.330 114.232 114.554 0.015 0.000 2.777 20 T HA -0.093 4.255 4.350 -0.002 0.000 0.266 20 T C 1.854 176.786 174.700 0.387 0.000 1.040 20 T CA 0.825 63.023 62.100 0.163 0.000 1.141 20 T CB -0.370 68.585 68.868 0.145 0.000 0.868 20 T HN -0.072 nan 8.240 nan 0.000 0.444 21 F N 2.523 122.541 119.950 0.113 0.000 2.171 21 F HA 0.008 4.534 4.527 -0.002 0.000 0.300 21 F C 2.855 178.739 175.800 0.140 0.000 1.090 21 F CA 0.575 58.669 58.000 0.156 0.000 1.293 21 F CB -1.835 37.240 39.000 0.127 0.000 1.013 21 F HN 0.225 nan 8.300 nan 0.000 0.486 22 T N 0.213 114.910 114.554 0.238 0.000 2.746 22 T HA -0.168 4.181 4.350 -0.002 0.000 0.267 22 T C 2.012 176.755 174.700 0.072 0.000 1.039 22 T CA 1.304 63.470 62.100 0.109 0.000 1.142 22 T CB -0.170 68.715 68.868 0.027 0.000 0.866 22 T HN 0.229 nan 8.240 nan 0.000 0.444 23 K N -0.136 120.325 120.400 0.101 0.000 2.063 23 K HA -0.149 4.170 4.320 -0.002 0.000 0.208 23 K C 2.064 178.698 176.600 0.057 0.000 1.048 23 K CA 1.430 57.753 56.287 0.059 0.000 0.928 23 K CB -0.274 32.277 32.500 0.085 0.000 0.713 23 K HN 0.402 nan 8.250 nan 0.000 0.442 24 W N 1.589 122.892 121.300 0.005 0.000 2.354 24 W HA -0.245 4.414 4.660 -0.003 0.000 0.315 24 W C 1.906 178.337 176.519 -0.147 0.000 1.206 24 W CA 1.312 58.636 57.345 -0.035 0.000 1.290 24 W CB -0.416 29.047 29.460 0.006 0.000 1.152 24 W HN -0.263 nan 8.180 nan 0.000 0.489 25 V N 1.506 121.476 119.914 0.093 0.000 2.287 25 V HA -0.386 3.733 4.120 -0.002 0.000 0.248 25 V C 2.178 177.935 176.094 -0.562 0.000 1.053 25 V CA 2.340 64.476 62.300 -0.275 0.000 1.027 25 V CB -1.121 30.629 31.823 -0.122 0.000 0.646 25 V HN 0.252 nan 8.190 nan 0.000 0.447 26 N N 0.350 118.826 118.700 -0.372 0.000 2.166 26 N HA -0.103 4.635 4.740 -0.002 0.000 0.186 26 N C 1.851 177.090 175.510 -0.453 0.000 1.019 26 N CA 1.575 54.297 53.050 -0.546 0.000 0.856 26 N CB -0.519 37.518 38.487 -0.750 0.000 0.993 26 N HN 0.498 nan 8.380 nan 0.000 0.426 27 A N 1.078 123.680 122.820 -0.364 0.000 1.972 27 A HA -0.155 4.163 4.320 -0.002 0.000 0.219 27 A C 2.054 179.428 177.584 -0.351 0.000 1.169 27 A CA 1.170 53.036 52.037 -0.286 0.000 0.635 27 A CB -0.239 18.595 19.000 -0.277 0.000 0.810 27 A HN 0.218 nan 8.150 nan 0.000 0.446 28 Q N -1.142 118.313 119.800 -0.575 0.000 2.137 28 Q HA -0.050 4.288 4.340 -0.002 0.000 0.198 28 Q C 1.804 177.667 176.000 -0.228 0.000 0.960 28 Q CA 0.948 56.434 55.803 -0.529 0.000 0.847 28 Q CB -0.638 27.615 28.738 -0.808 0.000 0.915 28 Q HN 0.652 nan 8.270 nan 0.000 0.448 29 F N 1.621 121.451 119.950 -0.200 0.000 2.134 29 F HA -0.121 4.405 4.527 -0.003 0.000 0.299 29 F C 2.578 178.382 175.800 0.007 0.000 1.097 29 F CA 0.710 58.667 58.000 -0.071 0.000 1.264 29 F CB -0.956 38.034 39.000 -0.015 0.000 1.001 29 F HN -0.032 nan 8.300 nan 0.000 0.479 30 S N -0.065 115.778 115.700 0.239 0.000 2.359 30 S HA -0.229 4.240 4.470 -0.002 0.000 0.223 30 S C 2.027 176.660 174.600 0.055 0.000 1.039 30 S CA 1.458 59.765 58.200 0.178 0.000 1.042 30 S CB -0.295 62.996 63.200 0.153 0.000 0.915 30 S HN 0.330 nan 8.310 nan 0.000 0.439 31 K N -0.151 120.242 120.400 -0.011 0.000 2.211 31 K HA -0.059 4.259 4.320 -0.002 0.000 0.204 31 K C 1.157 177.749 176.600 -0.013 0.000 1.047 31 K CA 1.215 57.481 56.287 -0.035 0.000 0.935 31 K CB -0.217 32.232 32.500 -0.085 0.000 0.728 31 K HN 0.391 nan 8.250 nan 0.000 0.452 32 F N 0.055 120.013 119.950 0.014 0.000 2.639 32 F HA 0.287 4.812 4.527 -0.002 0.000 0.302 32 F C 1.105 176.922 175.800 0.028 0.000 1.097 32 F CA -0.592 57.420 58.000 0.020 0.000 1.294 32 F CB -0.112 38.909 39.000 0.035 0.000 1.027 32 F HN 0.277 nan 8.300 nan 0.000 0.550 33 G N 1.646 110.465 108.800 0.032 0.000 2.325 33 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.274 33 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.274 33 G C -0.424 174.478 174.900 0.003 0.000 0.921 33 G CA 0.434 45.542 45.100 0.014 0.000 1.340 33 G HN 0.556 nan 8.290 nan 0.000 0.447 34 K N -0.110 120.308 120.400 0.030 0.000 2.482 34 K HA 0.464 4.783 4.320 -0.002 0.000 0.257 34 K C 0.429 176.979 176.600 -0.084 0.000 0.969 34 K CA -0.885 55.358 56.287 -0.073 0.000 0.842 34 K CB 1.748 34.174 32.500 -0.123 0.000 1.359 34 K HN 0.392 nan 8.250 nan 0.000 0.441 35 Q N 1.397 121.076 119.800 -0.201 0.000 2.428 35 Q HA -0.035 4.303 4.340 -0.002 0.000 0.276 35 Q C -0.667 175.339 176.000 0.010 0.000 1.059 35 Q CA 0.297 56.025 55.803 -0.125 0.000 0.923 35 Q CB 0.431 29.071 28.738 -0.163 0.000 1.283 35 Q HN 0.414 nan 8.270 nan 0.000 0.447 36 H N 1.548 120.595 119.070 -0.039 0.000 2.546 36 H HA 0.344 4.899 4.556 -0.002 0.000 0.365 36 H C -0.141 175.231 175.328 0.074 0.000 1.220 36 H CA -0.485 55.617 56.048 0.089 0.000 1.386 36 H CB 0.557 30.362 29.762 0.072 0.000 1.510 36 H HN 0.572 nan 8.280 nan 0.000 0.591 37 I N -1.324 119.388 120.570 0.236 0.000 2.822 37 I HA 0.392 4.560 4.170 -0.002 0.000 0.312 37 I C 0.380 176.565 176.117 0.113 0.000 1.011 37 I CA -0.736 60.657 61.300 0.155 0.000 1.105 37 I CB 1.828 39.943 38.000 0.190 0.000 1.291 37 I HN 0.353 nan 8.210 nan 0.000 0.474 38 E N 1.420 121.665 120.200 0.076 0.000 2.306 38 E HA 0.096 4.444 4.350 -0.002 0.000 0.201 38 E C -0.276 176.333 176.600 0.015 0.000 0.874 38 E CA 0.436 56.866 56.400 0.049 0.000 0.972 38 E CB 0.047 29.773 29.700 0.044 0.000 0.957 38 E HN 0.666 nan 8.360 nan 0.000 0.492 39 N N 1.322 120.031 118.700 0.015 0.000 2.446 39 N HA 0.093 4.831 4.740 -0.002 0.000 0.265 39 N C 0.282 175.778 175.510 -0.022 0.000 0.975 39 N CA -0.172 52.864 53.050 -0.024 0.000 0.928 39 N CB 1.484 39.971 38.487 0.000 0.000 1.160 39 N HN -0.049 nan 8.380 nan 0.000 0.495 40 L N 3.651 124.798 121.223 -0.128 0.000 2.275 40 L HA 0.159 4.498 4.340 -0.002 0.000 0.215 40 L C 0.767 177.675 176.870 0.063 0.000 1.119 40 L CA 1.519 56.308 54.840 -0.084 0.000 0.790 40 L CB -0.319 41.615 42.059 -0.209 0.000 0.919 40 L HN 0.495 nan 8.230 nan 0.000 0.443 41 F N -1.605 118.402 119.950 0.094 0.000 2.789 41 F HA 0.120 4.646 4.527 -0.002 0.000 0.300 41 F C 2.276 178.125 175.800 0.082 0.000 1.132 41 F CA 0.469 58.528 58.000 0.097 0.000 1.404 41 F CB -0.821 38.241 39.000 0.103 0.000 1.114 41 F HN 0.333 nan 8.300 nan 0.000 0.584 42 S N -2.657 113.172 115.700 0.216 0.000 2.691 42 S HA 0.063 4.532 4.470 -0.002 0.000 0.258 42 S C 1.085 175.756 174.600 0.118 0.000 1.078 42 S CA -0.159 58.133 58.200 0.152 0.000 1.000 42 S CB -0.105 63.166 63.200 0.119 0.000 0.942 42 S HN 0.021 nan 8.310 nan 0.000 0.521 43 D N 2.074 122.539 120.400 0.108 0.000 2.378 43 D HA 0.138 4.777 4.640 -0.002 0.000 0.222 43 D C 1.321 177.689 176.300 0.114 0.000 0.980 43 D CA 0.641 54.699 54.000 0.097 0.000 0.907 43 D CB -0.082 40.773 40.800 0.092 0.000 0.899 43 D HN 0.445 nan 8.370 nan 0.000 0.527 44 L N -0.287 121.016 121.223 0.134 0.000 2.640 44 L HA 0.135 4.474 4.340 -0.002 0.000 0.230 44 L C 2.014 178.953 176.870 0.115 0.000 1.123 44 L CA 0.034 54.955 54.840 0.136 0.000 0.900 44 L CB 0.122 42.276 42.059 0.158 0.000 1.146 44 L HN -0.135 nan 8.230 nan 0.000 0.484 45 Q N 0.863 120.727 119.800 0.108 0.000 2.170 45 Q HA -0.231 4.107 4.340 -0.002 0.000 0.203 45 Q C 1.402 177.447 176.000 0.075 0.000 0.976 45 Q CA 1.980 57.837 55.803 0.090 0.000 0.858 45 Q CB 0.092 28.883 28.738 0.087 0.000 0.907 45 Q HN 0.587 nan 8.270 nan 0.000 0.433 46 D N -2.357 118.086 120.400 0.071 0.000 2.349 46 D HA 0.046 4.684 4.640 -0.002 0.000 0.215 46 D C 1.118 177.458 176.300 0.066 0.000 1.016 46 D CA 0.893 54.931 54.000 0.064 0.000 0.870 46 D CB 0.192 41.023 40.800 0.052 0.000 0.917 46 D HN 0.271 nan 8.370 nan 0.000 0.524 47 G N 0.715 109.557 108.800 0.070 0.000 2.217 47 G HA2 -0.408 3.550 3.960 -0.002 0.000 0.246 47 G HA3 -0.408 3.550 3.960 -0.002 0.000 0.246 47 G C 1.340 176.278 174.900 0.065 0.000 0.990 47 G CA 0.314 45.456 45.100 0.069 0.000 0.627 47 G HN 0.421 nan 8.290 nan 0.000 0.522 48 R N -0.069 120.464 120.500 0.054 0.000 2.073 48 R HA 0.038 4.376 4.340 -0.002 0.000 0.234 48 R C 2.664 178.992 176.300 0.046 0.000 1.134 48 