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 1cl1_1_B DATA FIRST_RESID 4 DATA SEQUENCE KKLDTQLVNA GRSKKYTLGA VNSVIQRASS LVFDSVEAKK HATRNRANGE DATA SEQUENCE LFYGRRGTLT HFSLQQAMCE LEGGAGCVLF PCGAAAVANS ILAFIEQGDH DATA SEQUENCE VLMTNTAYEP SQDFCSKILS KLGVTTSWFD PLIGADIVKH LQPNTKIVFL DATA SEQUENCE ESPGSITMEV HDVPAIVAAV RSVVPDAIIM IDNTWAAGVL FKALDFGIDV DATA SEQUENCE SIQAATXYLV GHSDAMIGTA VCNARCWEQL RENAYLMGQM VDADTAYITS DATA SEQUENCE RGLRTLGVRL RQHHESSLKV AEWLAEHPQV ARVNHPALPG SKGHEFWKRD DATA SEQUENCE FTGSSGLFSF VLKKKLNNEE LANYLDNFSL FSMAYSWGGY ESLILANQPE DATA SEQUENCE HIAAIRPQGE IDFSGTLIRL HIGLEDVDDL IADLDAGFAR IV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.600 176.600 -0.000 0.000 0.988 4 K CA 0.000 56.286 56.287 -0.001 0.000 0.838 4 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 5 K N 2.221 122.623 120.400 0.002 0.000 2.149 5 K HA 0.139 nan 4.320 nan 0.000 0.245 5 K C 1.046 177.650 176.600 0.007 0.000 1.024 5 K CA -0.934 55.356 56.287 0.005 0.000 0.899 5 K CB 0.782 33.286 32.500 0.007 0.000 1.038 5 K HN -0.142 8.110 8.250 0.003 0.000 0.496 6 L N 2.632 123.862 121.223 0.010 0.000 2.021 6 L HA -0.353 nan 4.340 nan 0.000 0.215 6 L C 1.182 178.061 176.870 0.015 0.000 1.074 6 L CA 3.189 58.037 54.840 0.014 0.000 0.760 6 L CB -0.566 41.506 42.059 0.021 0.000 0.889 6 L HN 0.259 8.495 8.230 0.011 0.000 0.433 7 D N -4.746 115.663 120.400 0.016 0.000 2.149 7 D HA -0.252 nan 4.640 nan 0.000 0.198 7 D C 2.806 179.114 176.300 0.013 0.000 0.990 7 D CA 3.785 57.795 54.000 0.016 0.000 0.839 7 D CB -0.826 39.983 40.800 0.015 0.000 0.948 7 D HN 0.429 8.808 8.370 0.016 0.000 0.460 8 T N 2.763 117.323 114.554 0.010 0.000 2.857 8 T HA -0.174 nan 4.350 nan 0.000 0.266 8 T C 2.097 176.802 174.700 0.010 0.000 1.048 8 T CA 3.976 66.081 62.100 0.009 0.000 1.139 8 T CB -0.404 68.469 68.868 0.007 0.000 0.874 8 T HN -0.560 7.667 8.240 0.010 0.019 0.455 9 Q N 1.704 121.509 119.800 0.009 0.000 2.079 9 Q HA -0.315 nan 4.340 nan 0.000 0.200 9 Q C 2.312 178.318 176.000 0.011 0.000 0.974 9 Q CA 3.528 59.336 55.803 0.009 0.000 0.840 9 Q CB -0.083 28.659 28.738 0.006 0.000 0.898 9 Q HN -0.366 7.824 8.270 0.009 0.085 0.430 10 L N -1.267 119.963 121.223 0.012 0.000 2.083 10 L HA -0.351 nan 4.340 nan 0.000 0.209 10 L C 2.168 179.044 176.870 0.010 0.000 1.083 10 L CA 3.332 58.180 54.840 0.013 0.000 0.752 10 L CB -0.303 41.767 42.059 0.019 0.000 0.899 10 L HN 0.206 8.444 8.230 0.013 0.000 0.433 11 V N -0.967 118.953 119.914 0.010 0.000 2.548 11 V HA -0.416 nan 4.120 nan 0.000 0.249 11 V C 2.139 178.239 176.094 0.010 0.000 1.055 11 V CA 4.496 66.801 62.300 0.008 0.000 1.065 11 V CB -0.779 31.049 31.823 0.010 0.000 0.681 11 V HN -0.301 7.896 8.190 0.012 0.000 0.462 12 N N -2.131 116.576 118.700 0.013 0.000 2.322 12 N HA 0.061 nan 4.740 nan 0.000 0.181 12 N C -0.333 175.193 175.510 0.027 0.000 1.088 12 N CA 0.677 53.739 53.050 0.020 0.000 0.885 12 N CB 1.201 39.699 38.487 0.019 0.000 1.013 12 N HN -0.558 7.738 8.380 0.012 0.092 0.472 13 A N -0.423 122.409 122.820 0.021 0.000 2.561 13 A HA -0.212 nan 4.320 nan 0.000 0.251 13 A C 0.210 177.815 177.584 0.035 0.000 1.062 13 A CA 1.780 53.832 52.037 0.024 0.000 0.761 13 A CB -0.723 18.284 19.000 0.013 0.000 0.986 13 A HN 0.039 8.198 8.150 0.015 0.000 0.510 14 G N 2.694 111.533 108.800 0.066 0.000 2.184 14 G HA2 -0.527 nan 3.960 nan 0.000 0.264 14 G HA3 -0.527 nan 3.960 nan 0.000 0.264 14 G C 0.128 175.136 174.900 0.180 0.000 0.975 14 G CA 0.997 46.161 45.100 0.106 0.000 0.642 14 G HN 0.365 8.695 8.290 0.067 0.000 0.536 15 R N 1.043 121.621 120.500 0.130 0.000 4.609 15 R HA 0.075 nan 4.340 nan 0.000 0.235 15 R C -0.968 175.411 176.300 0.131 0.000 1.836 15 R CA -1.264 54.916 56.100 0.134 0.000 1.564 15 R CB -1.051 29.292 30.300 0.071 0.000 1.382 15 R HN -0.359 7.893 8.270 0.089 0.071 0.776 16 S N -0.095 115.712 115.700 0.178 0.000 2.610 16 S HA 0.146 nan 4.470 nan 0.000 0.273 16 S C 1.134 175.726 174.600 -0.012 0.000 1.274 16 S CA -0.909 57.313 58.200 0.037 0.000 1.023 16 S CB 1.910 65.081 63.200 -0.049 0.000 0.962 16 S HN -0.538 7.911 8.310 0.344 0.068 0.523 17 K N 3.248 123.626 120.400 -0.037 0.000 2.173 17 K HA -0.397 nan 4.320 nan 0.000 0.207 17 K C 2.116 178.675 176.600 -0.067 0.000 1.046 17 K CA 3.794 60.063 56.287 -0.031 0.000 0.929 17 K CB -0.263 32.220 32.500 -0.028 0.000 0.720 17 K HN 0.682 8.912 8.250 -0.032 0.000 0.453 18 K N -1.162 119.121 120.400 -0.194 0.000 2.211 18 K HA -0.210 nan 4.320 nan 0.000 0.204 18 K C 1.026 177.510 176.600 -0.192 0.000 1.047 18 K CA 2.112 58.241 56.287 -0.263 0.000 0.935 18 K CB -0.517 31.707 32.500 -0.461 0.000 0.728 18 K HN 0.021 8.113 8.250 -0.228 0.021 0.452 19 Y N -5.155 115.189 120.300 0.073 0.000 2.522 19 Y HA 0.155 nan 4.550 nan 0.000 0.277 19 Y C 1.579 177.515 175.900 0.060 0.000 1.104 19 Y CA 1.164 59.310 58.100 0.076 0.000 1.260 19 Y CB 0.772 39.283 38.460 0.085 0.000 1.151 19 Y HN -0.173 7.845 8.280 -0.186 0.150 0.539 20 T N -2.908 111.756 114.554 0.183 0.000 3.009 20 T HA 0.016 nan 4.350 nan 0.000 0.258 20 T C 1.146 175.895 174.700 0.080 0.000 1.063 20 T CA 1.612 63.787 62.100 0.126 0.000 1.139 20 T CB 0.802 69.731 68.868 0.101 0.000 0.890 20 T HN -0.179 8.148 8.240 0.145 0.000 0.471 21 L N -0.980 120.277 121.223 0.057 0.000 3.717 21 L HA -0.536 nan 4.340 nan 0.000 0.414 21 L C 0.292 177.180 176.870 0.029 0.000 1.228 21 L CA 0.544 55.406 54.840 0.036 0.000 0.918 21 L CB -2.407 39.675 42.059 0.039 0.000 1.865 21 L HN 0.159 8.310 8.230 0.052 0.110 0.922 22 G N -4.814 104.004 108.800 0.030 0.000 2.259 22 G HA2 -0.356 nan 3.960 nan 0.000 0.217 22 G HA3 -0.356 nan 3.960 nan 0.000 0.217 22 G C -0.323 174.595 174.900 0.030 0.000 1.001 22 G CA -0.587 44.528 45.100 0.024 0.000 0.627 22 G HN -0.330 7.964 8.290 0.033 0.016 0.501 23 A N -0.008 122.837 122.820 0.040 0.000 2.246 23 A HA 0.206 nan 4.320 nan 0.000 0.291 23 A C 0.203 177.818 177.584 0.053 0.000 1.103 23 A CA -0.904 51.160 52.037 0.046 0.000 0.844 23 A CB 1.482 20.516 19.000 0.056 0.000 1.136 23 A HN -0.509 7.497 8.150 0.046 0.172 0.500 24 V N -2.018 117.928 119.914 0.053 0.000 2.407 24 V HA -0.157 nan 4.120 nan 0.000 0.245 24 V C 0.090 176.219 176.094 0.059 0.000 1.041 24 V CA 2.429 64.757 62.300 0.048 0.000 1.040 24 V CB 0.089 31.934 31.823 0.037 0.000 0.671 24 V HN 0.267 8.489 8.190 0.052 0.000 0.455 25 N N -2.035 116.718 118.700 0.087 0.000 2.482 25 N HA 0.122 nan 4.740 nan 0.000 0.279 25 N C -1.253 174.360 175.510 0.172 0.000 1.182 25 N CA -0.443 52.671 53.050 0.107 0.000 0.969 25 N CB 2.409 40.988 38.487 0.154 0.000 1.201 25 N HN -0.279 8.160 8.380 0.099 0.000 0.523 26 S N -1.286 114.520 115.700 0.177 0.000 2.568 26 S HA 0.006 nan 4.470 nan 0.000 0.282 26 S C 1.058 175.795 174.600 0.229 0.000 1.338 26 S CA 0.219 58.538 58.200 0.199 0.000 1.045 26 S CB 0.821 64.104 63.200 0.138 0.000 0.873 26 S HN -0.251 8.117 8.310 0.097 0.000 0.516 27 V N -2.868 117.126 119.914 0.133 0.000 3.051 27 V HA 0.266 nan 4.120 nan 0.000 0.306 27 V C -0.277 175.809 176.094 -0.013 0.000 1.083 27 V CA -0.995 61.331 62.300 0.042 0.000 1.104 27 V CB 0.971 32.811 31.823 0.029 0.000 1.027 27 V HN 0.366 8.643 8.190 0.145 0.000 0.483 28 I N 1.598 122.091 120.570 -0.127 0.000 2.307 28 I HA 0.236 nan 4.170 nan 0.000 0.289 28 I C -0.973 175.076 176.117 -0.113 0.000 1.021 28 I CA -0.557 60.642 61.300 -0.168 0.000 1.224 28 I CB -0.165 37.653 38.000 -0.304 0.000 1.376 28 I HN -0.123 7.996 8.210 -0.150 0.000 0.470 29 Q N 9.022 128.767 119.800 -0.092 0.000 2.425 29 Q HA 0.275 nan 4.340 nan 0.000 0.254 29 Q C -1.420 174.537 176.000 -0.072 0.000 1.032 29 Q CA -1.590 54.170 55.803 -0.071 0.000 0.798 29 Q CB 1.662 30.368 28.738 -0.054 0.000 1.210 29 Q HN 0.604 8.812 8.270 -0.103 0.000 0.491 30 R N 6.890 127.348 120.500 -0.071 0.000 2.234 30 R HA 0.231 nan 4.340 nan 0.000 0.324 30 R C -1.072 175.189 176.300 -0.065 0.000 1.054 30 R CA -0.021 56.042 56.100 -0.062 0.000 0.912 30 R CB 0.419 30.680 30.300 -0.064 0.000 1.030 30 R HN 0.424 8.650 8.270 -0.073 0.000 0.455 31 A N 4.320 127.095 122.820 -0.075 0.000 2.590 31 A HA 0.342 nan 4.320 nan 0.000 0.294 31 A C -1.664 175.819 177.584 -0.169 0.000 1.046 31 A CA -0.358 51.616 52.037 -0.105 0.000 0.684 31 A CB 1.590 20.527 19.000 -0.105 0.000 1.279 31 A HN 0.223 8.336 8.150 -0.061 0.000 0.415 32 S N -0.744 114.844 115.700 -0.186 0.000 2.877 32 S