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 1n2z_1_A DATA FIRST_RESID 22 DATA SEQUENCE AAPRVITLSP ANTELAFAAG ITPVGVSSYS DYPPQAQKIE QVSTWQGMNL DATA SEQUENCE ERIVALKPDL VIAWRGGNAE RQVDQLASLG IKVMWVDATS IEQIANALRQ DATA SEQUENCE LAPWSPQPDK AEQAAQSLLD QYAQLKAQYA DKPKKRVFLQ FGINPPFTSG DATA SEQUENCE KESIQNQVLE VcGGENIFKD SRVPWPQVSR EQVLARSPQA IVITGGPDQI DATA SEQUENCE PKIKQYWGEQ LKIPVIPLTS DWFERASPRI ILAAQQLcNA LSQVD 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 22 A HA 0.000 nan 4.320 nan 0.000 0.244 22 A C 0.000 177.585 177.584 0.002 0.000 1.274 22 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 22 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 23 A N 0.433 123.256 122.820 0.004 0.000 2.386 23 A HA 0.656 4.976 4.320 -0.000 0.000 0.248 23 A C -2.238 175.367 177.584 0.034 0.000 1.082 23 A CA -0.845 51.200 52.037 0.014 0.000 0.789 23 A CB -0.999 18.005 19.000 0.006 0.000 1.025 23 A HN 0.550 nan 8.150 nan 0.000 0.490 24 P HA 0.154 nan 4.420 nan 0.000 0.267 24 P C -0.594 176.754 177.300 0.080 0.000 1.200 24 P CA 0.261 63.441 63.100 0.134 0.000 0.772 24 P CB 0.346 32.238 31.700 0.319 0.000 0.855 25 R N 1.512 122.046 120.500 0.056 0.000 2.202 25 R HA 0.413 4.753 4.340 -0.000 0.000 0.334 25 R C -0.750 175.527 176.300 -0.039 0.000 1.036 25 R CA -0.615 55.485 56.100 -0.000 0.000 0.878 25 R CB 0.583 30.881 30.300 -0.004 0.000 1.067 25 R HN 0.236 nan 8.270 nan 0.000 0.457 26 V N 5.438 125.305 119.914 -0.080 0.000 2.555 26 V HA 0.486 4.606 4.120 -0.000 0.000 0.302 26 V C 0.115 176.129 176.094 -0.133 0.000 1.038 26 V CA -0.756 61.458 62.300 -0.142 0.000 0.887 26 V CB 2.092 33.812 31.823 -0.171 0.000 0.991 26 V HN 0.643 nan 8.190 nan 0.000 0.434 27 I N 3.438 123.920 120.570 -0.146 0.000 2.465 27 I HA 0.521 4.691 4.170 -0.000 0.000 0.291 27 I C 0.004 176.048 176.117 -0.122 0.000 1.014 27 I CA -0.333 60.900 61.300 -0.112 0.000 1.093 27 I CB 2.539 40.482 38.000 -0.095 0.000 1.267 27 I HN 0.749 nan 8.210 nan 0.000 0.431 28 T N 4.032 118.538 114.554 -0.080 0.000 2.823 28 T HA 0.562 4.912 4.350 -0.000 0.000 0.279 28 T C 0.241 174.926 174.700 -0.026 0.000 0.998 28 T CA -0.730 61.331 62.100 -0.064 0.000 0.994 28 T CB 1.707 70.553 68.868 -0.036 0.000 0.960 28 T HN 0.445 nan 8.240 nan 0.000 0.448 29 L N 1.907 123.120 121.223 -0.017 0.000 2.769 29 L HA 0.344 4.684 4.340 -0.000 0.000 0.240 29 L C 0.811 177.745 176.870 0.107 0.000 1.163 29 L CA -0.386 54.474 54.840 0.033 0.000 0.962 29 L CB -0.167 41.898 42.059 0.010 0.000 1.258 29 L HN 0.937 nan 8.230 nan 0.000 0.513 30 S N -3.185 112.561 115.700 0.076 0.000 2.570 30 S HA 0.478 4.948 4.470 -0.000 0.000 0.270 30 S C -2.563 172.034 174.600 -0.005 0.000 1.149 30 S CA -1.040 57.202 58.200 0.071 0.000 0.837 30 S CB 2.149 65.367 63.200 0.030 0.000 1.124 30 S HN -0.283 nan 8.310 nan 0.000 0.465 31 P HA -0.025 nan 4.420 nan 0.000 0.215 31 P C 1.607 178.883 177.300 -0.040 0.000 1.153 31 P CA 2.255 65.359 63.100 0.005 0.000 0.853 31 P CB -0.124 31.584 31.700 0.013 0.000 0.788 32 A N -0.527 122.191 122.820 -0.170 0.000 1.930 32 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 32 A C 2.079 179.594 177.584 -0.115 0.000 1.175 32 A CA 1.762 53.690 52.037 -0.181 0.000 0.627 32 A CB -1.369 17.413 19.000 -0.363 0.000 0.815 32 A HN 0.123 nan 8.150 nan 0.000 0.443 33 N N -0.340 118.286 118.700 -0.124 0.000 2.331 33 N HA -0.073 4.667 4.740 -0.000 0.000 0.180 33 N C 1.617 177.123 175.510 -0.005 0.000 1.019 33 N CA 1.662 54.670 53.050 -0.070 0.000 0.881 33 N CB -0.628 37.817 38.487 -0.070 0.000 0.972 33 N HN 0.467 nan 8.380 nan 0.000 0.435 34 T N 1.081 115.659 114.554 0.039 0.000 2.777 34 T HA -0.053 4.297 4.350 -0.000 0.000 0.266 34 T C 1.622 176.466 174.700 0.240 0.000 1.040 34 T CA 0.951 63.133 62.100 0.137 0.000 1.141 34 T CB -0.035 68.929 68.868 0.160 0.000 0.868 34 T HN 0.338 nan 8.240 nan 0.000 0.444 35 E N 0.444 120.750 120.200 0.176 0.000 2.077 35 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 35 E C 2.165 178.869 176.600 0.175 0.000 0.989 35 E CA 0.722 57.254 56.400 0.219 0.000 0.800 35 E CB -0.224 29.585 29.700 0.182 0.000 0.746 35 E HN 0.217 nan 8.360 nan 0.000 0.452 36 L N 1.052 122.325 121.223 0.084 0.000 2.017 36 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 36 L C 2.271 179.170 176.870 0.049 0.000 1.073 36 L CA 1.986 56.853 54.840 0.045 0.000 0.745 36 L CB -0.643 41.412 42.059 -0.007 0.000 0.894 36 L HN 0.029 nan 8.230 nan 0.000 0.432 37 A N -1.038 121.796 122.820 0.024 0.000 1.865 37 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 37 A C 2.204 179.756 177.584 -0.053 0.000 1.191 37 A CA 2.127 54.131 52.037 -0.055 0.000 0.623 37 A CB -1.236 17.678 19.000 -0.144 0.000 0.826 37 A HN 0.432 nan 8.150 nan 0.000 0.444 38 F N 0.105 120.051 119.950 -0.006 0.000 2.134 38 F HA -0.137 4.390 4.527 -0.000 0.000 0.299 38 F C 2.767 178.570 175.800 0.005 0.000 1.097 38 F CA 1.194 59.188 58.000 -0.010 0.000 1.264 38 F CB -0.237 38.742 39.000 -0.034 0.000 1.001 38 F HN 0.265 nan 8.300 nan 0.000 0.479 39 A N -0.436 122.508 122.820 0.207 0.000 2.067 39 A HA 0.025 4.345 4.320 -0.000 0.000 0.219 39 A C 2.160 179.794 177.584 0.084 0.000 1.158 39 A CA 1.414 53.531 52.037 0.133 0.000 0.661 39 A CB -0.979 18.088 19.000 0.111 0.000 0.801 39 A HN 0.290 nan 8.150 nan 0.000 0.452 40 A N -2.120 120.737 122.820 0.062 0.000 2.218 40 A HA 0.435 4.755 4.320 -0.000 0.000 0.209 40 A C 1.687 179.289 177.584 0.030 0.000 1.168 40 A CA 1.155 53.216 52.037 0.041 0.000 0.804 40 A CB -0.564 18.455 19.000 0.033 0.000 0.834 40 A HN 1.768 nan 8.150 nan 0.000 0.482 41 G N -1.076 107.739 108.800 0.026 0.000 2.159 41 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.227 41 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.227 41 G C 0.049 174.919 174.900 -0.049 0.000 0.986 41 G CA 0.085 45.192 45.100 0.011 0.000 0.651 41 G HN 0.397 nan 8.290 nan 0.000 0.523 42 I N 1.504 122.001 120.570 -0.122 0.000 2.440 42 I HA 0.438 4.608 4.170 -0.000 0.000 0.294 42 I C 0.185 175.995 176.117 -0.512 0.000 0.995 42 I CA -0.363 60.808 61.300 -0.216 0.000 1.306 42 I CB 1.753 39.649 38.000 -0.174 0.000 1.407 42 I HN -0.007 nan 8.210 nan 0.000 0.501 43 T N 6.517 120.816 114.554 -0.426 0.000 2.874 43 T HA 0.330 4.680 4.350 -0.000 0.000 0.321 43 T C -2.316 172.161 174.700 -0.372 0.000 1.075 43 T CA -1.222 60.541 62.100 -0.562 0.000 0.966 43 T CB 0.806 69.545 68.868 -0.215 0.000 1.001 43 T HN 0.276 nan 8.240 nan 0.000 0.476 44 P HA 0.051 nan 4.420 nan 0.000 0.268 44 P C 1.011 178.249 177.300 -0.103 0.000 1.208 44 P CA -0.384 62.591 63.100 -0.208 0.000 0.777 44 P CB 0.577 32.179 31.700 -0.162 0.000 0.875 45 V N -0.831 119.040 119.914 -0.072 0.000 3.647 45 V HA 0.521 4.641 4.120 -0.000 0.000 0.279 45 V C 0.601 176.681 176.094 -0.023 0.000 1.314 45 V CA 0.670 62.947 62.300 -0.038 0.000 1.125 45 V CB -0.466 31.335 31.823 -0.035 0.000 0.907 45 V HN 0.616 nan 8.190 nan 0.000 0.434 46 G N -0.143 108.642 108.800 -0.026 0.000 2.768 46 G HA2 0.607 4.567 3.960 -0.000 0.000 0.297 46 G HA3 0.607 4.567 3.960 -0.000 0.000 0.297 46 G C -1.255 173.643 174.900 -0.003 0.000 1.430 46 G CA 0.161 45.255 45.100 -0.011 0.000 1.030 46 G HN 1.009 nan 8.290 nan 0.000 0.553 47 V N -1.109 118.817 119.914 0.021 0.000 3.084 47 V HA 0.986 5.106 4.120 -0.000 0.000 0.311 47 V C 0.303 176.424 176.094 0.044 0.000 1.311 47 V CA -0.167 62.156 62.300 0.039 0.000 1.062 47 V CB 1.254 33.122 31.823 0.076 0.000 1.113 47 V HN 1.563 nan 8.190 nan 0.000 0.468 48 S N 0.181 115.920 115.700 0.064 0.000 2.747 48 S HA 0.696 5.166 4.470 -0.000 0.000 0.300 48 S C 0.204 174.866 174.600 0.104 0.000 1.121 48 S CA 0.084 58.336 58.200 0.086 0.000 0.995 48 S CB 1.258 64.523 63.200 0.108 0.000 1.113 48 S HN 2.156 nan 8.310 nan 0.000 0.547 49 S N -0.171 115.615 115.700 0.144 0.000 2.573 49 S HA 0.268 4.738 4.470 -0.000 0.000 0.277 49 S C -0.254 174.513 174.600 0.278 0.000 1.346 49 S CA -0.123 58.175 58.200 0.164 0.000 1.034 49 S CB -0.904 62.451 63.200 0.259 0.000 0.879 49 S HN 1.162 nan 8.310 nan 0.000 0.528 50 Y N -0.761 119.549 120.300 0.016 0.000 4.881 50 Y HA -0.225 4.325 4.550 -0.000 0.000 0.241 50 Y C 1.006 176.912 175.900 0.010 0.000 0.985 50 Y CA 0.800 58.901 58.100 0.003 0.000 1.976 50 Y CB -2.381 36.069 38.460 -0.017 0.000 1.528 50 Y HN 0.686 nan 8.280 nan 0.000 0.581 51 S N 1.779 117.542 115.700 0.105 0.000 4.139 51 S HA 0.087 4.557 4.470 -0.000 0.000 0.215 51 S C 0.822 175.448 174.600 0.044 0.000 1.390 51 S CA 0.196 58.448 58.200 0.086 0.000 0.885 51 S CB -0.202 63.050 63.200 0.086 0.000 1.560 51 S HN 0.435 nan 8.310 nan 