R CA 1.462 57.584 56.100 0.037 0.000 0.952 48 R CB -0.294 30.014 30.300 0.013 0.000 0.850 48 R HN 0.273 nan 8.270 nan 0.000 0.433 49 R N 1.072 121.614 120.500 0.070 0.000 2.096 49 R HA -0.050 4.288 4.340 -0.002 0.000 0.235 49 R C 2.351 178.794 176.300 0.238 0.000 1.127 49 R CA 1.061 57.247 56.100 0.143 0.000 0.968 49 R CB -0.937 29.465 30.300 0.171 0.000 0.861 49 R HN 0.285 nan 8.270 nan 0.000 0.440 50 L N 0.633 121.951 121.223 0.159 0.000 2.012 50 L HA -0.184 4.155 4.340 -0.002 0.000 0.210 50 L C 2.468 179.399 176.870 0.101 0.000 1.073 50 L CA 1.267 56.182 54.840 0.124 0.000 0.748 50 L CB -0.560 41.553 42.059 0.091 0.000 0.891 50 L HN 0.085 nan 8.230 nan 0.000 0.431 51 L N -0.654 120.618 121.223 0.082 0.000 2.013 51 L HA -0.290 4.049 4.340 -0.002 0.000 0.212 51 L C 2.303 179.215 176.870 0.070 0.000 1.073 51 L CA 1.378 56.254 54.840 0.060 0.000 0.753 51 L CB -0.857 41.229 42.059 0.045 0.000 0.890 51 L HN 0.317 nan 8.230 nan 0.000 0.432 52 D N 0.092 120.548 120.400 0.094 0.000 2.149 52 D HA -0.192 4.446 4.640 -0.002 0.000 0.198 52 D C 2.131 178.581 176.300 0.250 0.000 0.990 52 D CA 1.254 55.328 54.000 0.123 0.000 0.839 52 D CB -0.151 40.671 40.800 0.036 0.000 0.948 52 D HN 0.209 nan 8.370 nan 0.000 0.460 53 L N 0.587 122.006 121.223 0.327 0.000 2.093 53 L HA -0.081 4.257 4.340 -0.002 0.000 0.208 53 L C 2.140 178.958 176.870 -0.086 0.000 1.085 53 L CA 1.245 56.135 54.840 0.083 0.000 0.755 53 L CB -0.451 41.526 42.059 -0.137 0.000 0.904 53 L HN -0.027 nan 8.230 nan 0.000 0.435 54 L N -0.692 120.497 121.223 -0.057 0.000 2.141 54 L HA -0.173 4.165 4.340 -0.002 0.000 0.209 54 L C 2.491 179.322 176.870 -0.065 0.000 1.094 54 L CA 1.132 55.910 54.840 -0.105 0.000 0.763 54 L CB -0.428 41.615 42.059 -0.027 0.000 0.908 54 L HN 0.373 nan 8.230 nan 0.000 0.437 55 E N -0.149 120.043 120.200 -0.014 0.000 2.023 55 E HA -0.215 4.133 4.350 -0.002 0.000 0.196 55 E C 2.165 178.749 176.600 -0.026 0.000 1.003 55 E CA 1.263 57.661 56.400 -0.004 0.000 0.809 55 E CB -0.416 29.292 29.700 0.014 0.000 0.755 55 E HN 0.549 nan 8.360 nan 0.000 0.449 56 G N 0.980 109.757 108.800 -0.037 0.000 2.450 56 G HA2 -0.231 3.727 3.960 -0.002 0.000 0.220 56 G HA3 -0.231 3.727 3.960 -0.002 0.000 0.220 56 G C 1.564 176.392 174.900 -0.120 0.000 1.130 56 G CA 0.542 45.605 45.100 -0.063 0.000 0.760 56 G HN 0.052 nan 8.290 nan 0.000 0.557 57 L N 0.670 121.758 121.223 -0.225 0.000 2.023 57 L HA -0.039 4.299 4.340 -0.002 0.000 0.205 57 L C 3.372 180.195 176.870 -0.079 0.000 1.073 57 L CA 1.850 56.457 54.840 -0.389 0.000 0.745 57 L CB -0.719 40.782 42.059 -0.930 0.000 0.900 57 L HN 0.430 nan 8.230 nan 0.000 0.435 58 T N -3.989 110.560 114.554 -0.008 0.000 2.937 58 T HA 0.139 4.488 4.350 -0.002 0.000 0.260 58 T C 1.578 176.329 174.700 0.086 0.000 1.051 58 T CA 0.896 63.067 62.100 0.119 0.000 1.141 58 T CB 0.404 69.338 68.868 0.110 0.000 0.879 58 T HN 0.505 nan 8.240 nan 0.000 0.459 59 G N 0.746 109.572 108.800 0.043 0.000 2.254 59 G HA2 -0.226 3.732 3.960 -0.002 0.000 0.225 59 G HA3 -0.226 3.732 3.960 -0.002 0.000 0.225 59 G C 0.104 175.022 174.900 0.031 0.000 1.003 59 G CA 0.090 45.212 45.100 0.036 0.000 0.622 59 G HN 0.705 nan 8.290 nan 0.000 0.507 60 Q N 0.741 120.562 119.800 0.035 0.000 2.535 60 Q HA 0.542 4.880 4.340 -0.002 0.000 0.228 60 Q C 0.392 176.405 176.000 0.022 0.000 1.062 60 Q CA 0.735 56.557 55.803 0.030 0.000 0.967 60 Q CB 0.350 29.110 28.738 0.037 0.000 1.273 60 Q HN 0.637 nan 8.270 nan 0.000 0.554 61 K N 1.551 121.963 120.400 0.020 0.000 2.307 61 K HA 0.498 4.817 4.320 -0.002 0.000 0.263 61 K C -0.945 175.666 176.600 0.018 0.000 0.973 61 K CA -0.425 55.872 56.287 0.016 0.000 0.846 61 K CB 0.394 32.901 32.500 0.012 0.000 1.100 61 K HN 0.531 nan 8.250 nan 0.000 0.438 62 L N 4.529 125.763 121.223 0.019 0.000 2.356 62 L HA 0.302 4.641 4.340 -0.002 0.000 0.264 62 L C -2.386 174.496 176.870 0.021 0.000 1.029 62 L CA -2.032 52.821 54.840 0.022 0.000 0.897 62 L CB 1.647 43.722 42.059 0.027 0.000 1.256 62 L HN 0.502 nan 8.230 nan 0.000 0.444 63 P HA 0.002 nan 4.420 nan 0.000 0.264 63 P C -0.901 176.413 177.300 0.024 0.000 1.183 63 P CA 0.043 63.154 63.100 0.019 0.000 0.763 63 P CB 0.363 32.074 31.700 0.019 0.000 0.807 64 K N 2.116 122.529 120.400 0.021 0.000 2.207 64 K HA 0.436 4.755 4.320 -0.002 0.000 0.255 64 K C -0.517 176.104 176.600 0.035 0.000 0.941 64 K CA -0.835 55.469 56.287 0.029 0.000 0.825 64 K CB 1.964 34.477 32.500 0.021 0.000 1.119 64 K HN 0.350 nan 8.250 nan 0.000 0.430 65 E N 2.485 122.721 120.200 0.060 0.000 2.373 65 E HA 0.015 4.363 4.350 -0.002 0.000 0.263 65 E C 0.445 177.064 176.600 0.031 0.000 1.073 65 E CA -0.720 55.733 56.400 0.088 0.000 0.894 65 E CB 0.840 30.662 29.700 0.204 0.000 1.008 65 E HN 0.500 nan 8.360 nan 0.000 0.420 66 K N 1.629 122.005 120.400 -0.039 0.000 1.980 66 K HA -0.131 4.187 4.320 -0.002 0.000 0.229 66 K C 0.974 177.437 176.600 -0.228 0.000 1.026 66 K CA 1.149 57.345 56.287 -0.151 0.000 1.055 66 K CB -1.579 30.781 32.500 -0.232 0.000 0.741 66 K HN 0.818 nan 8.250 nan 0.000 0.448 67 G N 0.742 109.171 108.800 -0.619 0.000 3.688 67 G HA2 -0.225 3.733 3.960 -0.002 0.000 0.378 67 G HA3 -0.225 3.733 3.960 -0.002 0.000 0.378 67 G C 0.580 175.391 174.900 -0.148 0.000 0.923 67 G CA 0.737 45.507 45.100 -0.551 0.000 1.281 67 G HN 0.582 nan 8.290 nan 0.000 0.567 68 S N 0.256 115.899 115.700 -0.095 0.000 2.559 68 S HA 0.312 4.781 4.470 -0.002 0.000 0.226 68 S C 0.944 175.568 174.600 0.040 0.000 1.030 68 S CA 1.009 59.197 58.200 -0.020 0.000 0.956 68 S CB 0.625 63.808 63.200 -0.029 0.000 0.900 68 S HN 0.909 nan 8.310 nan 0.000 0.510 69 T N 2.712 117.328 114.554 0.103 0.000 2.882 69 T HA 0.367 4.715 4.350 -0.002 0.000 0.287 69 T C 1.024 175.820 174.700 0.161 0.000 0.992 69 T CA -0.616 61.591 62.100 0.178 0.000 1.076 69 T CB 1.764 70.834 68.868 0.336 0.000 0.961 69 T HN 0.377 nan 8.240 nan 0.000 0.490 70 R N 2.226 122.783 120.500 0.094 0.000 2.112 70 R HA -0.140 4.198 4.340 -0.002 0.000 0.242 70 R C 1.850 178.182 176.300 0.053 0.000 1.137 70 R CA 1.918 58.056 56.100 0.064 0.000 0.944 70 R CB -0.840 29.485 30.300 0.042 0.000 0.857 70 R HN 0.530 nan 8.270 nan 0.000 0.435 71 V N 1.440 121.365 119.914 0.018 0.000 2.233 71 V HA -0.351 3.768 4.120 -0.002 0.000 0.252 71 V C 2.416 178.435 176.094 -0.126 0.000 1.063 71 V CA 2.395 64.641 62.300 -0.089 0.000 1.032 71 V CB -0.955 30.759 31.823 -0.183 0.000 0.645 71 V HN 0.535 nan 8.190 nan 0.000 0.446 72 H N -0.056 119.022 119.070 0.014 0.000 2.387 72 H HA -0.105 4.450 4.556 -0.002 0.000 0.299 72 H C 2.392 177.731 175.328 0.018 0.000 1.090 72 H CA 1.608 57.665 56.048 0.015 0.000 1.332 72 H CB -0.417 29.353 29.762 0.013 0.000 1.386 72 H HN 0.510 nan 8.280 nan 0.000 0.516 73 A N 1.715 124.619 122.820 0.140 0.000 1.873 73 A HA -0.155 4.163 4.320 -0.002 0.000 0.218 73 A C 2.690 180.311 177.584 0.062 0.000 1.193 73 A CA 1.355 53.445 52.037 0.089 0.000 0.629 73 A CB -1.012 18.034 19.000 0.076 0.000 0.826 73 A HN 0.275 nan 8.150 nan 0.000 0.447 74 L N -0.378 120.869 121.223 0.041 0.000 2.131 74 L HA -0.204 4.135 4.340 -0.002 0.000 0.210 74 L C 2.299 179.179 176.870 0.017 0.000 1.092 74 L CA 1.129 55.983 54.840 0.023 0.000 0.759 74 L CB -0.707 41.356 42.059 0.007 0.000 0.903 74 L HN 0.411 nan 8.230 nan 0.000 0.435 75 N N 0.159 118.866 118.700 0.012 0.000 2.106 75 N HA -0.157 4.582 4.740 -0.002 0.000 0.188 75 N C 1.621 177.150 175.510 0.030 0.000 1.029 75 N CA 1.099 54.155 53.050 0.010 0.000 0.848 75 N CB -0.553 37.933 38.487 -0.000 0.000 1.007 75 N HN 0.236 nan 8.380 nan 0.000 0.423 76 N N 0.612 119.340 118.700 0.048 0.000 2.137 76 N HA -0.105 4.634 4.740 -0.002 0.000 0.190 76 N C 1.702 177.240 175.510 0.047 0.000 1.017 76 N CA 0.672 53.754 53.050 0.052 0.000 0.859 76 N CB -0.352 38.173 38.487 0.064 0.000 1.002 76 N HN 0.073 nan 8.380 nan 0.000 0.428 77 V N 1.045 120.986 119.914 0.045 0.000 2.535 77 V HA -0.044 4.075 4.120 -0.002 0.000 0.246 77 V C 1.800 177.914 176.094 0.035 0.000 