HA 0.035 nan 4.470 nan 0.000 0.230 32 S C 0.173 174.612 174.600 -0.268 0.000 0.999 32 S CA -0.128 57.878 58.200 -0.323 0.000 0.866 32 S CB 0.941 64.043 63.200 -0.163 0.000 0.819 32 S HN 0.155 8.389 8.310 -0.127 0.000 0.607 33 S N 3.280 118.936 115.700 -0.074 0.000 2.549 33 S HA 0.025 nan 4.470 nan 0.000 0.279 33 S C -1.039 173.486 174.600 -0.125 0.000 1.321 33 S CA 1.395 59.576 58.200 -0.031 0.000 1.054 33 S CB 0.407 63.587 63.200 -0.034 0.000 0.899 33 S HN -0.196 8.079 8.310 -0.058 0.000 0.497 34 L N 5.950 127.048 121.223 -0.208 0.000 2.372 34 L HA 0.137 nan 4.340 nan 0.000 0.274 34 L C -1.091 175.413 176.870 -0.611 0.000 0.988 34 L CA -0.550 54.109 54.840 -0.301 0.000 0.833 34 L CB 2.246 44.176 42.059 -0.215 0.000 1.236 34 L HN 0.242 8.348 8.230 -0.206 0.000 0.410 35 V N 3.499 123.164 119.914 -0.415 0.000 2.637 35 V HA -0.032 nan 4.120 nan 0.000 0.296 35 V C 0.323 176.172 176.094 -0.408 0.000 1.046 35 V CA 0.386 62.448 62.300 -0.396 0.000 1.066 35 V CB 0.149 31.881 31.823 -0.153 0.000 0.968 35 V HN 0.094 8.131 8.190 -0.255 0.000 0.483 36 F N 3.811 123.787 119.950 0.043 0.000 2.411 36 F HA 0.185 nan 4.527 nan 0.000 0.352 36 F C 0.094 175.922 175.800 0.047 0.000 1.123 36 F CA -1.093 56.943 58.000 0.060 0.000 1.044 36 F CB 1.182 40.221 39.000 0.066 0.000 1.135 36 F HN 0.009 8.203 8.300 -0.175 0.000 0.461 37 D N 2.042 122.567 120.400 0.209 0.000 2.178 37 D HA -0.118 nan 4.640 nan 0.000 0.202 37 D C -0.028 176.343 176.300 0.117 0.000 0.974 37 D CA 1.766 55.842 54.000 0.126 0.000 0.841 37 D CB 0.366 41.222 40.800 0.094 0.000 0.953 37 D HN 0.563 9.069 8.370 0.226 0.000 0.478 38 S N -4.533 111.249 115.700 0.136 0.000 2.656 38 S HA 0.097 nan 4.470 nan 0.000 0.273 38 S C 0.220 174.869 174.600 0.081 0.000 1.168 38 S CA -1.245 57.010 58.200 0.091 0.000 0.817 38 S CB 2.755 65.992 63.200 0.062 0.000 1.146 38 S HN -0.677 7.722 8.310 0.179 0.019 0.475 39 V N 2.214 122.155 119.914 0.045 0.000 2.407 39 V HA -0.310 nan 4.120 nan 0.000 0.248 39 V C 2.022 178.118 176.094 0.003 0.000 1.055 39 V CA 2.967 65.274 62.300 0.013 0.000 1.049 39 V CB -1.071 30.757 31.823 0.008 0.000 0.662 39 V HN 0.652 8.867 8.190 0.041 0.000 0.455 40 E N -0.316 119.897 120.200 0.021 0.000 2.051 40 E HA -0.268 nan 4.350 nan 0.000 0.192 40 E C 1.825 178.456 176.600 0.051 0.000 0.991 40 E CA 2.723 59.138 56.400 0.025 0.000 0.799 40 E CB -0.799 28.912 29.700 0.019 0.000 0.748 40 E HN 0.507 8.877 8.360 0.026 0.006 0.449 41 A N -0.284 122.582 122.820 0.076 0.000 1.902 41 A HA -0.329 nan 4.320 nan 0.000 0.217 41 A C 2.171 179.824 177.584 0.115 0.000 1.181 41 A CA 3.143 55.267 52.037 0.146 0.000 0.623 41 A CB -0.639 18.477 19.000 0.193 0.000 0.818 41 A HN -0.093 8.025 8.150 0.071 0.075 0.443 42 K N -1.156 119.208 120.400 -0.060 0.000 2.057 42 K HA -0.370 nan 4.320 nan 0.000 0.207 42 K C 2.038 178.482 176.600 -0.260 0.000 1.049 42 K CA 3.497 59.486 56.287 -0.496 0.000 0.931 42 K CB -0.060 32.105 32.500 -0.559 0.000 0.714 42 K HN -0.138 8.031 8.250 -0.006 0.078 0.440 43 K N -1.530 118.809 120.400 -0.101 0.000 2.026 43 K HA -0.300 nan 4.320 nan 0.000 0.208 43 K C 1.878 178.468 176.600 -0.016 0.000 1.048 43 K CA 2.837 59.093 56.287 -0.053 0.000 0.929 43 K CB -1.276 31.215 32.500 -0.015 0.000 0.713 43 K HN -0.200 7.935 8.250 -0.069 0.074 0.439 44 H N 0.675 119.718 119.070 -0.044 0.000 2.353 44 H HA -0.335 nan 4.556 nan 0.000 0.300 44 H C 1.970 177.293 175.328 -0.008 0.000 1.090 44 H CA 3.684 59.722 56.048 -0.018 0.000 1.327 44 H CB 0.689 30.461 29.762 0.015 0.000 1.383 44 H HN -0.091 8.277 8.280 0.147 0.000 0.508 45 A N -1.981 120.830 122.820 -0.015 0.000 1.877 45 A HA -0.276 nan 4.320 nan 0.000 0.216 45 A C 2.707 180.209 177.584 -0.137 0.000 1.186 45 A CA 2.951 55.018 52.037 0.049 0.000 0.620 45 A CB -0.691 18.560 19.000 0.418 0.000 0.822 45 A HN 0.072 8.203 8.150 0.096 0.076 0.443 46 T N 1.911 116.352 114.554 -0.187 0.000 2.684 46 T HA -0.323 nan 4.350 nan 0.000 0.267 46 T C 2.648 177.073 174.700 -0.459 0.000 1.036 46 T CA 4.476 66.289 62.100 -0.477 0.000 1.148 46 T CB -0.289 68.460 68.868 -0.198 0.000 0.863 46 T HN 0.064 8.243 8.240 -0.102 0.000 0.436 47 R N -0.531 119.794 120.500 -0.293 0.000 2.152 47 R HA -0.149 nan 4.340 nan 0.000 0.232 47 R C 0.907 177.038 176.300 -0.280 0.000 1.117 47 R CA 2.421 58.372 56.100 -0.249 0.000 0.981 47 R CB -0.648 29.552 30.300 -0.168 0.000 0.870 47 R HN -0.341 7.791 8.270 -0.230 0.000 0.451 48 N N -2.146 116.354 118.700 -0.334 0.000 2.328 48 N HA 0.209 nan 4.740 nan 0.000 0.247 48 N C 0.454 175.803 175.510 -0.268 0.000 1.165 48 N CA -0.297 52.578 53.050 -0.290 0.000 0.873 48 N CB 1.238 39.527 38.487 -0.330 0.000 1.125 48 N HN -0.578 7.440 8.380 -0.363 0.144 0.513 49 R N 0.867 121.138 120.500 -0.381 0.000 2.193 49 R HA -0.207 nan 4.340 nan 0.000 0.229 49 R C -0.360 175.793 176.300 -0.244 0.000 1.110 49 R CA 2.976 58.843 56.100 -0.388 0.000 0.988 49 R CB -0.327 29.418 30.300 -0.926 0.000 0.871 49 R HN -0.659 7.261 8.270 -0.467 0.070 0.458 50 A N -3.836 118.822 122.820 -0.270 0.000 2.503 50 A HA 0.169 nan 4.320 nan 0.000 0.263 50 A C -1.161 176.326 177.584 -0.161 0.000 1.258 50 A CA -0.602 51.292 52.037 -0.239 0.000 0.936 50 A CB 0.196 18.998 19.000 -0.330 0.000 1.070 50 A HN -0.171 7.770 8.150 -0.293 0.033 0.522 51 N N -1.131 117.472 118.700 -0.162 0.000 2.416 51 N HA 0.053 nan 4.740 nan 0.000 0.267 51 N C 0.299 175.688 175.510 -0.202 0.000 1.294 51 N CA -0.087 52.900 53.050 -0.106 0.000 0.891 51 N CB 0.589 39.022 38.487 -0.090 0.000 1.238 51 N HN -0.427 7.643 8.380 -0.194 0.194 0.508 52 G N -2.915 105.638 108.800 -0.410 0.000 2.147 52 G HA2 -0.435 nan 3.960 nan 0.000 0.244 52 G HA3 -0.435 nan 3.960 nan 0.000 0.244 52 G C -1.253 173.311 174.900 -0.560 0.000 1.005 52 G CA 0.243 44.809 45.100 -0.891 0.000 0.713 52 G HN 0.121 8.135 8.290 -0.360 0.060 0.515 53 E N -0.738 119.345 120.200 -0.194 0.000 2.204 53 E HA 0.262 nan 4.350 nan 0.000 0.276 53 E C -0.915 175.872 176.600 0.312 0.000 0.974 53 E CA -1.951 54.495 56.400 0.075 0.000 0.815 53 E CB 1.580 31.277 29.700 -0.005 0.000 1.119 53 E HN -0.634 7.609 8.360 -0.195 0.000 0.393 54 L N 2.812 124.285 121.223 0.417 0.000 2.562 54 L HA -0.139 nan 4.340 nan 0.000 0.271 54 L C -0.494 176.661 176.870 0.475 0.000 1.167 54 L CA 0.626 55.718 54.840 0.420 0.000 0.917 54 L CB -0.155 42.070 42.059 0.275 0.000 1.187 54 L HN 0.315 8.765 8.230 0.366 0.000 0.482 55 F N 5.948 126.073 119.950 0.291 0.000 2.334 55 F HA 0.185 nan 4.527 nan 0.000 0.269 55 F C -2.446 173.591 175.800 0.395 0.000 0.879 55 F CA 0.385 58.616 58.000 0.386 0.000 1.102 55 F CB 3.843 43.009 39.000 0.276 0.000 1.032 55 F HN 0.126 8.712 8.300 0.475 0.000 0.782 56 Y N -4.379 115.973 120.300 0.086 0.000 2.521 56 Y HA 0.089 nan 4.550 nan 0.000 0.332 56 Y C 0.134 176.059 175.900 0.041 0.000 1.121 56 Y CA -0.726 57.343 58.100 -0.051 0.000 1.037 56 Y CB 3.493 41.893 38.460 -0.099 0.000 1.330 56 Y HN -0.716 7.824 8.280 0.433 0.000 0.452 57 G N 4.685 113.017 108.800 -0.780 0.000 2.507 57 G HA2 -0.382 nan 3.960 nan 0.000 0.221 57 G HA3 -0.382 nan 3.960 nan 0.000 0.221 57 G C -0.408 174.244 174.900 -0.413 0.000 1.119 57 G CA 1.868 46.627 45.100 -0.568 0.000 0.751 57 G HN 0.665 8.225 8.290 -1.060 0.094 0.574 58 R N -1.136 119.133 120.500 -0.385 0.000 2.115 58 R HA -0.145 nan 4.340 nan 0.000 0.230 58 R C 0.981 177.406 176.300 0.209 0.000 1.111 58 R CA 1.999 58.110 56.100 0.017 0.000 0.976 58 R CB -0.412 30.036 30.300 0.246 0.000 0.870 58 R HN 0.001 7.719 8.270 -0.878 0.025 0.445 59 R N -4.457 116.183 120.500 0.234 0.000 2.161 59 R HA -0.033 nan 4.340 nan 0.000 0.213 59 R C 0.168 176.494 176.300 0.045 0.000 1.055 59 R CA 0.443 56.639 56.100 0.159 0.000 0.996 59 R CB 0.977 31.393 30.300 0.194 0.000 0.901 59 R HN -0.278 7.990 8.270 0.215 0.131 0.456 60 G N -1.903 106.797 108.800 -0.168 0.000 2.392 60 G HA2 -0.201 nan 3.960 nan 0.000 0.677 60 G HA3 -0.201 nan 3.960 nan 0.000 0.677 60 G C -2.682 171.932 174.900 -0.476 0.000 1.334 60 G CA -0.575 44.205 45.100 -0.533 0.000 0.961 60 G HN -0.696 7.396 8.290 -0.148 0.109 0.616 61 T N -5.240 109.024 114.554 -0.484 0.000 2.807 61 T HA 0.804 nan 4.350 nan 0.000 0.277 61 T C 1.058 175.221 174.700 -0.895 0.000 1.006 61 T CA -2.726 59.076 62.100 -0.496 0.000 1.006 61 T CB 3.267 72.057 68.868 -0.130 0.000 1.274 61 T HN -0.184 8.030 8.240 -0.043 0.000 0.569 62 L N -0.372 