0.000 0.449 52 D N 0.304 120.736 120.400 0.053 0.000 2.340 52 D HA 0.022 4.662 4.640 -0.000 0.000 0.217 52 D C -0.044 176.286 176.300 0.051 0.000 1.081 52 D CA -0.142 53.871 54.000 0.022 0.000 0.842 52 D CB -0.028 40.779 40.800 0.011 0.000 0.934 52 D HN 0.493 nan 8.370 nan 0.000 0.511 53 Y N 0.903 121.160 120.300 -0.072 0.000 2.457 53 Y HA 0.407 4.957 4.550 -0.000 0.000 0.343 53 Y C -2.666 173.114 175.900 -0.199 0.000 0.994 53 Y CA -2.138 55.897 58.100 -0.109 0.000 1.031 53 Y CB 2.254 40.695 38.460 -0.032 0.000 1.246 53 Y HN -0.258 nan 8.280 nan 0.000 0.449 54 P HA 0.200 nan 4.420 nan 0.000 0.275 54 P C -2.468 174.396 177.300 -0.726 0.000 1.266 54 P CA -1.168 61.076 63.100 -1.426 0.000 0.793 54 P CB 0.784 31.757 31.700 -1.211 0.000 1.074 55 P HA -0.227 nan 4.420 nan 0.000 0.216 55 P C 1.798 178.948 177.300 -0.250 0.000 1.154 55 P CA 1.982 64.924 63.100 -0.263 0.000 0.865 55 P CB -0.351 31.241 31.700 -0.179 0.000 0.789 56 Q N -0.609 119.000 119.800 -0.317 0.000 2.364 56 Q HA -0.088 4.252 4.340 -0.000 0.000 0.209 56 Q C 1.826 177.725 176.000 -0.169 0.000 0.977 56 Q CA 1.866 57.544 55.803 -0.209 0.000 0.885 56 Q CB -1.175 27.470 28.738 -0.154 0.000 0.941 56 Q HN 0.181 nan 8.270 nan 0.000 0.464 57 A N 1.274 123.897 122.820 -0.328 0.000 2.066 57 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 57 A C 2.026 179.593 177.584 -0.029 0.000 1.157 57 A CA 0.945 52.918 52.037 -0.107 0.000 0.670 57 A CB -0.327 18.572 19.000 -0.169 0.000 0.804 57 A HN 0.459 nan 8.150 nan 0.000 0.453 58 Q N -0.118 119.638 119.800 -0.073 0.000 2.364 58 Q HA -0.161 4.179 4.340 -0.000 0.000 0.209 58 Q C 1.590 177.576 176.000 -0.024 0.000 0.977 58 Q CA 1.501 57.276 55.803 -0.046 0.000 0.885 58 Q CB -0.138 28.564 28.738 -0.060 0.000 0.941 58 Q HN 0.897 nan 8.270 nan 0.000 0.464 59 K N -0.267 120.126 120.400 -0.013 0.000 2.374 59 K HA 0.168 4.488 4.320 -0.000 0.000 0.196 59 K C 0.218 176.827 176.600 0.016 0.000 1.023 59 K CA -0.018 56.268 56.287 -0.001 0.000 1.103 59 K CB 0.400 32.899 32.500 -0.002 0.000 0.848 59 K HN 0.032 nan 8.250 nan 0.000 0.528 60 I N 2.809 123.398 120.570 0.033 0.000 2.428 60 I HA 0.042 4.212 4.170 -0.000 0.000 0.289 60 I C 0.417 176.550 176.117 0.026 0.000 1.019 60 I CA -0.765 60.559 61.300 0.041 0.000 1.351 60 I CB 1.168 39.215 38.000 0.078 0.000 1.412 60 I HN 0.262 nan 8.210 nan 0.000 0.513 61 E N 6.188 126.398 120.200 0.017 0.000 2.502 61 E HA -0.053 4.297 4.350 -0.000 0.000 0.261 61 E C -0.780 175.829 176.600 0.015 0.000 0.974 61 E CA -0.028 56.378 56.400 0.011 0.000 0.936 61 E CB 0.600 30.304 29.700 0.006 0.000 0.926 61 E HN 0.477 nan 8.360 nan 0.000 0.459 62 Q N 2.690 122.499 119.800 0.015 0.000 2.278 62 Q HA 0.234 4.574 4.340 -0.000 0.000 0.257 62 Q C 0.275 176.288 176.000 0.020 0.000 0.928 62 Q CA -0.408 55.408 55.803 0.023 0.000 0.932 62 Q CB 1.817 30.570 28.738 0.026 0.000 1.221 62 Q HN 0.606 nan 8.270 nan 0.000 0.434 63 V N -1.415 118.512 119.914 0.021 0.000 3.346 63 V HA 0.398 4.518 4.120 -0.000 0.000 0.309 63 V C -0.033 176.074 176.094 0.021 0.000 1.457 63 V CA -0.208 62.100 62.300 0.014 0.000 1.069 63 V CB 1.060 32.883 31.823 -0.001 0.000 0.944 63 V HN 0.487 nan 8.190 nan 0.000 0.449 64 S N 0.415 116.140 115.700 0.041 0.000 2.550 64 S HA 0.807 5.276 4.470 -0.000 0.000 0.270 64 S C -0.403 174.254 174.600 0.096 0.000 1.145 64 S CA 0.477 58.711 58.200 0.057 0.000 0.852 64 S CB 2.189 65.422 63.200 0.055 0.000 1.119 64 S HN 1.101 nan 8.310 nan 0.000 0.465 65 T N -0.048 114.574 114.554 0.114 0.000 2.681 65 T HA 0.434 4.784 4.350 -0.000 0.000 0.296 65 T C 0.163 174.994 174.700 0.218 0.000 1.157 65 T CA -0.523 61.684 62.100 0.178 0.000 1.025 65 T CB 0.308 69.276 68.868 0.166 0.000 1.441 65 T HN 0.721 nan 8.240 nan 0.000 0.504 66 W N 1.063 122.384 121.300 0.035 0.000 2.374 66 W HA 0.001 4.660 4.660 -0.000 0.000 0.288 66 W C 2.106 178.611 176.519 -0.023 0.000 1.218 66 W CA 1.535 58.872 57.345 -0.014 0.000 1.245 66 W CB -0.564 28.870 29.460 -0.042 0.000 1.126 66 W HN 0.657 nan 8.180 nan 0.000 0.545 67 Q N 0.051 119.851 119.800 -0.001 0.000 2.224 67 Q HA 0.160 4.500 4.340 -0.000 0.000 0.203 67 Q C 1.180 177.112 176.000 -0.114 0.000 0.970 67 Q CA 1.643 57.346 55.803 -0.166 0.000 0.865 67 Q CB -0.347 28.344 28.738 -0.079 0.000 0.922 67 Q HN 0.369 nan 8.270 nan 0.000 0.445 68 G N 0.203 108.983 108.800 -0.033 0.000 2.356 68 G HA2 0.225 4.185 3.960 -0.000 0.000 0.266 68 G HA3 0.225 4.185 3.960 -0.000 0.000 0.266 68 G C -1.310 173.595 174.900 0.008 0.000 1.312 68 G CA -0.258 44.827 45.100 -0.025 0.000 0.922 68 G HN 0.139 nan 8.290 nan 0.000 0.480 69 M N -0.825 118.775 119.600 0.000 0.000 2.631 69 M HA 0.700 5.179 4.480 -0.000 0.000 0.288 69 M C -1.391 174.908 176.300 -0.002 0.000 1.260 69 M CA -1.048 54.255 55.300 0.006 0.000 0.842 69 M CB 2.411 35.012 32.600 0.002 0.000 1.743 69 M HN 0.427 nan 8.290 nan 0.000 0.461 70 N N 2.198 120.898 118.700 -0.000 0.000 2.767 70 N HA 0.312 5.052 4.740 -0.000 0.000 0.238 70 N C 0.377 175.881 175.510 -0.009 0.000 1.083 70 N CA -0.136 52.912 53.050 -0.004 0.000 0.964 70 N CB 0.404 38.891 38.487 -0.000 0.000 1.252 70 N HN 0.858 nan 8.380 nan 0.000 0.512 71 L N 1.309 122.526 121.223 -0.011 0.000 2.079 71 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 71 L C 2.228 179.090 176.870 -0.013 0.000 1.081 71 L CA 1.112 55.944 54.840 -0.014 0.000 0.752 71 L CB -0.144 41.908 42.059 -0.012 0.000 0.896 71 L HN 0.567 nan 8.230 nan 0.000 0.433 72 E N 0.484 120.678 120.200 -0.010 0.000 2.038 72 E HA -0.297 4.053 4.350 -0.000 0.000 0.195 72 E C 2.316 178.911 176.600 -0.009 0.000 1.000 72 E CA 1.391 57.786 56.400 -0.009 0.000 0.803 72 E CB 0.091 29.787 29.700 -0.007 0.000 0.750 72 E HN 0.155 nan 8.360 nan 0.000 0.448 73 R N 0.616 121.111 120.500 -0.009 0.000 2.090 73 R HA -0.012 4.328 4.340 -0.000 0.000 0.228 73 R C 2.220 178.512 176.300 -0.014 0.000 1.110 73 R CA 1.136 57.231 56.100 -0.009 0.000 0.973 73 R CB -0.474 29.822 30.300 -0.006 0.000 0.869 73 R HN 0.286 nan 8.270 nan 0.000 0.440 74 I N -0.410 120.149 120.570 -0.018 0.000 2.163 74 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 74 I C 1.985 178.086 176.117 -0.027 0.000 1.085 74 I CA 1.233 62.516 61.300 -0.027 0.000 1.347 74 I CB -0.266 37.712 38.000 -0.035 0.000 1.044 74 I HN -0.018 nan 8.210 nan 0.000 0.408 75 V N 0.973 120.874 119.914 -0.021 0.000 2.343 75 V HA -0.287 3.832 4.120 -0.000 0.000 0.247 75 V C 2.685 178.770 176.094 -0.014 0.000 1.051 75 V CA 1.973 64.262 62.300 -0.018 0.000 1.036 75 V CB -0.985 30.830 31.823 -0.013 0.000 0.654 75 V HN 0.511 nan 8.190 nan 0.000 0.451 76 A N -0.509 122.304 122.820 -0.012 0.000 2.019 76 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 76 A C 2.070 179.648 177.584 -0.010 0.000 1.164 76 A CA 1.443 53.474 52.037 -0.009 0.000 0.644 76 A CB -0.520 18.476 19.000 -0.008 0.000 0.805 76 A HN 0.542 nan 8.150 nan 0.000 0.449 77 L N -1.130 120.084 121.223 -0.014 0.000 2.610 77 L HA 0.020 4.360 4.340 -0.000 0.000 0.232 77 L C 0.103 176.963 176.870 -0.016 0.000 1.149 77 L CA 0.105 54.936 54.840 -0.015 0.000 0.872 77 L CB -0.300 41.747 42.059 -0.020 0.000 0.992 77 L HN 0.319 nan 8.230 nan 0.000 0.447 78 K N 0.092 120.484 120.400 -0.014 0.000 3.730 78 K HA -0.167 4.153 4.320 -0.000 0.000 0.276 78 K C -2.258 174.335 176.600 -0.012 0.000 0.904 78 K CA -0.196 56.085 56.287 -0.010 0.000 0.741 78 K CB -1.336 31.162 32.500 -0.003 0.000 1.542 78 K HN 0.259 nan 8.250 nan 0.000 0.446 79 P HA 0.061 nan 4.420 nan 0.000 0.278 79 P C -0.230 177.056 177.300 -0.023 0.000 1.238 79 P CA -0.137 62.939 63.100 -0.039 0.000 0.794 79 P CB 0.862 32.518 31.700 -0.073 0.000 0.955 80 D N 0.661 121.060 120.400 -0.002 0.000 2.327 80 D HA 0.116 4.756 4.640 -0.000 0.000 0.205 80 D C 0.334 176.606 176.300 -0.046 0.000 0.989 80 D CA 0.906 54.953 54.000 0.080 0.000 0.873 80 D CB 0.414 41.350 40.800 0.227 0.000 0.955 80 D HN 0.182 nan 8.370 nan 0.000 0.515 81 L N 0.408 121.488 121.223 -0.237 0.000 2.513 81 L HA 0.346 4.686 4.340 -0.000 0.000 0.261 81 L C -1.749 174.903 176.870 -0.362 0.000 0.945 81 L CA -0.693 53.848 54.840 -0.499 0.000 0.848 81 L CB 2.506 43.888 42.059 -1.129 0.000 1.334 81 L HN -0.363 nan 8.230 nan 0.000 0.407 82 V N 5.714 125.420 119.914 -0.347 0.000 2.487 82 V HA 0.509 4.628 4.120 -0.000 0.000 0.298 82 V C -0.149 175.737 176.094 -0.347 0.000 1.028 82 V CA -0.380 61.745 62.300 -0.292 0.000 0.860 82 V CB 1.738 33.410 31.823 -0.251 0.000 0.991 82 V HN 0.586 nan 8.190 nan 0.000 0.427 83 I N 4.844 125.241 120.570 -0.288 0.000 2.291 83 I HA 0.628 4.798 4.170 -0.000 0.000 0.290 83 I C 