1.045 77 V CA 0.901 63.227 62.300 0.044 0.000 1.058 77 V CB -0.376 31.475 31.823 0.046 0.000 0.689 77 V HN 0.282 nan 8.190 nan 0.000 0.461 78 N N 1.115 119.832 118.700 0.027 0.000 2.166 78 N HA -0.204 4.534 4.740 -0.002 0.000 0.186 78 N C 1.864 177.387 175.510 0.022 0.000 1.019 78 N CA 1.742 54.804 53.050 0.020 0.000 0.856 78 N CB -0.245 38.250 38.487 0.013 0.000 0.993 78 N HN 0.604 nan 8.380 nan 0.000 0.426 79 K N 1.038 121.454 120.400 0.026 0.000 2.103 79 K HA 0.082 4.400 4.320 -0.002 0.000 0.204 79 K C 1.821 178.441 176.600 0.032 0.000 1.052 79 K CA 1.327 57.630 56.287 0.027 0.000 0.945 79 K CB -0.213 32.304 32.500 0.029 0.000 0.722 79 K HN 0.028 nan 8.250 nan 0.000 0.443 80 A N 0.979 123.822 122.820 0.037 0.000 1.968 80 A HA 0.035 4.353 4.320 -0.002 0.000 0.217 80 A C 2.121 179.730 177.584 0.042 0.000 1.169 80 A CA 1.118 53.181 52.037 0.043 0.000 0.638 80 A CB -0.552 18.478 19.000 0.049 0.000 0.812 80 A HN 0.327 nan 8.150 nan 0.000 0.446 81 L N -1.228 120.015 121.223 0.034 0.000 2.093 81 L HA -0.135 4.204 4.340 -0.002 0.000 0.208 81 L C 2.814 179.696 176.870 0.020 0.000 1.085 81 L CA 1.183 56.039 54.840 0.027 0.000 0.755 81 L CB -0.425 41.646 42.059 0.021 0.000 0.904 81 L HN 0.330 nan 8.230 nan 0.000 0.435 82 R N -0.519 119.993 120.500 0.020 0.000 2.081 82 R HA -0.124 4.215 4.340 -0.002 0.000 0.235 82 R C 2.275 178.588 176.300 0.021 0.000 1.131 82 R CA 1.240 57.349 56.100 0.015 0.000 0.960 82 R CB -0.437 29.872 30.300 0.015 0.000 0.856 82 R HN 0.147 nan 8.270 nan 0.000 0.436 83 V N 1.496 121.431 119.914 0.035 0.000 2.287 83 V HA -0.263 3.855 4.120 -0.002 0.000 0.248 83 V C 2.259 178.390 176.094 0.062 0.000 1.053 83 V CA 1.769 64.100 62.300 0.052 0.000 1.027 83 V CB -0.452 31.410 31.823 0.066 0.000 0.646 83 V HN 0.260 nan 8.190 nan 0.000 0.447 84 L N -0.583 120.676 121.223 0.060 0.000 2.017 84 L HA -0.248 4.090 4.340 -0.002 0.000 0.208 84 L C 2.645 179.496 176.870 -0.031 0.000 1.073 84 L CA 1.968 56.839 54.840 0.052 0.000 0.745 84 L CB -0.693 41.404 42.059 0.064 0.000 0.894 84 L HN 0.330 nan 8.230 nan 0.000 0.432 85 Q N 0.086 119.872 119.800 -0.024 0.000 2.135 85 Q HA -0.225 4.114 4.340 -0.002 0.000 0.204 85 Q C 1.929 177.898 176.000 -0.051 0.000 0.981 85 Q CA 1.637 57.414 55.803 -0.043 0.000 0.856 85 Q CB 0.048 28.773 28.738 -0.022 0.000 0.902 85 Q HN 0.532 nan 8.270 nan 0.000 0.425 86 N N 0.358 119.042 118.700 -0.026 0.000 2.309 86 N HA -0.097 4.641 4.740 -0.002 0.000 0.182 86 N C 0.753 176.235 175.510 -0.047 0.000 1.018 86 N CA 0.854 53.891 53.050 -0.022 0.000 0.876 86 N CB -0.220 38.270 38.487 0.005 0.000 0.972 86 N HN 0.349 nan 8.380 nan 0.000 0.434 87 N N 1.259 119.910 118.700 -0.083 0.000 2.398 87 N HA 0.037 4.776 4.740 -0.002 0.000 0.188 87 N C -0.414 174.859 175.510 -0.396 0.000 1.122 87 N CA 0.034 52.972 53.050 -0.186 0.000 0.866 87 N CB 0.188 38.578 38.487 -0.162 0.000 0.970 87 N HN 0.144 nan 8.380 nan 0.000 0.462 88 N N 0.319 118.862 118.700 -0.261 0.000 2.818 88 N HA -0.135 4.603 4.740 -0.002 0.000 0.250 88 N C -0.770 174.519 175.510 -0.370 0.000 1.108 88 N CA 0.283 53.184 53.050 -0.249 0.000 0.745 88 N CB -1.395 36.994 38.487 -0.162 0.000 1.104 88 N HN -0.025 nan 8.380 nan 0.000 0.557 89 V N 1.092 120.755 119.914 -0.418 0.000 2.583 89 V HA 0.076 4.194 4.120 -0.002 0.000 0.287 89 V C 0.908 176.904 176.094 -0.164 0.000 1.051 89 V CA -0.494 61.592 62.300 -0.357 0.000 1.010 89 V CB 1.517 33.176 31.823 -0.272 0.000 0.988 89 V HN 0.136 nan 8.190 nan 0.000 0.478 90 D N 3.975 124.306 120.400 -0.114 0.000 2.487 90 D HA 0.062 4.701 4.640 -0.002 0.000 0.243 90 D C 0.309 176.585 176.300 -0.041 0.000 1.154 90 D CA 0.587 54.549 54.000 -0.063 0.000 0.876 90 D CB 0.686 41.460 40.800 -0.044 0.000 1.161 90 D HN 0.465 nan 8.370 nan 0.000 0.478 91 L N 3.366 124.572 121.223 -0.027 0.000 3.298 91 L HA 0.178 4.516 4.340 -0.002 0.000 0.296 91 L C 0.051 176.919 176.870 -0.003 0.000 1.237 91 L CA -0.463 54.370 54.840 -0.011 0.000 1.038 91 L CB 0.800 42.853 42.059 -0.011 0.000 1.423 91 L HN 0.161 nan 8.230 nan 0.000 0.605 92 V N 2.341 122.253 119.914 -0.004 0.000 2.644 92 V HA -0.078 4.041 4.120 -0.002 0.000 0.305 92 V C 0.928 177.024 176.094 0.004 0.000 1.053 92 V CA 0.664 62.964 62.300 -0.001 0.000 1.186 92 V CB 0.153 31.976 31.823 -0.000 0.000 0.895 92 V HN 0.679 nan 8.190 nan 0.000 0.490 93 N N 2.224 120.925 118.700 0.002 0.000 2.800 93 N HA -0.193 4.545 4.740 -0.002 0.000 0.250 93 N C -0.378 175.134 175.510 0.003 0.000 1.078 93 N CA 0.996 54.047 53.050 0.001 0.000 0.804 93 N CB -0.914 37.573 38.487 0.001 0.000 1.135 93 N HN 0.698 nan 8.380 nan 0.000 0.565 94 I N 0.678 121.252 120.570 0.006 0.000 2.359 94 I HA 0.423 4.591 4.170 -0.002 0.000 0.284 94 I C 1.190 177.313 176.117 0.011 0.000 1.018 94 I CA -0.534 60.772 61.300 0.010 0.000 1.173 94 I CB 1.455 39.466 38.000 0.018 0.000 1.326 94 I HN 0.047 nan 8.210 nan 0.000 0.462 95 G N 2.540 111.346 108.800 0.009 0.000 2.521 95 G HA2 0.335 4.293 3.960 -0.002 0.000 0.323 95 G HA3 0.335 4.293 3.960 -0.002 0.000 0.323 95 G C 0.850 175.760 174.900 0.017 0.000 1.211 95 G CA -0.254 44.852 45.100 0.011 0.000 0.979 95 G HN 0.584 nan 8.290 nan 0.000 0.490 96 S N -1.181 114.529 115.700 0.018 0.000 2.423 96 S HA -0.177 4.291 4.470 -0.002 0.000 0.231 96 S C 2.319 176.933 174.600 0.024 0.000 1.014 96 S CA 1.979 60.194 58.200 0.024 0.000 0.965 96 S CB -0.801 62.412 63.200 0.022 0.000 0.785 96 S HN 0.876 nan 8.310 nan 0.000 0.495 97 T N 0.523 115.087 114.554 0.017 0.000 2.746 97 T HA -0.141 4.208 4.350 -0.002 0.000 0.267 97 T C 1.397 176.108 174.700 0.018 0.000 1.039 97 T CA 1.394 63.504 62.100 0.016 0.000 1.142 97 T CB -0.755 68.120 68.868 0.011 0.000 0.866 97 T HN 0.265 nan 8.240 nan 0.000 0.444 98 D N 1.403 121.811 120.400 0.013 0.000 2.149 98 D HA -0.051 4.587 4.640 -0.002 0.000 0.198 98 D C 2.079 178.390 176.300 0.019 0.000 0.990 98 D CA 0.921 54.925 54.000 0.007 0.000 0.839 98 D CB -0.125 40.676 40.800 0.002 0.000 0.948 98 D HN 0.380 nan 8.370 nan 0.000 0.460 99 I N 0.386 120.976 120.570 0.033 0.000 2.400 99 I HA -0.108 4.061 4.170 -0.002 0.000 0.248 99 I C 2.529 178.681 176.117 0.059 0.000 1.109 99 I CA 0.476 61.809 61.300 0.054 0.000 1.425 99 I CB -0.983 37.055 38.000 0.063 0.000 1.094 99 I HN -0.109 nan 8.210 nan 0.000 0.425 100 V N 1.328 121.271 119.914 0.049 0.000 2.358 100 V HA -0.206 3.912 4.120 -0.002 0.000 0.246 100 V C 1.488 177.611 176.094 0.047 0.000 1.047 100 V CA 1.652 63.983 62.300 0.051 0.000 1.035 100 V CB -0.635 31.214 31.823 0.044 0.000 0.658 100 V HN 0.342 nan 8.190 nan 0.000 0.452 101 D N 0.508 120.930 120.400 0.037 0.000 2.324 101 D HA 0.170 4.809 4.640 -0.002 0.000 0.235 101 D C 1.363 177.683 176.300 0.035 0.000 1.095 101 D CA 0.924 54.943 54.000 0.033 0.000 0.871 101 D CB -0.276 40.537 40.800 0.022 0.000 0.906 101 D HN 0.492 nan 8.370 nan 0.000 0.522 102 G N 2.427 111.254 108.800 0.045 0.000 2.381 102 G HA2 -0.289 3.669 3.960 -0.002 0.000 0.281 102 G HA3 -0.289 3.669 3.960 -0.002 0.000 0.281 102 G C -0.126 174.778 174.900 0.007 0.000 0.984 102 G CA -0.266 44.864 45.100 0.049 0.000 1.339 102 G HN 0.302 nan 8.290 nan 0.000 0.485 103 N N 1.304 119.989 118.700 -0.025 0.000 2.485 103 N HA 0.163 4.901 4.740 -0.002 0.000 0.243 103 N C 1.635 177.018 175.510 -0.212 0.000 0.987 103 N CA -0.214 52.789 53.050 -0.078 0.000 0.940 103 N CB 0.368 38.814 38.487 -0.068 0.000 1.122 103 N HN 0.617 nan 8.380 nan 0.000 0.509 104 H N 3.571 122.409 119.070 -0.386 0.000 2.421 104 H HA -0.090 4.465 4.556 -0.002 0.000 0.298 104 H C 1.359 176.440 175.328 -0.412 0.000 1.087 104 H CA 1.916 57.471 56.048 -0.822 0.000 1.330 104 H CB -0.076 28.755 29.762 -1.551 0.000 1.388 104 H HN 0.512 nan 8.280 nan 0.000 0.526 105 K N 2.435 121.998 120.400 -1.394 0.000 2.002 105 K HA 0.056 4.374 4.320 -0.002 0.000 0.209 105 K C 2.777 179.208 176.600 -0.283 0.000 1.048 105 K CA 1.305 57.152 56.287 -0.732 0.000 0.930 105 K CB -1.069 31.135 32.500 -0.494 0.000 0.714 105 K HN 0.398 nan 8.250 nan 