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_B 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 0.000 177.586 177.584 0.003 0.000 1.274 22 A CA 0.000 52.037 52.037 -0.001 0.000 0.836 22 A CB 0.000 19.001 19.000 0.001 0.000 0.831 23 A N 0.889 123.712 122.820 0.004 0.000 2.445 23 A HA 0.616 4.936 4.320 -0.000 0.000 0.242 23 A C -2.161 175.442 177.584 0.031 0.000 1.075 23 A CA -0.680 51.365 52.037 0.012 0.000 0.777 23 A CB -0.980 18.023 19.000 0.005 0.000 1.013 23 A HN 0.560 nan 8.150 nan 0.000 0.493 24 P HA 0.115 nan 4.420 nan 0.000 0.265 24 P C -0.500 176.846 177.300 0.076 0.000 1.187 24 P CA 0.337 63.512 63.100 0.125 0.000 0.766 24 P CB 0.345 32.217 31.700 0.288 0.000 0.820 25 R N 1.630 122.163 120.500 0.055 0.000 2.216 25 R HA 0.397 4.737 4.340 -0.000 0.000 0.332 25 R C -0.738 175.542 176.300 -0.034 0.000 1.056 25 R CA -0.577 55.524 56.100 0.002 0.000 0.901 25 R CB 0.554 30.853 30.300 -0.002 0.000 1.039 25 R HN 0.239 nan 8.270 nan 0.000 0.456 26 V N 5.550 125.421 119.914 -0.072 0.000 2.555 26 V HA 0.473 4.593 4.120 -0.000 0.000 0.302 26 V C 0.104 176.122 176.094 -0.126 0.000 1.038 26 V CA -0.745 61.477 62.300 -0.130 0.000 0.887 26 V CB 2.077 33.809 31.823 -0.153 0.000 0.991 26 V HN 0.641 nan 8.190 nan 0.000 0.434 27 I N 3.592 124.079 120.570 -0.139 0.000 2.433 27 I HA 0.516 4.686 4.170 -0.000 0.000 0.292 27 I C 0.033 176.080 176.117 -0.117 0.000 1.001 27 I CA -0.325 60.911 61.300 -0.108 0.000 1.119 27 I CB 2.484 40.429 38.000 -0.093 0.000 1.289 27 I HN 0.745 nan 8.210 nan 0.000 0.438 28 T N 4.143 118.651 114.554 -0.077 0.000 2.823 28 T HA 0.560 4.910 4.350 -0.000 0.000 0.279 28 T C 0.200 174.887 174.700 -0.021 0.000 0.998 28 T CA -0.724 61.340 62.100 -0.061 0.000 0.994 28 T CB 1.589 70.435 68.868 -0.036 0.000 0.960 28 T HN 0.445 nan 8.240 nan 0.000 0.448 29 L N 2.077 123.292 121.223 -0.012 0.000 2.818 29 L HA 0.352 4.692 4.340 -0.000 0.000 0.243 29 L C 0.772 177.710 176.870 0.113 0.000 1.185 29 L CA -0.419 54.445 54.840 0.041 0.000 0.988 29 L CB -0.236 41.836 42.059 0.021 0.000 1.292 29 L HN 0.933 nan 8.230 nan 0.000 0.519 30 S N -3.239 112.507 115.700 0.076 0.000 2.550 30 S HA 0.476 4.946 4.470 -0.000 0.000 0.270 30 S C -2.572 172.021 174.600 -0.012 0.000 1.145 30 S CA -1.039 57.198 58.200 0.062 0.000 0.852 30 S CB 2.186 65.380 63.200 -0.010 0.000 1.119 30 S HN -0.273 nan 8.310 nan 0.000 0.465 31 P HA -0.021 nan 4.420 nan 0.000 0.215 31 P C 1.602 178.876 177.300 -0.044 0.000 1.153 31 P CA 2.171 65.272 63.100 0.002 0.000 0.853 31 P CB -0.105 31.599 31.700 0.007 0.000 0.788 32 A N -0.378 122.337 122.820 -0.175 0.000 1.898 32 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 32 A C 2.109 179.624 177.584 -0.115 0.000 1.181 32 A CA 1.813 53.739 52.037 -0.184 0.000 0.620 32 A CB -1.460 17.321 19.000 -0.365 0.000 0.819 32 A HN 0.115 nan 8.150 nan 0.000 0.442 33 N N -0.224 118.399 118.700 -0.130 0.000 2.244 33 N HA -0.088 4.652 4.740 -0.000 0.000 0.183 33 N C 1.641 177.145 175.510 -0.009 0.000 1.016 33 N CA 1.742 54.749 53.050 -0.072 0.000 0.866 33 N CB -0.705 37.740 38.487 -0.070 0.000 0.980 33 N HN 0.486 nan 8.380 nan 0.000 0.430 34 T N 1.100 115.675 114.554 0.036 0.000 2.777 34 T HA -0.061 4.289 4.350 -0.000 0.000 0.266 34 T C 1.610 176.454 174.700 0.240 0.000 1.040 34 T CA 0.958 63.138 62.100 0.134 0.000 1.141 34 T CB -0.054 68.915 68.868 0.168 0.000 0.868 34 T HN 0.358 nan 8.240 nan 0.000 0.444 35 E N 0.410 120.714 120.200 0.174 0.000 2.106 35 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 35 E C 2.089 178.787 176.600 0.163 0.000 0.984 35 E CA 0.649 57.174 56.400 0.209 0.000 0.806 35 E CB -0.160 29.637 29.700 0.162 0.000 0.750 35 E HN 0.214 nan 8.360 nan 0.000 0.458 36 L N 0.874 122.143 121.223 0.077 0.000 2.046 36 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 36 L C 2.291 179.184 176.870 0.039 0.000 1.077 36 L CA 1.789 56.653 54.840 0.039 0.000 0.747 36 L CB -0.940 41.114 42.059 -0.009 0.000 0.896 36 L HN 0.029 nan 8.230 nan 0.000 0.432 37 A N -1.250 121.577 122.820 0.013 0.000 1.858 37 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 37 A C 2.228 179.762 177.584 -0.083 0.000 1.190 37 A CA 1.831 53.823 52.037 -0.074 0.000 0.617 37 A CB -1.070 17.828 19.000 -0.170 0.000 0.827 37 A HN 0.354 nan 8.150 nan 0.000 0.443 38 F N 0.165 120.112 119.950 -0.004 0.000 2.171 38 F HA -0.124 4.403 4.527 -0.000 0.000 0.300 38 F C 2.783 178.585 175.800 0.003 0.000 1.090 38 F CA 1.128 59.123 58.000 -0.008 0.000 1.293 38 F CB -0.260 38.724 39.000 -0.026 0.000 1.013 38 F HN 0.265 nan 8.300 nan 0.000 0.486 39 A N -0.271 122.663 122.820 0.190 0.000 2.019 39 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 39 A C 2.192 179.820 177.584 0.075 0.000 1.164 39 A CA 1.508 53.616 52.037 0.119 0.000 0.644 39 A CB -1.052 18.005 19.000 0.096 0.000 0.805 39 A HN 0.287 nan 8.150 nan 0.000 0.449 40 A N -1.979 120.873 122.820 0.053 0.000 2.251 40 A HA 0.423 4.743 4.320 -0.000 0.000 0.209 40 A C 1.704 179.303 177.584 0.025 0.000 1.187 40 A CA 1.149 53.208 52.037 0.035 0.000 0.823 40 A CB -0.778 18.239 19.000 0.030 0.000 0.846 40 A HN 1.839 nan 8.150 nan 0.000 0.486 41 G N -1.044 107.770 108.800 0.023 0.000 2.141 41 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.231 41 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.231 41 G C 0.036 174.908 174.900 -0.045 0.000 0.984 41 G CA 0.191 45.298 45.100 0.012 0.000 0.660 41 G HN 0.435 nan 8.290 nan 0.000 0.525 42 I N 1.241 121.739 120.570 -0.119 0.000 2.428 42 I HA 0.445 4.615 4.170 -0.000 0.000 0.296 42 I C 0.195 176.013 176.117 -0.498 0.000 0.985 42 I CA -0.452 60.723 61.300 -0.210 0.000 1.260 42 I CB 1.836 39.736 38.000 -0.167 0.000 1.389 42 I HN -0.006 nan 8.210 nan 0.000 0.484 43 T N 6.424 120.733 114.554 -0.408 0.000 2.947 43 T HA 0.333 4.683 4.350 -0.000 0.000 0.337 43 T C -2.328 172.159 174.700 -0.355 0.000 1.139 43 T CA -1.230 60.549 62.100 -0.535 0.000 0.992 43 T CB 0.778 69.533 68.868 -0.189 0.000 1.043 43 T HN 0.273 nan 8.240 nan 0.000 0.498 44 P HA 0.053 nan 4.420 nan 0.000 0.268 44 P C 1.010 178.253 177.300 -0.096 0.000 1.208 44 P CA -0.384 62.595 63.100 -0.202 0.000 0.777 44 P CB 0.573 32.175 31.700 -0.164 0.000 0.875 45 V N -0.888 118.986 119.914 -0.066 0.000 3.647 45 V HA 0.506 4.626 4.120 -0.000 0.000 0.279 45 V C 0.651 176.733 176.094 -0.020 0.000 1.314 45 V CA 0.637 62.917 62.300 -0.034 0.000 1.125 45 V CB -0.459 31.345 31.823 -0.032 0.000 0.907 45 V HN 0.618 nan 8.190 nan 0.000 0.434 46 G N -0.085 108.701 108.800 -0.023 0.000 2.755 46 G HA2 0.621 4.581 3.960 -0.000 0.000 0.297 46 G HA3 0.621 4.581 3.960 -0.000 0.000 0.297 46 G C -1.259 173.640 174.900 -0.002 0.000 1.441 46 G CA 0.145 45.239 45.100 -0.010 0.000 0.964 46 G HN 0.947 nan 8.290 nan 0.000 0.540 47 V N -1.166 118.761 119.914 0.021 0.000 3.105 47 V HA 0.978 5.098 4.120 -0.000 0.000 0.311 47 V C 0.303 176.423 176.094 0.043 0.000 1.287 47 V CA -0.243 62.080 62.300 0.039 0.000 1.066 47 V CB 1.255 33.124 31.823 0.076 0.000 1.105 47 V HN 1.515 nan 8.190 nan 0.000 0.462 48 S N 0.283 116.020 115.700 0.062 0.000 2.747 48 S HA 0.678 5.148 4.470 -0.000 0.000 0.300 48 S C 0.229 174.883 174.600 0.090 0.000 1.121 48 S CA 0.097 58.346 58.200 0.083 0.000 0.995 48 S CB 1.261 64.527 63.200 0.110 0.000 1.113 48 S HN 2.141 nan 8.310 nan 0.000 0.547 49 S N -0.005 115.764 115.700 0.114 0.000 2.573 49 S HA 0.238 4.708 4.470 -0.000 0.000 0.277 49 S C -0.192 174.519 174.600 0.186 0.000 1.346 49 S CA -0.073 58.171 58.200 0.073 0.000 1.034 49 S CB -0.952 62.317 63.200 0.114 0.000 0.879 49 S HN 1.174 nan 8.310 nan 0.000 0.528 50 Y N -0.856 119.452 120.300 0.012 0.000 4.916 50 Y HA -0.234 4.316 4.550 -0.000 0.000 0.247 50 Y C 0.989 176.895 175.900 0.010 0.000 0.962 50 Y CA 0.790 58.890 58.100 -0.001 0.000 1.933 50 Y CB -2.341 36.105 38.460 -0.023 0.000 1.451 50 Y HN 0.682 nan 8.280 nan 0.000 0.539 51 S N 1.968 117.739 115.700 0.118 0.000 3.919 51 S HA 0.082 4.552 4.470 -0.000 0.000 0.245 51 S C 0.771 175.413 174.600 0.070 0.000 1.344 51 S CA 0.244 58.504 58.200 0.101 0.000 0.896 51 S CB -0.200 63.057 63.200 0.095 0.000 1.557 51 S HN 0.430 nan 8.310 nan 0.000 0.468 52 D N 0.458 120.909 120.400 0.086 0.000 2.368 52 D HA 0.044 4.684 4.640 -0.000 0.000 0.218 52 D C -0.114 176.242 176.300 0.094 0.000 1.112 52 D CA -0.179 53.857 54.000 0.060 0.000 0.834 52 D CB -0.038 40.798 40.800 0.061 0.000 0.953 52 D HN 0.484 nan 8.370 nan 0.000 0.505 53 Y N 0.671 120.938 120.300 -0.056 0.000 2.479 53 Y HA 0.382 4.932 4.550 -0.000 0.000 0.338 53 Y