120.605 121.223 -0.409 0.000 2.081 62 L HA -0.406 nan 4.340 nan 0.000 0.212 62 L C 1.906 178.648 176.870 -0.213 0.000 1.080 62 L CA 4.096 58.862 54.840 -0.123 0.000 0.754 62 L CB -0.655 41.505 42.059 0.169 0.000 0.893 62 L HN 0.179 8.569 8.230 -0.203 -0.282 0.433 63 T N 0.107 114.538 114.554 -0.206 0.000 2.746 63 T HA -0.342 nan 4.350 nan 0.000 0.267 63 T C 2.220 176.745 174.700 -0.292 0.000 1.039 63 T CA 4.613 66.580 62.100 -0.221 0.000 1.142 63 T CB -0.663 68.062 68.868 -0.238 0.000 0.866 63 T HN -0.380 7.741 8.240 -0.177 0.013 0.444 64 H N 2.046 120.954 119.070 -0.270 0.000 2.357 64 H HA -0.218 nan 4.556 nan 0.000 0.301 64 H C 2.292 177.583 175.328 -0.062 0.000 1.082 64 H CA 3.482 59.431 56.048 -0.165 0.000 1.342 64 H CB -0.136 29.527 29.762 -0.166 0.000 1.389 64 H HN -0.670 7.467 8.280 -0.239 0.000 0.511 65 F N -0.795 119.135 119.950 -0.033 0.000 2.161 65 F HA -0.255 nan 4.527 nan 0.000 0.300 65 F C 2.518 178.042 175.800 -0.461 0.000 1.089 65 F CA 1.127 59.032 58.000 -0.159 0.000 1.282 65 F CB -1.541 37.425 39.000 -0.057 0.000 1.010 65 F HN 0.045 8.105 8.300 -0.399 0.000 0.485 66 S N -0.641 114.674 115.700 -0.641 0.000 2.356 66 S HA -0.291 nan 4.470 nan 0.000 0.223 66 S C 2.062 176.525 174.600 -0.227 0.000 1.032 66 S CA 3.627 61.401 58.200 -0.711 0.000 1.005 66 S CB -0.143 62.717 63.200 -0.566 0.000 0.867 66 S HN -0.260 7.691 8.310 -0.587 0.007 0.449 67 L N 1.367 122.506 121.223 -0.141 0.000 2.056 67 L HA -0.302 nan 4.340 nan 0.000 0.207 67 L C 1.285 178.146 176.870 -0.015 0.000 1.078 67 L CA 2.969 57.773 54.840 -0.061 0.000 0.749 67 L CB -0.311 41.721 42.059 -0.045 0.000 0.901 67 L HN -0.769 7.364 8.230 -0.162 0.000 0.433 68 Q N -1.815 117.998 119.800 0.020 0.000 2.096 68 Q HA -0.498 nan 4.340 nan 0.000 0.204 68 Q C 2.331 178.332 176.000 0.002 0.000 0.982 68 Q CA 3.727 59.555 55.803 0.041 0.000 0.850 68 Q CB -0.342 28.462 28.738 0.109 0.000 0.901 68 Q HN 0.163 8.452 8.270 0.032 0.000 0.422 69 Q N -0.230 119.572 119.800 0.003 0.000 2.079 69 Q HA -0.313 nan 4.340 nan 0.000 0.200 69 Q C 2.144 178.148 176.000 0.005 0.000 0.974 69 Q CA 2.960 58.772 55.803 0.015 0.000 0.840 69 Q CB -0.074 28.717 28.738 0.089 0.000 0.898 69 Q HN -0.248 8.012 8.270 -0.007 0.006 0.430 70 A N 0.249 123.070 122.820 0.001 0.000 1.902 70 A HA -0.318 nan 4.320 nan 0.000 0.217 70 A C 2.397 179.979 177.584 -0.004 0.000 1.181 70 A CA 3.252 55.289 52.037 0.001 0.000 0.623 70 A CB -0.761 18.233 19.000 -0.009 0.000 0.818 70 A HN -0.114 7.959 8.150 -0.012 0.069 0.443 71 M N -2.454 117.143 119.600 -0.005 0.000 2.117 71 M HA -0.278 nan 4.480 nan 0.000 0.262 71 M C 2.301 178.588 176.300 -0.021 0.000 1.065 71 M CA 2.075 57.374 55.300 -0.002 0.000 1.114 71 M CB -1.343 31.265 32.600 0.013 0.000 1.361 71 M HN 0.110 8.398 8.290 -0.005 0.000 0.408 72 C N -0.940 118.332 119.300 -0.047 0.000 2.425 72 C HA -0.346 nan 4.460 nan 0.000 0.277 72 C C 2.470 177.424 174.990 -0.060 0.000 1.280 72 C CA 4.192 63.161 59.018 -0.082 0.000 1.744 72 C CB -2.074 25.587 27.740 -0.133 0.000 1.989 72 C HN 0.014 8.217 8.230 -0.044 0.000 0.491 73 E N 1.013 121.190 120.200 -0.038 0.000 2.047 73 E HA -0.298 nan 4.350 nan 0.000 0.191 73 E C 1.505 178.091 176.600 -0.022 0.000 0.987 73 E CA 2.870 59.254 56.400 -0.027 0.000 0.799 73 E CB -0.079 29.615 29.700 -0.009 0.000 0.752 73 E HN -0.669 7.662 8.360 -0.031 0.010 0.449 74 L N -2.909 118.306 121.223 -0.014 0.000 2.046 74 L HA -0.219 nan 4.340 nan 0.000 0.208 74 L C 2.359 179.221 176.870 -0.013 0.000 1.077 74 L CA 2.414 57.250 54.840 -0.007 0.000 0.747 74 L CB 0.328 42.390 42.059 0.005 0.000 0.896 74 L HN -0.331 7.893 8.230 -0.011 0.000 0.432 75 E N -4.861 115.328 120.200 -0.018 0.000 2.474 75 E HA 0.089 nan 4.350 nan 0.000 0.195 75 E C 0.544 177.118 176.600 -0.044 0.000 1.039 75 E CA -0.249 56.136 56.400 -0.025 0.000 0.881 75 E CB 0.853 30.548 29.700 -0.009 0.000 0.970 75 E HN -0.073 8.276 8.360 -0.018 0.000 0.486 76 G N -0.211 108.559 108.800 -0.050 0.000 2.272 76 G HA2 -0.335 nan 3.960 nan 0.000 0.280 76 G HA3 -0.335 nan 3.960 nan 0.000 0.280 76 G C -0.658 174.199 174.900 -0.072 0.000 1.067 76 G CA 0.377 45.440 45.100 -0.061 0.000 0.902 76 G HN -0.110 8.001 8.290 -0.044 0.152 0.500 77 G N -3.275 105.471 108.800 -0.090 0.000 2.552 77 G HA2 0.393 nan 3.960 nan 0.000 0.324 77 G HA3 0.393 nan 3.960 nan 0.000 0.324 77 G C -1.252 173.532 174.900 -0.193 0.000 1.217 77 G CA -1.612 43.417 45.100 -0.118 0.000 0.989 77 G HN -0.673 7.459 8.290 -0.088 0.105 0.490 78 A N -0.445 122.226 122.820 -0.248 0.000 2.021 78 A HA 0.153 nan 4.320 nan 0.000 0.216 78 A C -0.336 176.716 177.584 -0.886 0.000 1.163 78 A CA 0.722 52.530 52.037 -0.382 0.000 0.676 78 A CB 0.981 19.857 19.000 -0.207 0.000 0.818 78 A HN 0.215 8.255 8.150 -0.183 0.000 0.453 79 G N -4.796 103.415 108.800 -0.982 0.000 2.677 79 G HA2 0.091 nan 3.960 nan 0.000 0.291 79 G HA3 0.091 nan 3.960 nan 0.000 0.291 79 G C -3.626 170.975 174.900 -0.498 0.000 1.435 79 G CA 0.029 44.284 45.100 -1.409 0.000 0.826 79 G HN -0.812 7.126 8.290 -0.587 0.000 0.491 80 C N 0.862 120.059 119.300 -0.173 0.000 2.431 80 C HA 0.863 nan 4.460 nan 0.000 0.321 80 C C -0.756 174.338 174.990 0.174 0.000 1.202 80 C CA -1.535 57.508 59.018 0.041 0.000 1.398 80 C CB 0.807 28.559 27.740 0.020 0.000 2.047 80 C HN -0.025 8.117 8.230 -0.148 0.000 0.465 81 V N 8.810 128.846 119.914 0.204 0.000 2.483 81 V HA 0.431 nan 4.120 nan 0.000 0.295 81 V C -1.665 174.414 176.094 -0.025 0.000 1.035 81 V CA -1.046 61.312 62.300 0.096 0.000 0.896 81 V CB 2.710 34.608 31.823 0.125 0.000 0.986 81 V HN 0.965 9.188 8.190 0.235 0.108 0.447 82 L N 3.594 124.697 121.223 -0.200 0.000 2.325 82 L HA 0.713 nan 4.340 nan 0.000 0.278 82 L C -0.705 175.908 176.870 -0.429 0.000 1.023 82 L CA -0.579 54.184 54.840 -0.128 0.000 0.811 82 L CB 1.658 43.731 42.059 0.024 0.000 1.249 82 L HN 0.108 8.224 8.230 -0.189 0.000 0.431 83 F N 0.235 120.231 119.950 0.076 0.000 2.620 83 F HA 0.511 nan 4.527 nan 0.000 0.320 83 F C -1.569 174.255 175.800 0.040 0.000 1.069 83 F CA -2.540 55.493 58.000 0.054 0.000 0.953 83 F CB 1.127 40.152 39.000 0.042 0.000 1.322 83 F HN 0.454 8.929 8.300 0.291 0.000 0.479 84 P HA -0.064 nan 4.420 nan 0.000 0.222 84 P C -1.632 175.725 177.300 0.096 0.000 1.147 84 P CA 1.970 65.144 63.100 0.123 0.000 0.790 84 P CB -0.287 31.472 31.700 0.097 0.000 0.780 85 C N -9.351 110.014 119.300 0.107 0.000 3.216 85 C HA 0.237 nan 4.460 nan 0.000 0.346 85 C C 0.896 175.896 174.990 0.017 0.000 1.384 85 C CA -2.637 56.408 59.018 0.044 0.000 1.208 85 C CB 3.230 30.981 27.740 0.018 0.000 1.483 85 C HN -0.731 7.559 8.230 0.164 0.037 0.453 86 G N -0.697 108.084 108.800 -0.032 0.000 2.418 86 G HA2 -0.399 nan 3.960 nan 0.000 0.217 86 G HA3 -0.399 nan 3.960 nan 0.000 0.217 86 G C 0.325 175.178 174.900 -0.078 0.000 1.158 86 G CA 2.716 47.775 45.100 -0.068 0.000 0.771 86 G HN 0.713 8.974 8.290 -0.047 0.000 0.545 87 A N 0.986 123.790 122.820 -0.028 0.000 1.940 87 A HA -0.201 nan 4.320 nan 0.000 0.219 87 A C 1.564 179.067 177.584 -0.135 0.000 1.176 87 A CA 2.570 54.597 52.037 -0.016 0.000 0.631 87 A CB -0.801 18.227 19.000 0.047 0.000 0.814 87 A HN -0.061 8.084 8.150 -0.009 0.000 0.446 88 A N -2.345 120.405 122.820 -0.117 0.000 1.930 88 A HA -0.244 nan 4.320 nan 0.000 0.217 88 A C 1.866 179.173 177.584 -0.462 0.000 1.175 88 A CA 2.576 54.523 52.037 -0.150 0.000 0.627 88 A CB -0.744 18.279 19.000 0.038 0.000 0.815 88 A HN -0.540 7.570 8.150 -0.055 0.007 0.443 89 A N -1.419 121.025 122.820 -0.626 0.000 1.902 89 A HA -0.275 nan 4.320 nan 0.000 0.217 89 A C 2.171 179.331 177.584 -0.706 0.000 1.181 89 A CA 3.147 54.424 52.037 -1.266 0.000 0.623 89 A CB -0.615 18.033 19.000 -0.587 0.000 0.818 89 A HN -0.384 7.479 8.150 -0.322 0.093 0.443 90 V N -0.726 118.976 119.914 -0.354 0.000 2.237 90 V HA -0.473 nan 4.120 nan 0.000 0.245 90 V C 1.923 177.772 176.094 -0.408 0.000 1.046 90 V CA 4.438 66.618 62.300 -0.200 0.000 1.007 90 V CB -1.045 30.726 31.823 -0.087 0.000 0.638 90 V HN -0.060 7.956 8.190 -0.289 0.000 0.445 91 A N -1.947 120.477 122.820 -0.661 0.000 1.908 91 A HA -0.415 nan 4.320 nan 0.000 0.218 91 A C 2.066 179.244 177.584 -0.676 0.000 1.181 91 A CA 3.426 54.696 52.037 -1.278 0.000 0.627 91 A CB -0.608 17.686 19.000 -1.178 0.000 0.818 91 A HN 0.166 8.005 8.150 -0.519 0.000 0.445 92 N N -2.488 115.994 118.700 -0.362 0.000 2.354 