0.000 0.438 106 L N 1.140 122.244 121.223 -0.199 0.000 2.217 106 L HA -0.109 4.229 4.340 -0.002 0.000 0.211 106 L C 2.745 179.618 176.870 0.005 0.000 1.107 106 L CA 1.539 56.342 54.840 -0.062 0.000 0.783 106 L CB -0.512 41.515 42.059 -0.053 0.000 0.919 106 L HN 0.418 nan 8.230 nan 0.000 0.442 107 T N 0.285 114.839 114.554 0.000 0.000 2.812 107 T HA -0.099 4.250 4.350 -0.002 0.000 0.264 107 T C 2.011 176.847 174.700 0.227 0.000 1.042 107 T CA 0.982 63.160 62.100 0.131 0.000 1.140 107 T CB -0.169 68.819 68.868 0.200 0.000 0.870 107 T HN 0.186 nan 8.240 nan 0.000 0.445 108 L N 0.811 122.182 121.223 0.248 0.000 2.083 108 L HA -0.028 4.311 4.340 -0.002 0.000 0.209 108 L C 2.975 180.059 176.870 0.357 0.000 1.083 108 L CA 1.300 56.383 54.840 0.405 0.000 0.752 108 L CB -0.953 41.305 42.059 0.331 0.000 0.899 108 L HN 0.367 nan 8.230 nan 0.000 0.433 109 G N 0.141 109.062 108.800 0.202 0.000 2.418 109 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.217 109 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.217 109 G C 1.569 176.566 174.900 0.162 0.000 1.158 109 G CA 0.733 45.948 45.100 0.190 0.000 0.771 109 G HN 0.222 nan 8.290 nan 0.000 0.545 110 L N 0.873 122.165 121.223 0.115 0.000 1.994 110 L HA -0.027 4.312 4.340 -0.002 0.000 0.208 110 L C 2.607 179.504 176.870 0.044 0.000 1.071 110 L CA 1.480 56.364 54.840 0.074 0.000 0.745 110 L CB -0.360 41.743 42.059 0.073 0.000 0.892 110 L HN 0.111 nan 8.230 nan 0.000 0.431 111 I N -1.049 119.563 120.570 0.071 0.000 2.226 111 I HA -0.352 3.817 4.170 -0.002 0.000 0.245 111 I C 2.448 178.396 176.117 -0.283 0.000 1.100 111 I CA 1.665 62.932 61.300 -0.055 0.000 1.374 111 I CB -1.768 36.258 38.000 0.043 0.000 1.057 111 I HN 0.657 nan 8.210 nan 0.000 0.413 112 W N 2.551 123.605 121.300 -0.411 0.000 2.338 112 W HA -0.264 4.395 4.660 -0.003 0.000 0.304 112 W C 2.171 178.513 176.519 -0.297 0.000 1.212 112 W CA 1.298 58.347 57.345 -0.494 0.000 1.264 112 W CB -0.171 29.195 29.460 -0.157 0.000 1.142 112 W HN 0.225 nan 8.180 nan 0.000 0.512 113 N N 0.871 119.436 118.700 -0.225 0.000 2.166 113 N HA -0.182 4.557 4.740 -0.002 0.000 0.186 113 N C 1.661 177.020 175.510 -0.253 0.000 1.019 113 N CA 1.922 54.808 53.050 -0.274 0.000 0.856 113 N CB -0.843 37.593 38.487 -0.084 0.000 0.993 113 N HN 0.296 nan 8.380 nan 0.000 0.426 114 I N 0.578 121.053 120.570 -0.159 0.000 2.315 114 I HA -0.173 3.995 4.170 -0.002 0.000 0.248 114 I C 1.884 177.918 176.117 -0.139 0.000 1.117 114 I CA 0.757 62.098 61.300 0.069 0.000 1.404 114 I CB -0.159 37.870 38.000 0.048 0.000 1.071 114 I HN 0.039 nan 8.210 nan 0.000 0.419 115 I N 0.091 120.229 120.570 -0.721 0.000 2.179 115 I HA -0.299 3.869 4.170 -0.002 0.000 0.242 115 I C 2.494 178.132 176.117 -0.797 0.000 1.088 115 I CA 1.134 61.770 61.300 -1.108 0.000 1.357 115 I CB -0.257 36.863 38.000 -1.466 0.000 1.051 115 I HN 0.192 nan 8.210 nan 0.000 0.409 116 L N 0.481 121.116 121.223 -0.981 0.000 2.012 116 L HA -0.283 4.056 4.340 -0.002 0.000 0.210 116 L C 2.596 179.221 176.870 -0.409 0.000 1.073 116 L CA 2.058 56.444 54.840 -0.757 0.000 0.748 116 L CB -0.980 40.607 42.059 -0.786 0.000 0.891 116 L HN 0.264 nan 8.230 nan 0.000 0.431 117 H N -1.584 117.243 119.070 -0.406 0.000 2.253 117 H HA -0.248 4.307 4.556 -0.002 0.000 0.296 117 H C 1.668 176.744 175.328 -0.419 0.000 1.074 117 H CA 2.427 58.207 56.048 -0.446 0.000 1.263 117 H CB -0.284 29.114 29.762 -0.607 0.000 1.363 117 H HN 0.362 nan 8.280 nan 0.000 0.489 118 W N 0.170 121.351 121.300 -0.199 0.000 3.256 118 W HA 0.079 4.738 4.660 -0.003 0.000 0.269 118 W C 1.603 178.085 176.519 -0.062 0.000 1.310 118 W CA 0.844 58.120 57.345 -0.115 0.000 1.673 118 W CB 0.282 29.812 29.460 0.117 0.000 1.115 118 W HN 0.495 nan 8.180 nan 0.000 0.686 119 Q N -1.215 118.600 119.800 0.025 0.000 2.129 119 Q HA -0.068 4.270 4.340 -0.002 0.000 0.164 119 Q C 1.898 177.854 176.000 -0.073 0.000 0.573 119 Q CA 0.427 56.256 55.803 0.043 0.000 0.812 119 Q CB -0.302 28.512 28.738 0.127 0.000 1.106 119 Q HN -0.190 nan 8.270 nan 0.000 0.405 120 V N 2.246 122.053 119.914 -0.178 0.000 2.380 120 V HA -0.237 3.881 4.120 -0.002 0.000 0.251 120 V C 1.508 177.520 176.094 -0.137 0.000 1.063 120 V CA 2.225 64.434 62.300 -0.151 0.000 1.055 120 V CB -0.492 31.212 31.823 -0.199 0.000 0.657 120 V HN 0.283 nan 8.190 nan 0.000 0.455 121 K N 0.263 120.544 120.400 -0.197 0.000 2.476 121 K HA 0.084 4.403 4.320 -0.002 0.000 0.196 121 K C 1.220 177.723 176.600 -0.162 0.000 1.025 121 K CA -0.063 56.114 56.287 -0.183 0.000 1.138 121 K CB -0.101 32.259 32.500 -0.234 0.000 0.860 121 K HN 0.390 nan 8.250 nan 0.000 0.515 122 N N 0.380 119.007 118.700 -0.120 0.000 2.416 122 N HA -0.063 4.675 4.740 -0.002 0.000 0.177 122 N C 1.604 177.086 175.510 -0.047 0.000 1.036 122 N CA 0.423 53.425 53.050 -0.080 0.000 0.901 122 N CB 0.123 38.587 38.487 -0.039 0.000 0.976 122 N HN -0.076 nan 8.380 nan 0.000 0.444 123 V N 1.697 121.588 119.914 -0.037 0.000 2.231 123 V HA -0.282 3.836 4.120 -0.002 0.000 0.248 123 V C 2.396 178.477 176.094 -0.022 0.000 1.054 123 V CA 1.975 64.265 62.300 -0.017 0.000 1.015 123 V CB -0.511 31.308 31.823 -0.008 0.000 0.638 123 V HN 0.317 nan 8.190 nan 0.000 0.444 124 M N -0.496 119.083 119.600 -0.035 0.000 2.213 124 M HA -0.162 4.316 4.480 -0.002 0.000 0.263 124 M C 2.070 178.345 176.300 -0.041 0.000 1.062 124 M CA 1.857 57.137 55.300 -0.034 0.000 1.105 124 M CB -0.322 32.252 32.600 -0.044 0.000 1.385 124 M HN 0.131 nan 8.290 nan 0.000 0.417 125 K N -0.040 120.325 120.400 -0.057 0.000 2.103 125 K HA -0.057 4.261 4.320 -0.002 0.000 0.204 125 K C 1.519 178.100 176.600 -0.033 0.000 1.052 125 K CA 1.328 57.582 56.287 -0.055 0.000 0.945 125 K CB -0.273 32.182 32.500 -0.076 0.000 0.722 125 K HN 0.417 nan 8.250 nan 0.000 0.443 126 N N 1.049 119.735 118.700 -0.024 0.000 2.244 126 N HA -0.084 4.654 4.740 -0.002 0.000 0.183 126 N C 1.683 177.190 175.510 -0.004 0.000 1.016 126 N CA 0.765 53.809 53.050 -0.010 0.000 0.866 126 N CB -0.076 38.410 38.487 -0.002 0.000 0.980 126 N HN 0.079 nan 8.380 nan 0.000 0.430 127 I N 1.041 121.608 120.570 -0.005 0.000 2.133 127 I HA -0.175 3.993 4.170 -0.002 0.000 0.238 127 I C 2.135 178.251 176.117 -0.001 0.000 1.074 127 I CA 1.108 62.409 61.300 0.001 0.000 1.342 127 I CB -1.055 36.947 38.000 0.003 0.000 1.053 127 I HN 0.164 nan 8.210 nan 0.000 0.404 128 M N 0.613 120.207 119.600 -0.009 0.000 2.144 128 M HA -0.201 4.278 4.480 -0.002 0.000 0.260 128 M C 2.398 178.692 176.300 -0.010 0.000 1.067 128 M CA 2.068 57.361 55.300 -0.011 0.000 1.095 128 M CB -0.743 31.845 32.600 -0.019 0.000 1.365 128 M HN 0.275 nan 8.290 nan 0.000 0.406 129 A N 0.477 123.291 122.820 -0.010 0.000 2.019 129 A HA -0.006 4.312 4.320 -0.002 0.000 0.219 129 A C 2.333 179.916 177.584 -0.001 0.000 1.164 129 A CA 1.810 53.843 52.037 -0.007 0.000 0.644 129 A CB -1.198 17.799 19.000 -0.006 0.000 0.805 129 A HN 0.569 nan 8.150 nan 0.000 0.449 130 G N -0.364 108.437 108.800 0.002 0.000 2.395 130 G HA2 -0.074 3.884 3.960 -0.002 0.000 0.214 130 G HA3 -0.074 3.884 3.960 -0.002 0.000 0.214 130 G C 1.495 176.399 174.900 0.006 0.000 1.177 130 G CA 0.702 45.806 45.100 0.007 0.000 0.794 130 G HN 0.370 nan 8.290 nan 0.000 0.532 131 L N 0.566 121.791 121.223 0.004 0.000 2.034 131 L HA -0.279 4.059 4.340 -0.002 0.000 0.217 131 L C 3.572 180.439 176.870 -0.005 0.000 1.077 131 L CA 2.296 57.136 54.840 -0.001 0.000 0.769 131 L CB -0.866 41.190 42.059 -0.004 0.000 0.890 131 L HN 0.483 nan 8.230 nan 0.000 0.435 132 Q N -0.224 119.572 119.800 -0.006 0.000 2.364 132 Q HA -0.233 4.105 4.340 -0.002 0.000 0.209 132 Q C 1.945 177.943 176.000 -0.004 0.000 0.977 132 Q CA 1.567 57.366 55.803 -0.007 0.000 0.885 132 Q CB -0.708 28.025 28.738 -0.007 0.000 0.941 132 Q HN 0.688 nan 8.270 nan 0.000 0.464 133 Q N -0.440 119.361 119.800 0.001 0.000 2.360 133 Q HA 0.066 4.405 4.340 -0.002 0.000 0.202 133 Q C -0.329 175.674 176.000 0.006 0.000 0.915 133 Q CA 0.841 56.647 55.803 0.004 0.000 0.943 