0.590 176.575 176.117 -0.221 0.000 1.050 83 I CA -0.039 61.105 61.300 -0.262 0.000 1.245 83 I CB 1.235 39.117 38.000 -0.195 0.000 1.405 83 I HN 0.692 nan 8.210 nan 0.000 0.478 84 A N 6.452 129.076 122.820 -0.328 0.000 2.269 84 A HA 0.693 5.013 4.320 -0.000 0.000 0.327 84 A C -1.660 175.991 177.584 0.110 0.000 1.112 84 A CA -0.373 51.495 52.037 -0.282 0.000 0.865 84 A CB 1.208 19.647 19.000 -0.935 0.000 1.227 84 A HN 0.739 nan 8.150 nan 0.000 0.498 85 W N 1.214 122.550 121.300 0.060 0.000 2.756 85 W HA 0.494 5.154 4.660 -0.000 0.000 0.333 85 W C 0.585 177.285 176.519 0.301 0.000 1.025 85 W CA -1.003 56.448 57.345 0.177 0.000 1.246 85 W CB 1.248 30.737 29.460 0.048 0.000 1.358 85 W HN 0.813 nan 8.180 nan 0.000 0.444 86 R N 2.285 122.952 120.500 0.279 0.000 2.091 86 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 86 R C 2.018 178.077 176.300 -0.402 0.000 1.136 86 R CA 1.937 58.008 56.100 -0.049 0.000 0.959 86 R CB -0.593 29.609 30.300 -0.163 0.000 0.856 86 R HN 0.724 nan 8.270 nan 0.000 0.437 87 G N -0.645 107.640 108.800 -0.858 0.000 2.443 87 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.219 87 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.219 87 G C 1.279 175.508 174.900 -1.118 0.000 1.131 87 G CA 0.814 45.344 45.100 -0.949 0.000 0.775 87 G HN 0.472 nan 8.290 nan 0.000 0.547 88 G N -0.461 107.417 108.800 -1.537 0.000 2.784 88 G HA2 0.147 4.107 3.960 -0.000 0.000 0.208 88 G HA3 0.147 4.107 3.960 -0.000 0.000 0.208 88 G C 0.386 175.160 174.900 -0.211 0.000 1.120 88 G CA -0.451 44.172 45.100 -0.795 0.000 0.774 88 G HN 0.454 nan 8.290 nan 0.000 0.528 89 N N 0.739 119.368 118.700 -0.119 0.000 2.408 89 N HA 0.536 5.276 4.740 -0.000 0.000 0.280 89 N C -0.187 175.340 175.510 0.030 0.000 1.002 89 N CA -0.591 52.471 53.050 0.022 0.000 0.907 89 N CB 2.030 40.573 38.487 0.094 0.000 1.161 89 N HN 0.132 nan 8.380 nan 0.000 0.488 90 A N 1.921 124.744 122.820 0.005 0.000 2.505 90 A HA -0.001 4.319 4.320 -0.000 0.000 0.271 90 A C 0.958 178.584 177.584 0.071 0.000 1.112 90 A CA -0.053 51.984 52.037 0.001 0.000 0.781 90 A CB -0.077 18.909 19.000 -0.023 0.000 1.059 90 A HN 0.799 nan 8.150 nan 0.000 0.508 91 E N 1.852 122.101 120.200 0.081 0.000 2.130 91 E HA -0.285 4.065 4.350 -0.000 0.000 0.196 91 E C 2.117 178.788 176.600 0.118 0.000 0.998 91 E CA 2.106 58.598 56.400 0.153 0.000 0.806 91 E CB -0.215 29.480 29.700 -0.008 0.000 0.738 91 E HN 0.884 nan 8.360 nan 0.000 0.459 92 R N 0.726 121.254 120.500 0.047 0.000 2.120 92 R HA -0.157 4.183 4.340 -0.000 0.000 0.234 92 R C 2.007 178.331 176.300 0.039 0.000 1.123 92 R CA 1.514 57.633 56.100 0.032 0.000 0.975 92 R CB -0.382 29.920 30.300 0.004 0.000 0.866 92 R HN 0.245 nan 8.270 nan 0.000 0.446 93 Q N 0.813 120.636 119.800 0.038 0.000 2.096 93 Q HA -0.005 4.335 4.340 -0.000 0.000 0.197 93 Q C 2.331 178.350 176.000 0.031 0.000 0.964 93 Q CA 1.294 57.111 55.803 0.024 0.000 0.838 93 Q CB 0.175 28.918 28.738 0.008 0.000 0.906 93 Q HN 0.200 nan 8.270 nan 0.000 0.444 94 V N 1.828 121.779 119.914 0.062 0.000 2.407 94 V HA -0.240 3.879 4.120 -0.000 0.000 0.248 94 V C 1.389 177.525 176.094 0.070 0.000 1.055 94 V CA 1.886 64.205 62.300 0.030 0.000 1.049 94 V CB -0.503 31.334 31.823 0.022 0.000 0.662 94 V HN 0.292 nan 8.190 nan 0.000 0.455 95 D N -0.244 120.238 120.400 0.137 0.000 2.218 95 D HA -0.169 4.471 4.640 -0.000 0.000 0.204 95 D C 2.320 178.656 176.300 0.060 0.000 0.976 95 D CA 0.969 55.041 54.000 0.120 0.000 0.853 95 D CB -0.212 40.652 40.800 0.107 0.000 0.939 95 D HN 0.543 nan 8.370 nan 0.000 0.481 96 Q N -0.258 119.565 119.800 0.037 0.000 2.224 96 Q HA -0.032 4.308 4.340 -0.000 0.000 0.203 96 Q C 2.309 178.314 176.000 0.009 0.000 0.970 96 Q CA 0.535 56.349 55.803 0.019 0.000 0.865 96 Q CB 0.071 28.815 28.738 0.009 0.000 0.922 96 Q HN 0.352 nan 8.270 nan 0.000 0.445 97 L N -0.023 121.200 121.223 -0.000 0.000 2.044 97 L HA -0.127 4.213 4.340 -0.000 0.000 0.205 97 L C 2.542 179.408 176.870 -0.008 0.000 1.075 97 L CA 0.927 55.756 54.840 -0.018 0.000 0.747 97 L CB -0.635 41.393 42.059 -0.052 0.000 0.903 97 L HN 0.179 nan 8.230 nan 0.000 0.435 98 A N -0.799 122.026 122.820 0.008 0.000 1.940 98 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 98 A C 2.527 180.127 177.584 0.027 0.000 1.176 98 A CA 2.106 54.158 52.037 0.025 0.000 0.631 98 A CB -0.719 18.320 19.000 0.064 0.000 0.814 98 A HN 0.362 nan 8.150 nan 0.000 0.446 99 S N -0.868 114.847 115.700 0.026 0.000 2.442 99 S HA -0.005 4.464 4.470 -0.000 0.000 0.236 99 S C 1.581 176.190 174.600 0.015 0.000 1.007 99 S CA 1.113 59.326 58.200 0.022 0.000 0.965 99 S CB -0.406 62.806 63.200 0.020 0.000 0.773 99 S HN 0.507 nan 8.310 nan 0.000 0.504 100 L N 0.076 121.305 121.223 0.010 0.000 2.558 100 L HA 0.295 4.635 4.340 -0.000 0.000 0.225 100 L C 1.712 178.587 176.870 0.008 0.000 1.128 100 L CA 0.517 55.361 54.840 0.006 0.000 0.868 100 L CB -0.070 41.989 42.059 -0.000 0.000 1.006 100 L HN 0.532 nan 8.230 nan 0.000 0.454 101 G N 0.487 109.294 108.800 0.012 0.000 2.179 101 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 101 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 101 G C 0.190 175.099 174.900 0.014 0.000 0.990 101 G CA -0.510 44.600 45.100 0.017 0.000 0.646 101 G HN 0.206 nan 8.290 nan 0.000 0.517 102 I N 1.709 122.278 120.570 -0.001 0.000 2.416 102 I HA 0.233 4.403 4.170 -0.000 0.000 0.288 102 I C 0.826 176.923 176.117 -0.033 0.000 1.051 102 I CA -0.375 60.913 61.300 -0.019 0.000 1.375 102 I CB 0.902 38.877 38.000 -0.042 0.000 1.407 102 I HN -0.021 nan 8.210 nan 0.000 0.516 103 K N 5.104 125.487 120.400 -0.029 0.000 2.401 103 K HA 0.376 4.696 4.320 -0.000 0.000 0.278 103 K C -0.813 175.692 176.600 -0.158 0.000 1.018 103 K CA -0.253 56.008 56.287 -0.043 0.000 0.981 103 K CB 1.087 33.605 32.500 0.030 0.000 0.933 103 K HN 0.316 nan 8.250 nan 0.000 0.477 104 V N 4.228 124.045 119.914 -0.162 0.000 2.540 104 V HA 0.332 4.452 4.120 -0.000 0.000 0.302 104 V C -0.501 175.413 176.094 -0.300 0.000 1.035 104 V CA -0.851 61.259 62.300 -0.316 0.000 0.873 104 V CB 1.710 33.284 31.823 -0.416 0.000 0.992 104 V HN 0.778 nan 8.190 nan 0.000 0.428 105 M N 4.868 124.246 119.600 -0.371 0.000 2.114 105 M HA 0.472 4.952 4.480 -0.000 0.000 0.332 105 M C -1.777 174.385 176.300 -0.231 0.000 1.014 105 M CA -0.339 54.832 55.300 -0.216 0.000 0.956 105 M CB 1.062 33.530 32.600 -0.219 0.000 1.551 105 M HN 0.691 nan 8.290 nan 0.000 0.427 106 W N 4.869 126.165 121.300 -0.006 0.000 2.351 106 W HA 0.525 5.185 4.660 -0.000 0.000 0.311 106 W C -0.891 175.652 176.519 0.039 0.000 1.168 106 W CA -0.562 56.798 57.345 0.025 0.000 1.200 106 W CB 1.216 30.693 29.460 0.028 0.000 1.221 106 W HN 0.290 nan 8.180 nan 0.000 0.519 107 V N 4.540 124.636 119.914 0.302 0.000 2.376 107 V HA 0.234 4.354 4.120 -0.000 0.000 0.287 107 V C -0.562 175.701 176.094 0.281 0.000 1.015 107 V CA -0.818 61.601 62.300 0.198 0.000 0.834 107 V CB 1.433 33.299 31.823 0.073 0.000 1.001 107 V HN 0.488 nan 8.190 nan 0.000 0.428 108 D N 4.013 124.555 120.400 0.237 0.000 2.938 108 D HA 0.289 4.929 4.640 -0.000 0.000 0.369 108 D C 0.545 176.939 176.300 0.157 0.000 1.301 108 D CA -0.093 54.069 54.000 0.271 0.000 0.805 108 D CB 1.684 42.618 40.800 0.223 0.000 1.161 108 D HN 0.612 nan 8.370 nan 0.000 0.474 109 A N 0.915 123.788 122.820 0.089 0.000 2.548 109 A HA 0.270 4.590 4.320 -0.000 0.000 0.247 109 A C 1.370 178.984 177.584 0.050 0.000 1.067 109 A CA 0.332 52.394 52.037 0.043 0.000 0.757 109 A CB 0.083 19.079 19.000 -0.007 0.000 0.996 109 A HN 0.244 nan 8.150 nan 0.000 0.504 110 T N -0.935 113.650 114.554 0.051 0.000 3.132 110 T HA 0.458 4.808 4.350 -0.000 0.000 0.274 110 T C 0.279 174.993 174.700 0.023 0.000 1.011 110 T CA 0.409 62.546 62.100 0.062 0.000 0.899 110 T CB -0.720 68.195 68.868 0.079 0.000 1.089 110 T HN 1.564 nan 8.240 nan 0.000 0.543 111 S N -0.725 114.967 115.700 -0.013 0.000 2.588 111 S HA 0.579 5.049 4.470 -0.000 0.000 0.269 111 S C 0.318 174.849 174.600 -0.115 0.000 1.157 111 S CA -0.910 57.253 58.200 -0.061 0.000 0.824 111 S CB 0.662 63.833 63.200 -0.048 0.000 1.126 111 S HN -0.041 nan 8.310 nan 0.000 0.464 112 I N 1.415 121.845 120.570 -0.234 0.000 2.286 112 I HA -0.064 4.106 4.170 -0.000 0.000 0.248 112 I C 2.306 178.313 176.117 -0.183 0.000 1.115 112 I CA 1.452 62.582 61.300 -0.284 0.000 1.392 112 I CB -0.376 37.245 38.000 -0.631 0.000 1.065 112 I HN 0.776 nan 8.210 nan 0.000 0.418 113 E N 0.079 120.186 120.200 -0.155 0.000 2.153 113 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 113 E C 2.148 178.727 176.600 -0.035 