92 N HA -0.157 nan 4.740 nan 0.000 0.179 92 N C 2.483 178.009 175.510 0.028 0.000 1.021 92 N CA 3.058 56.061 53.050 -0.078 0.000 0.887 92 N CB -0.085 38.482 38.487 0.132 0.000 0.974 92 N HN -0.131 7.991 8.380 -0.431 0.000 0.437 93 S N 1.797 117.472 115.700 -0.042 0.000 2.368 93 S HA -0.232 nan 4.470 nan 0.000 0.224 93 S C 1.968 176.749 174.600 0.302 0.000 1.029 93 S CA 3.867 62.176 58.200 0.183 0.000 0.988 93 S CB -0.132 63.167 63.200 0.164 0.000 0.838 93 S HN -0.317 7.845 8.310 -0.246 0.000 0.462 94 I N 1.057 121.748 120.570 0.201 0.000 2.179 94 I HA -0.423 nan 4.170 nan 0.000 0.242 94 I C 2.010 178.308 176.117 0.302 0.000 1.088 94 I CA 3.718 65.193 61.300 0.291 0.000 1.357 94 I CB 0.098 38.277 38.000 0.299 0.000 1.051 94 I HN -0.446 7.794 8.210 0.051 0.000 0.409 95 L N -0.267 121.109 121.223 0.256 0.000 2.079 95 L HA -0.343 nan 4.340 nan 0.000 0.210 95 L C 1.994 178.936 176.870 0.121 0.000 1.081 95 L CA 2.959 57.933 54.840 0.223 0.000 0.752 95 L CB -0.480 41.709 42.059 0.216 0.000 0.896 95 L HN -0.352 7.990 8.230 0.186 0.000 0.433 96 A N -1.124 121.732 122.820 0.060 0.000 2.024 96 A HA -0.237 nan 4.320 nan 0.000 0.220 96 A C 1.169 178.549 177.584 -0.340 0.000 1.164 96 A CA 2.677 54.612 52.037 -0.171 0.000 0.643 96 A CB -0.592 18.226 19.000 -0.304 0.000 0.806 96 A HN -0.105 8.097 8.150 0.109 0.014 0.451 97 F N -6.861 113.149 119.950 0.100 0.000 2.704 97 F HA 0.188 nan 4.527 nan 0.000 0.304 97 F C -1.286 174.557 175.800 0.072 0.000 1.094 97 F CA -0.456 57.595 58.000 0.084 0.000 1.275 97 F CB 1.271 40.325 39.000 0.090 0.000 1.073 97 F HN -0.595 7.734 8.300 0.283 0.140 0.586 98 I N -5.164 115.532 120.570 0.210 0.000 2.783 98 I HA 0.293 nan 4.170 nan 0.000 0.312 98 I C -0.830 175.342 176.117 0.092 0.000 0.988 98 I CA -2.457 58.928 61.300 0.142 0.000 1.182 98 I CB 1.313 39.384 38.000 0.119 0.000 1.368 98 I HN -0.798 7.531 8.210 0.198 0.000 0.511 99 E N 0.216 120.459 120.200 0.072 0.000 2.429 99 E HA 0.323 nan 4.350 nan 0.000 0.276 99 E C -1.844 174.779 176.600 0.039 0.000 0.953 99 E CA -2.158 54.272 56.400 0.050 0.000 0.787 99 E CB 3.904 33.633 29.700 0.048 0.000 1.307 99 E HN 0.073 8.714 8.360 0.073 -0.238 0.458 100 Q N -0.612 119.205 119.800 0.028 0.000 2.349 100 Q HA -0.308 nan 4.340 nan 0.000 0.287 100 Q C 0.780 176.794 176.000 0.024 0.000 1.044 100 Q CA 1.196 57.011 55.803 0.020 0.000 0.918 100 Q CB -0.569 28.177 28.738 0.014 0.000 1.242 100 Q HN 0.333 8.619 8.270 0.026 0.000 0.405 101 G N 4.617 113.431 108.800 0.024 0.000 2.213 101 G HA2 -0.323 nan 3.960 nan 0.000 0.236 101 G HA3 -0.323 nan 3.960 nan 0.000 0.236 101 G C -0.296 174.630 174.900 0.044 0.000 0.991 101 G CA -0.234 44.883 45.100 0.028 0.000 0.629 101 G HN 0.773 8.956 8.290 0.019 0.119 0.517 102 D N 1.748 122.178 120.400 0.051 0.000 2.358 102 D HA 0.290 nan 4.640 nan 0.000 0.244 102 D C -1.983 174.378 176.300 0.101 0.000 1.163 102 D CA 0.373 54.416 54.000 0.071 0.000 0.945 102 D CB 1.006 41.844 40.800 0.064 0.000 1.152 102 D HN -0.581 7.743 8.370 0.042 0.072 0.451 103 H N -1.147 117.921 119.070 -0.003 0.000 2.538 103 H HA 0.642 nan 4.556 nan 0.000 0.353 103 H C -1.977 173.337 175.328 -0.024 0.000 1.109 103 H CA -0.955 55.078 56.048 -0.025 0.000 1.192 103 H CB 3.163 32.913 29.762 -0.021 0.000 1.555 103 H HN 0.114 8.480 8.280 0.142 0.000 0.518 104 V N 6.379 125.926 119.914 -0.612 0.000 2.459 104 V HA 0.502 nan 4.120 nan 0.000 0.295 104 V C -2.049 173.617 176.094 -0.713 0.000 1.029 104 V CA -1.141 60.868 62.300 -0.484 0.000 0.874 104 V CB 2.307 33.969 31.823 -0.269 0.000 0.985 104 V HN 1.003 8.862 8.190 -0.551 0.000 0.438 105 L N 8.214 129.199 121.223 -0.396 0.000 2.294 105 L HA 0.864 nan 4.340 nan 0.000 0.283 105 L C -2.612 174.311 176.870 0.089 0.000 1.015 105 L CA -1.019 53.719 54.840 -0.170 0.000 0.831 105 L CB 2.695 44.754 42.059 0.000 0.000 1.217 105 L HN 0.625 8.720 8.230 -0.226 0.000 0.420 106 M N 7.646 127.222 119.600 -0.040 0.000 2.465 106 M HA 0.585 nan 4.480 nan 0.000 0.316 106 M C -1.918 174.306 176.300 -0.126 0.000 1.121 106 M CA -1.826 53.522 55.300 0.080 0.000 0.934 106 M CB 4.387 36.955 32.600 -0.054 0.000 1.692 106 M HN 0.425 8.531 8.290 -0.308 0.000 0.444 107 T N 4.315 118.629 114.554 -0.399 0.000 2.928 107 T HA -0.053 nan 4.350 nan 0.000 0.305 107 T C 1.645 176.262 174.700 -0.139 0.000 1.035 107 T CA 0.958 62.551 62.100 -0.845 0.000 1.145 107 T CB 0.655 69.352 68.868 -0.285 0.000 0.963 107 T HN 0.211 8.462 8.240 0.019 0.000 0.545 108 N N 7.364 125.971 118.700 -0.154 0.000 2.550 108 N HA -0.115 nan 4.740 nan 0.000 0.186 108 N C 0.701 176.149 175.510 -0.102 0.000 1.110 108 N CA 1.791 54.788 53.050 -0.088 0.000 0.912 108 N CB -0.425 37.994 38.487 -0.114 0.000 0.968 108 N HN 0.262 8.451 8.380 -0.319 0.000 0.448 109 T N -6.400 108.124 114.554 -0.051 0.000 3.163 109 T HA 0.206 nan 4.350 nan 0.000 0.252 109 T C -0.234 174.488 174.700 0.038 0.000 1.056 109 T CA -1.594 60.492 62.100 -0.024 0.000 0.947 109 T CB -0.868 67.976 68.868 -0.040 0.000 1.016 109 T HN -0.784 7.357 8.240 -0.064 0.061 0.554 110 A N 2.284 125.157 122.820 0.088 0.000 2.466 110 A HA -0.059 nan 4.320 nan 0.000 0.238 110 A C -0.967 176.725 177.584 0.181 0.000 1.074 110 A CA 0.082 52.237 52.037 0.197 0.000 0.774 110 A CB 0.501 19.653 19.000 0.253 0.000 1.015 110 A HN -0.693 7.413 8.150 0.064 0.082 0.498 111 Y N 3.425 123.788 120.300 0.105 0.000 2.881 111 Y HA -0.269 nan 4.550 nan 0.000 0.335 111 Y C 0.653 176.571 175.900 0.029 0.000 1.263 111 Y CA 0.208 58.355 58.100 0.079 0.000 1.572 111 Y CB 1.460 39.990 38.460 0.117 0.000 1.237 111 Y HN 0.099 8.967 8.280 0.420 -0.336 0.568 112 E N 8.043 128.056 120.200 -0.312 0.000 2.086 112 E HA -0.426 nan 4.350 nan 0.000 0.200 112 E C -0.373 176.029 176.600 -0.331 0.000 1.012 112 E CA 4.981 61.190 56.400 -0.318 0.000 0.812 112 E CB -1.307 28.209 29.700 -0.306 0.000 0.743 112 E HN 0.636 8.840 8.360 -0.260 0.000 0.453 113 P HA -0.167 nan 4.420 nan 0.000 0.218 113 P C 1.846 179.108 177.300 -0.062 0.000 1.148 113 P CA 2.843 65.769 63.100 -0.290 0.000 0.822 113 P CB -0.457 31.033 31.700 -0.350 0.000 0.784 114 S N -2.013 113.683 115.700 -0.006 0.000 2.383 114 S HA -0.281 nan 4.470 nan 0.000 0.227 114 S C 2.144 176.805 174.600 0.102 0.000 1.026 114 S CA 3.726 61.959 58.200 0.056 0.000 0.981 114 S CB -0.625 62.592 63.200 0.028 0.000 0.818 114 S HN -0.190 7.987 8.310 -0.043 0.107 0.472 115 Q N 1.621 121.468 119.800 0.079 0.000 2.046 115 Q HA -0.255 nan 4.340 nan 0.000 0.200 115 Q C 2.694 178.777 176.000 0.138 0.000 0.975 115 Q CA 3.069 58.972 55.803 0.167 0.000 0.836 115 Q CB -0.159 28.536 28.738 -0.072 0.000 0.896 115 Q HN -0.711 7.471 8.270 0.006 0.092 0.428 116 D N 0.515 120.939 120.400 0.039 0.000 2.144 116 D HA -0.257 nan 4.640 nan 0.000 0.199 116 D C 1.911 178.249 176.300 0.063 0.000 0.984 116 D CA 3.198 57.213 54.000 0.025 0.000 0.834 116 D CB -0.612 40.176 40.800 -0.021 0.000 0.955 116 D HN -0.117 8.243 8.370 -0.015 0.000 0.465 117 F N 1.226 121.161 119.950 -0.024 0.000 2.095 117 F HA -0.383 nan 4.527 nan 0.000 0.298 117 F C 1.580 177.374 175.800 -0.009 0.000 1.104 117 F CA 3.705 61.690 58.000 -0.024 0.000 1.232 117 F CB -0.069 38.905 39.000 -0.044 0.000 0.987 117 F HN -0.402 8.019 8.300 0.222 0.012 0.475 118 C N -1.382 117.785 119.300 -0.221 0.000 2.432 118 C HA -0.412 nan 4.460 nan 0.000 0.277 118 C C 2.127 177.011 174.990 -0.177 0.000 1.249 118 C CA 3.788 62.629 59.018 -0.295 0.000 1.725 118 C CB -1.580 26.108 27.740 -0.087 0.000 2.028 118 C HN -0.408 7.876 8.230 0.090 0.000 0.477 119 S N -1.186 114.505 115.700 -0.015 0.000 2.436 119 S HA -0.260 nan 4.470 nan 0.000 0.228 119 S C 2.015 176.591 174.600 -0.041 0.000 1.014 119 S CA 3.766 61.977 58.200 0.018 0.000 0.950 119 S CB -0.390 62.872 63.200 0.104 0.000 0.784 119 S HN 0.080 8.424 8.310 0.056 0.000 0.504 120 K N 1.041 121.397 120.400 -0.073 0.000 2.244 120 K HA 0.033 nan 4.320 nan 0.000 0.200 120 K C 1.601 178.141 176.600 -0.099 0.000 1.052 120 K CA 2.397 58.646 56.287 -0.064 0.000 0.980 120 K CB 0.813 33.293 32.500 -0.032 0.000 0.838 120 K HN -0.004 8.096 8.250 -0.082 0.101 0.481 121 I N -1.610 118.844 120.570 -0.194 0.000 2.681 121 I HA -0.057 nan 4.170 nan 0.000 0.247 121 I C 1.913 177.865 176.117 -0.275 0.000 1.091 121 I CA 0.522 61.691 61.300 -0.217 0.000 1.442 121 I CB 0.427 38.295 38.000 -0.220 0.000 1.219 121 I HN -0.195 7.755 8.210 -0.261 