133 Q CB 0.303 29.046 28.738 0.008 0.000 1.064 133 Q HN 0.409 nan 8.270 nan 0.000 0.511 134 T N 2.385 116.941 114.554 0.002 0.000 2.863 134 T HA 0.369 4.718 4.350 -0.002 0.000 0.285 134 T C -0.469 174.225 174.700 -0.011 0.000 1.009 134 T CA -0.754 61.347 62.100 0.002 0.000 0.989 134 T CB 1.149 70.022 68.868 0.009 0.000 1.004 134 T HN 0.498 nan 8.240 nan 0.000 0.455 135 N N 1.644 120.338 118.700 -0.010 0.000 2.491 135 N HA 0.311 5.050 4.740 -0.002 0.000 0.279 135 N C 0.941 176.422 175.510 -0.050 0.000 1.236 135 N CA -0.521 52.511 53.050 -0.029 0.000 0.982 135 N CB 0.743 39.215 38.487 -0.024 0.000 1.194 135 N HN 0.347 nan 8.380 nan 0.000 0.582 136 S N -0.207 115.441 115.700 -0.087 0.000 2.368 136 S HA -0.128 4.341 4.470 -0.002 0.000 0.224 136 S C 1.445 175.964 174.600 -0.136 0.000 1.029 136 S CA 0.891 59.002 58.200 -0.147 0.000 0.988 136 S CB -0.361 62.725 63.200 -0.190 0.000 0.838 136 S HN 0.716 nan 8.310 nan 0.000 0.462 137 E N 1.219 121.358 120.200 -0.100 0.000 2.033 137 E HA -0.205 4.143 4.350 -0.002 0.000 0.199 137 E C 2.150 178.840 176.600 0.149 0.000 1.011 137 E CA 1.637 58.009 56.400 -0.046 0.000 0.815 137 E CB 0.031 29.730 29.700 -0.001 0.000 0.755 137 E HN 0.271 nan 8.360 nan 0.000 0.451 138 K N -0.179 120.287 120.400 0.110 0.000 2.097 138 K HA -0.111 4.207 4.320 -0.002 0.000 0.206 138 K C 2.114 178.783 176.600 0.115 0.000 1.049 138 K CA 1.326 57.692 56.287 0.131 0.000 0.933 138 K CB -0.642 31.909 32.500 0.084 0.000 0.717 138 K HN 0.307 nan 8.250 nan 0.000 0.442 139 I N 0.278 120.873 120.570 0.042 0.000 2.252 139 I HA -0.193 3.975 4.170 -0.002 0.000 0.245 139 I C 2.343 178.513 176.117 0.088 0.000 1.102 139 I CA 0.918 62.238 61.300 0.033 0.000 1.385 139 I CB -0.314 37.652 38.000 -0.057 0.000 1.064 139 I HN 0.070 nan 8.210 nan 0.000 0.414 140 L N 0.180 121.426 121.223 0.039 0.000 1.989 140 L HA -0.234 4.104 4.340 -0.002 0.000 0.211 140 L C 2.307 179.499 176.870 0.536 0.000 1.071 140 L CA 1.748 56.713 54.840 0.208 0.000 0.749 140 L CB -0.691 41.405 42.059 0.061 0.000 0.890 140 L HN 0.157 nan 8.230 nan 0.000 0.431 141 L N -0.931 120.624 121.223 0.553 0.000 2.013 141 L HA -0.254 4.085 4.340 -0.002 0.000 0.212 141 L C 2.623 179.638 176.870 0.243 0.000 1.073 141 L CA 2.318 57.355 54.840 0.328 0.000 0.753 141 L CB -0.976 41.203 42.059 0.200 0.000 0.890 141 L HN 0.444 nan 8.230 nan 0.000 0.432 142 S N -1.477 114.360 115.700 0.229 0.000 2.359 142 S HA -0.289 4.180 4.470 -0.002 0.000 0.224 142 S C 1.648 176.417 174.600 0.283 0.000 1.035 142 S CA 1.460 59.777 58.200 0.196 0.000 1.018 142 S CB -1.297 62.006 63.200 0.172 0.000 0.876 142 S HN 0.720 nan 8.310 nan 0.000 0.448 143 W N 2.685 124.082 121.300 0.162 0.000 2.363 143 W HA -0.132 4.527 4.660 -0.002 0.000 0.296 143 W C 1.910 178.554 176.519 0.210 0.000 1.212 143 W CA 1.049 58.520 57.345 0.211 0.000 1.260 143 W CB -0.481 29.170 29.460 0.318 0.000 1.131 143 W HN 0.031 nan 8.180 nan 0.000 0.530 144 V N 1.625 121.715 119.914 0.295 0.000 2.261 144 V HA -0.320 3.798 4.120 -0.002 0.000 0.246 144 V C 2.519 178.552 176.094 -0.102 0.000 1.047 144 V CA 2.464 64.767 62.300 0.006 0.000 1.015 144 V CB -0.916 31.059 31.823 0.253 0.000 0.642 144 V HN 0.168 nan 8.190 nan 0.000 0.446 145 R N -0.378 120.106 120.500 -0.026 0.000 2.083 145 R HA -0.218 4.120 4.340 -0.002 0.000 0.237 145 R C 2.425 178.692 176.300 -0.055 0.000 1.137 145 R CA 1.881 57.950 56.100 -0.053 0.000 0.951 145 R CB -0.391 29.900 30.300 -0.014 0.000 0.851 145 R HN 0.601 nan 8.270 nan 0.000 0.434 146 Q N -0.003 119.788 119.800 -0.015 0.000 2.050 146 Q HA -0.096 4.242 4.340 -0.002 0.000 0.202 146 Q C 2.278 178.216 176.000 -0.103 0.000 0.980 146 Q CA 1.827 57.617 55.803 -0.021 0.000 0.840 146 Q CB -0.017 28.747 28.738 0.044 0.000 0.898 146 Q HN 0.216 nan 8.270 nan 0.000 0.424 147 S N 0.482 116.057 115.700 -0.208 0.000 2.387 147 S HA -0.155 4.313 4.470 -0.002 0.000 0.230 147 S C 1.976 176.392 174.600 -0.307 0.000 1.035 147 S CA 1.751 59.755 58.200 -0.328 0.000 1.014 147 S CB -0.462 62.445 63.200 -0.489 0.000 0.836 147 S HN 0.646 nan 8.310 nan 0.000 0.466 148 T N -1.151 113.244 114.554 -0.266 0.000 3.163 148 T HA 0.359 4.707 4.350 -0.002 0.000 0.252 148 T C 1.605 176.261 174.700 -0.073 0.000 1.056 148 T CA 0.436 62.383 62.100 -0.255 0.000 0.947 148 T CB -0.130 68.542 68.868 -0.326 0.000 1.016 148 T HN 0.366 nan 8.240 nan 0.000 0.554 149 R N 2.535 123.004 120.500 -0.052 0.000 2.127 149 R HA -0.006 4.332 4.340 -0.002 0.000 0.238 149 R C 1.843 178.137 176.300 -0.010 0.000 1.134 149 R CA 1.727 57.810 56.100 -0.028 0.000 0.975 149 R CB -1.510 28.770 30.300 -0.033 0.000 0.865 149 R HN 0.558 nan 8.270 nan 0.000 0.447 150 N N -0.333 118.376 118.700 0.014 0.000 2.313 150 N HA 0.058 4.796 4.740 -0.002 0.000 0.207 150 N C -1.127 174.238 175.510 -0.242 0.000 1.141 150 N CA 0.204 53.190 53.050 -0.106 0.000 0.830 150 N CB 0.341 38.712 38.487 -0.193 0.000 1.008 150 N HN 0.567 nan 8.380 nan 0.000 0.481 151 Y N 0.911 121.070 120.300 -0.234 0.000 2.712 151 Y HA 0.296 4.845 4.550 -0.002 0.000 0.328 151 Y C -1.447 174.396 175.900 -0.095 0.000 0.995 151 Y CA -2.195 55.739 58.100 -0.277 0.000 1.283 151 Y CB 1.493 39.646 38.460 -0.511 0.000 1.092 151 Y HN -0.018 nan 8.280 nan 0.000 0.519 152 P HA -0.159 nan 4.420 nan 0.000 0.225 152 P C 0.337 177.691 177.300 0.090 0.000 1.148 152 P CA 1.206 64.342 63.100 0.059 0.000 0.779 152 P CB 0.518 32.239 31.700 0.034 0.000 0.780 153 Q N -0.670 119.237 119.800 0.178 0.000 2.432 153 Q HA 0.093 4.432 4.340 -0.002 0.000 0.205 153 Q C 0.665 176.737 176.000 0.120 0.000 0.945 153 Q CA 0.409 56.309 55.803 0.162 0.000 0.924 153 Q CB -0.366 28.510 28.738 0.230 0.000 1.016 153 Q HN 0.122 nan 8.270 nan 0.000 0.503 154 V N 2.049 122.028 119.914 0.108 0.000 2.435 154 V HA 0.316 4.434 4.120 -0.002 0.000 0.290 154 V C -0.405 175.648 176.094 -0.068 0.000 1.030 154 V CA -0.807 61.492 62.300 -0.002 0.000 0.881 154 V CB 1.625 33.418 31.823 -0.050 0.000 0.983 154 V HN 0.304 nan 8.190 nan 0.000 0.445 155 N N 3.964 122.590 118.700 -0.123 0.000 2.640 155 N HA 0.287 5.025 4.740 -0.002 0.000 0.262 155 N C -1.481 173.916 175.510 -0.188 0.000 1.174 155 N CA -0.320 52.656 53.050 -0.123 0.000 0.791 155 N CB 1.762 40.203 38.487 -0.076 0.000 1.279 155 N HN 0.408 nan 8.380 nan 0.000 0.535 156 V N 5.436 125.204 119.914 -0.243 0.000 2.455 156 V HA 0.185 4.304 4.120 -0.002 0.000 0.273 156 V C 1.386 177.359 176.094 -0.203 0.000 1.045 156 V CA -0.094 62.013 62.300 -0.322 0.000 0.976 156 V CB 0.820 32.370 31.823 -0.455 0.000 0.993 156 V HN 0.664 nan 8.190 nan 0.000 0.475 157 I N 1.899 122.370 120.570 -0.165 0.000 4.338 157 I HA 0.464 4.633 4.170 -0.002 0.000 0.329 157 I C 0.181 176.251 176.117 -0.079 0.000 1.378 157 I CA -0.274 60.969 61.300 -0.096 0.000 1.170 157 I CB 0.493 38.464 38.000 -0.049 0.000 1.206 157 I HN 0.688 nan 8.210 nan 0.000 0.432 158 N N -0.115 118.524 118.700 -0.102 0.000 3.277 158 N HA 0.372 5.111 4.740 -0.002 0.000 0.278 158 N C -0.976 174.522 175.510 -0.020 0.000 1.544 158 N CA -0.759 52.277 53.050 -0.022 0.000 0.869 158 N CB 0.272 38.816 38.487 0.095 0.000 1.584 158 N HN -0.069 nan 8.380 nan 0.000 0.564 159 F N -0.630 119.513 119.950 0.321 0.000 2.684 159 F HA 0.360 4.886 4.527 -0.002 0.000 0.298 159 F C 1.199 177.114 175.800 0.193 0.000 1.120 159 F CA 0.001 58.161 58.000 0.265 0.000 1.332 159 F CB -0.057 38.996 39.000 0.088 0.000 0.986 159 F HN 0.766 nan 8.300 nan 0.000 0.524 160 T N -4.869 109.923 114.554 0.398 0.000 1.850 160 T HA 0.046 4.395 4.350 -0.002 0.000 0.176 160 T C 1.978 176.885 174.700 0.344 0.000 0.702 160 T CA 0.690 62.972 62.100 0.303 0.000 1.184 160 T CB -0.548 68.450 68.868 0.217 0.000 3.221 160 T HN 0.012 nan 8.240 nan 0.000 0.405 161 T N 0.869 115.553 114.554 0.217 0.000 2.869 161 T HA -0.085 4.264 4.350 -0.002 0.000 0.270 161 T C 1.976 176.752 174.700 0.127 0.000 1.082 161 T CA 1.598 63.786 62.100 0.147 0.000 1.123 161 T CB -1.211 67.700 68.868 0.072 0.000 0.856 161 T HN 0.368 nan 