C -2.630 173.158 175.900 -0.186 0.000 1.055 53 Y CA -1.998 56.043 58.100 -0.098 0.000 1.023 53 Y CB 2.261 40.710 38.460 -0.019 0.000 1.287 53 Y HN -0.260 nan 8.280 nan 0.000 0.447 54 P HA 0.158 nan 4.420 nan 0.000 0.273 54 P C -2.455 174.396 177.300 -0.747 0.000 1.250 54 P CA -1.018 61.258 63.100 -1.374 0.000 0.793 54 P CB 0.697 31.739 31.700 -1.096 0.000 1.011 55 P HA -0.245 nan 4.420 nan 0.000 0.218 55 P C 1.801 178.955 177.300 -0.244 0.000 1.154 55 P CA 2.044 64.981 63.100 -0.272 0.000 0.872 55 P CB -0.340 31.246 31.700 -0.190 0.000 0.790 56 Q N -0.631 118.985 119.800 -0.308 0.000 2.364 56 Q HA -0.079 4.261 4.340 -0.000 0.000 0.209 56 Q C 1.851 177.754 176.000 -0.161 0.000 0.977 56 Q CA 1.858 57.542 55.803 -0.198 0.000 0.885 56 Q CB -1.219 27.432 28.738 -0.145 0.000 0.941 56 Q HN 0.180 nan 8.270 nan 0.000 0.464 57 A N 1.381 124.016 122.820 -0.309 0.000 2.067 57 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 57 A C 2.000 179.574 177.584 -0.017 0.000 1.158 57 A CA 1.106 53.085 52.037 -0.096 0.000 0.661 57 A CB -0.371 18.541 19.000 -0.147 0.000 0.801 57 A HN 0.508 nan 8.150 nan 0.000 0.452 58 Q N -0.406 119.359 119.800 -0.058 0.000 2.437 58 Q HA -0.058 4.282 4.340 -0.000 0.000 0.210 58 Q C 1.061 177.052 176.000 -0.016 0.000 0.972 58 Q CA 1.046 56.830 55.803 -0.032 0.000 0.903 58 Q CB -0.079 28.633 28.738 -0.042 0.000 0.967 58 Q HN 0.611 nan 8.270 nan 0.000 0.486 59 K N 0.161 120.557 120.400 -0.007 0.000 2.387 59 K HA 0.215 4.535 4.320 -0.000 0.000 0.198 59 K C -0.043 176.569 176.600 0.020 0.000 1.022 59 K CA -0.009 56.279 56.287 0.003 0.000 1.128 59 K CB 0.647 33.147 32.500 0.001 0.000 0.853 59 K HN 0.122 nan 8.250 nan 0.000 0.523 60 I N 1.594 122.186 120.570 0.036 0.000 2.385 60 I HA 0.074 4.244 4.170 -0.000 0.000 0.294 60 I C 0.555 176.688 176.117 0.027 0.000 0.988 60 I CA -0.774 60.553 61.300 0.044 0.000 1.265 60 I CB 1.261 39.311 38.000 0.083 0.000 1.388 60 I HN 0.105 nan 8.210 nan 0.000 0.480 61 E N 5.840 126.051 120.200 0.018 0.000 2.502 61 E HA -0.046 4.304 4.350 -0.000 0.000 0.261 61 E C -0.769 175.839 176.600 0.013 0.000 0.974 61 E CA 0.064 56.470 56.400 0.010 0.000 0.936 61 E CB 0.613 30.316 29.700 0.006 0.000 0.926 61 E HN 0.473 nan 8.360 nan 0.000 0.459 62 Q N 2.487 122.293 119.800 0.010 0.000 2.257 62 Q HA 0.223 4.563 4.340 -0.000 0.000 0.255 62 Q C 0.372 176.381 176.000 0.015 0.000 0.920 62 Q CA -0.414 55.398 55.803 0.016 0.000 0.927 62 Q CB 1.803 30.547 28.738 0.011 0.000 1.229 62 Q HN 0.559 nan 8.270 nan 0.000 0.433 63 V N -1.542 118.383 119.914 0.018 0.000 3.346 63 V HA 0.365 4.485 4.120 -0.000 0.000 0.309 63 V C 0.041 176.150 176.094 0.024 0.000 1.457 63 V CA -0.218 62.090 62.300 0.014 0.000 1.069 63 V CB 1.086 32.909 31.823 0.001 0.000 0.944 63 V HN 0.488 nan 8.190 nan 0.000 0.449 64 S N 0.584 116.310 115.700 0.043 0.000 2.541 64 S HA 0.809 5.279 4.470 -0.000 0.000 0.271 64 S C -0.359 174.301 174.600 0.101 0.000 1.133 64 S CA 0.481 58.719 58.200 0.064 0.000 0.876 64 S CB 2.192 65.431 63.200 0.065 0.000 1.105 64 S HN 1.016 nan 8.310 nan 0.000 0.470 65 T N 0.264 114.893 114.554 0.126 0.000 2.681 65 T HA 0.439 4.789 4.350 -0.000 0.000 0.296 65 T C 0.098 174.951 174.700 0.255 0.000 1.157 65 T CA -0.575 61.641 62.100 0.192 0.000 1.025 65 T CB 0.325 69.292 68.868 0.166 0.000 1.441 65 T HN 0.666 nan 8.240 nan 0.000 0.504 66 W N 0.887 122.234 121.300 0.078 0.000 2.392 66 W HA 0.060 4.720 4.660 -0.000 0.000 0.279 66 W C 2.124 178.650 176.519 0.011 0.000 1.225 66 W CA 1.256 58.623 57.345 0.037 0.000 1.233 66 W CB -0.618 28.865 29.460 0.037 0.000 1.122 66 W HN 0.788 nan 8.180 nan 0.000 0.561 67 Q N -0.321 119.536 119.800 0.095 0.000 2.472 67 Q HA 0.262 4.602 4.340 -0.000 0.000 0.208 67 Q C 0.838 176.814 176.000 -0.040 0.000 0.958 67 Q CA 0.833 56.599 55.803 -0.061 0.000 0.932 67 Q CB 0.033 28.758 28.738 -0.022 0.000 1.007 67 Q HN 0.209 nan 8.270 nan 0.000 0.508 68 G N 0.611 109.421 108.800 0.017 0.000 2.359 68 G HA2 0.015 3.975 3.960 -0.000 0.000 0.303 68 G HA3 0.015 3.975 3.960 -0.000 0.000 0.303 68 G C -1.068 173.851 174.900 0.032 0.000 1.293 68 G CA -0.555 44.552 45.100 0.011 0.000 0.964 68 G HN 0.104 nan 8.290 nan 0.000 0.531 69 M N -0.454 119.158 119.600 0.020 0.000 2.705 69 M HA 0.698 5.178 4.480 -0.000 0.000 0.311 69 M C -0.522 175.783 176.300 0.008 0.000 1.214 69 M CA -1.089 54.223 55.300 0.019 0.000 0.920 69 M CB 2.151 34.758 32.600 0.012 0.000 1.687 69 M HN 0.459 nan 8.290 nan 0.000 0.481 70 N N 2.258 120.962 118.700 0.006 0.000 2.767 70 N HA 0.280 5.020 4.740 -0.000 0.000 0.238 70 N C 0.465 175.972 175.510 -0.005 0.000 1.083 70 N CA -0.144 52.907 53.050 0.001 0.000 0.964 70 N CB 0.438 38.927 38.487 0.003 0.000 1.252 70 N HN 0.862 nan 8.380 nan 0.000 0.512 71 L N 0.994 122.213 121.223 -0.007 0.000 2.042 71 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 71 L C 2.416 179.280 176.870 -0.010 0.000 1.076 71 L CA 1.105 55.938 54.840 -0.010 0.000 0.749 71 L CB -0.295 41.759 42.059 -0.008 0.000 0.893 71 L HN 0.531 nan 8.230 nan 0.000 0.432 72 E N 0.874 121.070 120.200 -0.007 0.000 2.049 72 E HA -0.253 4.097 4.350 -0.000 0.000 0.198 72 E C 2.300 178.896 176.600 -0.008 0.000 1.007 72 E CA 1.476 57.872 56.400 -0.007 0.000 0.809 72 E CB -0.015 29.683 29.700 -0.005 0.000 0.749 72 E HN 0.357 nan 8.360 nan 0.000 0.450 73 R N 0.118 120.614 120.500 -0.007 0.000 2.092 73 R HA -0.032 4.308 4.340 -0.000 0.000 0.231 73 R C 2.651 178.944 176.300 -0.012 0.000 1.119 73 R CA 0.921 57.016 56.100 -0.008 0.000 0.970 73 R CB -0.584 29.713 30.300 -0.005 0.000 0.864 73 R HN 0.355 nan 8.270 nan 0.000 0.440 74 I N 0.335 120.896 120.570 -0.016 0.000 2.142 74 I HA -0.269 3.901 4.170 -0.000 0.000 0.240 74 I C 2.380 178.482 176.117 -0.025 0.000 1.078 74 I CA 1.216 62.501 61.300 -0.025 0.000 1.343 74 I CB -0.347 37.634 38.000 -0.033 0.000 1.046 74 I HN -0.095 nan 8.210 nan 0.000 0.405 75 V N 1.065 120.967 119.914 -0.020 0.000 2.332 75 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 75 V C 2.698 178.784 176.094 -0.013 0.000 1.055 75 V CA 2.006 64.296 62.300 -0.017 0.000 1.038 75 V CB -1.055 30.760 31.823 -0.012 0.000 0.651 75 V HN 0.516 nan 8.190 nan 0.000 0.450 76 A N -0.351 122.462 122.820 -0.011 0.000 1.933 76 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 76 A C 2.110 179.689 177.584 -0.009 0.000 1.175 76 A CA 1.622 53.654 52.037 -0.008 0.000 0.628 76 A CB -0.553 18.443 19.000 -0.007 0.000 0.814 76 A HN 0.529 nan 8.150 nan 0.000 0.444 77 L N -1.073 120.143 121.223 -0.013 0.000 2.622 77 L HA -0.036 4.304 4.340 -0.000 0.000 0.233 77 L C 0.117 176.978 176.870 -0.015 0.000 1.156 77 L CA 0.375 55.206 54.840 -0.014 0.000 0.866 77 L CB -0.395 41.653 42.059 -0.019 0.000 0.980 77 L HN 0.347 nan 8.230 nan 0.000 0.448 78 K N -0.192 120.200 120.400 -0.014 0.000 3.689 78 K HA -0.161 4.159 4.320 -0.000 0.000 0.276 78 K C -2.270 174.322 176.600 -0.013 0.000 0.932 78 K CA -0.194 56.087 56.287 -0.010 0.000 0.758 78 K CB -1.337 31.161 32.500 -0.003 0.000 1.500 78 K HN 0.254 nan 8.250 nan 0.000 0.448 79 P HA 0.075 nan 4.420 nan 0.000 0.277 79 P C -0.262 177.023 177.300 -0.026 0.000 1.240 79 P CA -0.144 62.931 63.100 -0.040 0.000 0.798 79 P CB 0.832 32.488 31.700 -0.073 0.000 0.979 80 D N 0.520 120.916 120.400 -0.007 0.000 2.366 80 D HA 0.146 4.786 4.640 -0.000 0.000 0.205 80 D C 0.241 176.502 176.300 -0.064 0.000 1.022 80 D CA 0.790 54.830 54.000 0.067 0.000 0.868 80 D CB 0.441 41.366 40.800 0.209 0.000 0.953 80 D HN 0.168 nan 8.370 nan 0.000 0.514 81 L N 0.431 121.511 121.223 -0.237 0.000 2.549 81 L HA 0.291 4.631 4.340 -0.000 0.000 0.259 81 L C -1.839 174.813 176.870 -0.363 0.000 0.934 81 L CA -0.631 53.912 54.840 -0.495 0.000 0.865 81 L CB 2.346 43.757 42.059 -1.080 0.000 1.352 81 L HN -0.360 nan 8.230 nan 0.000 0.410 82 V N 5.919 125.624 119.914 -0.348 0.000 2.409 82 V HA 0.501 4.621 4.120 -0.000 0.000 0.291 82 V C -0.023 175.865 176.094 -0.345 0.000 1.020 82 V CA -0.374 61.751 62.300 -0.291 0.000 0.848 82 V CB 1.645 33.318 31.823 -0.250 0.000 0.990 82 V HN 0.585 nan 8.190 nan 0.000 0.430 83 I N 4.909 125.311 120.570 -0.281 0.000 2.291 83 I HA 0.600 4.770 4.170 -0.000 0.000 0.290 83 I C 0.655 176.648 176.117 -0.207 0.000 1.050 83 I CA 0.047 61.195 61.300 -0.252 0.000 1.245 83 I CB 1.077 38.965 38.000 -0.187 0.000 1.405 83 I HN 0.688 nan 8.210 nan 0.000 0.478 84 A N 6.501 129.138 122.820 -0.304 0.000 2.269 84 A HA 0.675 4.995 4.320 -0.000 0.000 0.327 84 A C -1.611 176.061 177.584 0.146 0.000 1.112 84 A CA -0.374 51.521 52.037 -0.237 0.000 0.865 