0.103 0.451 122 L N -0.599 120.340 121.223 -0.473 0.000 2.042 122 L HA -0.426 nan 4.340 nan 0.000 0.210 122 L C 2.494 179.261 176.870 -0.173 0.000 1.076 122 L CA 3.567 58.206 54.840 -0.336 0.000 0.749 122 L CB -0.769 41.050 42.059 -0.400 0.000 0.893 122 L HN -0.285 7.509 8.230 -0.726 0.000 0.432 123 S N -1.280 114.332 115.700 -0.146 0.000 2.387 123 S HA -0.348 nan 4.470 nan 0.000 0.230 123 S C 1.873 176.440 174.600 -0.055 0.000 1.035 123 S CA 2.917 61.071 58.200 -0.077 0.000 1.014 123 S CB -0.418 62.751 63.200 -0.052 0.000 0.836 123 S HN -0.200 7.994 8.310 -0.179 0.009 0.466 124 K N 0.191 120.555 120.400 -0.061 0.000 2.525 124 K HA -0.019 nan 4.320 nan 0.000 0.192 124 K C 0.429 177.010 176.600 -0.031 0.000 1.029 124 K CA 1.711 57.975 56.287 -0.038 0.000 1.029 124 K CB -0.282 32.199 32.500 -0.033 0.000 0.814 124 K HN -0.568 7.616 8.250 -0.083 0.016 0.503 125 L N -2.217 118.982 121.223 -0.040 0.000 2.818 125 L HA 0.238 nan 4.340 nan 0.000 0.243 125 L C -0.134 176.726 176.870 -0.016 0.000 1.185 125 L CA -0.808 54.018 54.840 -0.024 0.000 0.988 125 L CB -0.256 41.788 42.059 -0.024 0.000 1.292 125 L HN -0.435 7.570 8.230 -0.061 0.188 0.519 126 G N -1.788 107.001 108.800 -0.018 0.000 2.160 126 G HA2 -0.317 nan 3.960 nan 0.000 0.244 126 G HA3 -0.317 nan 3.960 nan 0.000 0.244 126 G C -1.144 173.753 174.900 -0.005 0.000 1.022 126 G CA 0.470 45.565 45.100 -0.008 0.000 0.741 126 G HN -0.645 7.554 8.290 -0.024 0.076 0.508 127 V N -0.137 119.764 119.914 -0.022 0.000 2.495 127 V HA 0.607 nan 4.120 nan 0.000 0.298 127 V C -0.564 175.513 176.094 -0.029 0.000 1.031 127 V CA -1.236 61.051 62.300 -0.021 0.000 0.871 127 V CB 1.461 33.258 31.823 -0.043 0.000 0.988 127 V HN -0.757 7.410 8.190 -0.039 0.000 0.432 128 T N 4.572 119.132 114.554 0.009 0.000 2.925 128 T HA 0.433 nan 4.350 nan 0.000 0.285 128 T C -0.966 173.721 174.700 -0.020 0.000 1.021 128 T CA -2.277 59.839 62.100 0.027 0.000 1.042 128 T CB 2.452 71.377 68.868 0.095 0.000 1.037 128 T HN 0.220 8.485 8.240 0.041 0.000 0.481 129 T N 3.859 118.349 114.554 -0.107 0.000 2.848 129 T HA 0.742 nan 4.350 nan 0.000 0.285 129 T C -1.449 172.986 174.700 -0.441 0.000 0.995 129 T CA -0.526 61.349 62.100 -0.375 0.000 0.970 129 T CB 2.096 70.661 68.868 -0.506 0.000 0.976 129 T HN 0.160 8.364 8.240 -0.060 0.000 0.441 130 S N 3.846 119.240 115.700 -0.509 0.000 2.677 130 S HA 0.652 nan 4.470 nan 0.000 0.304 130 S C -1.716 172.451 174.600 -0.721 0.000 1.108 130 S CA -1.926 56.048 58.200 -0.376 0.000 0.944 130 S CB 3.120 66.433 63.200 0.188 0.000 1.127 130 S HN 0.562 8.533 8.310 -0.564 0.000 0.511 131 W N -1.797 119.574 121.300 0.118 0.000 2.902 131 W HA 0.696 nan 4.660 nan 0.000 0.346 131 W C -1.282 175.248 176.519 0.019 0.000 1.139 131 W CA -1.102 56.258 57.345 0.024 0.000 1.139 131 W CB 2.900 32.337 29.460 -0.038 0.000 1.439 131 W HN -0.419 8.081 8.180 0.209 -0.195 0.558 132 F N -4.034 115.974 119.950 0.096 0.000 2.626 132 F HA 0.394 nan 4.527 nan 0.000 0.311 132 F C -2.484 173.327 175.800 0.017 0.000 1.088 132 F CA -2.287 55.614 58.000 -0.165 0.000 0.949 132 F CB 2.710 41.433 39.000 -0.461 0.000 1.322 132 F HN 0.096 8.274 8.300 -0.204 0.000 0.461 133 D N 0.547 121.074 120.400 0.212 0.000 2.350 133 D HA 0.231 nan 4.640 nan 0.000 0.249 133 D C -0.580 175.903 176.300 0.304 0.000 1.119 133 D CA -2.165 51.942 54.000 0.179 0.000 0.886 133 D CB 1.517 42.428 40.800 0.184 0.000 1.195 133 D HN 0.196 8.707 8.370 0.236 0.000 0.437 134 P HA -0.166 nan 4.420 nan 0.000 0.216 134 P C 0.286 177.835 177.300 0.417 0.000 1.150 134 P CA 2.079 65.421 63.100 0.403 0.000 0.843 134 P CB 0.280 32.092 31.700 0.186 0.000 0.787 135 L N -5.000 116.391 121.223 0.280 0.000 2.728 135 L HA 0.025 nan 4.340 nan 0.000 0.235 135 L C 0.584 177.576 176.870 0.202 0.000 1.197 135 L CA -0.321 54.672 54.840 0.254 0.000 0.992 135 L CB -0.656 41.544 42.059 0.235 0.000 1.263 135 L HN -0.559 8.053 8.230 0.233 -0.242 0.484 136 I N -0.809 119.883 120.570 0.203 0.000 2.361 136 I HA -0.274 nan 4.170 nan 0.000 0.251 136 I C 0.398 176.558 176.117 0.071 0.000 1.133 136 I CA 0.753 62.144 61.300 0.151 0.000 1.413 136 I CB 0.854 38.953 38.000 0.166 0.000 1.073 136 I HN -0.341 7.948 8.210 0.269 0.082 0.424 137 G N -2.774 106.035 108.800 0.014 0.000 2.596 137 G HA2 -0.498 nan 3.960 nan 0.000 0.295 137 G HA3 -0.498 nan 3.960 nan 0.000 0.295 137 G C 0.547 175.410 174.900 -0.062 0.000 1.240 137 G CA 0.967 46.037 45.100 -0.050 0.000 0.985 137 G HN -0.460 7.830 8.290 0.030 0.018 0.555 138 A N 2.547 125.346 122.820 -0.035 0.000 2.125 138 A HA -0.148 nan 4.320 nan 0.000 0.219 138 A C 1.439 179.013 177.584 -0.017 0.000 1.156 138 A CA 2.282 54.301 52.037 -0.030 0.000 0.671 138 A CB -0.283 18.711 19.000 -0.010 0.000 0.794 138 A HN 0.478 8.617 8.150 -0.019 0.000 0.459 139 D N -1.338 119.067 120.400 0.009 0.000 2.363 139 D HA -0.089 nan 4.640 nan 0.000 0.226 139 D C 1.593 177.929 176.300 0.059 0.000 1.020 139 D CA 1.813 55.834 54.000 0.034 0.000 0.892 139 D CB -0.609 40.231 40.800 0.066 0.000 0.900 139 D HN -0.525 7.802 8.370 0.017 0.053 0.531 140 I N 0.674 121.244 120.570 0.000 0.000 2.567 140 I HA -0.333 nan 4.170 nan 0.000 0.257 140 I C 1.280 177.417 176.117 0.034 0.000 1.184 140 I CA 2.447 63.734 61.300 -0.023 0.000 1.451 140 I CB 0.148 37.961 38.000 -0.311 0.000 1.089 140 I HN -0.509 7.586 8.210 -0.048 0.087 0.441 141 V N -3.543 116.367 119.914 -0.007 0.000 2.546 141 V HA -0.440 nan 4.120 nan 0.000 0.254 141 V C 1.920 178.003 176.094 -0.018 0.000 1.076 141 V CA 3.114 65.406 62.300 -0.013 0.000 1.087 141 V CB -1.403 30.408 31.823 -0.020 0.000 0.674 141 V HN -0.551 7.589 8.190 -0.019 0.038 0.470 142 K N -0.524 119.848 120.400 -0.046 0.000 2.211 142 K HA -0.233 nan 4.320 nan 0.000 0.203 142 K C 1.662 178.124 176.600 -0.230 0.000 1.050 142 K CA 2.575 58.767 56.287 -0.159 0.000 0.945 142 K CB -0.257 32.096 32.500 -0.245 0.000 0.732 142 K HN -0.324 7.886 8.250 -0.015 0.031 0.451 143 H N -4.306 114.766 119.070 0.003 0.000 2.553 143 H HA 0.063 nan 4.556 nan 0.000 0.265 143 H C -0.909 174.443 175.328 0.040 0.000 0.964 143 H CA 0.229 56.300 56.048 0.037 0.000 1.156 143 H CB 0.498 30.307 29.762 0.078 0.000 1.411 143 H HN -0.315 7.871 8.280 0.110 0.160 0.558 144 L N -0.240 121.044 121.223 0.102 0.000 2.426 144 L HA -0.202 nan 4.340 nan 0.000 0.271 144 L C -0.079 176.806 176.870 0.026 0.000 1.169 144 L CA 0.607 55.493 54.840 0.075 0.000 0.836 144 L CB 0.284 42.361 42.059 0.030 0.000 1.112 144 L HN -0.725 7.377 8.230 0.062 0.165 0.465 145 Q N 2.645 122.463 119.800 0.029 0.000 2.416 145 Q HA 0.404 nan 4.340 nan 0.000 0.279 145 Q C -1.402 174.600 176.000 0.004 0.000 1.101 145 Q CA -3.073 52.704 55.803 -0.043 0.000 0.830 145 Q CB 1.205 29.825 28.738 -0.197 0.000 1.402 145 Q HN -0.055 8.281 8.270 0.110 0.000 0.445 146 P HA -0.098 nan 4.420 nan 0.000 0.220 146 P C -0.874 176.440 177.300 0.024 0.000 1.148 146 P CA 1.933 65.036 63.100 0.005 0.000 0.803 146 P CB 0.051 31.748 31.700 -0.005 0.000 0.782 147 N N -6.247 112.472 118.700 0.031 0.000 2.268 147 N HA -0.001 nan 4.740 nan 0.000 0.204 147 N C -0.849 174.732 175.510 0.118 0.000 1.124 147 N CA -0.545 52.541 53.050 0.060 0.000 0.838 147 N CB -1.120 37.397 38.487 0.050 0.000 0.994 147 N HN -0.022 8.337 8.380 0.006 0.024 0.489 148 T N 3.335 117.977 114.554 0.146 0.000 2.761 148 T HA -0.045 nan 4.350 nan 0.000 0.287 148 T C -0.324 174.425 174.700 0.081 0.000 0.931 148 T CA 1.920 64.132 62.100 0.188 0.000 1.164 148 T CB -0.212 68.790 68.868 0.225 0.000 0.876 148 T HN -0.466 7.661 8.240 0.107 0.177 0.534 149 K N 8.407 128.840 120.400 0.055 0.000 2.244 149 K HA 0.119 nan 4.320 nan 0.000 0.200 149 K C -1.183 175.428 176.600 0.018 0.000 1.052 149 K CA 0.567 56.881 56.287 0.044 0.000 0.980 149 K CB 1.869 34.411 32.500 0.070 0.000 0.838 149 K HN 0.623 8.902 8.250 0.048 0.000 0.481 150 I N -2.830 117.743 120.570 0.006 0.000 2.498 150 I HA 0.451 nan 4.170 nan 0.000 0.290 150 I C -2.034 174.098 176.117 0.024 0.000 1.032 150 I CA -1.064 60.246 61.300 0.017 0.000 1.073 150 I CB 3.722 41.765 38.000 0.072 0.000 1.251 150 I HN -0.774 7.425 8.210 -0.018 0.000 0.426 151 V N 6.134 126.074 119.914 0.044 0.000 2.357 151 V HA 0.599 nan 4.120 nan 0.000 0.284 151 V C -1.850 174.343 176.094 0.167 0.000 1.018 151 V CA -1.432 60.916 62.300 0.080 0.000 0.841 151 V CB 1.100 32.919 31.823 -0.007 0.000 0.991 151 V