8.240 nan 0.000 0.499 162 S N 0.122 115.888 115.700 0.110 0.000 2.595 162 S HA 0.047 4.515 4.470 -0.002 0.000 0.235 162 S C 0.487 174.938 174.600 -0.248 0.000 0.974 162 S CA 0.462 58.573 58.200 -0.148 0.000 0.942 162 S CB -0.476 62.503 63.200 -0.367 0.000 0.766 162 S HN 0.830 nan 8.310 nan 0.000 0.536 163 W N 0.382 121.712 121.300 0.049 0.000 2.870 163 W HA 0.370 5.028 4.660 -0.002 0.000 0.358 163 W C 1.997 178.555 176.519 0.065 0.000 1.043 163 W CA -0.503 56.888 57.345 0.076 0.000 1.692 163 W CB -0.513 29.024 29.460 0.127 0.000 1.100 163 W HN 0.044 nan 8.180 nan 0.000 0.557 164 S N 1.160 116.990 115.700 0.217 0.000 2.353 164 S HA -0.258 4.211 4.470 -0.002 0.000 0.222 164 S C 1.422 176.074 174.600 0.086 0.000 1.035 164 S CA 2.181 60.464 58.200 0.139 0.000 1.025 164 S CB -0.730 62.522 63.200 0.087 0.000 0.902 164 S HN 0.493 nan 8.310 nan 0.000 0.440 165 D N 0.725 121.152 120.400 0.045 0.000 2.411 165 D HA 0.076 4.715 4.640 -0.002 0.000 0.226 165 D C 1.290 177.599 176.300 0.015 0.000 0.988 165 D CA 1.003 55.010 54.000 0.012 0.000 0.938 165 D CB -0.935 39.859 40.800 -0.010 0.000 0.883 165 D HN 0.454 nan 8.370 nan 0.000 0.525 166 G N -0.197 108.637 108.800 0.057 0.000 2.284 166 G HA2 -0.404 3.555 3.960 -0.002 0.000 0.261 166 G HA3 -0.404 3.555 3.960 -0.002 0.000 0.261 166 G C 1.068 176.007 174.900 0.066 0.000 0.997 166 G CA 0.630 45.755 45.100 0.040 0.000 0.621 166 G HN 0.452 nan 8.290 nan 0.000 0.534 167 L N 0.285 121.545 121.223 0.062 0.000 2.005 167 L HA 0.150 4.488 4.340 -0.002 0.000 0.207 167 L C 3.375 180.373 176.870 0.214 0.000 1.072 167 L CA 1.835 56.773 54.840 0.163 0.000 0.744 167 L CB -0.795 41.355 42.059 0.151 0.000 0.895 167 L HN 0.377 nan 8.230 nan 0.000 0.433 168 A N 0.101 122.910 122.820 -0.018 0.000 1.883 168 A HA -0.248 4.071 4.320 -0.002 0.000 0.217 168 A C 2.224 179.804 177.584 -0.007 0.000 1.186 168 A CA 1.892 53.779 52.037 -0.250 0.000 0.624 168 A CB -0.801 17.689 19.000 -0.849 0.000 0.822 168 A HN 0.323 nan 8.150 nan 0.000 0.444 169 L N 0.571 121.968 121.223 0.289 0.000 2.012 169 L HA -0.174 4.164 4.340 -0.002 0.000 0.210 169 L C 1.939 179.034 176.870 0.375 0.000 1.073 169 L CA 2.212 57.374 54.840 0.537 0.000 0.748 169 L CB -0.971 41.421 42.059 0.556 0.000 0.891 169 L HN 0.387 nan 8.230 nan 0.000 0.431 170 N N -0.153 118.761 118.700 0.358 0.000 2.106 170 N HA -0.119 4.620 4.740 -0.002 0.000 0.188 170 N C 1.809 177.623 175.510 0.506 0.000 1.029 170 N CA 1.497 54.863 53.050 0.527 0.000 0.848 170 N CB -0.250 38.552 38.487 0.525 0.000 1.007 170 N HN 0.489 nan 8.380 nan 0.000 0.423 171 A N 1.682 124.649 122.820 0.245 0.000 1.892 171 A HA -0.169 4.149 4.320 -0.002 0.000 0.218 171 A C 2.281 179.535 177.584 -0.551 0.000 1.188 171 A CA 1.266 52.920 52.037 -0.638 0.000 0.631 171 A CB -0.892 17.516 19.000 -0.987 0.000 0.822 171 A HN 0.276 nan 8.150 nan 0.000 0.447 172 L N -0.100 120.999 121.223 -0.207 0.000 2.042 172 L HA -0.138 4.201 4.340 -0.002 0.000 0.210 172 L C 2.230 179.130 176.870 0.050 0.000 1.076 172 L CA 1.924 56.688 54.840 -0.127 0.000 0.749 172 L CB -0.359 41.723 42.059 0.038 0.000 0.893 172 L HN 0.463 nan 8.230 nan 0.000 0.432 173 I N -1.435 119.258 120.570 0.205 0.000 2.252 173 I HA -0.290 3.879 4.170 -0.002 0.000 0.245 173 I C 2.532 178.770 176.117 0.202 0.000 1.102 173 I CA 1.317 62.787 61.300 0.284 0.000 1.385 173 I CB -0.709 37.536 38.000 0.408 0.000 1.064 173 I HN 0.421 nan 8.210 nan 0.000 0.414 174 H N 0.980 120.062 119.070 0.020 0.000 2.353 174 H HA -0.180 4.374 4.556 -0.002 0.000 0.300 174 H C 2.548 177.776 175.328 -0.168 0.000 1.090 174 H CA 2.002 57.949 56.048 -0.167 0.000 1.327 174 H CB 0.254 29.910 29.762 -0.175 0.000 1.383 174 H HN 0.376 nan 8.280 nan 0.000 0.508 175 S N -0.114 115.408 115.700 -0.297 0.000 2.383 175 S HA -0.193 4.275 4.470 -0.002 0.000 0.229 175 S C 1.832 176.132 174.600 -0.500 0.000 1.030 175 S CA 1.388 59.359 58.200 -0.382 0.000 1.002 175 S CB -0.516 62.348 63.200 -0.560 0.000 0.829 175 S HN 0.574 nan 8.310 nan 0.000 0.467 176 H N 0.678 119.678 119.070 -0.116 0.000 2.431 176 H HA 0.299 4.853 4.556 -0.002 0.000 0.295 176 H C 0.422 175.710 175.328 -0.067 0.000 1.038 176 H CA 0.632 56.646 56.048 -0.058 0.000 1.360 176 H CB 0.205 29.975 29.762 0.013 0.000 1.433 176 H HN 0.240 nan 8.280 nan 0.000 0.536 177 R N 1.444 121.936 120.500 -0.013 0.000 2.651 177 R HA 0.178 4.516 4.340 -0.002 0.000 0.282 177 R C -2.104 174.072 176.300 -0.207 0.000 1.565 177 R CA -1.763 54.313 56.100 -0.040 0.000 1.661 177 R CB 0.734 31.078 30.300 0.074 0.000 1.189 177 R HN 0.258 nan 8.270 nan 0.000 0.621 178 P HA -0.154 nan 4.420 nan 0.000 0.226 178 P C 0.616 177.760 177.300 -0.260 0.000 1.153 178 P CA 1.048 63.779 63.100 -0.615 0.000 0.777 178 P CB 0.304 31.711 31.700 -0.488 0.000 0.794 179 D N -0.049 120.282 120.400 -0.116 0.000 2.264 179 D HA -0.144 4.494 4.640 -0.002 0.000 0.208 179 D C 1.869 178.206 176.300 0.062 0.000 0.966 179 D CA 0.771 54.765 54.000 -0.011 0.000 0.864 179 D CB -1.010 39.793 40.800 0.004 0.000 0.933 179 D HN 0.161 nan 8.370 nan 0.000 0.499 180 L N -1.160 120.119 121.223 0.094 0.000 2.313 180 L HA 0.170 4.509 4.340 -0.002 0.000 0.214 180 L C 0.122 177.268 176.870 0.459 0.000 1.119 180 L CA 0.178 55.179 54.840 0.268 0.000 0.809 180 L CB -0.368 41.918 42.059 0.378 0.000 0.933 180 L HN 0.213 nan 8.230 nan 0.000 0.449 181 F N -3.671 116.454 119.950 0.290 0.000 3.194 181 F HA 0.393 4.919 4.527 -0.003 0.000 0.327 181 F C -1.608 174.382 175.800 0.317 0.000 1.141 181 F CA -1.882 56.290 58.000 0.286 0.000 0.862 181 F CB 0.829 40.037 39.000 0.347 0.000 1.447 181 F HN -0.310 nan 8.300 nan 0.000 0.479 182 D N 1.564 122.223 120.400 0.432 0.000 2.349 182 D HA 0.140 4.778 4.640 -0.002 0.000 0.232 182 D C 0.540 176.927 176.300 0.146 0.000 1.071 182 D CA -0.630 53.500 54.000 0.217 0.000 0.832 182 D CB 0.935 41.838 40.800 0.172 0.000 1.086 182 D HN 0.682 nan 8.370 nan 0.000 0.504 183 W N 4.863 125.963 121.300 -0.333 0.000 2.302 183 W HA -0.285 4.374 4.660 -0.002 0.000 0.320 183 W C 0.863 177.336 176.519 -0.078 0.000 1.241 183 W CA 1.145 58.304 57.345 -0.310 0.000 1.264 183 W CB -0.030 29.240 29.460 -0.317 0.000 1.154 183 W HN 0.520 nan 8.180 nan 0.000 0.483 184 N N 0.506 119.119 118.700 -0.144 0.000 2.149 184 N HA -0.184 4.555 4.740 -0.002 0.000 0.188 184 N C 1.733 177.087 175.510 -0.260 0.000 1.019 184 N CA 2.152 55.046 53.050 -0.260 0.000 0.857 184 N CB -0.938 37.495 38.487 -0.090 0.000 0.997 184 N HN 0.180 nan 8.380 nan 0.000 0.426 185 S N 0.010 115.617 115.700 -0.155 0.000 2.555 185 S HA 0.045 4.514 4.470 -0.002 0.000 0.230 185 S C 1.978 176.424 174.600 -0.256 0.000 0.978 185 S CA 0.184 58.292 58.200 -0.152 0.000 0.934 185 S CB -0.167 62.995 63.200 -0.065 0.000 0.766 185 S HN 0.025 nan 8.310 nan 0.000 0.533 186 V N 1.206 120.901 119.914 -0.366 0.000 2.599 186 V HA -0.012 4.106 4.120 -0.002 0.000 0.245 186 V C 2.461 178.256 176.094 -0.499 0.000 1.046 186 V CA 1.017 63.033 62.300 -0.474 0.000 1.065 186 V CB -0.192 31.346 31.823 -0.474 0.000 0.703 186 V HN 0.452 nan 8.190 nan 0.000 0.464 187 V N 1.051 120.560 119.914 -0.675 0.000 2.490 187 V HA -0.177 3.942 4.120 -0.002 0.000 0.250 187 V C 2.330 178.239 176.094 -0.309 0.000 1.061 187 V CA 2.129 64.099 62.300 -0.550 0.000 1.064 187 V CB -0.883 30.582 31.823 -0.597 0.000 0.670 187 V HN 0.717 nan 8.190 nan 0.000 0.461 188 S N -0.621 114.924 115.700 -0.259 0.000 2.575 188 S HA 0.066 4.534 4.470 -0.002 0.000 0.215 188 S C 1.098 175.608 174.600 -0.150 0.000 0.966 188 S CA -0.068 58.031 58.200 -0.170 0.000 0.911 188 S CB -0.199 62.922 63.200 -0.132 0.000 0.780 188 S HN 0.513 nan 8.310 nan 0.000 0.514 189 Q N 2.432 122.123 119.800 -0.182 0.000 2.534 189 Q HA 0.258 4.596 4.340 -0.002 0.000 0.223 189 Q C 0.981 176.904 176.000 -0.128 0.000 1.239 189 Q CA -0.235 55.478 55.803 -0.150 0.000 0.936 189 Q CB 0.154 28.784 28.738 -0.180 0.000 1.457 189 Q HN 0.208 nan 8.270 nan 0.000 0.547 190 Q N 1.029 120.770 119.800 -0.098 0.000 2.242 