0.000 0.988 113 E CA 0.955 57.314 56.400 -0.069 0.000 0.811 113 E CB -0.165 29.514 29.700 -0.034 0.000 0.746 113 E HN 0.519 nan 8.360 nan 0.000 0.466 114 Q N -0.324 119.456 119.800 -0.035 0.000 2.245 114 Q HA 0.005 4.345 4.340 -0.000 0.000 0.201 114 Q C 2.007 178.000 176.000 -0.012 0.000 0.955 114 Q CA 0.656 56.454 55.803 -0.009 0.000 0.870 114 Q CB 0.094 28.834 28.738 0.004 0.000 0.945 114 Q HN 0.344 nan 8.270 nan 0.000 0.461 115 I N 0.277 120.826 120.570 -0.034 0.000 2.202 115 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 115 I C 2.349 178.456 176.117 -0.017 0.000 1.091 115 I CA 0.891 62.171 61.300 -0.033 0.000 1.368 115 I CB -0.320 37.648 38.000 -0.053 0.000 1.058 115 I HN 0.142 nan 8.210 nan 0.000 0.410 116 A N 0.883 123.690 122.820 -0.021 0.000 1.933 116 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 116 A C 2.035 179.625 177.584 0.010 0.000 1.175 116 A CA 2.364 54.398 52.037 -0.004 0.000 0.628 116 A CB -0.916 18.081 19.000 -0.005 0.000 0.814 116 A HN 0.501 nan 8.150 nan 0.000 0.444 117 N N 0.136 118.843 118.700 0.011 0.000 2.120 117 N HA -0.065 4.675 4.740 -0.000 0.000 0.188 117 N C 1.716 177.246 175.510 0.033 0.000 1.024 117 N CA 1.840 54.904 53.050 0.024 0.000 0.852 117 N CB -0.336 38.166 38.487 0.026 0.000 1.003 117 N HN 0.340 nan 8.380 nan 0.000 0.424 118 A N 0.456 123.292 122.820 0.027 0.000 1.902 118 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 118 A C 2.280 179.884 177.584 0.033 0.000 1.181 118 A CA 1.006 53.061 52.037 0.030 0.000 0.623 118 A CB -0.824 18.186 19.000 0.016 0.000 0.818 118 A HN 0.373 nan 8.150 nan 0.000 0.443 119 L N -1.128 120.111 121.223 0.026 0.000 2.046 119 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 119 L C 2.874 179.771 176.870 0.047 0.000 1.077 119 L CA 1.571 56.431 54.840 0.032 0.000 0.747 119 L CB -0.429 41.645 42.059 0.026 0.000 0.896 119 L HN 0.348 nan 8.230 nan 0.000 0.432 120 R N -0.660 119.866 120.500 0.044 0.000 2.092 120 R HA -0.138 4.202 4.340 -0.000 0.000 0.231 120 R C 2.280 178.622 176.300 0.070 0.000 1.119 120 R CA 0.903 57.033 56.100 0.049 0.000 0.970 120 R CB -0.148 30.175 30.300 0.039 0.000 0.864 120 R HN 0.385 nan 8.270 nan 0.000 0.440 121 Q N 0.329 120.179 119.800 0.083 0.000 2.291 121 Q HA -0.055 4.285 4.340 -0.000 0.000 0.205 121 Q C 1.910 178.035 176.000 0.207 0.000 0.970 121 Q CA 0.952 56.830 55.803 0.125 0.000 0.876 121 Q CB 0.183 28.989 28.738 0.112 0.000 0.935 121 Q HN 0.421 nan 8.270 nan 0.000 0.455 122 L N -0.359 120.962 121.223 0.164 0.000 2.509 122 L HA 0.074 4.414 4.340 -0.000 0.000 0.222 122 L C 2.236 179.236 176.870 0.216 0.000 1.123 122 L CA 0.281 55.252 54.840 0.219 0.000 0.856 122 L CB -0.400 41.712 42.059 0.088 0.000 0.985 122 L HN 0.045 nan 8.230 nan 0.000 0.456 123 A N 1.450 124.347 122.820 0.128 0.000 1.892 123 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 123 A C -0.165 177.447 177.584 0.047 0.000 1.188 123 A CA 1.771 53.852 52.037 0.074 0.000 0.631 123 A CB -1.718 17.308 19.000 0.043 0.000 0.822 123 A HN 0.266 nan 8.150 nan 0.000 0.447 124 P HA -0.106 nan 4.420 nan 0.000 0.225 124 P C 0.409 177.563 177.300 -0.242 0.000 1.148 124 P CA 0.944 63.947 63.100 -0.161 0.000 0.779 124 P CB -0.108 31.430 31.700 -0.270 0.000 0.780 125 W N -1.140 120.145 121.300 -0.025 0.000 3.278 125 W HA 0.274 4.934 4.660 -0.000 0.000 0.308 125 W C 0.932 177.425 176.519 -0.043 0.000 1.253 125 W CA 0.007 57.332 57.345 -0.034 0.000 1.759 125 W CB 0.035 29.471 29.460 -0.040 0.000 1.093 125 W HN -0.186 nan 8.180 nan 0.000 0.648 126 S N 1.455 117.236 115.700 0.136 0.000 2.565 126 S HA 0.315 4.785 4.470 -0.000 0.000 0.290 126 S C -1.215 173.400 174.600 0.026 0.000 1.150 126 S CA -1.675 56.566 58.200 0.067 0.000 1.058 126 S CB 1.522 64.753 63.200 0.052 0.000 1.032 126 S HN -0.141 nan 8.310 nan 0.000 0.510 127 P HA 0.106 nan 4.420 nan 0.000 0.249 127 P C -0.548 176.754 177.300 0.003 0.000 1.229 127 P CA 0.395 63.496 63.100 0.002 0.000 0.788 127 P CB 0.053 31.752 31.700 -0.001 0.000 1.072 128 Q N -0.072 119.733 119.800 0.009 0.000 3.075 128 Q HA 0.233 4.573 4.340 -0.000 0.000 0.318 128 Q C -2.165 173.844 176.000 0.016 0.000 0.907 128 Q CA -1.793 54.017 55.803 0.012 0.000 0.882 128 Q CB 1.309 30.057 28.738 0.016 0.000 1.386 128 Q HN 0.087 nan 8.270 nan 0.000 0.408 129 P HA -0.217 nan 4.420 nan 0.000 0.216 129 P C 0.271 177.581 177.300 0.016 0.000 1.154 129 P CA 1.457 64.565 63.100 0.013 0.000 0.865 129 P CB 0.348 32.048 31.700 0.000 0.000 0.789 130 D N -1.011 119.397 120.400 0.013 0.000 2.178 130 D HA -0.153 4.487 4.640 -0.000 0.000 0.201 130 D C 1.895 178.207 176.300 0.020 0.000 0.980 130 D CA 0.996 55.005 54.000 0.015 0.000 0.842 130 D CB -0.378 40.429 40.800 0.012 0.000 0.948 130 D HN 0.198 nan 8.370 nan 0.000 0.472 131 K N 0.481 120.895 120.400 0.023 0.000 2.026 131 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 131 K C 2.029 178.648 176.600 0.032 0.000 1.048 131 K CA 1.237 57.541 56.287 0.028 0.000 0.929 131 K CB -0.074 32.445 32.500 0.032 0.000 0.713 131 K HN 0.095 nan 8.250 nan 0.000 0.439 132 A N 1.285 124.125 122.820 0.033 0.000 1.877 132 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 132 A C 1.890 179.493 177.584 0.032 0.000 1.186 132 A CA 1.834 53.892 52.037 0.036 0.000 0.620 132 A CB -0.551 18.475 19.000 0.043 0.000 0.822 132 A HN 0.473 nan 8.150 nan 0.000 0.443 133 E N -0.481 119.736 120.200 0.028 0.000 2.077 133 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 133 E C 2.323 178.937 176.600 0.023 0.000 0.989 133 E CA 1.446 57.861 56.400 0.025 0.000 0.800 133 E CB -0.174 29.538 29.700 0.020 0.000 0.746 133 E HN 0.738 nan 8.360 nan 0.000 0.452 134 Q N -0.002 119.812 119.800 0.023 0.000 2.119 134 Q HA -0.088 4.251 4.340 -0.000 0.000 0.201 134 Q C 2.213 178.227 176.000 0.024 0.000 0.972 134 Q CA 1.091 56.907 55.803 0.022 0.000 0.847 134 Q CB -0.079 28.672 28.738 0.021 0.000 0.903 134 Q HN 0.225 nan 8.270 nan 0.000 0.433 135 A N 1.249 124.085 122.820 0.027 0.000 1.902 135 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 135 A C 2.295 179.892 177.584 0.023 0.000 1.181 135 A CA 1.600 53.653 52.037 0.027 0.000 0.623 135 A CB -0.744 18.276 19.000 0.034 0.000 0.818 135 A HN 0.389 nan 8.150 nan 0.000 0.443 136 A N -1.114 121.720 122.820 0.023 0.000 1.873 136 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 136 A C 2.167 179.764 177.584 0.022 0.000 1.186 136 A CA 2.076 54.125 52.037 0.020 0.000 0.616 136 A CB -0.544 18.469 19.000 0.022 0.000 0.823 136 A HN 0.491 nan 8.150 nan 0.000 0.442 137 Q N 0.015 119.830 119.800 0.025 0.000 2.119 137 Q HA -0.106 4.234 4.340 -0.000 0.000 0.201 137 Q C 2.250 178.268 176.000 0.032 0.000 0.972 137 Q CA 1.940 57.760 55.803 0.028 0.000 0.847 137 Q CB -0.530 28.223 28.738 0.025 0.000 0.903 137 Q HN 0.579 nan 8.270 nan 0.000 0.433 138 S N -0.877 114.839 115.700 0.027 0.000 2.368 138 S HA -0.116 4.354 4.470 -0.000 0.000 0.225 138 S C 1.701 176.321 174.600 0.034 0.000 1.030 138 S CA 1.139 59.355 58.200 0.027 0.000 0.999 138 S CB -0.373 62.839 63.200 0.020 0.000 0.844 138 S HN 0.457 nan 8.310 nan 0.000 0.459 139 L N 1.604 122.845 121.223 0.029 0.000 2.056 139 L HA 0.105 4.444 4.340 -0.000 0.000 0.207 139 L C 2.080 178.994 176.870 0.073 0.000 1.078 139 L CA 1.661 56.521 54.840 0.033 0.000 0.749 139 L CB -0.732 41.329 42.059 0.004 0.000 0.901 139 L HN 0.387 nan 8.230 nan 0.000 0.433 140 L N -0.745 120.518 121.223 0.066 0.000 2.027 140 L HA -0.189 4.151 4.340 -0.000 0.000 0.206 140 L C 2.288 179.237 176.870 0.132 0.000 1.074 140 L CA 1.322 56.224 54.840 0.105 0.000 0.745 140 L CB -0.892 41.209 42.059 0.070 0.000 0.898 140 L HN 0.255 nan 8.230 nan 0.000 0.433 141 D N -0.449 120.002 120.400 0.084 0.000 2.117 141 D HA -0.219 4.421 4.640 -0.000 0.000 0.197 141 D C 2.182 178.523 176.300 0.068 0.000 0.987 141 D CA 1.130 55.169 54.000 0.066 0.000 0.829 141 D CB -0.090 40.735 40.800 0.042 0.000 0.961 141 D HN 0.197 nan 8.370 nan 0.000 0.460 142 Q N -0.423 119.422 119.800 0.076 0.000 2.119 142 Q HA -0.157 4.183 4.340 -0.000 0.000 0.201 142 Q C 1.948 178.009 176.000 0.100 0.000 0.972 142 Q CA 1.045 56.888 55.803 0.067 0.000 0.847 142 Q CB -0.534 28.235 28.738 0.052 0.000 0.903 142 Q HN 0.382 nan 8.270 nan 0.000 0.433 143 Y N -0.046 120.263 120.300 0.016 0.000 2.200 143 Y HA -0.084 4.466 4.550 -0.000 0.000 0.290 143 Y C 1.966 177.888 175.900 0.037 0.000 1.137 143 Y CA 1.591 59.706 58.100 0.026 0.000 1.163 143 Y CB -0.645 37.829 38.460 0.023 0.000 0.988 143 Y HN 0.168 nan 8.280 nan 0.000 0.518 144 A N 0.092 122.925 122.820 0.021 0.000 1.902 144 