HN 0.471 8.673 8.190 0.020 0.000 0.437 152 F N 9.089 129.108 119.950 0.116 0.000 2.388 152 F HA 0.739 nan 4.527 nan 0.000 0.358 152 F C -2.310 173.620 175.800 0.217 0.000 1.122 152 F CA -1.724 56.357 58.000 0.135 0.000 1.056 152 F CB 2.558 41.622 39.000 0.107 0.000 1.155 152 F HN 0.762 9.188 8.300 0.388 0.107 0.461 153 L N 5.673 126.849 121.223 -0.079 0.000 2.332 153 L HA 0.765 nan 4.340 nan 0.000 0.269 153 L C -1.945 174.970 176.870 0.076 0.000 1.016 153 L CA -1.306 53.631 54.840 0.161 0.000 0.809 153 L CB 2.575 44.703 42.059 0.115 0.000 1.280 153 L HN 0.875 8.860 8.230 -0.409 0.000 0.447 154 E N 0.212 120.584 120.200 0.287 0.000 2.404 154 E HA 0.263 nan 4.350 nan 0.000 0.298 154 E C -2.453 174.063 176.600 -0.140 0.000 0.908 154 E CA -0.113 56.347 56.400 0.099 0.000 0.808 154 E CB 3.079 32.899 29.700 0.199 0.000 1.380 154 E HN -0.046 8.703 8.360 0.648 0.000 0.392 155 S N 5.919 121.537 115.700 -0.138 0.000 2.672 155 S HA 0.379 nan 4.470 nan 0.000 0.291 155 S C -2.613 171.904 174.600 -0.138 0.000 1.145 155 S CA -3.337 54.696 58.200 -0.278 0.000 1.013 155 S CB 1.533 64.567 63.200 -0.276 0.000 1.017 155 S HN -0.154 8.139 8.310 -0.028 0.000 0.487 156 P HA 0.115 nan 4.420 nan 0.000 0.272 156 P C -0.943 176.138 177.300 -0.365 0.000 1.230 156 P CA -0.621 62.145 63.100 -0.558 0.000 0.788 156 P CB 0.846 31.932 31.700 -1.023 0.000 0.949 157 G N -0.989 107.621 108.800 -0.317 0.000 2.569 157 G HA2 0.018 nan 3.960 nan 0.000 0.249 157 G HA3 0.018 nan 3.960 nan 0.000 0.249 157 G C -0.146 174.683 174.900 -0.118 0.000 1.216 157 G CA -0.774 44.219 45.100 -0.178 0.000 0.845 157 G HN -0.072 7.977 8.290 -0.345 0.033 0.568 158 S N 2.108 117.807 115.700 -0.002 0.000 2.533 158 S HA -0.007 nan 4.470 nan 0.000 0.282 158 S C 0.906 175.498 174.600 -0.013 0.000 1.304 158 S CA 1.970 60.201 58.200 0.052 0.000 1.063 158 S CB 0.321 63.642 63.200 0.203 0.000 0.881 158 S HN -0.321 8.012 8.310 0.039 0.000 0.493 159 I N 0.533 121.070 120.570 -0.056 0.000 4.519 159 I HA -0.568 nan 4.170 nan 0.000 0.056 159 I C 0.878 176.912 176.117 -0.138 0.000 0.610 159 I CA 3.185 64.430 61.300 -0.091 0.000 0.951 159 I CB -1.576 36.402 38.000 -0.036 0.000 0.858 159 I HN 0.815 8.982 8.210 -0.072 0.000 0.164 160 T N -4.296 110.188 114.554 -0.115 0.000 3.088 160 T HA 0.002 nan 4.350 nan 0.000 0.259 160 T C 0.627 175.233 174.700 -0.157 0.000 1.122 160 T CA 0.759 62.779 62.100 -0.133 0.000 1.095 160 T CB 0.364 69.192 68.868 -0.065 0.000 0.930 160 T HN 0.105 8.229 8.240 -0.078 0.068 0.508 161 M N -4.239 115.241 119.600 -0.201 0.000 2.818 161 M HA -0.425 nan 4.480 nan 0.000 0.194 161 M C -0.919 175.206 176.300 -0.291 0.000 0.586 161 M CA -0.207 54.913 55.300 -0.299 0.000 0.664 161 M CB -2.803 29.615 32.600 -0.303 0.000 2.418 161 M HN -0.481 7.656 8.290 -0.186 0.040 0.517 162 E N -1.738 118.340 120.200 -0.204 0.000 2.384 162 E HA -0.028 nan 4.350 nan 0.000 0.266 162 E C -0.341 176.129 176.600 -0.217 0.000 1.012 162 E CA 0.816 57.126 56.400 -0.150 0.000 0.901 162 E CB 0.351 30.013 29.700 -0.063 0.000 0.967 162 E HN -0.263 7.955 8.360 -0.173 0.038 0.435 163 V N 4.819 124.661 119.914 -0.119 0.000 2.394 163 V HA 0.110 nan 4.120 nan 0.000 0.282 163 V C -0.421 175.749 176.094 0.127 0.000 1.031 163 V CA -1.238 61.011 62.300 -0.086 0.000 0.881 163 V CB 0.267 32.069 31.823 -0.034 0.000 0.982 163 V HN -0.294 7.868 8.190 -0.046 0.000 0.451 164 H N 6.144 125.237 119.070 0.039 0.000 2.679 164 H HA 0.107 nan 4.556 nan 0.000 0.369 164 H C -0.220 174.988 175.328 -0.199 0.000 1.178 164 H CA -0.696 55.343 56.048 -0.016 0.000 1.419 164 H CB 1.166 30.905 29.762 -0.038 0.000 1.458 164 H HN -0.005 8.184 8.280 -0.152 0.000 0.605 165 D N 2.236 122.428 120.400 -0.347 0.000 2.557 165 D HA 0.053 nan 4.640 nan 0.000 0.236 165 D C 0.427 176.541 176.300 -0.310 0.000 1.154 165 D CA -1.819 51.682 54.000 -0.833 0.000 0.985 165 D CB -0.781 39.282 40.800 -1.230 0.000 1.010 165 D HN 0.342 8.601 8.370 -0.185 0.000 0.516 166 V N 4.334 124.157 119.914 -0.152 0.000 2.282 166 V HA -0.338 nan 4.120 nan 0.000 0.249 166 V C -0.581 175.516 176.094 0.005 0.000 1.057 166 V CA 5.892 68.159 62.300 -0.054 0.000 1.032 166 V CB -2.382 29.434 31.823 -0.011 0.000 0.645 166 V HN -0.398 7.675 8.190 -0.143 0.030 0.447 167 P HA -0.249 nan 4.420 nan 0.000 0.216 167 P C 1.091 178.403 177.300 0.020 0.000 1.153 167 P CA 3.451 66.623 63.100 0.120 0.000 0.858 167 P CB -0.754 31.042 31.700 0.161 0.000 0.789 168 A N -3.041 119.750 122.820 -0.047 0.000 1.898 168 A HA -0.207 nan 4.320 nan 0.000 0.216 168 A C 2.292 179.831 177.584 -0.075 0.000 1.181 168 A CA 2.892 54.891 52.037 -0.063 0.000 0.620 168 A CB -0.610 18.329 19.000 -0.101 0.000 0.819 168 A HN -0.707 7.591 8.150 -0.091 -0.202 0.442 169 I N -1.113 119.391 120.570 -0.109 0.000 2.163 169 I HA -0.537 nan 4.170 nan 0.000 0.240 169 I C 1.730 177.787 176.117 -0.101 0.000 1.081 169 I CA 4.425 65.639 61.300 -0.143 0.000 1.353 169 I CB -0.035 37.835 38.000 -0.216 0.000 1.054 169 I HN -0.381 7.681 8.210 -0.123 0.075 0.407 170 V N -0.521 119.361 119.914 -0.053 0.000 2.287 170 V HA -0.523 nan 4.120 nan 0.000 0.248 170 V C 1.815 177.896 176.094 -0.021 0.000 1.053 170 V CA 4.739 67.025 62.300 -0.023 0.000 1.027 170 V CB -1.279 30.562 31.823 0.030 0.000 0.646 170 V HN 0.329 8.496 8.190 -0.038 0.000 0.447 171 A N -1.945 120.867 122.820 -0.013 0.000 1.902 171 A HA -0.351 nan 4.320 nan 0.000 0.217 171 A C 1.731 179.301 177.584 -0.023 0.000 1.181 171 A CA 3.336 55.366 52.037 -0.012 0.000 0.623 171 A CB -0.870 18.128 19.000 -0.004 0.000 0.818 171 A HN -0.260 7.886 8.150 -0.006 0.000 0.443 172 A N -1.923 120.875 122.820 -0.037 0.000 1.877 172 A HA -0.255 nan 4.320 nan 0.000 0.216 172 A C 2.470 180.027 177.584 -0.044 0.000 1.186 172 A CA 3.048 55.060 52.037 -0.041 0.000 0.620 172 A CB -0.571 18.396 19.000 -0.056 0.000 0.822 172 A HN -0.430 7.694 8.150 -0.044 0.000 0.443 173 V N 0.012 119.891 119.914 -0.058 0.000 2.295 173 V HA -0.460 nan 4.120 nan 0.000 0.246 173 V C 2.282 178.357 176.094 -0.032 0.000 1.049 173 V CA 4.397 66.665 62.300 -0.053 0.000 1.024 173 V CB -1.128 30.654 31.823 -0.069 0.000 0.648 173 V HN 0.196 8.344 8.190 -0.070 0.000 0.447 174 R N -1.082 119.402 120.500 -0.027 0.000 2.120 174 R HA -0.226 nan 4.340 nan 0.000 0.234 174 R C 2.573 178.865 176.300 -0.013 0.000 1.123 174 R CA 2.044 58.133 56.100 -0.018 0.000 0.975 174 R CB -0.990 29.301 30.300 -0.014 0.000 0.866 174 R HN 0.267 8.519 8.270 -0.030 0.000 0.446 175 S N -2.250 113.441 115.700 -0.015 0.000 2.423 175 S HA -0.099 nan 4.470 nan 0.000 0.231 175 S C 1.010 175.604 174.600 -0.010 0.000 1.014 175 S CA 2.707 60.900 58.200 -0.011 0.000 0.965 175 S CB 0.335 63.528 63.200 -0.011 0.000 0.785 175 S HN -0.274 8.012 8.310 -0.018 0.013 0.495 176 V N 0.238 120.144 119.914 -0.012 0.000 2.599 176 V HA 0.113 nan 4.120 nan 0.000 0.237 176 V C 0.326 176.417 176.094 -0.005 0.000 1.081 176 V CA 1.769 64.064 62.300 -0.009 0.000 1.107 176 V CB 1.893 33.709 31.823 -0.012 0.000 0.808 176 V HN -0.767 7.271 8.190 -0.016 0.142 0.486 177 V N -0.234 119.676 119.914 -0.006 0.000 2.266 177 V HA 0.558 nan 4.120 nan 0.000 0.266 177 V C -1.524 174.567 176.094 -0.005 0.000 1.036 177 V CA -3.014 59.286 62.300 -0.001 0.000 0.828 177 V CB -1.327 30.499 31.823 0.005 0.000 1.081 177 V HN 0.246 8.331 8.190 -0.011 0.098 0.449 178 P HA -0.221 nan 4.420 nan 0.000 0.216 178 P C -0.401 176.896 177.300 -0.004 0.000 1.153 178 P CA 2.395 65.492 63.100 -0.004 0.000 0.858 178 P CB 0.260 31.960 31.700 -0.001 0.000 0.789 179 D N -4.175 116.225 120.400 0.001 0.000 2.336 179 D HA -0.053 nan 4.640 nan 0.000 0.228 179 D C -0.427 175.870 176.300 -0.006 0.000 1.120 179 D CA -1.512 52.490 54.000 0.003 0.000 0.839 179 D CB -1.212 39.597 40.800 0.015 0.000 0.932 179 D HN 0.112 8.468 8.370 0.004 0.017 0.509 180 A N 0.293 123.105 122.820 -0.013 0.000 2.366 180 A HA 0.243 nan 4.320 nan 0.000 0.249 180 A C -1.358 176.189 177.584 -0.061 0.000 1.084 180 A CA 0.158 52.181 52.037 -0.023 0.000 0.794 180 A CB 1.079 20.068 19.000 -0.018 0.000 1.034 180 A HN -0.523 7.544 8.150 -0.012 0.076 0.491 181 I N 0.418 120.929 120.570 -0.098 0.000 2.328 181 I HA 0.316 nan 4.170 nan 0.000 0.287 181 I C -1.178 174.866 176.117 -0.122 0.000 1.012 181 I CA -0.484 60.702 61.300 -0.190 0.000 1.195 181 I CB 0.834 38.574 38.000 -0.433 0.000 1.350 181 I HN 0.424 8.591 8.210 -0.072 