190 Q HA -0.133 4.205 4.340 -0.002 0.000 0.211 190 Q C 0.151 176.111 176.000 -0.067 0.000 0.992 190 Q CA 1.251 57.008 55.803 -0.078 0.000 0.889 190 Q CB -0.549 28.153 28.738 -0.060 0.000 0.913 190 Q HN 0.562 nan 8.270 nan 0.000 0.422 191 S N -0.104 115.556 115.700 -0.067 0.000 2.455 191 S HA 0.373 4.841 4.470 -0.002 0.000 0.278 191 S C 1.059 175.622 174.600 -0.062 0.000 1.216 191 S CA 0.128 58.296 58.200 -0.054 0.000 1.055 191 S CB 0.890 64.061 63.200 -0.048 0.000 0.939 191 S HN 0.315 nan 8.310 nan 0.000 0.494 192 A N 5.087 127.879 122.820 -0.046 0.000 1.873 192 A HA -0.020 4.299 4.320 -0.002 0.000 0.215 192 A C 2.295 179.854 177.584 -0.042 0.000 1.186 192 A CA 2.118 54.130 52.037 -0.041 0.000 0.616 192 A CB -1.502 17.488 19.000 -0.018 0.000 0.823 192 A HN 0.781 nan 8.150 nan 0.000 0.442 193 T N -0.723 113.816 114.554 -0.026 0.000 2.699 193 T HA -0.169 4.179 4.350 -0.002 0.000 0.268 193 T C 2.473 177.148 174.700 -0.040 0.000 1.036 193 T CA 2.665 64.755 62.100 -0.016 0.000 1.147 193 T CB -0.390 68.480 68.868 0.004 0.000 0.862 193 T HN 0.777 nan 8.240 nan 0.000 0.446 194 Q N 1.146 120.916 119.800 -0.049 0.000 2.187 194 Q HA -0.007 4.331 4.340 -0.002 0.000 0.199 194 Q C 2.202 178.151 176.000 -0.084 0.000 0.957 194 Q CA 1.057 56.827 55.803 -0.056 0.000 0.857 194 Q CB -0.572 28.135 28.738 -0.052 0.000 0.929 194 Q HN 0.599 nan 8.270 nan 0.000 0.453 195 R N 0.019 120.452 120.500 -0.112 0.000 2.096 195 R HA 0.013 4.352 4.340 -0.002 0.000 0.235 195 R C 2.392 178.605 176.300 -0.146 0.000 1.127 195 R CA 1.382 57.399 56.100 -0.138 0.000 0.968 195 R CB -0.488 29.733 30.300 -0.131 0.000 0.861 195 R HN 0.479 nan 8.270 nan 0.000 0.440 196 L N 0.936 122.022 121.223 -0.229 0.000 2.005 196 L HA -0.161 4.178 4.340 -0.002 0.000 0.207 196 L C 2.327 178.713 176.870 -0.806 0.000 1.072 196 L CA 1.499 55.999 54.840 -0.566 0.000 0.744 196 L CB -0.440 41.377 42.059 -0.404 0.000 0.895 196 L HN 0.209 nan 8.230 nan 0.000 0.433 197 E N -1.004 119.007 120.200 -0.315 0.000 2.110 197 E HA -0.270 4.078 4.350 -0.002 0.000 0.193 197 E C 2.046 178.601 176.600 -0.076 0.000 0.988 197 E CA 1.074 57.416 56.400 -0.096 0.000 0.804 197 E CB -0.383 29.333 29.700 0.026 0.000 0.745 197 E HN 0.520 nan 8.360 nan 0.000 0.458 198 H N 1.433 120.391 119.070 -0.186 0.000 2.267 198 H HA -0.074 4.481 4.556 -0.002 0.000 0.297 198 H C 2.051 177.268 175.328 -0.184 0.000 1.080 198 H CA 1.973 57.915 56.048 -0.176 0.000 1.278 198 H CB -0.103 29.521 29.762 -0.230 0.000 1.365 198 H HN 0.163 nan 8.280 nan 0.000 0.489 199 A N 0.777 123.511 122.820 -0.144 0.000 1.902 199 A HA -0.153 4.166 4.320 -0.002 0.000 0.217 199 A C 2.348 179.948 177.584 0.026 0.000 1.181 199 A CA 1.573 53.548 52.037 -0.104 0.000 0.623 199 A CB -1.109 17.902 19.000 0.020 0.000 0.818 199 A HN 0.389 nan 8.150 nan 0.000 0.443 200 F N 0.903 120.888 119.950 0.059 0.000 2.161 200 F HA -0.165 4.360 4.527 -0.002 0.000 0.300 200 F C 2.304 178.109 175.800 0.010 0.000 1.089 200 F CA 1.014 59.050 58.000 0.061 0.000 1.282 200 F CB -1.045 37.949 39.000 -0.010 0.000 1.010 200 F HN 0.228 nan 8.300 nan 0.000 0.485 201 N N 0.473 119.259 118.700 0.142 0.000 2.106 201 N HA -0.126 4.612 4.740 -0.002 0.000 0.188 201 N C 2.056 177.627 175.510 0.101 0.000 1.029 201 N CA 1.136 54.273 53.050 0.146 0.000 0.848 201 N CB -0.599 38.000 38.487 0.187 0.000 1.007 201 N HN 0.202 nan 8.380 nan 0.000 0.423 202 I N 1.660 122.196 120.570 -0.057 0.000 2.163 202 I HA -0.253 3.916 4.170 -0.002 0.000 0.243 202 I C 2.258 178.425 176.117 0.083 0.000 1.085 202 I CA 1.162 62.451 61.300 -0.018 0.000 1.347 202 I CB -0.333 37.585 38.000 -0.136 0.000 1.044 202 I HN 0.078 nan 8.210 nan 0.000 0.408 203 A N -0.060 122.830 122.820 0.116 0.000 1.972 203 A HA -0.238 4.081 4.320 -0.002 0.000 0.219 203 A C 2.347 179.953 177.584 0.036 0.000 1.169 203 A CA 1.956 54.070 52.037 0.129 0.000 0.635 203 A CB -0.516 18.622 19.000 0.230 0.000 0.810 203 A HN 0.356 nan 8.150 nan 0.000 0.446 204 R N -1.358 119.102 120.500 -0.065 0.000 2.062 204 R HA -0.051 4.288 4.340 -0.002 0.000 0.226 204 R C 1.635 177.697 176.300 -0.396 0.000 1.125 204 R CA 1.876 57.780 56.100 -0.327 0.000 0.966 204 R CB -0.752 29.178 30.300 -0.616 0.000 0.861 204 R HN 0.516 nan 8.270 nan 0.000 0.433 205 Y N 0.211 120.545 120.300 0.058 0.000 2.301 205 Y HA 0.132 4.680 4.550 -0.002 0.000 0.295 205 Y C 2.216 178.146 175.900 0.049 0.000 1.119 205 Y CA 0.697 58.824 58.100 0.045 0.000 1.162 205 Y CB -0.063 38.417 38.460 0.034 0.000 1.046 205 Y HN 0.063 nan 8.280 nan 0.000 0.538 206 Q N -0.269 119.637 119.800 0.177 0.000 2.212 206 Q HA 0.107 4.446 4.340 -0.002 0.000 0.199 206 Q C 1.827 177.887 176.000 0.101 0.000 0.950 206 Q CA 0.962 56.848 55.803 0.139 0.000 0.863 206 Q CB 0.142 28.970 28.738 0.149 0.000 0.944 206 Q HN 0.494 nan 8.270 nan 0.000 0.465 207 L N -1.108 120.162 121.223 0.078 0.000 2.638 207 L HA 0.287 4.626 4.340 -0.002 0.000 0.232 207 L C 1.029 177.911 176.870 0.020 0.000 1.099 207 L CA 0.462 55.334 54.840 0.053 0.000 0.883 207 L CB 0.311 42.406 42.059 0.061 0.000 1.136 207 L HN 0.331 nan 8.230 nan 0.000 0.492 208 G N 0.785 109.587 108.800 0.003 0.000 2.157 208 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.248 208 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.248 208 G C 0.207 175.084 174.900 -0.039 0.000 0.979 208 G CA -0.395 44.694 45.100 -0.017 0.000 0.650 208 G HN 0.121 nan 8.290 nan 0.000 0.529 209 I N 1.486 122.033 120.570 -0.038 0.000 2.396 209 I HA 0.328 4.497 4.170 -0.002 0.000 0.289 209 I C 0.779 176.885 176.117 -0.018 0.000 1.056 209 I CA -1.166 60.114 61.300 -0.033 0.000 1.365 209 I CB 0.927 38.900 38.000 -0.045 0.000 1.407 209 I HN 0.306 nan 8.210 nan 0.000 0.509 210 E N 6.868 127.060 120.200 -0.013 0.000 2.415 210 E HA -0.012 4.336 4.350 -0.002 0.000 0.263 210 E C -0.313 176.309 176.600 0.036 0.000 0.995 210 E CA 0.050 56.440 56.400 -0.017 0.000 0.915 210 E CB 0.443 30.132 29.700 -0.018 0.000 0.951 210 E HN 0.281 nan 8.360 nan 0.000 0.449 211 K N 5.960 126.331 120.400 -0.048 0.000 2.054 211 K HA 0.058 4.377 4.320 -0.002 0.000 0.242 211 K C 0.611 177.077 176.600 -0.224 0.000 1.157 211 K CA -0.014 56.174 56.287 -0.165 0.000 1.079 211 K CB 0.007 32.394 32.500 -0.188 0.000 1.331 211 K HN 0.634 nan 8.250 nan 0.000 0.317 212 L N 1.492 122.596 121.223 -0.199 0.000 2.141 212 L HA -0.065 4.273 4.340 -0.002 0.000 0.209 212 L C 0.863 177.536 176.870 -0.329 0.000 1.094 212 L CA 0.949 55.675 54.840 -0.191 0.000 0.763 212 L CB -0.274 41.744 42.059 -0.068 0.000 0.908 212 L HN 0.444 nan 8.230 nan 0.000 0.437 213 L N -0.420 120.422 121.223 -0.636 0.000 2.334 213 L HA 0.376 4.715 4.340 -0.002 0.000 0.275 213 L C -0.767 175.728 176.870 -0.624 0.000 1.036 213 L CA -0.720 53.723 54.840 -0.662 0.000 0.807 213 L CB 1.390 42.889 42.059 -0.934 0.000 1.231 213 L HN -0.100 nan 8.230 nan 0.000 0.438 214 D N 1.668 121.907 120.400 -0.268 0.000 2.228 214 D HA 0.277 4.916 4.640 -0.002 0.000 0.247 214 D C -1.738 174.631 176.300 0.114 0.000 0.995 214 D CA -1.689 52.276 54.000 -0.057 0.000 0.903 214 D CB 2.107 42.891 40.800 -0.027 0.000 1.205 214 D HN 0.168 nan 8.370 nan 0.000 0.459 215 P HA -0.161 nan 4.420 nan 0.000 0.216 215 P C 1.122 178.501 177.300 0.132 0.000 1.150 215 P CA 1.242 64.484 63.100 0.236 0.000 0.843 215 P CB 0.286 32.074 31.700 0.146 0.000 0.787 216 E N -0.468 119.782 120.200 0.083 0.000 2.338 216 E HA -0.171 4.177 4.350 -0.002 0.000 0.197 216 E C 0.825 177.459 176.600 0.057 0.000 1.007 216 E CA 1.076 57.511 56.400 0.059 0.000 0.849 216 E CB -1.048 28.677 29.700 0.042 0.000 0.774 216 E HN 0.341 nan 8.360 nan 0.000 0.506 217 D N 0.959 121.387 120.400 0.048 0.000 2.317 217 D HA -0.029 4.610 4.640 -0.002 0.000 0.211 217 D C 1.925 178.264 176.300 0.065 0.000 0.966 217 D CA 0.594 54.614 54.000 0.034 0.000 0.876 217 D CB 0.390 41.178 40.800 -0.021 0.000 0.927 217 D HN 0.169 nan 8.370 nan 0.000 0.519 218 V N 0.252 120.228 119.914 0.104 0.000 2.743 218 V HA -0.024 4.094 4.120 -0.002 