84 A CB 1.153 19.655 19.000 -0.830 0.000 1.227 84 A HN 0.740 nan 8.150 nan 0.000 0.498 85 W N 1.190 122.539 121.300 0.082 0.000 2.687 85 W HA 0.503 5.163 4.660 -0.000 0.000 0.328 85 W C 0.529 177.220 176.519 0.287 0.000 1.012 85 W CA -0.978 56.472 57.345 0.174 0.000 1.262 85 W CB 1.285 30.776 29.460 0.051 0.000 1.331 85 W HN 0.803 nan 8.180 nan 0.000 0.433 86 R N 2.347 123.005 120.500 0.264 0.000 2.120 86 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 86 R C 2.082 178.125 176.300 -0.428 0.000 1.123 86 R CA 1.669 57.736 56.100 -0.054 0.000 0.975 86 R CB -0.365 29.832 30.300 -0.172 0.000 0.866 86 R HN 0.736 nan 8.270 nan 0.000 0.446 87 G N -0.424 107.799 108.800 -0.961 0.000 2.422 87 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 87 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 87 G C 1.246 175.376 174.900 -1.284 0.000 1.146 87 G CA 0.942 45.331 45.100 -1.186 0.000 0.769 87 G HN 0.475 nan 8.290 nan 0.000 0.547 88 G N -0.643 107.190 108.800 -1.613 0.000 2.848 88 G HA2 0.133 4.093 3.960 -0.000 0.000 0.213 88 G HA3 0.133 4.093 3.960 -0.000 0.000 0.213 88 G C 0.305 175.091 174.900 -0.189 0.000 1.101 88 G CA -0.356 44.298 45.100 -0.743 0.000 0.778 88 G HN 0.231 nan 8.290 nan 0.000 0.536 89 N N 1.418 120.061 118.700 -0.096 0.000 2.419 89 N HA 0.473 5.213 4.740 -0.000 0.000 0.277 89 N C -0.074 175.468 175.510 0.054 0.000 1.006 89 N CA -0.258 52.821 53.050 0.048 0.000 0.923 89 N CB 1.914 40.473 38.487 0.119 0.000 1.140 89 N HN 0.129 nan 8.380 nan 0.000 0.488 90 A N 2.076 124.913 122.820 0.029 0.000 2.526 90 A HA 0.000 4.320 4.320 -0.000 0.000 0.267 90 A C 1.247 178.886 177.584 0.092 0.000 1.095 90 A CA 0.016 52.065 52.037 0.020 0.000 0.775 90 A CB -0.186 18.811 19.000 -0.005 0.000 1.036 90 A HN 0.700 nan 8.150 nan 0.000 0.510 91 E N 2.135 122.393 120.200 0.097 0.000 2.171 91 E HA -0.239 4.111 4.350 -0.000 0.000 0.197 91 E C 1.836 178.517 176.600 0.135 0.000 0.997 91 E CA 1.481 57.986 56.400 0.176 0.000 0.810 91 E CB -0.058 29.629 29.700 -0.022 0.000 0.738 91 E HN 0.763 nan 8.360 nan 0.000 0.467 92 R N 0.624 121.159 120.500 0.058 0.000 2.096 92 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 92 R C 2.392 178.721 176.300 0.049 0.000 1.127 92 R CA 1.302 57.427 56.100 0.041 0.000 0.968 92 R CB -0.130 30.177 30.300 0.011 0.000 0.861 92 R HN 0.278 nan 8.270 nan 0.000 0.440 93 Q N -0.094 119.734 119.800 0.047 0.000 2.083 93 Q HA -0.078 4.262 4.340 -0.000 0.000 0.198 93 Q C 2.222 178.246 176.000 0.040 0.000 0.969 93 Q CA 1.258 57.081 55.803 0.033 0.000 0.838 93 Q CB 0.129 28.879 28.738 0.020 0.000 0.900 93 Q HN 0.164 nan 8.270 nan 0.000 0.436 94 V N 1.713 121.671 119.914 0.074 0.000 2.407 94 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 94 V C 1.418 177.557 176.094 0.074 0.000 1.055 94 V CA 1.870 64.192 62.300 0.038 0.000 1.049 94 V CB -0.522 31.316 31.823 0.025 0.000 0.662 94 V HN 0.292 nan 8.190 nan 0.000 0.455 95 D N -0.220 120.267 120.400 0.146 0.000 2.218 95 D HA -0.178 4.462 4.640 -0.000 0.000 0.204 95 D C 2.319 178.656 176.300 0.062 0.000 0.976 95 D CA 1.005 55.081 54.000 0.126 0.000 0.853 95 D CB -0.239 40.630 40.800 0.114 0.000 0.939 95 D HN 0.530 nan 8.370 nan 0.000 0.481 96 Q N -0.213 119.612 119.800 0.041 0.000 2.170 96 Q HA -0.077 4.263 4.340 -0.000 0.000 0.203 96 Q C 2.333 178.338 176.000 0.010 0.000 0.976 96 Q CA 0.635 56.451 55.803 0.021 0.000 0.858 96 Q CB -0.002 28.743 28.738 0.012 0.000 0.907 96 Q HN 0.362 nan 8.270 nan 0.000 0.433 97 L N -0.193 121.029 121.223 -0.001 0.000 2.056 97 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 97 L C 2.513 179.377 176.870 -0.011 0.000 1.078 97 L CA 0.889 55.717 54.840 -0.020 0.000 0.749 97 L CB -0.613 41.413 42.059 -0.055 0.000 0.901 97 L HN 0.185 nan 8.230 nan 0.000 0.433 98 A N -0.353 122.470 122.820 0.005 0.000 1.972 98 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 98 A C 2.464 180.063 177.584 0.025 0.000 1.169 98 A CA 2.010 54.060 52.037 0.021 0.000 0.635 98 A CB -0.557 18.479 19.000 0.059 0.000 0.810 98 A HN 0.407 nan 8.150 nan 0.000 0.446 99 S N -0.223 115.492 115.700 0.025 0.000 2.419 99 S HA -0.020 4.450 4.470 -0.000 0.000 0.233 99 S C 1.478 176.087 174.600 0.015 0.000 1.016 99 S CA 1.162 59.375 58.200 0.021 0.000 0.974 99 S CB -0.297 62.914 63.200 0.020 0.000 0.786 99 S HN 0.531 nan 8.310 nan 0.000 0.492 100 L N 0.345 121.573 121.223 0.009 0.000 2.558 100 L HA 0.241 4.581 4.340 -0.000 0.000 0.225 100 L C 1.736 178.610 176.870 0.007 0.000 1.128 100 L CA 0.441 55.284 54.840 0.006 0.000 0.868 100 L CB -0.239 41.820 42.059 -0.000 0.000 1.006 100 L HN 0.508 nan 8.230 nan 0.000 0.454 101 G N 0.531 109.337 108.800 0.010 0.000 2.176 101 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.232 101 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.232 101 G C 0.230 175.137 174.900 0.011 0.000 0.986 101 G CA -0.459 44.650 45.100 0.015 0.000 0.643 101 G HN 0.219 nan 8.290 nan 0.000 0.522 102 I N 1.716 122.283 120.570 -0.006 0.000 2.471 102 I HA 0.219 4.389 4.170 -0.000 0.000 0.286 102 I C 0.848 176.939 176.117 -0.044 0.000 1.079 102 I CA -0.228 61.056 61.300 -0.027 0.000 1.398 102 I CB 0.827 38.798 38.000 -0.049 0.000 1.403 102 I HN -0.005 nan 8.210 nan 0.000 0.530 103 K N 5.188 125.559 120.400 -0.048 0.000 2.326 103 K HA 0.430 4.750 4.320 -0.000 0.000 0.275 103 K C -0.869 175.617 176.600 -0.190 0.000 1.018 103 K CA -0.364 55.882 56.287 -0.070 0.000 0.962 103 K CB 1.204 33.699 32.500 -0.009 0.000 0.953 103 K HN 0.307 nan 8.250 nan 0.000 0.475 104 V N 3.958 123.755 119.914 -0.196 0.000 2.604 104 V HA 0.339 4.459 4.120 -0.000 0.000 0.305 104 V C -0.518 175.374 176.094 -0.337 0.000 1.043 104 V CA -0.865 61.224 62.300 -0.352 0.000 0.888 104 V CB 1.703 33.245 31.823 -0.468 0.000 0.995 104 V HN 0.784 nan 8.190 nan 0.000 0.429 105 M N 4.822 124.186 119.600 -0.393 0.000 2.114 105 M HA 0.461 4.941 4.480 -0.000 0.000 0.332 105 M C -1.722 174.445 176.300 -0.221 0.000 1.014 105 M CA -0.347 54.816 55.300 -0.230 0.000 0.956 105 M CB 0.958 33.419 32.600 -0.231 0.000 1.551 105 M HN 0.698 nan 8.290 nan 0.000 0.427 106 W N 4.952 126.247 121.300 -0.008 0.000 2.322 106 W HA 0.498 5.158 4.660 -0.000 0.000 0.307 106 W C -0.820 175.723 176.519 0.040 0.000 1.220 106 W CA -0.549 56.810 57.345 0.024 0.000 1.210 106 W CB 1.042 30.518 29.460 0.026 0.000 1.223 106 W HN 0.291 nan 8.180 nan 0.000 0.511 107 V N 4.609 124.704 119.914 0.303 0.000 2.407 107 V HA 0.248 4.368 4.120 -0.000 0.000 0.291 107 V C -0.519 175.748 176.094 0.287 0.000 1.018 107 V CA -0.833 61.589 62.300 0.203 0.000 0.842 107 V CB 1.493 33.364 31.823 0.081 0.000 0.996 107 V HN 0.484 nan 8.190 nan 0.000 0.426 108 D N 3.938 124.479 120.400 0.235 0.000 2.945 108 D HA 0.284 4.923 4.640 -0.000 0.000 0.369 108 D C 0.487 176.882 176.300 0.158 0.000 1.294 108 D CA -0.103 54.057 54.000 0.267 0.000 0.778 108 D CB 1.676 42.606 40.800 0.216 0.000 1.188 108 D HN 0.615 nan 8.370 nan 0.000 0.479 109 A N 0.882 123.760 122.820 0.096 0.000 2.524 109 A HA 0.287 4.607 4.320 -0.000 0.000 0.250 109 A C 1.384 179.001 177.584 0.054 0.000 1.078 109 A CA 0.327 52.393 52.037 0.049 0.000 0.761 109 A CB 0.109 19.110 19.000 0.001 0.000 1.012 109 A HN 0.245 nan 8.150 nan 0.000 0.500 110 T N -0.942 113.642 114.554 0.051 0.000 3.085 110 T HA 0.433 4.783 4.350 -0.000 0.000 0.264 110 T C 0.349 175.057 174.700 0.014 0.000 1.019 110 T CA 0.417 62.551 62.100 0.058 0.000 0.910 110 T CB -0.639 68.272 68.868 0.072 0.000 1.059 110 T HN 1.452 nan 8.240 nan 0.000 0.542 111 S N -0.574 115.117 115.700 -0.016 0.000 2.596 111 S HA 0.610 5.080 4.470 -0.000 0.000 0.270 111 S C 0.269 174.806 174.600 -0.106 0.000 1.155 111 S CA -0.861 57.301 58.200 -0.063 0.000 0.827 111 S CB 0.855 64.030 63.200 -0.043 0.000 1.130 111 S HN -0.102 nan 8.310 nan 0.000 0.467 112 I N 1.607 122.051 120.570 -0.211 0.000 2.286 112 I HA -0.041 4.129 4.170 -0.000 0.000 0.248 112 I C 2.347 178.385 176.117 -0.131 0.000 1.115 112 I CA 1.569 62.726 61.300 -0.240 0.000 1.392 112 I CB -0.865 36.816 38.000 -0.532 0.000 1.065 112 I HN 0.813 nan 8.210 nan 0.000 0.418 113 E N -0.079 120.063 120.200 -0.097 0.000 2.110 113 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 113 E C 2.205 178.801 176.600 -0.006 0.000 0.988 113 E CA 1.021 57.410 56.400 -0.019 0.000 0.804 113 E CB -0.242 29.467 29.700 0.015 0.000 0.745 113 E HN 0.528 nan 8.360 nan 0.000 0.458 114 Q N -0.241 119.552 119.800 -0.011 0.000 2.230 114 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 114 Q C 2.044 178.046 176.000 0.002 