0.000 0.464 182 I N 8.504 129.016 120.570 -0.097 0.000 2.315 182 I HA 0.374 nan 4.170 nan 0.000 0.291 182 I C -1.207 174.863 176.117 -0.078 0.000 1.006 182 I CA -0.391 60.871 61.300 -0.063 0.000 1.265 182 I CB 0.429 38.402 38.000 -0.045 0.000 1.387 182 I HN 0.467 8.959 8.210 -0.100 -0.343 0.475 183 M N 6.498 126.039 119.600 -0.098 0.000 2.662 183 M HA 0.859 nan 4.480 nan 0.000 0.310 183 M C -1.966 174.113 176.300 -0.368 0.000 1.204 183 M CA -1.178 54.018 55.300 -0.173 0.000 0.891 183 M CB 4.519 37.054 32.600 -0.108 0.000 1.732 183 M HN 0.460 8.705 8.290 -0.076 0.000 0.467 184 I N -0.360 120.008 120.570 -0.337 0.000 2.656 184 I HA 0.449 nan 4.170 nan 0.000 0.292 184 I C -3.043 172.920 176.117 -0.255 0.000 1.144 184 I CA -1.568 59.529 61.300 -0.339 0.000 1.038 184 I CB 4.079 42.048 38.000 -0.051 0.000 1.244 184 I HN 0.427 8.516 8.210 -0.202 0.000 0.420 185 D N 8.605 128.864 120.400 -0.235 0.000 2.411 185 D HA 0.154 nan 4.640 nan 0.000 0.225 185 D C -1.246 175.113 176.300 0.098 0.000 1.156 185 D CA -0.729 53.285 54.000 0.024 0.000 0.874 185 D CB -0.100 40.821 40.800 0.201 0.000 1.034 185 D HN 0.085 8.255 8.370 -0.334 0.000 0.502 186 N N 6.445 125.220 118.700 0.126 0.000 2.378 186 N HA 0.194 nan 4.740 nan 0.000 0.243 186 N C 0.764 176.428 175.510 0.258 0.000 1.137 186 N CA -0.463 52.711 53.050 0.208 0.000 0.862 186 N CB 0.607 39.214 38.487 0.199 0.000 1.116 186 N HN 0.519 8.956 8.380 0.096 0.000 0.499 187 T N 1.627 116.332 114.554 0.251 0.000 2.746 187 T HA -0.250 nan 4.350 nan 0.000 0.267 187 T C 1.557 176.545 174.700 0.479 0.000 1.039 187 T CA 5.019 67.271 62.100 0.254 0.000 1.142 187 T CB -0.441 68.498 68.868 0.118 0.000 0.866 187 T HN -0.487 7.997 8.240 0.217 -0.114 0.444 188 W N 2.229 123.787 121.300 0.431 0.000 2.342 188 W HA -0.364 nan 4.660 nan 0.000 0.297 188 W C 0.457 177.224 176.519 0.413 0.000 1.213 188 W CA 3.774 61.427 57.345 0.513 0.000 1.251 188 W CB -0.113 29.527 29.460 0.300 0.000 1.136 188 W HN -0.085 8.502 8.180 0.678 0.000 0.526 189 A N -4.279 118.943 122.820 0.670 0.000 2.238 189 A HA -0.013 nan 4.320 nan 0.000 0.208 189 A C -1.030 176.697 177.584 0.238 0.000 1.177 189 A CA 0.099 52.423 52.037 0.478 0.000 0.804 189 A CB -1.131 18.225 19.000 0.594 0.000 0.823 189 A HN -0.325 8.246 8.150 0.701 0.000 0.482 190 A N -4.097 118.868 122.820 0.241 0.000 2.826 190 A HA -0.375 nan 4.320 nan 0.000 0.274 190 A C 0.845 178.509 177.584 0.135 0.000 1.443 190 A CA 0.767 52.907 52.037 0.172 0.000 0.833 190 A CB -2.088 16.973 19.000 0.102 0.000 1.023 190 A HN -0.331 7.809 8.150 0.328 0.206 0.600 191 G N -5.589 103.306 108.800 0.158 0.000 2.302 191 G HA2 -0.472 nan 3.960 nan 0.000 0.263 191 G HA3 -0.472 nan 3.960 nan 0.000 0.263 191 G C 0.180 175.127 174.900 0.079 0.000 0.995 191 G CA 0.988 46.157 45.100 0.114 0.000 0.622 191 G HN -0.128 8.257 8.290 0.211 0.032 0.538 192 V N -6.360 113.605 119.914 0.086 0.000 3.523 192 V HA 0.340 nan 4.120 nan 0.000 0.255 192 V C 0.680 176.821 176.094 0.079 0.000 1.226 192 V CA 0.453 62.789 62.300 0.060 0.000 1.092 192 V CB 0.041 31.894 31.823 0.049 0.000 0.817 192 V HN -0.640 7.501 8.190 0.102 0.110 0.458 193 L N -1.670 119.638 121.223 0.143 0.000 2.492 193 L HA 0.015 nan 4.340 nan 0.000 0.223 193 L C -0.567 176.394 176.870 0.153 0.000 1.132 193 L CA 1.662 56.632 54.840 0.217 0.000 0.850 193 L CB 0.528 42.806 42.059 0.365 0.000 0.966 193 L HN -0.407 7.920 8.230 0.162 0.000 0.454 194 F N -1.397 118.454 119.950 -0.166 0.000 2.730 194 F HA 0.138 nan 4.527 nan 0.000 0.335 194 F C -2.069 173.634 175.800 -0.163 0.000 1.212 194 F CA -1.364 56.368 58.000 -0.446 0.000 1.016 194 F CB 2.504 40.911 39.000 -0.988 0.000 1.290 194 F HN -0.828 7.489 8.300 0.115 0.052 0.495 195 K N 8.460 128.565 120.400 -0.491 0.000 2.111 195 K HA 0.095 nan 4.320 nan 0.000 0.249 195 K C 0.202 176.551 176.600 -0.418 0.000 1.157 195 K CA -1.662 54.437 56.287 -0.314 0.000 1.048 195 K CB -2.326 30.086 32.500 -0.147 0.000 1.498 195 K HN 0.627 8.660 8.250 -0.362 0.000 0.344 196 A N 4.675 127.200 122.820 -0.493 0.000 1.903 196 A HA -0.295 nan 4.320 nan 0.000 0.219 196 A C 1.791 179.342 177.584 -0.056 0.000 1.191 196 A CA 3.172 55.030 52.037 -0.299 0.000 0.638 196 A CB -0.581 18.407 19.000 -0.020 0.000 0.823 196 A HN 0.008 7.918 8.150 -0.350 0.030 0.451 197 L N -3.861 117.329 121.223 -0.054 0.000 2.265 197 L HA -0.258 nan 4.340 nan 0.000 0.215 197 L C 2.179 179.017 176.870 -0.054 0.000 1.117 197 L CA 2.277 57.096 54.840 -0.034 0.000 0.782 197 L CB -0.807 41.228 42.059 -0.041 0.000 0.914 197 L HN 0.088 8.273 8.230 -0.074 0.000 0.441 198 D N -0.299 120.044 120.400 -0.095 0.000 2.347 198 D HA -0.129 nan 4.640 nan 0.000 0.215 198 D C 0.989 177.088 176.300 -0.336 0.000 0.976 198 D CA 2.625 56.489 54.000 -0.226 0.000 0.884 198 D CB -0.153 40.448 40.800 -0.332 0.000 0.915 198 D HN -0.341 7.840 8.370 -0.086 0.137 0.526 199 F N -1.977 117.865 119.950 -0.180 0.000 2.641 199 F HA 0.151 nan 4.527 nan 0.000 0.302 199 F C 0.662 176.424 175.800 -0.063 0.000 1.098 199 F CA -0.158 57.773 58.000 -0.114 0.000 1.318 199 F CB -0.025 38.911 39.000 -0.107 0.000 1.035 199 F HN -0.400 7.814 8.300 0.156 0.180 0.551 200 G N -0.961 107.871 108.800 0.054 0.000 2.157 200 G HA2 -0.476 nan 3.960 nan 0.000 0.248 200 G HA3 -0.476 nan 3.960 nan 0.000 0.248 200 G C -1.202 173.717 174.900 0.031 0.000 0.979 200 G CA 0.288 45.405 45.100 0.028 0.000 0.650 200 G HN -0.609 7.621 8.290 0.005 0.063 0.529 201 I N -0.161 120.437 120.570 0.047 0.000 2.474 201 I HA -0.120 nan 4.170 nan 0.000 0.287 201 I C -0.259 175.859 176.117 0.000 0.000 1.048 201 I CA 0.968 62.282 61.300 0.024 0.000 1.383 201 I CB 0.414 38.441 38.000 0.045 0.000 1.412 201 I HN -0.745 7.460 8.210 0.073 0.049 0.531 202 D N 6.514 126.901 120.400 -0.022 0.000 2.137 202 D HA 0.037 nan 4.640 nan 0.000 0.202 202 D C -0.808 175.493 176.300 0.002 0.000 0.970 202 D CA 3.149 57.133 54.000 -0.026 0.000 0.837 202 D CB 1.255 42.005 40.800 -0.083 0.000 0.981 202 D HN 0.057 8.406 8.370 -0.036 0.000 0.475 203 V N -2.450 117.462 119.914 -0.003 0.000 2.577 203 V HA 0.412 nan 4.120 nan 0.000 0.303 203 V C -2.125 173.986 176.094 0.029 0.000 1.042 203 V CA -1.478 60.849 62.300 0.045 0.000 0.872 203 V CB 2.771 34.643 31.823 0.083 0.000 0.998 203 V HN -0.619 7.553 8.190 -0.030 0.000 0.423 204 S N 4.831 120.562 115.700 0.051 0.000 2.438 204 S HA 0.728 nan 4.470 nan 0.000 0.316 204 S C -1.150 173.494 174.600 0.073 0.000 1.084 204 S CA -1.724 56.505 58.200 0.048 0.000 1.107 204 S CB 0.938 64.167 63.200 0.049 0.000 0.981 204 S HN 0.496 8.845 8.310 0.065 0.000 0.466 205 I N 7.421 128.027 120.570 0.059 0.000 2.437 205 I HA 0.499 nan 4.170 nan 0.000 0.298 205 I C -1.984 174.179 176.117 0.076 0.000 0.984 205 I CA -0.446 60.900 61.300 0.077 0.000 1.214 205 I CB 1.969 40.015 38.000 0.078 0.000 1.365 205 I HN 1.085 9.309 8.210 0.024 0.000 0.469 206 Q N 3.978 123.820 119.800 0.070 0.000 2.359 206 Q HA 0.534 nan 4.340 nan 0.000 0.274 206 Q C -1.942 174.060 176.000 0.004 0.000 1.074 206 Q CA -1.672 54.161 55.803 0.051 0.000 0.810 206 Q CB 5.147 33.923 28.738 0.065 0.000 1.342 206 Q HN 0.474 8.791 8.270 0.079 0.000 0.427 207 A N 2.873 125.655 122.820 -0.064 0.000 2.650 207 A HA 0.420 nan 4.320 nan 0.000 0.320 207 A C -0.687 176.817 177.584 -0.133 0.000 1.466 207 A CA -1.289 50.671 52.037 -0.128 0.000 1.099 207 A CB -0.388 18.458 19.000 -0.257 0.000 1.136 207 A HN 0.565 8.675 8.150 -0.067 0.000 0.532 208 A N 4.974 127.760 122.820 -0.056 0.000 2.131 208 A HA -0.225 nan 4.320 nan 0.000 0.220 208 A C 0.256 177.785 177.584 -0.092 0.000 1.158 208 A CA 1.853 53.866 52.037 -0.040 0.000 0.665 208 A CB -0.059 18.946 19.000 0.009 0.000 0.795 208 A HN 0.111 8.252 8.150 -0.015 0.000 0.460 212 L N 0.626 121.910 121.223 0.102 0.000 2.017 212 L HA -0.324 nan 4.340 nan 0.000 0.208 212 L C 1.419 178.335 176.870 0.078 0.000 1.073 212 L CA 2.560 57.449 54.840 0.081 0.000 0.745 212 L CB -0.138 41.949 42.059 0.047 0.000 0.894 212 L HN -0.215 8.049 8.230 0.056 0.000 0.432 213 V N -3.733 116.208 119.914 0.045 0.000 2.323 213 V HA -0.232 nan 4.120 nan 0.000 0.244 213 V C 1.514 177.729 176.094 0.202 0.000 1.041 213 V CA 2.891 65.241 62.300 0.083 0.000 1.025 213 V CB 0.060 31.898 31.823 0.026 0.000 0.656 213 V HN 0.021 8.210 8.190 -0.001 0.000 0.451 214 G N -3.142 105.710 108.800 0.086 0.000 2.186 214 G HA2 -0.474 nan 