0.000 0.237 218 V C 0.777 176.949 176.094 0.130 0.000 1.113 218 V CA 0.211 62.599 62.300 0.147 0.000 1.141 218 V CB -0.030 31.929 31.823 0.227 0.000 0.873 218 V HN -0.057 nan 8.190 nan 0.000 0.486 219 D N 1.690 122.154 120.400 0.107 0.000 2.545 219 D HA 0.321 4.960 4.640 -0.002 0.000 0.227 219 D C -0.127 176.201 176.300 0.047 0.000 1.150 219 D CA 0.682 54.724 54.000 0.071 0.000 1.046 219 D CB -0.291 40.543 40.800 0.057 0.000 1.098 219 D HN 0.392 nan 8.370 nan 0.000 0.502 220 T N -0.162 114.415 114.554 0.039 0.000 2.893 220 T HA 0.136 4.485 4.350 -0.002 0.000 0.337 220 T C 1.206 175.892 174.700 -0.024 0.000 1.587 220 T CA -0.459 61.653 62.100 0.021 0.000 1.066 220 T CB 0.934 69.834 68.868 0.053 0.000 1.414 220 T HN 0.033 nan 8.240 nan 0.000 0.488 221 T N 2.000 116.490 114.554 -0.105 0.000 2.788 221 T HA -0.012 4.336 4.350 -0.002 0.000 0.268 221 T C 0.129 174.582 174.700 -0.410 0.000 1.044 221 T CA 1.611 63.524 62.100 -0.311 0.000 1.139 221 T CB -0.319 68.226 68.868 -0.539 0.000 0.867 221 T HN 0.583 nan 8.240 nan 0.000 0.454 222 Y N 1.599 121.927 120.300 0.046 0.000 2.837 222 Y HA 0.404 4.953 4.550 -0.003 0.000 0.356 222 Y C -2.612 173.320 175.900 0.053 0.000 1.035 222 Y CA -3.755 54.374 58.100 0.049 0.000 1.165 222 Y CB 0.199 38.681 38.460 0.037 0.000 1.147 222 Y HN 0.075 nan 8.280 nan 0.000 0.628 223 P HA 0.065 nan 4.420 nan 0.000 0.274 223 P C -0.402 176.980 177.300 0.136 0.000 1.231 223 P CA -0.364 62.820 63.100 0.140 0.000 0.790 223 P CB 1.005 32.794 31.700 0.149 0.000 0.951 224 D N 0.562 121.017 120.400 0.092 0.000 2.316 224 D HA 0.046 4.685 4.640 -0.002 0.000 0.245 224 D C 1.203 177.537 176.300 0.057 0.000 1.171 224 D CA -0.200 53.838 54.000 0.064 0.000 0.856 224 D CB 0.629 41.446 40.800 0.028 0.000 1.090 224 D HN 0.204 nan 8.370 nan 0.000 0.476 225 K N 3.393 123.837 120.400 0.074 0.000 2.009 225 K HA -0.212 4.107 4.320 -0.002 0.000 0.210 225 K C 1.370 177.977 176.600 0.011 0.000 1.049 225 K CA 1.241 57.581 56.287 0.087 0.000 0.929 225 K CB 0.137 32.705 32.500 0.113 0.000 0.714 225 K HN 0.293 nan 8.250 nan 0.000 0.440 226 K N 0.316 120.708 120.400 -0.014 0.000 2.063 226 K HA -0.105 4.213 4.320 -0.002 0.000 0.208 226 K C 2.173 178.732 176.600 -0.068 0.000 1.048 226 K CA 2.045 58.298 56.287 -0.057 0.000 0.928 226 K CB -0.072 32.402 32.500 -0.044 0.000 0.713 226 K HN 0.153 nan 8.250 nan 0.000 0.442 227 S N 1.035 116.707 115.700 -0.046 0.000 2.383 227 S HA -0.097 4.371 4.470 -0.002 0.000 0.227 227 S C 1.996 176.561 174.600 -0.058 0.000 1.026 227 S CA 1.059 59.226 58.200 -0.055 0.000 0.981 227 S CB -0.278 62.886 63.200 -0.060 0.000 0.818 227 S HN 0.186 nan 8.310 nan 0.000 0.472 228 I N 1.021 121.551 120.570 -0.066 0.000 2.202 228 I HA -0.154 4.015 4.170 -0.002 0.000 0.242 228 I C 2.348 178.385 176.117 -0.133 0.000 1.091 228 I CA 0.708 61.944 61.300 -0.106 0.000 1.368 228 I CB -0.375 37.524 38.000 -0.167 0.000 1.058 228 I HN 0.204 nan 8.210 nan 0.000 0.410 229 L N 0.694 121.794 121.223 -0.204 0.000 1.997 229 L HA -0.292 4.047 4.340 -0.002 0.000 0.216 229 L C 2.554 179.264 176.870 -0.266 0.000 1.074 229 L CA 2.122 56.708 54.840 -0.424 0.000 0.763 229 L CB -0.686 41.102 42.059 -0.451 0.000 0.890 229 L HN 0.294 nan 8.230 nan 0.000 0.434 230 M N -2.482 117.022 119.600 -0.159 0.000 2.065 230 M HA -0.302 4.177 4.480 -0.002 0.000 0.259 230 M C 2.357 178.632 176.300 -0.041 0.000 1.069 230 M CA 2.225 57.466 55.300 -0.099 0.000 1.110 230 M CB -0.575 31.985 32.600 -0.068 0.000 1.328 230 M HN 0.337 nan 8.290 nan 0.000 0.405 231 Y N 1.339 121.556 120.300 -0.139 0.000 2.145 231 Y HA -0.232 4.317 4.550 -0.002 0.000 0.286 231 Y C 2.060 177.927 175.900 -0.055 0.000 1.145 231 Y CA 1.835 59.873 58.100 -0.104 0.000 1.148 231 Y CB -0.321 38.066 38.460 -0.122 0.000 0.981 231 Y HN 0.261 nan 8.280 nan 0.000 0.507 232 I N -0.416 120.111 120.570 -0.071 0.000 2.454 232 I HA -0.255 3.913 4.170 -0.002 0.000 0.254 232 I C 2.155 178.275 176.117 0.004 0.000 1.156 232 I CA 1.615 62.905 61.300 -0.017 0.000 1.433 232 I CB -1.772 36.276 38.000 0.080 0.000 1.082 232 I HN 0.249 nan 8.210 nan 0.000 0.432 233 T N 0.526 115.020 114.554 -0.100 0.000 2.746 233 T HA -0.135 4.214 4.350 -0.002 0.000 0.267 233 T C 2.190 176.841 174.700 -0.082 0.000 1.039 233 T CA 1.746 63.772 62.100 -0.123 0.000 1.142 233 T CB -0.184 68.584 68.868 -0.167 0.000 0.866 233 T HN 0.261 nan 8.240 nan 0.000 0.444 234 S N 1.342 116.960 115.700 -0.137 0.000 2.374 234 S HA -0.042 4.426 4.470 -0.002 0.000 0.227 234 S C 2.015 176.535 174.600 -0.133 0.000 1.037 234 S CA 1.001 59.110 58.200 -0.153 0.000 1.024 234 S CB -0.517 62.527 63.200 -0.260 0.000 0.861 234 S HN 0.398 nan 8.310 nan 0.000 0.456 235 L N -0.231 120.915 121.223 -0.129 0.000 2.056 235 L HA -0.083 4.255 4.340 -0.002 0.000 0.207 235 L C 2.238 179.139 176.870 0.051 0.000 1.078 235 L CA 1.363 56.215 54.840 0.020 0.000 0.749 235 L CB -0.658 41.508 42.059 0.179 0.000 0.901 235 L HN 0.280 nan 8.230 nan 0.000 0.433 236 F N 1.229 121.034 119.950 -0.243 0.000 2.161 236 F HA -0.242 4.284 4.527 -0.003 0.000 0.300 236 F C 2.582 178.114 175.800 -0.446 0.000 1.089 236 F CA 1.566 59.116 58.000 -0.750 0.000 1.282 236 F CB -0.279 38.109 39.000 -1.019 0.000 1.010 236 F HN 0.058 nan 8.300 nan 0.000 0.485 237 Q N -0.376 119.357 119.800 -0.111 0.000 2.364 237 Q HA -0.102 4.236 4.340 -0.002 0.000 0.209 237 Q C 1.733 177.616 176.000 -0.194 0.000 0.977 237 Q CA 1.591 57.312 55.803 -0.136 0.000 0.885 237 Q CB -0.105 28.604 28.738 -0.049 0.000 0.941 237 Q HN 0.551 nan 8.270 nan 0.000 0.464 238 V N -4.014 115.795 119.914 -0.175 0.000 3.398 238 V HA 0.334 4.452 4.120 -0.002 0.000 0.298 238 V C 0.197 176.220 176.094 -0.119 0.000 1.496 238 V CA -0.247 61.978 62.300 -0.125 0.000 1.044 238 V CB 0.025 31.810 31.823 -0.064 0.000 0.880 238 V HN -0.000 nan 8.190 nan 0.000 0.443 239 L N 1.146 122.263 121.223 -0.177 0.000 2.313 239 L HA 0.665 5.004 4.340 -0.002 0.000 0.268 239 L C -2.341 174.376 176.870 -0.255 0.000 1.010 239 L CA -2.228 52.517 54.840 -0.158 0.000 0.814 239 L CB 1.922 43.914 42.059 -0.111 0.000 1.304 239 L HN -0.027 nan 8.230 nan 0.000 0.441 240 P HA 0.030 nan 4.420 nan 0.000 0.267 240 P C -1.326 175.940 177.300 -0.057 0.000 1.200 240 P CA -0.088 62.972 63.100 -0.067 0.000 0.772 240 P CB 0.252 32.022 31.700 0.118 0.000 0.855 241 Q N -0.189 119.530 119.800 -0.135 0.000 2.462 241 Q HA 0.323 4.661 4.340 -0.002 0.000 0.395 241 Q C 0.244 176.323 176.000 0.133 0.000 0.911 241 Q CA -0.453 55.224 55.803 -0.210 0.000 1.112 241 Q CB 0.151 28.439 28.738 -0.750 0.000 1.350 241 Q HN 0.521 nan 8.270 nan 0.000 0.407 242 Q N 0.919 120.904 119.800 0.308 0.000 2.296 242 Q HA 0.479 4.817 4.340 -0.002 0.000 0.263 242 Q C 0.032 176.241 176.000 0.349 0.000 1.026 242 Q CA -0.242 55.715 55.803 0.258 0.000 0.912 242 Q CB 0.522 29.383 28.738 0.204 0.000 1.198 242 Q HN 0.466 nan 8.270 nan 0.000 0.407 243 V N -1.357 118.714 119.914 0.262 0.000 3.158 243 V HA 0.948 5.066 4.120 -0.002 0.000 0.315 243 V C 0.015 176.205 176.094 0.159 0.000 1.148 243 V CA -0.714 61.738 62.300 0.253 0.000 1.042 243 V CB 2.190 34.156 31.823 0.239 0.000 1.101 243 V HN 0.722 nan 8.190 nan 0.000 0.448 244 S N 0.494 116.275 115.700 0.135 0.000 2.501 244 S HA 0.852 5.321 4.470 -0.002 0.000 0.301 244 S C -0.717 173.930 174.600 0.078 0.000 1.096 244 S CA -0.608 57.648 58.200 0.094 0.000 1.063 244 S CB 0.582 63.831 63.200 0.082 0.000 1.042 244 S HN 0.665 nan 8.310 nan 0.000 0.494 245 I N 2.361 122.967 120.570 0.059 0.000 2.865 245 I HA 0.464 4.633 4.170 -0.002 0.000 0.302 245 I C -0.240 175.899 176.117 0.037 0.000 1.140 245 I CA -0.659 60.668 61.300 0.046 0.000 1.021 245 I CB 1.940 39.964 38.000 0.040 0.000 1.233 245 I HN 0.669 nan 8.210 nan 0.000 0.427 246 E N 0.000 120.218 120.200 0.031 0.000 2.725 246 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 246 E CA 0.000 56.415 56.400 0.025 0.000 0.976 246 E CB 0.000 29.713 29.700 0.021 0.000 0.812 246 E HN 0.000 nan 8.360 nan 0.000 0.440