0.000 0.963 114 Q CA 0.777 56.584 55.803 0.007 0.000 0.866 114 Q CB 0.034 28.780 28.738 0.015 0.000 0.931 114 Q HN 0.351 nan 8.270 nan 0.000 0.452 115 I N 0.189 120.747 120.570 -0.020 0.000 2.233 115 I HA -0.231 3.939 4.170 -0.000 0.000 0.243 115 I C 2.364 178.477 176.117 -0.006 0.000 1.093 115 I CA 0.852 62.139 61.300 -0.022 0.000 1.380 115 I CB -0.367 37.607 38.000 -0.045 0.000 1.067 115 I HN 0.147 nan 8.210 nan 0.000 0.413 116 A N 1.022 123.839 122.820 -0.004 0.000 1.902 116 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 116 A C 2.044 179.642 177.584 0.023 0.000 1.181 116 A CA 2.435 54.479 52.037 0.012 0.000 0.623 116 A CB -0.952 18.058 19.000 0.018 0.000 0.818 116 A HN 0.507 nan 8.150 nan 0.000 0.443 117 N N 0.138 118.852 118.700 0.024 0.000 2.166 117 N HA -0.069 4.671 4.740 -0.000 0.000 0.186 117 N C 1.695 177.229 175.510 0.040 0.000 1.019 117 N CA 1.859 54.929 53.050 0.034 0.000 0.856 117 N CB -0.341 38.168 38.487 0.036 0.000 0.993 117 N HN 0.348 nan 8.380 nan 0.000 0.426 118 A N 0.416 123.256 122.820 0.034 0.000 1.933 118 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 118 A C 2.287 179.894 177.584 0.037 0.000 1.175 118 A CA 1.002 53.061 52.037 0.036 0.000 0.628 118 A CB -0.793 18.219 19.000 0.021 0.000 0.814 118 A HN 0.375 nan 8.150 nan 0.000 0.444 119 L N -1.123 120.119 121.223 0.031 0.000 2.017 119 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 119 L C 2.884 179.784 176.870 0.050 0.000 1.073 119 L CA 1.552 56.413 54.840 0.036 0.000 0.745 119 L CB -0.442 41.635 42.059 0.030 0.000 0.894 119 L HN 0.347 nan 8.230 nan 0.000 0.432 120 R N -0.581 119.948 120.500 0.048 0.000 2.096 120 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 120 R C 2.274 178.617 176.300 0.072 0.000 1.127 120 R CA 1.015 57.146 56.100 0.052 0.000 0.968 120 R CB -0.209 30.117 30.300 0.044 0.000 0.861 120 R HN 0.384 nan 8.270 nan 0.000 0.440 121 Q N 0.374 120.225 119.800 0.084 0.000 2.364 121 Q HA -0.071 4.269 4.340 -0.000 0.000 0.207 121 Q C 1.912 178.034 176.000 0.204 0.000 0.970 121 Q CA 0.985 56.863 55.803 0.125 0.000 0.888 121 Q CB 0.124 28.930 28.738 0.114 0.000 0.951 121 Q HN 0.427 nan 8.270 nan 0.000 0.469 122 L N -0.409 120.914 121.223 0.166 0.000 2.509 122 L HA 0.071 4.411 4.340 -0.000 0.000 0.222 122 L C 2.208 179.211 176.870 0.222 0.000 1.123 122 L CA 0.258 55.235 54.840 0.228 0.000 0.856 122 L CB -0.382 41.736 42.059 0.098 0.000 0.985 122 L HN 0.048 nan 8.230 nan 0.000 0.456 123 A N 1.513 124.410 122.820 0.128 0.000 1.884 123 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 123 A C -0.130 177.475 177.584 0.035 0.000 1.197 123 A CA 1.890 53.968 52.037 0.068 0.000 0.637 123 A CB -1.793 17.230 19.000 0.038 0.000 0.827 123 A HN 0.262 nan 8.150 nan 0.000 0.450 124 P HA -0.137 nan 4.420 nan 0.000 0.219 124 P C 0.441 177.569 177.300 -0.287 0.000 1.146 124 P CA 1.177 64.152 63.100 -0.208 0.000 0.808 124 P CB -0.151 31.341 31.700 -0.348 0.000 0.779 125 W N -1.158 120.127 121.300 -0.025 0.000 3.290 125 W HA 0.279 4.939 4.660 0.000 0.000 0.287 125 W C 0.866 177.360 176.519 -0.043 0.000 1.288 125 W CA -0.019 57.306 57.345 -0.035 0.000 1.725 125 W CB -0.183 29.253 29.460 -0.041 0.000 1.103 125 W HN -0.176 nan 8.180 nan 0.000 0.670 126 S N 1.627 117.401 115.700 0.123 0.000 2.525 126 S HA 0.284 4.754 4.470 -0.000 0.000 0.290 126 S C -0.988 173.625 174.600 0.021 0.000 1.152 126 S CA -1.708 56.529 58.200 0.061 0.000 1.072 126 S CB 1.476 64.704 63.200 0.047 0.000 1.027 126 S HN -0.152 nan 8.310 nan 0.000 0.500 127 P HA 0.007 nan 4.420 nan 0.000 0.233 127 P C -0.537 176.762 177.300 -0.001 0.000 1.167 127 P CA 0.644 63.743 63.100 -0.000 0.000 0.770 127 P CB 0.021 31.720 31.700 -0.002 0.000 0.837 128 Q N -0.302 119.501 119.800 0.005 0.000 3.122 128 Q HA 0.259 4.599 4.340 -0.000 0.000 0.282 128 Q C -2.234 173.772 176.000 0.011 0.000 0.947 128 Q CA -1.893 53.914 55.803 0.007 0.000 0.812 128 Q CB 1.284 30.029 28.738 0.011 0.000 1.333 128 Q HN 0.059 nan 8.270 nan 0.000 0.430 129 P HA -0.230 nan 4.420 nan 0.000 0.217 129 P C 0.571 177.879 177.300 0.012 0.000 1.151 129 P CA 1.300 64.405 63.100 0.008 0.000 0.849 129 P CB 0.329 32.025 31.700 -0.006 0.000 0.787 130 D N -0.602 119.804 120.400 0.010 0.000 2.149 130 D HA -0.152 4.488 4.640 -0.000 0.000 0.198 130 D C 1.788 178.098 176.300 0.017 0.000 0.990 130 D CA 1.118 55.125 54.000 0.012 0.000 0.839 130 D CB -0.301 40.505 40.800 0.009 0.000 0.948 130 D HN 0.258 nan 8.370 nan 0.000 0.460 131 K N 0.508 120.920 120.400 0.020 0.000 2.057 131 K HA -0.065 4.255 4.320 -0.000 0.000 0.207 131 K C 2.137 178.755 176.600 0.030 0.000 1.049 131 K CA 1.058 57.361 56.287 0.025 0.000 0.931 131 K CB -0.040 32.478 32.500 0.029 0.000 0.714 131 K HN 0.016 nan 8.250 nan 0.000 0.440 132 A N 1.743 124.582 122.820 0.031 0.000 1.877 132 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 132 A C 1.907 179.510 177.584 0.033 0.000 1.186 132 A CA 1.542 53.600 52.037 0.036 0.000 0.620 132 A CB -0.420 18.605 19.000 0.043 0.000 0.822 132 A HN 0.308 nan 8.150 nan 0.000 0.443 133 E N -0.998 119.219 120.200 0.028 0.000 2.077 133 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 133 E C 2.241 178.855 176.600 0.025 0.000 0.989 133 E CA 1.415 57.831 56.400 0.025 0.000 0.800 133 E CB -0.135 29.577 29.700 0.020 0.000 0.746 133 E HN 0.676 nan 8.360 nan 0.000 0.452 134 Q N 0.964 120.778 119.800 0.023 0.000 2.079 134 Q HA -0.090 4.250 4.340 -0.000 0.000 0.200 134 Q C 2.007 178.023 176.000 0.025 0.000 0.974 134 Q CA 1.767 57.583 55.803 0.023 0.000 0.840 134 Q CB -0.377 28.374 28.738 0.021 0.000 0.898 134 Q HN 0.235 nan 8.270 nan 0.000 0.430 135 A N 0.440 123.277 122.820 0.028 0.000 1.917 135 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 135 A C 2.288 179.888 177.584 0.027 0.000 1.182 135 A CA 2.155 54.210 52.037 0.029 0.000 0.633 135 A CB -1.241 17.780 19.000 0.035 0.000 0.819 135 A HN 0.539 nan 8.150 nan 0.000 0.448 136 A N -1.321 121.516 122.820 0.028 0.000 1.873 136 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 136 A C 2.163 179.766 177.584 0.032 0.000 1.186 136 A CA 2.059 54.113 52.037 0.028 0.000 0.616 136 A CB -0.528 18.491 19.000 0.030 0.000 0.823 136 A HN 0.500 nan 8.150 nan 0.000 0.442 137 Q N 0.246 120.065 119.800 0.031 0.000 2.124 137 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 137 Q C 2.229 178.250 176.000 0.035 0.000 0.977 137 Q CA 2.066 57.889 55.803 0.033 0.000 0.850 137 Q CB -0.491 28.264 28.738 0.027 0.000 0.901 137 Q HN 0.565 nan 8.270 nan 0.000 0.429 138 S N 0.046 115.765 115.700 0.030 0.000 2.368 138 S HA -0.125 4.345 4.470 -0.000 0.000 0.225 138 S C 1.625 176.248 174.600 0.037 0.000 1.030 138 S CA 1.073 59.290 58.200 0.029 0.000 0.999 138 S CB -0.428 62.785 63.200 0.022 0.000 0.844 138 S HN 0.407 nan 8.310 nan 0.000 0.459 139 L N 1.952 123.196 121.223 0.035 0.000 2.017 139 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 139 L C 1.952 178.870 176.870 0.080 0.000 1.073 139 L CA 1.625 56.488 54.840 0.039 0.000 0.745 139 L CB -0.685 41.385 42.059 0.017 0.000 0.894 139 L HN 0.288 nan 8.230 nan 0.000 0.432 140 L N -0.841 120.432 121.223 0.082 0.000 2.046 140 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 140 L C 2.240 179.188 176.870 0.129 0.000 1.077 140 L CA 1.323 56.240 54.840 0.128 0.000 0.747 140 L CB -0.863 41.252 42.059 0.094 0.000 0.896 140 L HN 0.281 nan 8.230 nan 0.000 0.432 141 D N -0.266 120.181 120.400 0.079 0.000 2.144 141 D HA -0.173 4.467 4.640 -0.000 0.000 0.200 141 D C 2.319 178.655 176.300 0.060 0.000 0.978 141 D CA 1.050 55.083 54.000 0.055 0.000 0.833 141 D CB -0.131 40.689 40.800 0.035 0.000 0.961 141 D HN 0.415 nan 8.370 nan 0.000 0.470 142 Q N -0.714 119.131 119.800 0.075 0.000 2.167 142 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 142 Q C 1.960 178.039 176.000 0.132 0.000 0.970 142 Q CA 0.835 56.684 55.803 0.077 0.000 0.855 142 Q CB -0.152 28.621 28.738 0.059 0.000 0.911 142 Q HN 0.361 nan 8.270 nan 0.000 0.438 143 Y N 0.995 121.306 120.300 0.019 0.000 2.200 143 Y HA -0.115 4.435 4.550 -0.000 0.000 0.290 143 Y C 2.173 178.094 175.900 0.035 0.000 1.137 143 Y CA 1.024 59.142 58.100 0.030 0.000 1.163 143 Y CB -0.544 37.932 38.460 0.027 0.000 0.988 143 Y HN 0.045 nan 8.280 nan 0.000 0.518 144 A N 0.232 123.009 122.820 -0.072 0.000 1.933 144 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 144 A C 2.155 179.676 177.584 -0.105 0.000 1.175 144 A CA 1.823 53.764 52.037 -0.160 0.000 0.628 144 A CB -0.704 18.260 19.000 -0.060 0.000 0.814 144 A HN 0.654 nan 8.150 