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 144 A C 2.277 179.816 177.584 -0.076 0.000 1.181 144 A CA 1.888 53.894 52.037 -0.052 0.000 0.623 144 A CB -0.917 18.100 19.000 0.029 0.000 0.818 144 A HN 0.659 nan 8.150 nan 0.000 0.443 145 Q N -1.134 118.647 119.800 -0.032 0.000 2.079 145 Q HA -0.152 4.188 4.340 -0.000 0.000 0.200 145 Q C 1.970 177.957 176.000 -0.022 0.000 0.974 145 Q CA 1.468 57.258 55.803 -0.022 0.000 0.840 145 Q CB -0.205 28.534 28.738 0.001 0.000 0.898 145 Q HN 0.469 nan 8.270 nan 0.000 0.430 146 L N 1.480 122.692 121.223 -0.019 0.000 2.046 146 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 146 L C 2.349 179.239 176.870 0.034 0.000 1.077 146 L CA 1.956 56.829 54.840 0.056 0.000 0.747 146 L CB -0.622 41.443 42.059 0.010 0.000 0.896 146 L HN 0.179 nan 8.230 nan 0.000 0.432 147 K N -0.935 119.352 120.400 -0.189 0.000 2.057 147 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 147 K C 1.948 178.509 176.600 -0.065 0.000 1.049 147 K CA 1.433 57.605 56.287 -0.192 0.000 0.931 147 K CB -0.169 32.116 32.500 -0.358 0.000 0.714 147 K HN 0.364 nan 8.250 nan 0.000 0.440 148 A N 0.993 123.771 122.820 -0.069 0.000 1.930 148 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 148 A C 1.949 179.488 177.584 -0.076 0.000 1.175 148 A CA 1.365 53.368 52.037 -0.056 0.000 0.627 148 A CB -0.395 18.574 19.000 -0.052 0.000 0.815 148 A HN 0.495 nan 8.150 nan 0.000 0.443 149 Q N -2.022 117.720 119.800 -0.097 0.000 2.172 149 Q HA -0.105 4.235 4.340 -0.000 0.000 0.200 149 Q C 0.551 176.273 176.000 -0.464 0.000 0.964 149 Q CA 1.349 56.984 55.803 -0.279 0.000 0.855 149 Q CB -0.110 28.419 28.738 -0.349 0.000 0.918 149 Q HN 0.875 nan 8.270 nan 0.000 0.444 150 Y N -1.448 118.822 120.300 -0.049 0.000 2.584 150 Y HA 0.381 4.931 4.550 -0.000 0.000 0.254 150 Y C 1.535 177.414 175.900 -0.035 0.000 1.177 150 Y CA -0.117 57.961 58.100 -0.037 0.000 1.216 150 Y CB 0.187 38.627 38.460 -0.034 0.000 1.172 150 Y HN 0.059 nan 8.280 nan 0.000 0.529 151 A N -0.010 122.836 122.820 0.043 0.000 1.902 151 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 151 A C 1.462 179.057 177.584 0.018 0.000 1.181 151 A CA 1.880 53.931 52.037 0.023 0.000 0.623 151 A CB -0.287 18.710 19.000 -0.006 0.000 0.818 151 A HN 0.271 nan 8.150 nan 0.000 0.443 152 D N 0.277 120.677 120.400 0.000 0.000 2.370 152 D HA 0.109 4.749 4.640 -0.000 0.000 0.230 152 D C -0.236 176.069 176.300 0.008 0.000 1.143 152 D CA 0.225 54.224 54.000 -0.001 0.000 0.834 152 D CB 0.145 40.935 40.800 -0.015 0.000 0.944 152 D HN 0.428 nan 8.370 nan 0.000 0.504 153 K N 1.742 122.159 120.400 0.029 0.000 2.201 153 K HA 0.331 4.651 4.320 -0.000 0.000 0.278 153 K C -2.415 174.204 176.600 0.032 0.000 1.027 153 K CA -1.604 54.706 56.287 0.037 0.000 0.909 153 K CB 1.115 33.663 32.500 0.078 0.000 1.062 153 K HN -0.180 nan 8.250 nan 0.000 0.465 154 P HA -0.032 nan 4.420 nan 0.000 0.265 154 P C -0.801 176.511 177.300 0.019 0.000 1.193 154 P CA 0.177 63.286 63.100 0.016 0.000 0.765 154 P CB 0.431 32.136 31.700 0.009 0.000 0.823 155 K N 2.816 123.225 120.400 0.016 0.000 2.295 155 K HA 0.234 4.553 4.320 -0.000 0.000 0.270 155 K C 0.104 176.709 176.600 0.008 0.000 1.011 155 K CA -0.087 56.210 56.287 0.016 0.000 0.953 155 K CB 0.522 33.031 32.500 0.016 0.000 0.956 155 K HN 0.347 nan 8.250 nan 0.000 0.477 156 K N 2.311 122.716 120.400 0.007 0.000 2.324 156 K HA 0.289 4.609 4.320 -0.000 0.000 0.253 156 K C -0.684 175.915 176.600 -0.001 0.000 0.932 156 K CA -0.837 55.450 56.287 -0.001 0.000 0.799 156 K CB 2.018 34.517 32.500 -0.003 0.000 1.154 156 K HN 0.344 nan 8.250 nan 0.000 0.425 157 R N 1.719 122.214 120.500 -0.009 0.000 2.401 157 R HA 0.235 4.575 4.340 -0.000 0.000 0.299 157 R C -0.425 175.877 176.300 0.005 0.000 1.064 157 R CA -0.253 55.842 56.100 -0.009 0.000 1.000 157 R CB 0.479 30.761 30.300 -0.031 0.000 0.973 157 R HN 0.241 nan 8.270 nan 0.000 0.438 158 V N 4.310 124.244 119.914 0.034 0.000 2.876 158 V HA 0.350 4.470 4.120 -0.000 0.000 0.312 158 V C -0.921 175.273 176.094 0.166 0.000 1.085 158 V CA -0.905 61.433 62.300 0.064 0.000 0.945 158 V CB 2.063 33.907 31.823 0.035 0.000 1.017 158 V HN 0.535 nan 8.190 nan 0.000 0.428 159 F N 4.837 124.797 119.950 0.016 0.000 2.388 159 F HA 0.622 5.149 4.527 -0.000 0.000 0.358 159 F C -0.492 175.368 175.800 0.099 0.000 1.122 159 F CA -1.210 56.851 58.000 0.102 0.000 1.056 159 F CB 0.952 40.009 39.000 0.095 0.000 1.155 159 F HN 0.316 nan 8.300 nan 0.000 0.461 160 L N 6.606 127.645 121.223 -0.306 0.000 2.295 160 L HA 0.314 4.654 4.340 -0.000 0.000 0.288 160 L C -0.095 176.245 176.870 -0.883 0.000 1.079 160 L CA -0.181 54.424 54.840 -0.391 0.000 0.830 160 L CB 0.709 42.801 42.059 0.055 0.000 1.200 160 L HN 0.627 nan 8.230 nan 0.000 0.438 161 Q N 3.610 122.833 119.800 -0.962 0.000 2.290 161 Q HA 0.435 4.775 4.340 -0.000 0.000 0.259 161 Q C -1.524 174.143 176.000 -0.555 0.000 0.941 161 Q CA -0.517 54.844 55.803 -0.737 0.000 0.912 161 Q CB 0.975 29.520 28.738 -0.322 0.000 1.244 161 Q HN 0.426 nan 8.270 nan 0.000 0.441 162 F N 3.081 123.052 119.950 0.034 0.000 2.430 162 F HA 0.645 5.172 4.527 -0.000 0.000 0.362 162 F C 0.609 176.466 175.800 0.096 0.000 1.103 162 F CA 0.007 58.064 58.000 0.094 0.000 1.045 162 F CB 1.817 40.919 39.000 0.170 0.000 1.276 162 F HN 0.791 nan 8.300 nan 0.000 0.444 163 G N 2.273 111.157 108.800 0.140 0.000 2.619 163 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.686 163 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.686 163 G C -0.164 174.709 174.900 -0.045 0.000 1.256 163 G CA -0.547 44.598 45.100 0.074 0.000 0.826 163 G HN 0.513 nan 8.290 nan 0.000 0.619 164 I N -0.093 120.409 120.570 -0.114 0.000 3.578 164 I HA 0.080 4.250 4.170 -0.000 0.000 0.238 164 I C 2.415 178.313 176.117 -0.366 0.000 1.080 164 I CA 0.111 61.215 61.300 -0.327 0.000 1.538 164 I CB -0.553 37.321 38.000 -0.209 0.000 1.477 164 I HN 0.630 nan 8.210 nan 0.000 0.464 165 N N 2.610 121.237 118.700 -0.123 0.000 2.004 165 N HA -0.093 4.647 4.740 -0.000 0.000 0.196 165 N C -1.894 173.613 175.510 -0.006 0.000 1.080 165 N CA 1.481 54.518 53.050 -0.022 0.000 0.881 165 N CB -1.384 37.124 38.487 0.035 0.000 1.073 165 N HN 0.100 nan 8.380 nan 0.000 0.439 166 P HA 0.347 nan 4.420 nan 0.000 0.291 166 P C -2.720 174.620 177.300 0.067 0.000 1.378 166 P CA -1.397 61.728 63.100 0.042 0.000 0.853 166 P CB 1.033 32.779 31.700 0.076 0.000 1.002 167 P HA 0.186 nan 4.420 nan 0.000 0.268 167 P C -0.695 176.665 177.300 0.100 0.000 1.204 167 P CA 0.585 63.752 63.100 0.111 0.000 0.768 167 P CB 0.227 32.019 31.700 0.152 0.000 0.842 168 F N 0.769 120.838 119.950 0.199 0.000 2.556 168 F HA 0.698 5.225 4.527 -0.000 0.000 0.327 168 F C 0.948 176.949 175.800 0.335 0.000 1.059 168 F CA -0.138 57.998 58.000 0.227 0.000 0.953 168 F CB 2.214 41.348 39.000 0.224 0.000 1.227 168 F HN 0.152 nan 8.300 nan 0.000 0.478 169 T N -0.374 114.444 114.554 0.440 0.000 2.754 169 T HA 0.497 4.847 4.350 -0.000 0.000 0.296 169 T C -1.428 173.266 174.700 -0.010 0.000 1.205 169 T CA -0.544 61.759 62.100 0.339 0.000 1.009 169 T CB 1.560 70.554 68.868 0.209 0.000 1.368 169 T HN 0.609 nan 8.240 nan 0.000 0.509 170 S N -0.136 115.386 115.700 -0.296 0.000 2.549 170 S HA 0.756 5.226 4.470 -0.000 0.000 0.297 170 S C 0.623 174.953 174.600 -0.451 0.000 1.115 170 S CA 0.043 57.632 58.200 -1.018 0.000 1.059 170 S CB 0.795 63.233 63.200 -1.270 0.000 1.046 170 S HN 1.013 nan 8.310 nan 0.000 0.506 171 G N 2.174 110.678 108.800 -0.493 0.000 2.531 171 G HA2 0.248 4.208 3.960 -0.000 0.000 0.253 171 G HA3 0.248 4.208 3.960 -0.000 0.000 0.253 171 G C 0.638 175.452 174.900 -0.142 0.000 1.439 171 G CA -0.136 44.856 45.100 -0.180 0.000 1.056 171 G HN 0.867 nan 8.290 nan 0.000 0.555 172 K N -0.748 119.618 120.400 -0.057 0.000 2.305 172 K HA 0.107 4.427 4.320 -0.000 0.000 0.199 172 K C 0.526 177.114 176.600 -0.021 0.000 1.047 172 K CA 0.828 57.102 56.287 -0.022 0.000 0.976 172 K CB 0.200 32.706 32.500 0.009 0.000 0.765 172 K HN 0.392 nan 8.250 nan 0.000 0.474 173 E N 2.499 122.681 120.200 -0.030 0.000 1.964 173 E HA 0.080 4.429 4.350 -0.000 0.000 0.264 173 E C -0.969 175.660 176.600 0.048 0.000 1.120 173 E CA -0.454 55.955 56.400 0.015 0.000 1.061 173 E CB 0.582 30.302 29.700 0.035 0.000 1.190 173 E HN 0.399 nan 8.360 nan 0.000 0.459 174 S N 0.136 115.862 115.700 0.044 0.000 2.565 174 S HA 0.234 4.704 4.470 -0.000 0.000 0.269 174 S C 0.243 174.888 174.600 0.075 0.000 1.153 174 S CA -0.842 57.429 58.200 0.118 0.000 0.835 174 S CB 1.021 64.312 63.200 0.151 0.000 1.122 174 S HN 0.221 nan 8.310 nan 