nan 0.000 0.444 145 Q N -1.256 118.523 119.800 -0.035 0.000 2.084 145 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 145 Q C 2.063 178.058 176.000 -0.009 0.000 0.978 145 Q CA 1.417 57.208 55.803 -0.019 0.000 0.844 145 Q CB -0.294 28.448 28.738 0.005 0.000 0.898 145 Q HN 0.538 nan 8.270 nan 0.000 0.426 146 L N 1.209 122.449 121.223 0.029 0.000 2.046 146 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 146 L C 1.962 178.883 176.870 0.086 0.000 1.077 146 L CA 1.785 56.693 54.840 0.113 0.000 0.747 146 L CB -0.270 41.888 42.059 0.164 0.000 0.896 146 L HN 0.035 nan 8.230 nan 0.000 0.432 147 K N -1.048 119.306 120.400 -0.077 0.000 2.032 147 K HA -0.165 4.155 4.320 -0.000 0.000 0.209 147 K C 2.053 178.630 176.600 -0.039 0.000 1.048 147 K CA 1.484 57.709 56.287 -0.103 0.000 0.927 147 K CB -0.370 31.971 32.500 -0.265 0.000 0.712 147 K HN 0.430 nan 8.250 nan 0.000 0.441 148 A N 1.148 123.932 122.820 -0.061 0.000 1.933 148 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 148 A C 2.096 179.634 177.584 -0.077 0.000 1.175 148 A CA 1.471 53.473 52.037 -0.058 0.000 0.628 148 A CB -0.502 18.462 19.000 -0.060 0.000 0.814 148 A HN 0.382 nan 8.150 nan 0.000 0.444 149 Q N -1.821 117.920 119.800 -0.098 0.000 2.124 149 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 149 Q C 0.542 176.275 176.000 -0.444 0.000 0.977 149 Q CA 1.711 57.351 55.803 -0.272 0.000 0.850 149 Q CB -0.109 28.454 28.738 -0.290 0.000 0.901 149 Q HN 0.794 nan 8.270 nan 0.000 0.429 150 Y N -1.510 118.779 120.300 -0.018 0.000 2.681 150 Y HA 0.401 4.951 4.550 0.000 0.000 0.267 150 Y C 1.338 177.230 175.900 -0.014 0.000 1.166 150 Y CA 0.014 58.108 58.100 -0.011 0.000 1.209 150 Y CB 0.434 38.894 38.460 -0.001 0.000 1.161 150 Y HN 0.174 nan 8.280 nan 0.000 0.534 151 A N -0.251 122.604 122.820 0.059 0.000 2.076 151 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 151 A C 1.505 179.109 177.584 0.032 0.000 1.160 151 A CA 1.889 53.946 52.037 0.034 0.000 0.653 151 A CB -0.204 18.794 19.000 -0.002 0.000 0.801 151 A HN 0.319 nan 8.150 nan 0.000 0.455 152 D N -0.214 120.202 120.400 0.028 0.000 2.340 152 D HA 0.064 4.704 4.640 -0.000 0.000 0.217 152 D C -0.089 176.236 176.300 0.040 0.000 1.081 152 D CA 0.135 54.148 54.000 0.022 0.000 0.842 152 D CB 0.213 41.014 40.800 0.001 0.000 0.934 152 D HN 0.181 nan 8.370 nan 0.000 0.511 153 K N 1.986 122.431 120.400 0.075 0.000 2.270 153 K HA 0.288 4.608 4.320 -0.000 0.000 0.276 153 K C -2.216 174.413 176.600 0.047 0.000 1.023 153 K CA -1.632 54.702 56.287 0.079 0.000 0.955 153 K CB 0.341 32.919 32.500 0.130 0.000 0.975 153 K HN -0.058 nan 8.250 nan 0.000 0.471 154 P HA 0.109 nan 4.420 nan 0.000 0.275 154 P C -0.437 176.873 177.300 0.016 0.000 1.228 154 P CA -0.304 62.808 63.100 0.020 0.000 0.786 154 P CB 0.522 32.231 31.700 0.015 0.000 0.927 155 K N 2.752 123.158 120.400 0.011 0.000 2.401 155 K HA 0.191 4.511 4.320 -0.000 0.000 0.278 155 K C 0.045 176.644 176.600 -0.002 0.000 1.018 155 K CA 0.374 56.665 56.287 0.006 0.000 0.981 155 K CB 0.330 32.832 32.500 0.004 0.000 0.933 155 K HN 0.427 nan 8.250 nan 0.000 0.477 156 K N 2.718 123.115 120.400 -0.005 0.000 2.482 156 K HA 0.328 4.648 4.320 -0.000 0.000 0.251 156 K C -0.497 176.094 176.600 -0.015 0.000 0.936 156 K CA -0.691 55.589 56.287 -0.013 0.000 0.791 156 K CB 2.364 34.854 32.500 -0.016 0.000 1.213 156 K HN 0.307 nan 8.250 nan 0.000 0.428 157 R N 1.537 122.024 120.500 -0.022 0.000 2.340 157 R HA 0.370 4.710 4.340 -0.000 0.000 0.300 157 R C -0.490 175.800 176.300 -0.017 0.000 1.069 157 R CA -0.426 55.659 56.100 -0.024 0.000 0.984 157 R CB 0.799 31.074 30.300 -0.042 0.000 1.003 157 R HN 0.224 nan 8.270 nan 0.000 0.459 158 V N 3.856 123.774 119.914 0.006 0.000 2.876 158 V HA 0.374 4.494 4.120 -0.000 0.000 0.312 158 V C -1.103 175.058 176.094 0.111 0.000 1.085 158 V CA -0.892 61.423 62.300 0.025 0.000 0.945 158 V CB 2.063 33.886 31.823 -0.000 0.000 1.017 158 V HN 0.537 nan 8.190 nan 0.000 0.428 159 F N 4.472 124.386 119.950 -0.060 0.000 2.427 159 F HA 0.657 5.184 4.527 -0.000 0.000 0.346 159 F C -0.576 175.231 175.800 0.011 0.000 1.120 159 F CA -1.075 56.927 58.000 0.002 0.000 1.033 159 F CB 1.087 40.031 39.000 -0.094 0.000 1.126 159 F HN 0.303 nan 8.300 nan 0.000 0.462 160 L N 6.659 127.567 121.223 -0.526 0.000 2.259 160 L HA 0.361 4.701 4.340 -0.000 0.000 0.288 160 L C -0.220 176.089 176.870 -0.934 0.000 1.051 160 L CA -0.349 54.208 54.840 -0.472 0.000 0.824 160 L CB 0.997 43.072 42.059 0.027 0.000 1.206 160 L HN 0.626 nan 8.230 nan 0.000 0.429 161 Q N 3.504 122.746 119.800 -0.931 0.000 2.278 161 Q HA 0.448 4.788 4.340 -0.000 0.000 0.257 161 Q C -1.588 174.058 176.000 -0.590 0.000 0.928 161 Q CA -0.530 54.896 55.803 -0.628 0.000 0.932 161 Q CB 1.073 29.728 28.738 -0.137 0.000 1.221 161 Q HN 0.435 nan 8.270 nan 0.000 0.434 162 F N 2.751 122.767 119.950 0.110 0.000 2.513 162 F HA 0.588 5.115 4.527 -0.000 0.000 0.358 162 F C 0.510 176.417 175.800 0.177 0.000 1.118 162 F CA -0.049 58.039 58.000 0.148 0.000 1.037 162 F CB 1.833 40.948 39.000 0.191 0.000 1.276 162 F HN 0.792 nan 8.300 nan 0.000 0.446 163 G N 2.249 111.171 108.800 0.204 0.000 2.690 163 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.686 163 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.686 163 G C -0.073 174.879 174.900 0.087 0.000 1.277 163 G CA -0.574 44.618 45.100 0.154 0.000 0.799 163 G HN 0.545 nan 8.290 nan 0.000 0.613 164 I N 0.415 120.972 120.570 -0.022 0.000 3.196 164 I HA 0.028 4.198 4.170 -0.000 0.000 0.248 164 I C 2.490 178.427 176.117 -0.299 0.000 1.105 164 I CA 0.206 61.369 61.300 -0.229 0.000 1.482 164 I CB -0.415 37.426 38.000 -0.265 0.000 1.400 164 I HN 0.665 nan 8.210 nan 0.000 0.464 165 N N 2.496 121.114 118.700 -0.136 0.000 2.000 165 N HA -0.099 4.641 4.740 -0.000 0.000 0.197 165 N C -1.827 173.682 175.510 -0.002 0.000 1.076 165 N CA 1.479 54.494 53.050 -0.059 0.000 0.869 165 N CB -1.351 37.141 38.487 0.008 0.000 1.068 165 N HN 0.079 nan 8.380 nan 0.000 0.426 166 P HA 0.342 nan 4.420 nan 0.000 0.288 166 P C -2.742 174.608 177.300 0.084 0.000 1.363 166 P CA -1.423 61.709 63.100 0.053 0.000 0.837 166 P CB 0.957 32.709 31.700 0.087 0.000 0.981 167 P HA 0.196 nan 4.420 nan 0.000 0.271 167 P C -0.696 176.678 177.300 0.123 0.000 1.233 167 P CA 0.521 63.750 63.100 0.215 0.000 0.764 167 P CB 0.117 32.032 31.700 0.358 0.000 0.825 168 F N 1.485 121.599 119.950 0.273 0.000 2.483 168 F HA 0.681 5.208 4.527 -0.000 0.000 0.329 168 F C 1.133 177.149 175.800 0.360 0.000 1.064 168 F CA -0.002 58.163 58.000 0.274 0.000 0.986 168 F CB 2.079 41.239 39.000 0.267 0.000 1.218 168 F HN 0.154 nan 8.300 nan 0.000 0.484 169 T N -0.202 114.621 114.554 0.449 0.000 2.754 169 T HA 0.494 4.844 4.350 -0.000 0.000 0.296 169 T C -1.403 173.312 174.700 0.024 0.000 1.205 169 T CA -0.560 61.726 62.100 0.310 0.000 1.009 169 T CB 1.548 70.477 68.868 0.103 0.000 1.368 169 T HN 0.591 nan 8.240 nan 0.000 0.509 170 S N -0.272 115.283 115.700 -0.242 0.000 2.537 170 S HA 0.760 5.230 4.470 -0.000 0.000 0.301 170 S C 0.593 174.934 174.600 -0.431 0.000 1.092 170 S CA 0.039 57.703 58.200 -0.893 0.000 1.048 170 S CB 0.839 63.351 63.200 -1.147 0.000 1.053 170 S HN 1.029 nan 8.310 nan 0.000 0.501 171 G N 2.101 110.605 108.800 -0.494 0.000 2.504 171 G HA2 0.253 4.213 3.960 -0.000 0.000 0.257 171 G HA3 0.253 4.213 3.960 -0.000 0.000 0.257 171 G C 0.585 175.385 174.900 -0.168 0.000 1.451 171 G CA -0.124 44.855 45.100 -0.201 0.000 1.059 171 G HN 0.863 nan 8.290 nan 0.000 0.550 172 K N -0.797 119.553 120.400 -0.083 0.000 2.361 172 K HA 0.148 4.468 4.320 -0.000 0.000 0.196 172 K C 0.045 176.615 176.600 -0.050 0.000 1.039 172 K CA 0.635 56.893 56.287 -0.048 0.000 1.001 172 K CB 0.358 32.852 32.500 -0.009 0.000 0.795 172 K HN 0.142 nan 8.250 nan 0.000 0.495 173 E N 2.516 122.677 120.200 -0.065 0.000 2.127 173 E HA 0.106 4.456 4.350 -0.000 0.000 0.262 173 E C -0.806 175.790 176.600 -0.006 0.000 1.144 173 E CA -0.072 56.315 56.400 -0.022 0.000 1.144 173 E CB 0.734 30.436 29.700 0.004 0.000 1.297 173 E HN 0.426 nan 8.360 nan 0.000 0.469 174 S N -0.512 115.181 115.700 -0.012 0.000 2.565 174 S HA 0.328 4.798 4.470 -0.000 0.000 0.269 174 S C 0.888 175.497 174.600 0.016 0.000 1.153 174 S CA -0.918 57.311 58.200 0.048 0.000 0.835 174 S CB 0.527 63.744 63.200 0.028 0.000 1.122 174 S HN 0.299 nan 8.310 nan 0.000 0.462 175 I N -1.174 119.405 120.570 0.015 0.000 2.493 175 I HA -0.092 4.078 4.170 -0.000 0.000 0.254 175 I C 2.022 178.116 176.117 -0.039 0.000 1.160 175 