0.000 0.462 175 I N 1.526 122.138 120.570 0.070 0.000 2.394 175 I HA -0.008 4.161 4.170 -0.000 0.000 0.251 175 I C 2.202 178.330 176.117 0.019 0.000 1.136 175 I CA 1.721 63.031 61.300 0.016 0.000 1.425 175 I CB -0.666 37.318 38.000 -0.027 0.000 1.079 175 I HN 0.803 nan 8.210 nan 0.000 0.425 176 Q N 0.168 119.958 119.800 -0.017 0.000 2.084 176 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 176 Q C 2.142 178.243 176.000 0.169 0.000 0.978 176 Q CA 2.045 57.808 55.803 -0.067 0.000 0.844 176 Q CB -0.609 28.038 28.738 -0.153 0.000 0.898 176 Q HN 0.624 nan 8.270 nan 0.000 0.426 177 N N -0.016 118.741 118.700 0.095 0.000 2.142 177 N HA -0.210 4.530 4.740 -0.000 0.000 0.186 177 N C 1.693 177.273 175.510 0.118 0.000 1.023 177 N CA 1.319 54.427 53.050 0.098 0.000 0.852 177 N CB -0.012 38.493 38.487 0.029 0.000 0.998 177 N HN 0.301 nan 8.380 nan 0.000 0.424 178 Q N -0.172 119.690 119.800 0.104 0.000 2.084 178 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 178 Q C 1.750 177.860 176.000 0.183 0.000 0.978 178 Q CA 1.538 57.414 55.803 0.123 0.000 0.844 178 Q CB -0.003 28.781 28.738 0.076 0.000 0.898 178 Q HN 0.273 nan 8.270 nan 0.000 0.426 179 V N 1.141 121.178 119.914 0.206 0.000 2.407 179 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 179 V C 2.310 178.526 176.094 0.203 0.000 1.055 179 V CA 1.452 63.905 62.300 0.255 0.000 1.049 179 V CB -0.588 31.442 31.823 0.345 0.000 0.662 179 V HN 0.430 nan 8.190 nan 0.000 0.455 180 L N 0.414 121.766 121.223 0.214 0.000 2.017 180 L HA -0.178 4.161 4.340 -0.000 0.000 0.208 180 L C 2.381 179.305 176.870 0.090 0.000 1.073 180 L CA 2.018 56.941 54.840 0.138 0.000 0.745 180 L CB -0.754 41.399 42.059 0.156 0.000 0.894 180 L HN 0.379 nan 8.230 nan 0.000 0.432 181 E N -1.078 119.185 120.200 0.105 0.000 2.072 181 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 181 E C 2.273 178.919 176.600 0.077 0.000 0.985 181 E CA 1.348 57.799 56.400 0.084 0.000 0.801 181 E CB -0.355 29.398 29.700 0.089 0.000 0.750 181 E HN 0.419 nan 8.360 nan 0.000 0.452 182 V N 0.588 120.563 119.914 0.102 0.000 2.594 182 V HA -0.201 3.919 4.120 -0.000 0.000 0.253 182 V C 1.711 177.814 176.094 0.015 0.000 1.069 182 V CA 1.315 63.651 62.300 0.061 0.000 1.082 182 V CB -0.159 31.713 31.823 0.083 0.000 0.680 182 V HN 0.415 nan 8.190 nan 0.000 0.469 183 c N 1.016 119.608 118.600 -0.013 0.000 2.613 183 c HA 0.489 5.059 4.570 -0.000 0.000 0.273 183 c C 1.770 175.842 174.090 -0.030 0.000 1.304 183 c CA 0.242 56.504 56.329 -0.112 0.000 1.702 183 c CB -1.282 41.125 42.510 -0.171 0.000 1.792 183 c HN 0.875 nan 8.230 nan 0.000 0.588 184 G N 0.479 109.295 108.800 0.025 0.000 2.132 184 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.228 184 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.228 184 G C 0.239 175.154 174.900 0.025 0.000 1.000 184 G CA 0.005 45.129 45.100 0.039 0.000 0.693 184 G HN 0.787 nan 8.290 nan 0.000 0.515 185 G N -1.068 107.746 108.800 0.024 0.000 2.461 185 G HA2 0.650 4.610 3.960 -0.000 0.000 0.329 185 G HA3 0.650 4.610 3.960 -0.000 0.000 0.329 185 G C -0.792 174.129 174.900 0.035 0.000 1.170 185 G CA -0.429 44.685 45.100 0.024 0.000 0.935 185 G HN 0.141 nan 8.290 nan 0.000 0.492 186 E N 0.791 121.010 120.200 0.031 0.000 2.244 186 E HA 0.124 4.474 4.350 -0.000 0.000 0.260 186 E C -0.793 175.831 176.600 0.040 0.000 0.884 186 E CA -0.845 55.573 56.400 0.031 0.000 0.777 186 E CB 1.837 31.546 29.700 0.014 0.000 1.197 186 E HN 0.473 nan 8.360 nan 0.000 0.416 187 N N 3.344 122.079 118.700 0.058 0.000 2.452 187 N HA -0.002 4.738 4.740 -0.000 0.000 0.266 187 N C 1.274 176.817 175.510 0.054 0.000 1.209 187 N CA 0.038 53.142 53.050 0.090 0.000 0.929 187 N CB 0.458 39.005 38.487 0.100 0.000 1.063 187 N HN 0.599 nan 8.380 nan 0.000 0.472 188 I N 0.234 120.828 120.570 0.041 0.000 2.916 188 I HA 0.004 4.174 4.170 -0.000 0.000 0.267 188 I C 0.140 176.050 176.117 -0.345 0.000 1.263 188 I CA 1.064 62.270 61.300 -0.158 0.000 1.471 188 I CB -0.284 37.567 38.000 -0.249 0.000 1.089 188 I HN 0.219 nan 8.210 nan 0.000 0.468 189 F N 1.197 121.202 119.950 0.091 0.000 2.708 189 F HA 0.331 4.858 4.527 -0.000 0.000 0.300 189 F C 1.929 177.743 175.800 0.024 0.000 1.118 189 F CA -0.421 57.618 58.000 0.065 0.000 1.307 189 F CB 0.140 39.203 39.000 0.105 0.000 0.986 189 F HN -0.092 nan 8.300 nan 0.000 0.522 190 K N 1.121 121.589 120.400 0.114 0.000 2.152 190 K HA -0.215 4.105 4.320 -0.000 0.000 0.206 190 K C 1.570 178.205 176.600 0.059 0.000 1.048 190 K CA 1.997 58.325 56.287 0.068 0.000 0.933 190 K CB -0.087 32.437 32.500 0.039 0.000 0.721 190 K HN 0.330 nan 8.250 nan 0.000 0.447 191 D N 0.017 120.454 120.400 0.061 0.000 2.336 191 D HA -0.065 4.575 4.640 -0.000 0.000 0.229 191 D C 0.184 176.530 176.300 0.077 0.000 1.061 191 D CA 0.036 54.068 54.000 0.053 0.000 0.875 191 D CB -0.046 40.773 40.800 0.032 0.000 0.904 191 D HN -0.024 nan 8.370 nan 0.000 0.525 192 S N 0.269 116.036 115.700 0.112 0.000 2.549 192 S HA 0.052 4.522 4.470 -0.000 0.000 0.286 192 S C 1.086 175.719 174.600 0.054 0.000 1.314 192 S CA -0.415 57.848 58.200 0.105 0.000 1.062 192 S CB 0.624 63.886 63.200 0.103 0.000 0.865 192 S HN 0.196 nan 8.310 nan 0.000 0.498 193 R N 2.555 123.085 120.500 0.049 0.000 2.297 193 R HA 0.170 4.510 4.340 -0.000 0.000 0.197 193 R C -0.336 175.982 176.300 0.031 0.000 0.943 193 R CA 0.164 56.285 56.100 0.035 0.000 1.038 193 R CB 0.235 30.554 30.300 0.032 0.000 0.957 193 R HN 0.388 nan 8.270 nan 0.000 0.484 194 V N 2.264 122.197 119.914 0.032 0.000 2.555 194 V HA 0.150 4.269 4.120 -0.000 0.000 0.302 194 V C -1.383 174.728 176.094 0.027 0.000 1.038 194 V CA -1.787 60.536 62.300 0.039 0.000 0.887 194 V CB 2.116 33.966 31.823 0.045 0.000 0.991 194 V HN -0.023 nan 8.190 nan 0.000 0.434 195 P HA -0.132 nan 4.420 nan 0.000 0.214 195 P C -0.076 177.133 177.300 -0.151 0.000 1.163 195 P CA 1.643 64.761 63.100 0.031 0.000 0.889 195 P CB 0.254 32.081 31.700 0.211 0.000 0.790 196 W N 1.530 122.857 121.300 0.045 0.000 2.104 196 W HA 0.357 5.017 4.660 -0.000 0.000 0.291 196 W C -2.298 174.308 176.519 0.145 0.000 0.936 196 W CA -1.933 55.457 57.345 0.075 0.000 1.856 196 W CB 0.395 29.875 29.460 0.033 0.000 2.036 196 W HN 0.002 nan 8.180 nan 0.000 0.393 197 P HA 0.016 nan 4.420 nan 0.000 0.275 197 P C -0.470 176.744 177.300 -0.143 0.000 1.228 197 P CA -0.066 63.039 63.100 0.008 0.000 0.786 197 P CB 1.526 33.173 31.700 -0.088 0.000 0.927 198 Q N 1.610 121.167 119.800 -0.405 0.000 2.261 198 Q HA 0.436 4.776 4.340 -0.000 0.000 0.252 198 Q C -0.570 175.187 176.000 -0.406 0.000 0.915 198 Q CA -0.639 54.658 55.803 -0.843 0.000 0.915 198 Q CB 1.013 29.165 28.738 -0.977 0.000 1.204 198 Q HN 0.409 nan 8.270 nan 0.000 0.421 199 V N 0.285 120.017 119.914 -0.303 0.000 3.074 199 V HA 0.782 4.902 4.120 -0.000 0.000 0.314 199 V C -0.403 175.654 176.094 -0.061 0.000 1.117 199 V CA -0.724 61.459 62.300 -0.194 0.000 1.014 199 V CB 1.593 33.219 31.823 -0.328 0.000 1.057 199 V HN 0.877 nan 8.190 nan 0.000 0.438 200 S N 1.359 117.057 115.700 -0.002 0.000 2.690 200 S HA 0.503 4.973 4.470 -0.000 0.000 0.291 200 S C 0.850 175.508 174.600 0.097 0.000 1.138 200 S CA -0.179 58.044 58.200 0.038 0.000 1.013 200 S CB 1.713 64.929 63.200 0.026 0.000 1.053 200 S HN 1.021 nan 8.310 nan 0.000 0.539 201 R N 0.735 121.282 120.500 0.078 0.000 2.105 201 R HA -0.131 4.208 4.340 -0.000 0.000 0.239 201 R C 1.843 178.262 176.300 0.198 0.000 1.135 201 R CA 2.018 58.203 56.100 0.142 0.000 0.967 201 R CB -0.422 29.834 30.300 -0.073 0.000 0.861 201 R HN 0.891 nan 8.270 nan 0.000 0.442 202 E N 0.063 120.323 120.200 0.099 0.000 2.077 202 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 202 E C 2.187 178.833 176.600 0.078 0.000 0.989 202 E CA 1.370 57.816 56.400 0.075 0.000 0.800 202 E CB -0.026 29.699 29.700 0.043 0.000 0.746 202 E HN 0.518 nan 8.360 nan 0.000 0.452 203 Q N 0.402 120.266 119.800 0.107 0.000 2.084 203 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 203 Q C 2.429 178.508 176.000 0.130 0.000 0.978 203 Q CA 1.360 57.254 55.803 0.151 0.000 0.844 203 Q CB -0.096 28.797 28.738 0.259 0.000 0.898 203 Q HN 0.158 nan 8.270 nan 0.000 0.426 204 V N 1.394 121.386 119.914 0.130 0.000 2.295 204 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 204 V C 2.236 178.246 176.094 -0.140 0.000 1.049 204 V CA 1.597 63.847 62.300 -0.083 0.000 1.024 204 V CB -0.573 31.090 31.823 -0.267 0.000 0.648 204 V HN 0.338 nan 8.190 nan 0.000 0.447 205 L N 0.378 121.575 121.223 -0.043 0.000 2.127 205 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 