I CA 1.113 62.391 61.300 -0.036 0.000 1.445 175 I CB -0.659 37.301 38.000 -0.066 0.000 1.086 175 I HN 0.595 nan 8.210 nan 0.000 0.433 176 Q N 1.770 121.518 119.800 -0.086 0.000 2.084 176 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 176 Q C 2.101 178.162 176.000 0.102 0.000 0.978 176 Q CA 2.290 57.998 55.803 -0.158 0.000 0.844 176 Q CB -0.593 27.977 28.738 -0.280 0.000 0.898 176 Q HN 0.671 nan 8.270 nan 0.000 0.426 177 N N -0.056 118.665 118.700 0.035 0.000 2.142 177 N HA -0.202 4.538 4.740 -0.000 0.000 0.186 177 N C 1.688 177.242 175.510 0.074 0.000 1.023 177 N CA 1.245 54.326 53.050 0.052 0.000 0.852 177 N CB 0.000 38.479 38.487 -0.013 0.000 0.998 177 N HN 0.286 nan 8.380 nan 0.000 0.424 178 Q N -0.298 119.534 119.800 0.053 0.000 2.124 178 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 178 Q C 1.717 177.786 176.000 0.115 0.000 0.977 178 Q CA 1.246 57.087 55.803 0.064 0.000 0.850 178 Q CB 0.076 28.811 28.738 -0.005 0.000 0.901 178 Q HN 0.267 nan 8.270 nan 0.000 0.429 179 V N 0.948 120.940 119.914 0.131 0.000 2.358 179 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 179 V C 2.256 178.449 176.094 0.165 0.000 1.047 179 V CA 1.400 63.811 62.300 0.186 0.000 1.035 179 V CB -0.518 31.482 31.823 0.296 0.000 0.658 179 V HN 0.418 nan 8.190 nan 0.000 0.452 180 L N 0.157 121.486 121.223 0.177 0.000 2.046 180 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 180 L C 2.478 179.389 176.870 0.069 0.000 1.077 180 L CA 1.945 56.850 54.840 0.108 0.000 0.747 180 L CB -0.833 41.300 42.059 0.124 0.000 0.896 180 L HN 0.296 nan 8.230 nan 0.000 0.432 181 E N -0.675 119.578 120.200 0.088 0.000 2.085 181 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 181 E C 2.332 178.981 176.600 0.082 0.000 0.994 181 E CA 1.586 58.033 56.400 0.078 0.000 0.801 181 E CB -0.693 29.061 29.700 0.090 0.000 0.743 181 E HN 0.444 nan 8.360 nan 0.000 0.453 182 V N 0.677 120.664 119.914 0.122 0.000 2.594 182 V HA -0.207 3.913 4.120 -0.000 0.000 0.253 182 V C 1.941 178.067 176.094 0.052 0.000 1.069 182 V CA 1.380 63.752 62.300 0.119 0.000 1.082 182 V CB -0.281 31.674 31.823 0.219 0.000 0.680 182 V HN 0.318 nan 8.190 nan 0.000 0.469 183 c N 0.992 119.582 118.600 -0.017 0.000 2.576 183 c HA 0.432 5.002 4.570 -0.000 0.000 0.267 183 c C 1.912 175.958 174.090 -0.073 0.000 1.364 183 c CA 0.298 56.533 56.329 -0.156 0.000 1.723 183 c CB -1.305 41.081 42.510 -0.207 0.000 1.778 183 c HN 0.887 nan 8.230 nan 0.000 0.572 184 G N 0.264 109.064 108.800 0.001 0.000 2.141 184 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.242 184 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.242 184 G C 0.298 175.201 174.900 0.005 0.000 0.982 184 G CA 0.020 45.130 45.100 0.017 0.000 0.662 184 G HN 0.801 nan 8.290 nan 0.000 0.527 185 G N -0.738 108.062 108.800 -0.000 0.000 2.451 185 G HA2 0.587 4.547 3.960 -0.000 0.000 0.303 185 G HA3 0.587 4.547 3.960 -0.000 0.000 0.303 185 G C -0.553 174.356 174.900 0.016 0.000 1.166 185 G CA -0.340 44.761 45.100 0.001 0.000 0.884 185 G HN 0.160 nan 8.290 nan 0.000 0.514 186 E N 0.974 121.181 120.200 0.012 0.000 2.220 186 E HA 0.103 4.453 4.350 -0.000 0.000 0.256 186 E C -0.637 175.974 176.600 0.019 0.000 0.881 186 E CA -0.903 55.505 56.400 0.013 0.000 0.766 186 E CB 1.709 31.409 29.700 -0.000 0.000 1.187 186 E HN 0.486 nan 8.360 nan 0.000 0.419 187 N N 3.319 122.042 118.700 0.038 0.000 2.434 187 N HA -0.019 4.721 4.740 -0.000 0.000 0.268 187 N C 1.190 176.723 175.510 0.039 0.000 1.256 187 N CA 0.001 53.092 53.050 0.069 0.000 0.914 187 N CB 0.423 38.956 38.487 0.078 0.000 1.088 187 N HN 0.599 nan 8.380 nan 0.000 0.478 188 I N 0.146 120.730 120.570 0.022 0.000 3.083 188 I HA 0.014 4.184 4.170 -0.000 0.000 0.273 188 I C -0.043 175.840 176.117 -0.390 0.000 1.297 188 I CA 1.022 62.212 61.300 -0.185 0.000 1.452 188 I CB -0.343 37.490 38.000 -0.277 0.000 1.078 188 I HN 0.218 nan 8.210 nan 0.000 0.484 189 F N 1.739 121.736 119.950 0.079 0.000 2.850 189 F HA 0.280 4.807 4.527 -0.000 0.000 0.329 189 F C 1.769 177.577 175.800 0.013 0.000 1.182 189 F CA -0.670 57.364 58.000 0.058 0.000 1.270 189 F CB 0.266 39.327 39.000 0.101 0.000 0.979 189 F HN -0.016 nan 8.300 nan 0.000 0.506 190 K N -0.188 120.273 120.400 0.102 0.000 2.360 190 K HA -0.183 4.137 4.320 -0.000 0.000 0.201 190 K C 0.807 177.434 176.600 0.046 0.000 1.046 190 K CA 2.016 58.336 56.287 0.054 0.000 0.945 190 K CB -0.468 32.048 32.500 0.027 0.000 0.750 190 K HN 0.387 nan 8.250 nan 0.000 0.464 191 D N 0.234 120.669 120.400 0.058 0.000 2.339 191 D HA -0.033 4.607 4.640 -0.000 0.000 0.217 191 D C 0.290 176.632 176.300 0.070 0.000 1.050 191 D CA -0.339 53.690 54.000 0.049 0.000 0.856 191 D CB 0.341 41.160 40.800 0.032 0.000 0.922 191 D HN 0.110 nan 8.370 nan 0.000 0.518 192 S N 0.098 115.860 115.700 0.104 0.000 2.558 192 S HA -0.006 4.464 4.470 -0.000 0.000 0.293 192 S C 1.126 175.753 174.600 0.045 0.000 1.292 192 S CA -0.352 57.904 58.200 0.093 0.000 1.063 192 S CB 0.564 63.813 63.200 0.081 0.000 0.831 192 S HN 0.282 nan 8.310 nan 0.000 0.499 193 R N 2.386 122.911 120.500 0.043 0.000 2.297 193 R HA 0.159 4.499 4.340 -0.000 0.000 0.197 193 R C -0.264 176.052 176.300 0.026 0.000 0.943 193 R CA 0.185 56.303 56.100 0.030 0.000 1.038 193 R CB 0.223 30.541 30.300 0.030 0.000 0.957 193 R HN 0.395 nan 8.270 nan 0.000 0.484 194 V N 2.490 122.420 119.914 0.027 0.000 2.513 194 V HA 0.141 4.261 4.120 -0.000 0.000 0.299 194 V C -1.353 174.748 176.094 0.012 0.000 1.035 194 V CA -1.720 60.600 62.300 0.034 0.000 0.889 194 V CB 2.052 33.903 31.823 0.047 0.000 0.988 194 V HN -0.013 nan 8.190 nan 0.000 0.440 195 P HA -0.109 nan 4.420 nan 0.000 0.214 195 P C -0.073 177.080 177.300 -0.245 0.000 1.163 195 P CA 1.506 64.589 63.100 -0.028 0.000 0.883 195 P CB 0.268 32.066 31.700 0.163 0.000 0.788 196 W N 1.653 122.975 121.300 0.036 0.000 2.104 196 W HA 0.359 5.019 4.660 -0.000 0.000 0.291 196 W C -2.296 174.316 176.519 0.155 0.000 0.936 196 W CA -1.902 55.482 57.345 0.066 0.000 1.856 196 W CB 0.411 29.878 29.460 0.012 0.000 2.036 196 W HN -0.001 nan 8.180 nan 0.000 0.393 197 P HA 0.037 nan 4.420 nan 0.000 0.274 197 P C -0.610 176.664 177.300 -0.043 0.000 1.231 197 P CA -0.118 63.020 63.100 0.064 0.000 0.790 197 P CB 1.542 33.217 31.700 -0.041 0.000 0.951 198 Q N 1.257 120.897 119.800 -0.266 0.000 2.257 198 Q HA 0.468 4.808 4.340 -0.000 0.000 0.255 198 Q C -0.671 175.148 176.000 -0.301 0.000 0.920 198 Q CA -0.715 54.714 55.803 -0.622 0.000 0.927 198 Q CB 1.101 29.349 28.738 -0.817 0.000 1.229 198 Q HN 0.399 nan 8.270 nan 0.000 0.433 199 V N 0.500 120.281 119.914 -0.221 0.000 3.001 199 V HA 0.767 4.887 4.120 -0.000 0.000 0.314 199 V C -0.317 175.769 176.094 -0.014 0.000 1.099 199 V CA -0.783 61.433 62.300 -0.140 0.000 0.989 199 V CB 1.601 33.241 31.823 -0.305 0.000 1.040 199 V HN 0.864 nan 8.190 nan 0.000 0.434 200 S N 1.712 117.428 115.700 0.027 0.000 2.646 200 S HA 0.472 4.942 4.470 -0.000 0.000 0.276 200 S C 0.863 175.535 174.600 0.120 0.000 1.222 200 S CA -0.115 58.121 58.200 0.060 0.000 1.014 200 S CB 1.554 64.773 63.200 0.033 0.000 0.991 200 S HN 1.014 nan 8.310 nan 0.000 0.533 201 R N 0.788 121.337 120.500 0.082 0.000 2.120 201 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 201 R C 1.829 178.215 176.300 0.144 0.000 1.123 201 R CA 1.911 58.067 56.100 0.094 0.000 0.975 201 R CB -0.390 29.716 30.300 -0.323 0.000 0.866 201 R HN 0.895 nan 8.270 nan 0.000 0.446 202 E N 0.246 120.480 120.200 0.057 0.000 2.031 202 E HA -0.250 4.099 4.350 -0.000 0.000 0.193 202 E C 2.167 178.810 176.600 0.071 0.000 0.994 202 E CA 1.591 58.019 56.400 0.046 0.000 0.800 202 E CB -0.118 29.595 29.700 0.021 0.000 0.752 202 E HN 0.510 nan 8.360 nan 0.000 0.447 203 Q N 0.514 120.376 119.800 0.105 0.000 2.096 203 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 203 Q C 2.431 178.523 176.000 0.154 0.000 0.982 203 Q CA 1.490 57.386 55.803 0.155 0.000 0.850 203 Q CB -0.139 28.749 28.738 0.250 0.000 0.901 203 Q HN 0.154 nan 8.270 nan 0.000 0.422 204 V N 1.216 121.219 119.914 0.147 0.000 2.270 204 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 204 V C 2.220 178.233 176.094 -0.134 0.000 1.043 204 V CA 1.558 63.813 62.300 -0.075 0.000 1.014 204 V CB -0.572 30.992 31.823 -0.431 0.000 0.645 204 V HN 0.343 nan 8.190 nan 0.000 0.447 205 L N 0.338 121.551 121.223 -0.016 0.000 2.127 205 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 205 L C 2.643 179.487 176.870 -0.045 0.000 1.089 205 L CA 1.462 56.290 54.840 -0.020 0.000 0.757 205 L CB -0.798 41.296 42.059 0.058 0.000 0.899 205 L HN 0.385 nan 8.230 nan 0.000 0.434 206 A N 0.054 122.854 122.820 -0.035 0.000 2.067 206 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 206 A C 2.125 179.659 177.584 -0.083 0.000 1.158 206 A CA 1.054 53.065 52.037 -0.044 0.000 0.661 206 A CB -0.331 18.655 19.000 -0.023 0.000 0.801 206 A HN 0.393 nan 8.150 nan 0.000 0.452 207 R N 0.400 120.819 120.500 -0.135 0.000 2.388 207 R HA 0.111 4.451 4.340 -0.000 0.000 0.247 207 R C 0.356 176.568 176.300 -0.148 0.000 0.931 207 R CA 0.577 56.569 56.100 -0.181 0.000 1.082 207 R CB -0.232 29.869 30.300 -0.331 0.000 1.135 207 R HN 0.655 nan 8.270 nan 0.000 0.525 208 S N 1.147 116.778 115.700 -0.116 0.000 3.255 208 S HA -0.103 4.367 4.470 -0.000 0.000 0.358 208 S C -1.829 172.713 174.600 -0.098 0.000 0.915 208 S CA -0.261 57.883 58.200 -0.094 0.000 1.335 208 S CB -1.319 61.840 63.200 -0.067 0.000 0.938 208 S HN 0.280 nan 8.310 nan 0.000 0.550 209 P HA 0.227 nan 4.420 nan 0.000 0.277 209 P C 0.306 177.558 177.300 -0.079 0.000 1.240 209 P CA -0.448 62.595 63.100 -0.094 0.000 0.798 209 P CB 0.680 32.318 31.700 -0.104 0.000 0.979 210 Q N 0.186 119.952 119.800 -0.056 0.000 2.356 210 Q HA 0.395 4.735 4.340 -0.000 0.000 0.205 210 Q C 0.335 176.306 176.000 -0.049 0.000 0.901 210 Q CA 0.190 55.965 55.803 -0.047 0.000 0.938 210 Q CB 0.543 29.260 28.738 -0.035 0.000 1.081 210 Q HN 0.599 nan 8.270 nan 0.000 0.517 211 A N 0.605 123.391 122.820 -0.056 0.000 2.608 211 A HA 0.617 4.937 4.320 -0.000 0.000 0.292 211 A C -1.700 175.844 177.584 -0.067 0.000 1.066 211 A CA -0.696 51.305 52.037 -0.061 0.000 0.676 211 A CB 1.120 20.088 19.000 -0.053 0.000 1.277 211 A HN 0.155 nan 8.150 nan 0.000 0.413 212 I N 1.369 121.891 120.570 -0.081 0.000 2.406 212 I HA 0.448 4.618 4.170 -0.000 0.000 0.290 212 I C -0.759 175.299 176.117 -0.098 0.000 0.999 212 I CA -1.003 60.250 61.300 -0.078 0.000 1.124 212 I CB 1.928 39.855 38.000 -0.121 0.000 1.289 212 I HN 0.335 nan 8.210 nan 0.000 0.441 213 V N 7.180 127.000 119.914 -0.157 0.000 2.394 213 V HA 0.500 4.620 4.120 -0.000 0.000 0.282 213 V C 0.119 176.048 176.094 -0.274 0.000 1.031 213 V CA -0.427 61.740 62.300 -0.222 0.000 0.881 213 V CB 1.477 33.140 31.823 -0.267 0.000 0.982 213 V HN 0.584 nan 8.190 nan 0.000 0.451 214 I N 2.163 122.596 120.570 -0.228 0.000 3.108 214 I HA 0.932 5.102 4.170 -0.000 0.000 0.312 214 I C -0.134 175.869 176.117 -0.188 0.000 1.095 214 I CA -0.608 60.563 61.300 -0.216 0.000 1.000 214 I CB 2.815 40.758 38.000 -0.094 0.000 1.229 214 I HN 0.591 nan 8.210 nan 0.000 0.454 215 T N 0.000 114.476 114.554 -0.131 0.000 2.885 215 T HA 0.894 5.244 4.350 -0.000 0.000 0.285 215 T C 0.080 174.748 174.700 -0.053 0.000 1.019 215 T CA -0.069 61.998 62.100 -0.054 0.000 1.010 215 T CB 1.310 70.224 68.868 0.077 0.000 1.022 215 T HN 1.896 nan 8.240 nan 0.000 0.466 216 G N 0.732 109.488 108.800 -0.073 0.000 2.342 216 G HA2 0.391 4.351 3.960 -0.000 0.000 0.220 216 G HA3 0.391 4.351 3.960 -0.000 0.000 0.220 216 G C -0.118 174.730 174.900 -0.087 0.000 1.243 216 G CA -0.336 44.719 45.100 -0.074 0.000 1.083 216 G HN 1.295 nan 8.290 nan 0.000 0.500 217 G N -0.535 108.224 108.800 -0.068 0.000 2.504 217 G HA2 0.597 4.557 3.960 -0.000 0.000 0.288 217 G HA3 0.597 4.557 3.960 -0.000 0.000 0.288 217 G C -1.160 173.711 174.900 -0.048 0.000 1.182 217 G CA -0.392 44.670 45.100 -0.064 0.000 0.894 217 G HN 0.483 nan 8.290 nan 0.000 0.521 218 P HA 0.006 nan 4.420 nan 0.000 0.230 218 P C 1.025 178.315 177.300 -0.016 0.000 1.158 218 P CA 0.593 63.676 63.100 -0.029 0.000 0.769 218 P CB 0.339 32.022 31.700 -0.029 0.000 0.807 219 D N -0.058 120.332 120.400 -0.018 0.000 2.263 219 D HA -0.168 4.472 4.640 -0.000 0.000 0.208 219 D C 1.800 178.098 176.300 -0.004 0.000 0.971 219 D CA 1.014 55.008 54.000 -0.010 0.000 0.867 219 D CB -0.142 40.651 40.800 -0.012 0.000 0.929 219 D HN 0.508 nan 8.370 nan 0.000 0.492 220 Q N -0.029 119.768 119.800 -0.006 0.000 2.408 220 Q HA 0.096 4.436 4.340 -0.000 0.000 0.205 220 Q C 2.135 178.145 176.000 0.017 0.000 0.919 220 Q CA 0.044 55.847 55.803 0.001 0.000 0.932 220 Q CB 0.005 28.738 28.738 -0.008 0.000 1.058 220 Q HN 0.220 nan 8.270 nan 0.000 0.517 221 I N 1.791 122.372 120.570 0.019 0.000 2.127 221 I HA -0.197 3.973 4.170 -0.000 0.000 0.241 221 I C -0.588 175.563 176.117 0.057 0.000 1.075 221 I CA 1.156 62.479 61.300 0.039 0.000 1.334 221 I CB -1.372 36.642 38.000 0.024 0.000 1.040 221 I HN 0.152 nan 8.210 nan 0.000 0.405 222 P HA -0.241 nan 4.420 nan 0.000 0.215 222 P C 1.567 178.902 177.300 0.059 0.000 1.163 222 P CA 1.659 64.787 63.100 0.046 0.000 0.894 222 P CB -0.054 31.664 31.700 0.030 0.000 0.791 223 K N -0.417 120.011 120.400 0.047 0.000 2.097 223 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 223 K C 2.008 178.653 176.600 0.075 0.000 1.049 223 K CA 1.226 57.541 56.287 0.046 0.000 0.933 223 K CB -0.507 32.005 32.500 0.019 0.000 0.717 223 K HN 0.059 nan 8.250 nan 0.000 0.442 224 I N 0.854 121.480 120.570 0.094 0.000 2.315 224 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 224 I C 2.125 178.426 176.117 0.307 0.000 1.117 224 I CA 1.160 62.564 61.300 0.175 0.000 1.404 224 I CB -0.124 37.999 38.000 0.205 0.000 1.071 224 I HN 0.152 nan 8.210 nan 0.000 0.419 225 K N 0.326 120.862 120.400 0.228 0.000 2.097 225 K HA -0.237 4.083 4.320 -0.000 0.000 0.206 225 K C 2.151 178.865 176.600 0.190 0.000 1.049 225 K CA 1.239 57.663 56.287 0.228 0.000 0.933 225 K CB -0.174 32.408 32.500 0.137 0.000 0.717 225 K HN 0.358 nan 8.250 nan 0.000 0.442 226 Q N 0.047 119.924 119.800 0.130 0.000 2.079 226 Q HA -0.210 4.130 4.340 -0.000 0.000 0.200 226 Q C 1.998 178.032 176.000 0.056 0.000 0.974 226 Q CA 1.357 57.209 55.803 0.080 0.000 0.840 226 Q CB -0.121 28.652 28.738 0.058 0.000 0.898 226 Q HN 0.343 nan 8.270 nan 0.000 0.430 227 Y N -0.583 119.657 120.300 -0.099 0.000 2.165 227 Y HA -0.256 4.294 4.550 -0.000 0.000 0.286 227 Y C 1.173 176.857 175.900 -0.361 0.000 1.155 227 Y CA 2.068 59.994 58.100 -0.290 0.000 1.164 227 Y CB -0.417 37.767 38.460 -0.461 0.000 0.978 227 Y HN 0.198 nan 8.280 nan 0.000 0.513 228 W N 0.246 121.604 121.300 0.096 0.000 3.003 228 W HA 0.364 5.024 4.660 0.000 0.000 0.257 228 W C 0.652 177.147 176.519 -0.039 0.000 1.308 228 W CA 0.793 58.136 57.345 -0.002 0.000 1.529 228 W CB 0.118 29.637 29.460 0.100 0.000 1.115 228 W HN 0.231 nan 8.180 nan 0.000 0.659 229 G N 1.368 110.252 108.800 0.141 0.000 3.435 229 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.683 229 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.683 229 G C 0.411 175.366 174.900 0.092 0.000 1.189 229 G CA -0.300 44.848 45.100 0.080 0.000 1.069 229 G HN 0.378 nan 8.290 nan 0.000 0.508 230 E N 1.233 121.471 120.200 0.064 0.000 2.160 230 E HA -0.252 4.098 4.350 -0.000 0.000 0.195 230 E C 1.966 178.593 176.600 0.045 0.000 0.991 230 E CA 1.574 58.008 56.400 0.057 0.000 0.810 230 E CB -0.072 29.651 29.700 0.040 0.000 0.742 230 E HN 0.747 nan 8.360 nan 0.000 0.466 231 Q N 0.787 120.609 119.800 0.037 0.000 2.119 231 Q HA -0.061 4.279 4.340 -0.000 0.000 0.201 231 Q C 2.441 178.459 176.000 0.030 0.000 0.972 231 Q CA 1.233 57.052 55.803 0.027 0.000 0.847 231 Q CB -0.182 28.568 28.738 0.019 0.000 0.903 231 Q HN 0.387 nan 8.270 nan 0.000 0.433 232 L N 0.768 122.016 121.223 0.042 0.000 2.127 232 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 232 L C 0.574 177.462 176.870 0.031 0.000 1.089 232 L CA 0.949 55.811 54.840 0.038 0.000 0.757 232 L CB -0.565 41.529 42.059 0.058 0.000 0.899 232 L HN 0.256 nan 8.230 nan 0.000 0.434 233 K N 0.742 121.166 120.400 0.041 0.000 3.035 233 K HA -0.195 4.125 4.320 -0.000 0.000 0.262 233 K C 0.103 176.716 176.600 0.022 0.000 1.024 233 K CA 0.584 56.890 56.287 0.032 0.000 0.748 233 K CB -1.975 30.537 32.500 0.020 0.000 1.247 233 K HN 0.550 nan 8.250 nan 0.000 0.482 234 I N -2.112 118.471 120.570 0.022 0.000 2.474 234 I HA 0.341 4.511 4.170 -0.000 0.000 0.287 234 I C -1.951 174.165 176.117 -0.002 0.000 1.048 234 I CA -2.485 58.811 61.300 -0.006 0.000 1.383 234 I CB 0.513 38.487 38.000 -0.043 0.000 1.412 234 I HN -0.234 nan 8.210 nan 0.000 0.531 235 P HA 0.119 nan 4.420 nan 0.000 0.265 235 P C -0.801 176.487 177.300 -0.019 0.000 1.193 235 P CA -0.104 62.988 63.100 -0.013 0.000 0.765 235 P CB 0.846 32.533 31.700 -0.021 0.000 0.823 236 V N 5.383 125.294 119.914 -0.006 0.000 2.378 236 V HA 0.337 4.457 4.120 -0.000 0.000 0.288 236 V C 0.238 176.312 176.094 -0.033 0.000 1.016 236 V CA -0.366 61.930 62.300 -0.007 0.000 