205 L C 2.478 179.308 176.870 -0.067 0.000 1.089 205 L CA 1.485 56.289 54.840 -0.060 0.000 0.757 205 L CB -0.749 41.319 42.059 0.016 0.000 0.899 205 L HN 0.367 nan 8.230 nan 0.000 0.434 206 A N -0.247 122.542 122.820 -0.051 0.000 2.239 206 A HA -0.030 4.290 4.320 -0.000 0.000 0.209 206 A C 1.887 179.412 177.584 -0.098 0.000 1.171 206 A CA 0.623 52.627 52.037 -0.056 0.000 0.768 206 A CB -0.311 18.671 19.000 -0.029 0.000 0.790 206 A HN 0.379 nan 8.150 nan 0.000 0.478 207 R N 0.023 120.433 120.500 -0.150 0.000 2.577 207 R HA 0.113 4.453 4.340 -0.000 0.000 0.344 207 R C 0.247 176.450 176.300 -0.161 0.000 1.037 207 R CA 0.567 56.549 56.100 -0.196 0.000 1.102 207 R CB 0.021 30.105 30.300 -0.359 0.000 1.313 207 R HN 0.615 nan 8.270 nan 0.000 0.561 208 S N 1.441 117.065 115.700 -0.128 0.000 3.231 208 S HA -0.108 4.362 4.470 -0.000 0.000 0.334 208 S C -1.806 172.732 174.600 -0.104 0.000 0.910 208 S CA -0.217 57.919 58.200 -0.107 0.000 1.342 208 S CB -1.294 61.859 63.200 -0.079 0.000 0.950 208 S HN 0.268 nan 8.310 nan 0.000 0.526 209 P HA 0.228 nan 4.420 nan 0.000 0.277 209 P C 0.333 177.587 177.300 -0.077 0.000 1.240 209 P CA -0.437 62.613 63.100 -0.082 0.000 0.798 209 P CB 0.760 32.419 31.700 -0.069 0.000 0.979 210 Q N 0.320 120.090 119.800 -0.050 0.000 2.396 210 Q HA 0.345 4.685 4.340 -0.000 0.000 0.209 210 Q C 0.360 176.331 176.000 -0.048 0.000 0.906 210 Q CA 0.331 56.106 55.803 -0.047 0.000 0.927 210 Q CB 0.512 29.231 28.738 -0.033 0.000 1.069 210 Q HN 0.624 nan 8.270 nan 0.000 0.523 211 A N 0.352 123.148 122.820 -0.040 0.000 2.608 211 A HA 0.631 4.951 4.320 -0.000 0.000 0.292 211 A C -1.699 175.874 177.584 -0.019 0.000 1.066 211 A CA -0.675 51.337 52.037 -0.042 0.000 0.676 211 A CB 1.152 20.130 19.000 -0.037 0.000 1.277 211 A HN 0.143 nan 8.150 nan 0.000 0.413 212 I N 1.147 121.698 120.570 -0.031 0.000 2.436 212 I HA 0.460 4.630 4.170 -0.000 0.000 0.289 212 I C -0.820 175.262 176.117 -0.059 0.000 1.010 212 I CA -0.991 60.312 61.300 0.005 0.000 1.098 212 I CB 1.982 39.997 38.000 0.024 0.000 1.266 212 I HN 0.339 nan 8.210 nan 0.000 0.434 213 V N 7.112 126.950 119.914 -0.127 0.000 2.394 213 V HA 0.503 4.623 4.120 -0.000 0.000 0.282 213 V C 0.070 176.006 176.094 -0.262 0.000 1.031 213 V CA -0.443 61.739 62.300 -0.198 0.000 0.881 213 V CB 1.590 33.271 31.823 -0.238 0.000 0.982 213 V HN 0.564 nan 8.190 nan 0.000 0.451 214 I N 2.062 122.502 120.570 -0.216 0.000 3.108 214 I HA 0.873 5.042 4.170 -0.000 0.000 0.312 214 I C -0.042 175.967 176.117 -0.180 0.000 1.095 214 I CA -0.635 60.539 61.300 -0.211 0.000 1.000 214 I CB 2.742 40.684 38.000 -0.096 0.000 1.229 214 I HN 0.582 nan 8.210 nan 0.000 0.454 215 T N 0.440 114.921 114.554 -0.123 0.000 2.794 215 T HA 0.869 5.218 4.350 -0.000 0.000 0.280 215 T C 0.105 174.778 174.700 -0.046 0.000 0.987 215 T CA -0.016 62.063 62.100 -0.035 0.000 0.993 215 T CB 1.103 70.031 68.868 0.099 0.000 0.939 215 T HN 1.609 nan 8.240 nan 0.000 0.449 216 G N 1.336 110.093 108.800 -0.072 0.000 2.291 216 G HA2 0.465 4.425 3.960 -0.000 0.000 0.249 216 G HA3 0.465 4.425 3.960 -0.000 0.000 0.249 216 G C -0.386 174.450 174.900 -0.107 0.000 1.340 216 G CA -0.306 44.745 45.100 -0.082 0.000 1.017 216 G HN 1.168 nan 8.290 nan 0.000 0.470 217 G N -1.028 107.719 108.800 -0.088 0.000 2.932 217 G HA2 0.685 4.645 3.960 -0.000 0.000 0.283 217 G HA3 0.685 4.645 3.960 -0.000 0.000 0.283 217 G C -1.601 173.264 174.900 -0.059 0.000 1.336 217 G CA -0.427 44.620 45.100 -0.088 0.000 1.056 217 G HN 0.454 nan 8.290 nan 0.000 0.522 218 P HA -0.067 nan 4.420 nan 0.000 0.217 218 P C 0.940 178.228 177.300 -0.019 0.000 1.148 218 P CA 1.057 64.138 63.100 -0.031 0.000 0.828 218 P CB 0.268 31.952 31.700 -0.027 0.000 0.783 219 D N -0.964 119.422 120.400 -0.023 0.000 2.264 219 D HA -0.117 4.523 4.640 -0.000 0.000 0.208 219 D C 1.531 177.827 176.300 -0.007 0.000 0.966 219 D CA 0.942 54.934 54.000 -0.013 0.000 0.864 219 D CB -0.339 40.450 40.800 -0.018 0.000 0.933 219 D HN 0.372 nan 8.370 nan 0.000 0.499 220 Q N -0.277 119.516 119.800 -0.013 0.000 2.320 220 Q HA 0.194 4.534 4.340 -0.000 0.000 0.201 220 Q C 1.869 177.877 176.000 0.013 0.000 0.910 220 Q CA -0.149 55.651 55.803 -0.004 0.000 0.946 220 Q CB 0.626 29.353 28.738 -0.018 0.000 1.062 220 Q HN 0.322 nan 8.270 nan 0.000 0.503 221 I N 0.799 121.379 120.570 0.016 0.000 2.406 221 I HA -0.122 4.048 4.170 -0.000 0.000 0.249 221 I C -0.923 175.231 176.117 0.061 0.000 1.122 221 I CA 0.479 61.801 61.300 0.037 0.000 1.431 221 I CB -0.869 37.145 38.000 0.024 0.000 1.087 221 I HN 0.108 nan 8.210 nan 0.000 0.424 222 P HA -0.224 nan 4.420 nan 0.000 0.215 222 P C 1.304 178.647 177.300 0.072 0.000 1.157 222 P CA 1.640 64.772 63.100 0.054 0.000 0.868 222 P CB -0.134 31.587 31.700 0.036 0.000 0.788 223 K N -0.621 119.815 120.400 0.061 0.000 2.103 223 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 223 K C 1.848 178.514 176.600 0.109 0.000 1.048 223 K CA 1.568 57.896 56.287 0.067 0.000 0.930 223 K CB -1.011 31.512 32.500 0.039 0.000 0.716 223 K HN 0.034 nan 8.250 nan 0.000 0.444 224 I N 2.123 122.769 120.570 0.127 0.000 2.252 224 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 224 I C 2.155 178.480 176.117 0.346 0.000 1.102 224 I CA 1.454 62.888 61.300 0.223 0.000 1.385 224 I CB -0.821 37.310 38.000 0.218 0.000 1.064 224 I HN 0.259 nan 8.210 nan 0.000 0.414 225 K N 0.286 120.836 120.400 0.249 0.000 2.148 225 K HA -0.203 4.117 4.320 -0.000 0.000 0.204 225 K C 2.064 178.788 176.600 0.207 0.000 1.050 225 K CA 0.936 57.369 56.287 0.243 0.000 0.942 225 K CB -0.125 32.461 32.500 0.144 0.000 0.724 225 K HN 0.369 nan 8.250 nan 0.000 0.446 226 Q N 0.017 119.911 119.800 0.157 0.000 2.119 226 Q HA -0.206 4.134 4.340 -0.000 0.000 0.201 226 Q C 1.931 177.989 176.000 0.098 0.000 0.972 226 Q CA 1.292 57.159 55.803 0.108 0.000 0.847 226 Q CB -0.084 28.704 28.738 0.084 0.000 0.903 226 Q HN 0.365 nan 8.270 nan 0.000 0.433 227 Y N -0.605 119.681 120.300 -0.023 0.000 2.145 227 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 227 Y C 1.179 176.948 175.900 -0.218 0.000 1.145 227 Y CA 1.872 59.869 58.100 -0.171 0.000 1.148 227 Y CB -0.468 37.809 38.460 -0.305 0.000 0.981 227 Y HN 0.181 nan 8.280 nan 0.000 0.507 228 W N -0.084 121.241 121.300 0.043 0.000 2.678 228 W HA 0.204 4.864 4.660 -0.000 0.000 0.256 228 W C 1.909 178.385 176.519 -0.071 0.000 1.280 228 W CA 1.003 58.317 57.345 -0.051 0.000 1.345 228 W CB -0.257 29.252 29.460 0.083 0.000 1.118 228 W HN 0.294 nan 8.180 nan 0.000 0.629 229 G N 1.400 110.277 108.800 0.127 0.000 2.148 229 G HA2 -0.467 3.493 3.960 -0.000 0.000 0.254 229 G HA3 -0.467 3.493 3.960 -0.000 0.000 0.254 229 G C 0.684 175.642 174.900 0.097 0.000 0.981 229 G CA 1.019 46.163 45.100 0.073 0.000 0.670 229 G HN 0.561 nan 8.290 nan 0.000 0.528 230 E N -1.941 118.346 120.200 0.146 0.000 3.540 230 E HA -0.527 3.823 4.350 -0.000 0.000 0.294 230 E C 1.562 178.202 176.600 0.066 0.000 0.793 230 E CA 2.612 59.074 56.400 0.103 0.000 0.971 230 E CB -1.880 27.863 29.700 0.072 0.000 1.493 230 E HN 1.164 nan 8.360 nan 0.000 0.464 231 Q N 0.580 120.420 119.800 0.067 0.000 2.197 231 Q HA -0.098 4.242 4.340 -0.000 0.000 0.207 231 Q C 0.538 176.553 176.000 0.025 0.000 0.984 231 Q CA 1.433 57.260 55.803 0.040 0.000 0.869 231 Q CB -0.071 28.691 28.738 0.040 0.000 0.906 231 Q HN 0.382 nan 8.270 nan 0.000 0.426 232 L N 3.393 124.635 121.223 0.031 0.000 2.282 232 L HA 0.225 4.565 4.340 -0.000 0.000 0.287 232 L C -0.142 176.703 176.870 -0.042 0.000 1.075 232 L CA -0.215 54.607 54.840 -0.030 0.000 0.839 232 L CB 0.626 42.629 42.059 -0.094 0.000 1.219 232 L HN 0.254 nan 8.230 nan 0.000 0.434 233 K N 5.126 125.505 120.400 -0.035 0.000 2.307 233 K HA 0.345 4.665 4.320 -0.000 0.000 0.240 233 K C -0.302 176.270 176.600 -0.046 0.000 1.214 233 K CA -0.027 56.243 56.287 -0.029 0.000 1.149 233 K CB 0.134 32.625 32.500 -0.016 0.000 1.668 233 K HN 0.670 nan 8.250 nan 0.000 0.314 234 I N -2.049 118.480 120.570 -0.069 0.000 2.785 234 I HA 0.555 4.725 4.170 -0.000 0.000 0.302 234 I C -2.706 173.375 176.117 -0.060 0.000 1.069 234 I CA -3.013 58.243 61.300 -0.073 0.000 1.045 234 I CB 1.778 39.713 38.000 -0.107 0.000 1.236 234 I HN -0.062 nan 8.210 nan 0.000 0.429 235 P HA 0.176 nan 4.420 nan 0.000 0.267 235 P C -0.910 176.366 177.300 -0.039 0.000 1.200 235 P CA -0.177 62.903 63.100 -0.035 0.000 0.772 235 P CB 0.798 32.478 31.700 -0.032 0.000 0.855 236 V N 4.773 124.673 119.914 -0.024 0.000 2.378 236 V HA 0.328 4.448 4.120 -0.000 0.000 0.288 236 V C 0.188 176.260 176.094 -0.036 0.000 1.016 