0.840 236 V CB 1.200 33.046 31.823 0.039 0.000 0.994 236 V HN 0.404 nan 8.190 nan 0.000 0.431 237 I N 8.216 128.746 120.570 -0.067 0.000 2.330 237 I HA 0.355 4.525 4.170 -0.000 0.000 0.286 237 I C -2.246 173.797 176.117 -0.123 0.000 1.025 237 I CA -1.812 59.433 61.300 -0.092 0.000 1.197 237 I CB 2.138 40.068 38.000 -0.115 0.000 1.358 237 I HN 0.414 nan 8.210 nan 0.000 0.467 238 P HA 0.341 nan 4.420 nan 0.000 0.286 238 P C -1.052 176.158 177.300 -0.150 0.000 1.269 238 P CA -0.244 62.785 63.100 -0.119 0.000 0.787 238 P CB 1.493 33.142 31.700 -0.086 0.000 0.920 239 L N 2.309 123.422 121.223 -0.183 0.000 2.346 239 L HA 0.379 4.719 4.340 -0.000 0.000 0.274 239 L C 0.692 177.468 176.870 -0.158 0.000 1.007 239 L CA -0.804 53.923 54.840 -0.189 0.000 0.818 239 L CB 1.873 43.728 42.059 -0.340 0.000 1.284 239 L HN 0.240 nan 8.230 nan 0.000 0.424 240 T N 0.890 115.307 114.554 -0.228 0.000 2.831 240 T HA -0.024 4.326 4.350 -0.000 0.000 0.291 240 T C 1.310 175.901 174.700 -0.183 0.000 0.981 240 T CA -0.053 61.800 62.100 -0.413 0.000 1.174 240 T CB 0.902 69.085 68.868 -1.143 0.000 0.929 240 T HN 0.700 nan 8.240 nan 0.000 0.532 241 S N 3.543 119.159 115.700 -0.140 0.000 2.359 241 S HA -0.178 4.292 4.470 -0.000 0.000 0.222 241 S C 1.844 176.457 174.600 0.021 0.000 1.038 241 S CA 1.412 59.603 58.200 -0.015 0.000 1.051 241 S CB -0.322 62.852 63.200 -0.044 0.000 0.944 241 S HN 0.734 nan 8.310 nan 0.000 0.433 242 D N 0.166 120.534 120.400 -0.053 0.000 2.133 242 D HA -0.115 4.525 4.640 -0.000 0.000 0.195 242 D C 1.614 178.019 176.300 0.176 0.000 0.997 242 D CA 0.956 54.966 54.000 0.016 0.000 0.840 242 D CB -0.222 40.565 40.800 -0.022 0.000 0.947 242 D HN 0.472 nan 8.370 nan 0.000 0.452 243 W N -0.072 121.208 121.300 -0.033 0.000 2.355 243 W HA -0.037 4.624 4.660 0.000 0.000 0.309 243 W C 2.244 178.826 176.519 0.106 0.000 1.206 243 W CA 0.029 57.373 57.345 -0.002 0.000 1.284 243 W CB -1.460 28.002 29.460 0.004 0.000 1.145 243 W HN -0.020 nan 8.180 nan 0.000 0.502 244 F N 0.991 121.068 119.950 0.211 0.000 2.416 244 F HA 0.014 4.541 4.527 -0.000 0.000 0.296 244 F C 1.836 177.717 175.800 0.135 0.000 1.099 244 F CA 1.249 59.343 58.000 0.157 0.000 1.427 244 F CB -0.264 38.825 39.000 0.148 0.000 1.079 244 F HN -0.102 nan 8.300 nan 0.000 0.536 245 E N -0.193 120.069 120.200 0.103 0.000 2.479 245 E HA 0.082 4.432 4.350 -0.000 0.000 0.193 245 E C 0.181 176.679 176.600 -0.170 0.000 1.049 245 E CA 0.011 56.367 56.400 -0.072 0.000 0.870 245 E CB 0.317 30.004 29.700 -0.021 0.000 0.944 245 E HN 0.248 nan 8.360 nan 0.000 0.492 246 R N 0.843 121.274 120.500 -0.116 0.000 2.338 246 R HA 0.443 4.783 4.340 -0.000 0.000 0.317 246 R C -0.587 175.614 176.300 -0.164 0.000 0.968 246 R CA -0.443 55.550 56.100 -0.177 0.000 0.849 246 R CB 1.581 31.812 30.300 -0.116 0.000 1.128 246 R HN -0.076 nan 8.270 nan 0.000 0.448 247 A N 2.549 125.228 122.820 -0.234 0.000 2.990 247 A HA 0.310 4.630 4.320 -0.000 0.000 0.282 247 A C -0.414 177.088 177.584 -0.136 0.000 1.688 247 A CA -0.061 51.870 52.037 -0.176 0.000 1.391 247 A CB -0.414 18.465 19.000 -0.202 0.000 1.112 247 A HN 0.742 nan 8.150 nan 0.000 0.588 248 S N 0.561 116.206 115.700 -0.091 0.000 2.643 248 S HA 0.589 5.059 4.470 -0.000 0.000 0.270 248 S C -2.570 172.005 174.600 -0.042 0.000 1.166 248 S CA -1.064 57.104 58.200 -0.053 0.000 0.815 248 S CB 0.914 64.094 63.200 -0.033 0.000 1.139 248 S HN 0.071 nan 8.310 nan 0.000 0.472 249 P HA -0.143 nan 4.420 nan 0.000 0.218 249 P C 1.034 178.288 177.300 -0.076 0.000 1.150 249 P CA 1.318 64.399 63.100 -0.031 0.000 0.841 249 P CB -0.006 31.694 31.700 0.001 0.000 0.784 250 R N -1.345 119.091 120.500 -0.105 0.000 2.357 250 R HA -0.027 4.313 4.340 -0.000 0.000 0.202 250 R C 1.976 178.168 176.300 -0.179 0.000 1.047 250 R CA 0.275 56.236 56.100 -0.232 0.000 1.034 250 R CB -0.859 29.266 30.300 -0.291 0.000 0.875 250 R HN 0.238 nan 8.270 nan 0.000 0.473 251 I N 1.101 121.632 120.570 -0.064 0.000 2.567 251 I HA -0.254 3.916 4.170 -0.000 0.000 0.257 251 I C 1.683 177.803 176.117 0.005 0.000 1.184 251 I CA 1.250 62.557 61.300 0.013 0.000 1.451 251 I CB 0.025 38.020 38.000 -0.008 0.000 1.089 251 I HN 0.078 nan 8.210 nan 0.000 0.441 252 I N -0.120 120.414 120.570 -0.060 0.000 2.315 252 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 252 I C 2.379 178.436 176.117 -0.100 0.000 1.117 252 I CA 1.357 62.632 61.300 -0.042 0.000 1.404 252 I CB -1.107 36.866 38.000 -0.045 0.000 1.071 252 I HN 0.275 nan 8.210 nan 0.000 0.419 253 L N 0.575 121.630 121.223 -0.281 0.000 2.093 253 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 253 L C 2.781 179.580 176.870 -0.119 0.000 1.085 253 L CA 1.195 55.750 54.840 -0.476 0.000 0.755 253 L CB -0.651 40.563 42.059 -1.407 0.000 0.904 253 L HN 0.164 nan 8.230 nan 0.000 0.435 254 A N 0.040 122.913 122.820 0.088 0.000 1.930 254 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 254 A C 2.533 180.195 177.584 0.130 0.000 1.175 254 A CA 1.559 53.763 52.037 0.280 0.000 0.627 254 A CB -0.574 18.688 19.000 0.437 0.000 0.815 254 A HN 0.382 nan 8.150 nan 0.000 0.443 255 A N -0.666 122.219 122.820 0.108 0.000 1.898 255 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 255 A C 2.116 179.707 177.584 0.010 0.000 1.181 255 A CA 1.613 53.691 52.037 0.069 0.000 0.620 255 A CB -0.545 18.517 19.000 0.104 0.000 0.819 255 A HN 0.632 nan 8.150 nan 0.000 0.442 256 Q N -1.024 118.793 119.800 0.027 0.000 2.084 256 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 256 Q C 2.341 178.360 176.000 0.031 0.000 0.978 256 Q CA 1.705 57.532 55.803 0.041 0.000 0.844 256 Q CB -0.159 28.598 28.738 0.032 0.000 0.898 256 Q HN 0.841 nan 8.270 nan 0.000 0.426 257 Q N 0.303 120.136 119.800 0.056 0.000 2.046 257 Q HA -0.189 4.151 4.340 -0.000 0.000 0.200 257 Q C 2.080 178.063 176.000 -0.029 0.000 0.975 257 Q CA 1.050 56.893 55.803 0.067 0.000 0.836 257 Q CB -0.010 28.832 28.738 0.173 0.000 0.896 257 Q HN 0.301 nan 8.270 nan 0.000 0.428 258 L N 0.130 121.304 121.223 -0.082 0.000 2.027 258 L HA -0.149 4.191 4.340 -0.000 0.000 0.206 258 L C 2.255 179.014 176.870 -0.185 0.000 1.074 258 L CA 1.666 56.413 54.840 -0.156 0.000 0.745 258 L CB -0.844 41.094 42.059 -0.201 0.000 0.898 258 L HN 0.357 nan 8.230 nan 0.000 0.433 259 c N -0.083 118.358 118.600 -0.265 0.000 2.413 259 c HA -0.158 4.412 4.570 -0.000 0.000 0.276 259 c C 2.653 176.505 174.090 -0.397 0.000 1.248 259 c CA 1.280 57.269 56.329 -0.566 0.000 1.742 259 c CB -1.516 40.319 42.510 -1.125 0.000 2.017 259 c HN 0.767 nan 8.230 nan 0.000 0.481 260 N N 1.033 119.646 118.700 -0.144 0.000 2.106 260 N HA -0.077 4.663 4.740 -0.000 0.000 0.188 260 N C 1.693 177.198 175.510 -0.009 0.000 1.029 260 N CA 1.898 54.961 53.050 0.022 0.000 0.848 260 N CB -0.266 38.260 38.487 0.065 0.000 1.007 260 N HN 0.408 nan 8.380 nan 0.000 0.423 261 A N 0.564 123.356 122.820 -0.046 0.000 1.902 261 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 261 A C 2.328 179.881 177.584 -0.051 0.000 1.181 261 A CA 0.968 52.977 52.037 -0.045 0.000 0.623 261 A CB -0.880 18.079 19.000 -0.067 0.000 0.818 261 A HN 0.390 nan 8.150 nan 0.000 0.443 262 L N 0.558 121.732 121.223 -0.083 0.000 2.131 262 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 262 L C 2.935 179.785 176.870 -0.035 0.000 1.092 262 L CA 1.568 56.365 54.840 -0.071 0.000 0.759 262 L CB -0.369 41.628 42.059 -0.103 0.000 0.903 262 L HN 0.648 nan 8.230 nan 0.000 0.435 263 S N -1.279 114.412 115.700 -0.015 0.000 2.469 263 S HA -0.224 4.246 4.470 -0.000 0.000 0.238 263 S C 1.675 176.295 174.600 0.033 0.000 0.998 263 S CA 0.821 59.049 58.200 0.047 0.000 0.957 263 S CB -0.209 63.075 63.200 0.140 0.000 0.764 263 S HN 0.521 nan 8.310 nan 0.000 0.514 264 Q N 0.316 120.125 119.800 0.015 0.000 2.424 264 Q HA 0.239 4.579 4.340 -0.000 0.000 0.204 264 Q C -0.304 175.697 176.000 0.001 0.000 0.933 264 Q CA 0.104 55.913 55.803 0.010 0.000 0.929 264 Q CB 0.378 29.120 28.738 0.007 0.000 1.037 264 Q HN 0.395 nan 8.270 nan 0.000 0.511 265 V N 3.617 123.528 119.914 -0.006 0.000 2.287 265 V HA 0.031 4.151 4.120 -0.000 0.000 0.246 265 V C -0.427 175.665 176.094 -0.004 0.000 1.165 265 V CA -0.045 62.249 62.300 -0.010 0.000 1.088 265 V CB -0.639 31.172 31.823 -0.020 0.000 1.242 265 V HN 0.283 nan 8.190 nan 0.000 0.497 266 D N 0.000 120.400 120.400 -0.001 0.000 6.856 266 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 266 D CA 0.000 54.001 54.000 0.002 0.000 0.868 266 D CB 0.000 40.804 40.800 0.007 0.000 0.688 266 D HN 0.000 nan 8.370 nan 0.000 0.683