236 V CA -0.373 61.916 62.300 -0.018 0.000 0.840 236 V CB 1.093 32.928 31.823 0.020 0.000 0.994 236 V HN 0.400 nan 8.190 nan 0.000 0.431 237 I N 8.273 128.806 120.570 -0.062 0.000 2.328 237 I HA 0.365 4.535 4.170 -0.000 0.000 0.287 237 I C -2.277 173.770 176.117 -0.115 0.000 1.012 237 I CA -1.832 59.417 61.300 -0.086 0.000 1.195 237 I CB 2.183 40.119 38.000 -0.106 0.000 1.350 237 I HN 0.408 nan 8.210 nan 0.000 0.464 238 P HA 0.348 nan 4.420 nan 0.000 0.293 238 P C -1.081 176.135 177.300 -0.140 0.000 1.300 238 P CA -0.290 62.742 63.100 -0.112 0.000 0.792 238 P CB 1.393 33.044 31.700 -0.081 0.000 0.925 239 L N 2.617 123.736 121.223 -0.174 0.000 2.329 239 L HA 0.366 4.706 4.340 -0.000 0.000 0.279 239 L C 0.758 177.551 176.870 -0.129 0.000 1.014 239 L CA -0.760 53.977 54.840 -0.172 0.000 0.814 239 L CB 1.640 43.490 42.059 -0.348 0.000 1.257 239 L HN 0.246 nan 8.230 nan 0.000 0.424 240 T N 1.182 115.620 114.554 -0.195 0.000 2.822 240 T HA -0.048 4.302 4.350 -0.000 0.000 0.288 240 T C 1.359 175.960 174.700 -0.166 0.000 0.991 240 T CA 0.008 61.879 62.100 -0.382 0.000 1.176 240 T CB 0.802 69.016 68.868 -1.090 0.000 0.951 240 T HN 0.721 nan 8.240 nan 0.000 0.526 241 S N 3.510 119.136 115.700 -0.124 0.000 2.359 241 S HA -0.181 4.289 4.470 -0.000 0.000 0.222 241 S C 1.833 176.453 174.600 0.033 0.000 1.038 241 S CA 1.480 59.680 58.200 0.000 0.000 1.051 241 S CB -0.311 62.875 63.200 -0.024 0.000 0.944 241 S HN 0.736 nan 8.310 nan 0.000 0.433 242 D N 0.065 120.436 120.400 -0.049 0.000 2.149 242 D HA -0.094 4.546 4.640 -0.000 0.000 0.198 242 D C 1.614 178.015 176.300 0.168 0.000 0.990 242 D CA 0.844 54.854 54.000 0.017 0.000 0.839 242 D CB -0.185 40.597 40.800 -0.029 0.000 0.948 242 D HN 0.475 nan 8.370 nan 0.000 0.460 243 W N -0.077 121.213 121.300 -0.016 0.000 2.379 243 W HA -0.024 4.636 4.660 -0.000 0.000 0.307 243 W C 2.202 178.789 176.519 0.113 0.000 1.200 243 W CA 0.006 57.356 57.345 0.008 0.000 1.297 243 W CB -1.479 27.991 29.460 0.015 0.000 1.140 243 W HN -0.020 nan 8.180 nan 0.000 0.507 244 F N 1.119 121.206 119.950 0.229 0.000 2.335 244 F HA 0.003 4.530 4.527 -0.000 0.000 0.296 244 F C 1.856 177.748 175.800 0.153 0.000 1.091 244 F CA 1.277 59.380 58.000 0.172 0.000 1.399 244 F CB -0.288 38.809 39.000 0.161 0.000 1.067 244 F HN -0.111 nan 8.300 nan 0.000 0.520 245 E N -0.093 120.166 120.200 0.097 0.000 2.479 245 E HA 0.069 4.419 4.350 -0.000 0.000 0.193 245 E C 0.114 176.613 176.600 -0.167 0.000 1.049 245 E CA 0.049 56.408 56.400 -0.069 0.000 0.870 245 E CB 0.262 29.960 29.700 -0.003 0.000 0.944 245 E HN 0.267 nan 8.360 nan 0.000 0.492 246 R N 0.766 121.196 120.500 -0.116 0.000 2.387 246 R HA 0.455 4.795 4.340 -0.000 0.000 0.314 246 R C -0.683 175.522 176.300 -0.159 0.000 0.958 246 R CA -0.485 55.510 56.100 -0.176 0.000 0.846 246 R CB 1.663 31.894 30.300 -0.114 0.000 1.147 246 R HN -0.084 nan 8.270 nan 0.000 0.447 247 A N 2.512 125.195 122.820 -0.228 0.000 2.915 247 A HA 0.333 4.652 4.320 -0.000 0.000 0.292 247 A C -0.372 177.131 177.584 -0.135 0.000 1.632 247 A CA -0.095 51.842 52.037 -0.168 0.000 1.337 247 A CB -0.379 18.510 19.000 -0.185 0.000 1.111 247 A HN 0.747 nan 8.150 nan 0.000 0.569 248 S N 0.756 116.403 115.700 -0.089 0.000 2.643 248 S HA 0.606 5.076 4.470 -0.000 0.000 0.270 248 S C -2.549 172.027 174.600 -0.040 0.000 1.166 248 S CA -1.102 57.066 58.200 -0.053 0.000 0.815 248 S CB 0.947 64.127 63.200 -0.034 0.000 1.139 248 S HN 0.075 nan 8.310 nan 0.000 0.472 249 P HA -0.150 nan 4.420 nan 0.000 0.219 249 P C 1.042 178.297 177.300 -0.075 0.000 1.153 249 P CA 1.366 64.448 63.100 -0.030 0.000 0.865 249 P CB -0.004 31.698 31.700 0.003 0.000 0.788 250 R N -1.400 119.037 120.500 -0.104 0.000 2.357 250 R HA -0.023 4.317 4.340 -0.000 0.000 0.202 250 R C 1.979 178.164 176.300 -0.192 0.000 1.047 250 R CA 0.256 56.219 56.100 -0.228 0.000 1.034 250 R CB -0.848 29.288 30.300 -0.272 0.000 0.875 250 R HN 0.236 nan 8.270 nan 0.000 0.473 251 I N 1.001 121.532 120.570 -0.065 0.000 2.423 251 I HA -0.239 3.931 4.170 -0.000 0.000 0.254 251 I C 1.816 177.936 176.117 0.005 0.000 1.151 251 I CA 1.020 62.331 61.300 0.018 0.000 1.421 251 I CB -0.071 37.935 38.000 0.011 0.000 1.079 251 I HN 0.049 nan 8.210 nan 0.000 0.431 252 I N -0.161 120.372 120.570 -0.061 0.000 2.394 252 I HA -0.239 3.931 4.170 -0.000 0.000 0.251 252 I C 2.090 178.130 176.117 -0.127 0.000 1.136 252 I CA 1.588 62.861 61.300 -0.043 0.000 1.425 252 I CB -0.243 37.733 38.000 -0.041 0.000 1.079 252 I HN 0.207 nan 8.210 nan 0.000 0.425 253 L N -0.227 120.801 121.223 -0.325 0.000 2.109 253 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 253 L C 2.614 179.353 176.870 -0.218 0.000 1.086 253 L CA 1.112 55.612 54.840 -0.567 0.000 0.760 253 L CB -0.884 40.250 42.059 -1.542 0.000 0.910 253 L HN 0.252 nan 8.230 nan 0.000 0.437 254 A N 0.126 122.966 122.820 0.032 0.000 1.930 254 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 254 A C 2.547 180.198 177.584 0.112 0.000 1.175 254 A CA 1.553 53.747 52.037 0.263 0.000 0.627 254 A CB -0.613 18.651 19.000 0.440 0.000 0.815 254 A HN 0.371 nan 8.150 nan 0.000 0.443 255 A N -0.725 122.150 122.820 0.091 0.000 1.877 255 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 255 A C 2.173 179.727 177.584 -0.050 0.000 1.186 255 A CA 2.188 54.255 52.037 0.051 0.000 0.620 255 A CB -0.576 18.487 19.000 0.106 0.000 0.822 255 A HN 0.529 nan 8.150 nan 0.000 0.443 256 Q N -0.258 119.514 119.800 -0.045 0.000 2.084 256 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 256 Q C 2.155 178.121 176.000 -0.055 0.000 0.978 256 Q CA 2.359 58.124 55.803 -0.063 0.000 0.844 256 Q CB -0.448 28.267 28.738 -0.038 0.000 0.898 256 Q HN 0.769 nan 8.270 nan 0.000 0.426 257 Q N -0.884 118.917 119.800 0.001 0.000 2.050 257 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 257 Q C 1.927 177.895 176.000 -0.053 0.000 0.980 257 Q CA 1.541 57.365 55.803 0.035 0.000 0.840 257 Q CB -0.207 28.628 28.738 0.162 0.000 0.898 257 Q HN 0.464 nan 8.270 nan 0.000 0.424 258 L N 0.168 121.329 121.223 -0.103 0.000 2.027 258 L HA -0.136 4.204 4.340 -0.000 0.000 0.206 258 L C 2.266 179.023 176.870 -0.188 0.000 1.074 258 L CA 1.615 56.358 54.840 -0.162 0.000 0.745 258 L CB -0.884 41.058 42.059 -0.195 0.000 0.898 258 L HN 0.375 nan 8.230 nan 0.000 0.433 259 c N 0.187 118.615 118.600 -0.287 0.000 2.401 259 c HA -0.168 4.402 4.570 -0.000 0.000 0.276 259 c C 2.654 176.538 174.090 -0.343 0.000 1.233 259 c CA 1.118 57.111 56.329 -0.559 0.000 1.753 259 c CB -1.373 40.424 42.510 -1.188 0.000 2.029 259 c HN 0.644 nan 8.230 nan 0.000 0.478 260 N N 0.971 119.571 118.700 -0.167 0.000 2.080 260 N HA -0.079 4.661 4.740 -0.000 0.000 0.189 260 N C 1.939 177.441 175.510 -0.013 0.000 1.036 260 N CA 1.807 54.850 53.050 -0.012 0.000 0.846 260 N CB -0.668 37.829 38.487 0.016 0.000 1.015 260 N HN 0.518 nan 8.380 nan 0.000 0.423 261 A N 0.955 123.749 122.820 -0.044 0.000 1.933 261 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 261 A C 2.211 179.770 177.584 -0.041 0.000 1.175 261 A CA 0.956 52.969 52.037 -0.040 0.000 0.628 261 A CB -0.619 18.345 19.000 -0.060 0.000 0.814 261 A HN 0.233 nan 8.150 nan 0.000 0.444 262 L N 0.769 121.957 121.223 -0.058 0.000 2.217 262 L HA -0.078 4.262 4.340 -0.000 0.000 0.211 262 L C 2.648 179.513 176.870 -0.008 0.000 1.107 262 L CA 2.271 57.085 54.840 -0.044 0.000 0.783 262 L CB -0.510 41.512 42.059 -0.062 0.000 0.919 262 L HN 0.500 nan 8.230 nan 0.000 0.442 263 S N -1.759 113.951 115.700 0.017 0.000 2.469 263 S HA -0.168 4.302 4.470 -0.000 0.000 0.238 263 S C 1.655 176.275 174.600 0.033 0.000 0.998 263 S CA 0.777 59.011 58.200 0.057 0.000 0.957 263 S CB -0.418 62.855 63.200 0.122 0.000 0.764 263 S HN 0.547 nan 8.310 nan 0.000 0.514 264 Q N 0.797 120.607 119.800 0.016 0.000 2.408 264 Q HA 0.340 4.679 4.340 -0.000 0.000 0.205 264 Q C 0.379 176.379 176.000 -0.000 0.000 0.919 264 Q CA 0.053 55.861 55.803 0.008 0.000 0.932 264 Q CB -0.249 28.491 28.738 0.005 0.000 1.058 264 Q HN 0.467 nan 8.270 nan 0.000 0.517 265 V N 3.145 123.056 119.914 -0.005 0.000 2.655 265 V HA -0.034 4.086 4.120 -0.000 0.000 0.300 265 V C 0.627 176.717 176.094 -0.008 0.000 1.044 265 V CA -0.110 62.183 62.300 -0.011 0.000 1.095 265 V CB 0.565 32.377 31.823 -0.018 0.000 0.952 265 V HN 0.143 nan 8.190 nan 0.000 0.485 266 D N 0.000 120.393 120.400 -0.012 0.000 6.856 266 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 266 D CA 0.000 53.994 54.000 -0.011 0.000 0.868 266 D CB 0.000 40.792 40.800 -0.013 0.000 0.688 266 D HN 0.000 nan 8.370 nan 0.000 0.683