3.960 nan 0.000 0.266 214 G HA3 -0.474 nan 3.960 nan 0.000 0.266 214 G C -0.438 174.387 174.900 -0.126 0.000 0.982 214 G CA 1.986 47.102 45.100 0.028 0.000 0.670 214 G HN 0.406 8.691 8.290 -0.008 0.000 0.533 215 H N -2.767 116.341 119.070 0.063 0.000 3.052 215 H HA 0.216 nan 4.556 nan 0.000 0.257 215 H C -0.900 174.420 175.328 -0.014 0.000 1.193 215 H CA -2.157 53.978 56.048 0.144 0.000 1.072 215 H CB 1.199 31.099 29.762 0.229 0.000 1.685 215 H HN -0.251 8.086 8.280 0.201 0.064 0.630 216 S N -1.851 113.832 115.700 -0.028 0.000 3.521 216 S HA -0.341 nan 4.470 nan 0.000 0.328 216 S C -0.740 173.848 174.600 -0.019 0.000 1.165 216 S CA 1.942 60.088 58.200 -0.090 0.000 0.941 216 S CB -1.142 61.953 63.200 -0.176 0.000 0.951 216 S HN 0.467 8.740 8.310 -0.062 0.000 0.539 217 D N -4.243 116.175 120.400 0.031 0.000 2.563 217 D HA 0.080 nan 4.640 nan 0.000 0.237 217 D C -1.520 174.791 176.300 0.017 0.000 1.282 217 D CA -0.427 53.592 54.000 0.032 0.000 0.816 217 D CB 0.236 41.074 40.800 0.063 0.000 1.066 217 D HN -0.045 8.334 8.370 0.056 0.024 0.501 218 A N -0.678 122.143 122.820 0.002 0.000 2.589 218 A HA 0.235 nan 4.320 nan 0.000 0.296 218 A C -1.851 175.721 177.584 -0.019 0.000 1.062 218 A CA -0.079 51.958 52.037 -0.001 0.000 0.686 218 A CB 2.953 21.959 19.000 0.009 0.000 1.282 218 A HN -0.588 7.555 8.150 -0.011 0.000 0.404 219 M N 1.488 121.082 119.600 -0.011 0.000 2.321 219 M HA 0.469 nan 4.480 nan 0.000 0.315 219 M C -1.294 175.010 176.300 0.007 0.000 1.052 219 M CA -0.302 54.988 55.300 -0.017 0.000 0.936 219 M CB 3.111 35.703 32.600 -0.013 0.000 1.639 219 M HN 0.195 8.485 8.290 0.000 0.000 0.433 220 I N -0.188 120.386 120.570 0.006 0.000 2.771 220 I HA 0.369 nan 4.170 nan 0.000 0.291 220 I C -2.454 173.697 176.117 0.057 0.000 1.527 220 I CA -0.286 61.043 61.300 0.048 0.000 1.024 220 I CB 4.548 42.575 38.000 0.045 0.000 1.388 220 I HN 0.554 8.751 8.210 -0.022 0.000 0.447 221 G N 4.316 113.197 108.800 0.136 0.000 2.452 221 G HA2 0.672 nan 3.960 nan 0.000 0.324 221 G HA3 0.672 nan 3.960 nan 0.000 0.324 221 G C -2.633 172.441 174.900 0.290 0.000 1.214 221 G CA -1.243 43.950 45.100 0.154 0.000 0.947 221 G HN 0.261 8.561 8.290 0.189 0.104 0.478 222 T N -2.571 112.121 114.554 0.229 0.000 2.893 222 T HA 0.915 nan 4.350 nan 0.000 0.291 222 T C -2.109 172.754 174.700 0.271 0.000 1.028 222 T CA -2.471 59.788 62.100 0.267 0.000 0.995 222 T CB 3.086 72.045 68.868 0.150 0.000 1.051 222 T HN 0.480 8.805 8.240 0.142 0.000 0.470 223 A N 2.070 125.092 122.820 0.337 0.000 2.411 223 A HA 0.730 nan 4.320 nan 0.000 0.285 223 A C -2.312 175.404 177.584 0.221 0.000 1.129 223 A CA -0.784 51.429 52.037 0.293 0.000 0.736 223 A CB 1.870 21.133 19.000 0.440 0.000 1.186 223 A HN 0.567 8.928 8.150 0.352 0.000 0.445 224 V N 4.394 124.390 119.914 0.137 0.000 2.383 224 V HA 0.554 nan 4.120 nan 0.000 0.275 224 V C -1.051 175.087 176.094 0.073 0.000 1.036 224 V CA -0.602 61.740 62.300 0.070 0.000 0.889 224 V CB 0.737 32.577 31.823 0.028 0.000 0.985 224 V HN 0.488 8.752 8.190 0.123 0.000 0.459 225 C N 7.663 127.001 119.300 0.064 0.000 2.470 225 C HA 0.784 nan 4.460 nan 0.000 0.341 225 C C -0.879 174.132 174.990 0.034 0.000 1.190 225 C CA -2.003 57.078 59.018 0.105 0.000 1.904 225 C CB 2.527 30.424 27.740 0.262 0.000 2.354 225 C HN 0.760 8.994 8.230 0.007 0.000 0.509 226 N N 1.074 119.811 118.700 0.062 0.000 2.405 226 N HA 0.044 nan 4.740 nan 0.000 0.269 226 N C 0.921 176.487 175.510 0.094 0.000 1.249 226 N CA -1.020 52.052 53.050 0.036 0.000 0.974 226 N CB 0.444 38.947 38.487 0.025 0.000 1.204 226 N HN -0.122 8.308 8.380 0.082 0.000 0.565 227 A N 0.511 123.376 122.820 0.076 0.000 1.940 227 A HA -0.333 nan 4.320 nan 0.000 0.219 227 A C 1.533 179.219 177.584 0.170 0.000 1.176 227 A CA 2.874 54.990 52.037 0.132 0.000 0.631 227 A CB -0.627 18.423 19.000 0.083 0.000 0.814 227 A HN 0.481 8.653 8.150 0.037 0.000 0.446 228 R N -3.198 117.376 120.500 0.124 0.000 2.091 228 R HA -0.165 nan 4.340 nan 0.000 0.238 228 R C 1.053 177.460 176.300 0.178 0.000 1.136 228 R CA 2.352 58.524 56.100 0.121 0.000 0.959 228 R CB -0.210 30.135 30.300 0.075 0.000 0.856 228 R HN -0.153 8.157 8.270 0.091 0.015 0.437 229 C N -2.406 117.027 119.300 0.222 0.000 2.926 229 C HA 0.339 nan 4.460 nan 0.000 0.272 229 C C 1.229 176.480 174.990 0.435 0.000 1.249 229 C CA 0.174 59.403 59.018 0.352 0.000 1.691 229 C CB -1.087 26.816 27.740 0.272 0.000 1.983 229 C HN -0.421 8.179 8.230 0.188 -0.257 0.615 230 W N 2.091 123.482 121.300 0.151 0.000 2.315 230 W HA -0.573 nan 4.660 nan 0.000 0.323 230 W C 0.892 177.461 176.519 0.083 0.000 1.233 230 W CA 4.351 61.765 57.345 0.114 0.000 1.267 230 W CB -0.335 29.165 29.460 0.066 0.000 1.160 230 W HN -0.289 8.151 8.180 0.433 0.000 0.474 231 E N -3.526 116.589 120.200 -0.140 0.000 2.058 231 E HA -0.539 nan 4.350 nan 0.000 0.194 231 E C 2.117 178.591 176.600 -0.210 0.000 0.997 231 E CA 3.144 59.337 56.400 -0.345 0.000 0.801 231 E CB -1.737 27.829 29.700 -0.224 0.000 0.746 231 E HN 0.474 8.872 8.360 0.064 0.000 0.450 232 Q N -0.542 119.208 119.800 -0.083 0.000 2.050 232 Q HA -0.252 nan 4.340 nan 0.000 0.202 232 Q C 2.467 178.306 176.000 -0.268 0.000 0.980 232 Q CA 2.556 58.262 55.803 -0.163 0.000 0.840 232 Q CB -0.048 28.606 28.738 -0.140 0.000 0.898 232 Q HN -0.420 7.861 8.270 0.018 0.000 0.424 233 L N -0.295 120.833 121.223 -0.158 0.000 2.027 233 L HA -0.311 nan 4.340 nan 0.000 0.206 233 L C 1.613 178.486 176.870 0.004 0.000 1.074 233 L CA 2.814 57.619 54.840 -0.058 0.000 0.745 233 L CB -0.421 41.814 42.059 0.292 0.000 0.898 233 L HN -0.413 7.839 8.230 0.037 0.000 0.433 234 R N -0.931 119.544 120.500 -0.041 0.000 2.080 234 R HA -0.458 nan 4.340 nan 0.000 0.236 234 R C 2.259 178.509 176.300 -0.082 0.000 1.137 234 R CA 3.814 59.855 56.100 -0.097 0.000 0.943 234 R CB -0.158 29.922 30.300 -0.367 0.000 0.846 234 R HN 0.203 8.433 8.270 -0.066 0.000 0.431 235 E N -2.282 117.839 120.200 -0.132 0.000 2.106 235 E HA -0.251 nan 4.350 nan 0.000 0.192 235 E C 2.748 179.356 176.600 0.014 0.000 0.984 235 E CA 2.501 58.865 56.400 -0.060 0.000 0.806 235 E CB -0.659 28.975 29.700 -0.109 0.000 0.750 235 E HN -0.004 8.240 8.360 -0.194 0.000 0.458 236 N N -0.388 118.289 118.700 -0.039 0.000 2.270 236 N HA -0.149 nan 4.740 nan 0.000 0.181 236 N C 2.053 177.582 175.510 0.032 0.000 1.016 236 N CA 2.444 55.480 53.050 -0.024 0.000 0.870 236 N CB -0.358 38.071 38.487 -0.097 0.000 0.979 236 N HN -0.285 8.039 8.380 -0.093 0.000 0.431 237 A N 0.256 123.113 122.820 0.061 0.000 1.968 237 A HA -0.189 nan 4.320 nan 0.000 0.217 237 A C 1.558 179.187 177.584 0.074 0.000 1.169 237 A CA 2.740 54.840 52.037 0.105 0.000 0.638 237 A CB -0.689 18.370 19.000 0.097 0.000 0.812 237 A HN -0.091 8.081 8.150 0.037 0.000 0.446 238 Y N -0.158 120.119 120.300 -0.039 0.000 2.242 238 Y HA -0.297 nan 4.550 nan 0.000 0.291 238 Y C 2.248 178.148 175.900 0.000 0.000 1.137 238 Y CA 3.374 61.458 58.100 -0.027 0.000 1.181 238 Y CB 0.264 38.705 38.460 -0.032 0.000 0.989 238 Y HN -0.406 7.884 8.280 0.173 0.094 0.527 239 L N -1.132 120.097 121.223 0.009 0.000 2.275 239 L HA -0.277 nan 4.340 nan 0.000 0.215 239 L C 1.436 178.265 176.870 -0.069 0.000 1.119 239 L CA 2.329 57.141 54.840 -0.047 0.000 0.790 239 L CB -0.607 41.458 42.059 0.011 0.000 0.919 239 L HN -0.340 7.867 8.230 0.096 0.080 0.443 240 M N -4.793 114.785 119.600 -0.037 0.000 2.561 240 M HA 0.093 nan 4.480 nan 0.000 0.238 240 M C 0.858 177.132 176.300 -0.044 0.000 1.131 240 M CA -1.168 54.125 55.300 -0.012 0.000 1.046 240 M CB -0.274 32.354 32.600 0.047 0.000 1.532 240 M HN -0.658 7.480 8.290 -0.009 0.146 0.497 241 G N -0.748 107.971 108.800 -0.136 0.000 2.198 241 G HA2 -0.331 nan 3.960 nan 0.000 0.260 241 G HA3 -0.331 nan 3.960 nan 0.000 0.260 241 G C -0.042 174.809 174.900 -0.083 0.000 1.025 241 G CA 0.458 45.460 45.100 -0.164 0.000 0.769 241 G HN -0.261 7.695 8.290 -0.198 0.215 0.507 242 Q N 0.819 120.589 119.800 -0.049 0.000 2.296 242 Q HA 0.067 nan 4.340 nan 0.000 0.262 242 Q C -0.945 175.007 176.000 -0.081 0.000 0.981 242 Q CA -0.174 55.615 55.803 -0.023 0.000 0.905 242 Q CB 0.488 29.236 28.738 0.017 0.000 1.186 242 Q HN -0.204 8.013 8.270 -0.052 0.021 0.399 243 M N -3.259 116.313 119.600 -0.048 0.000 3.012 243 M HA 0.192 nan 4.480 nan 0.000 0.272 243 M C -2.488 173.821 176.300 0.016 0.000 1.187 243 M CA -0.415 54.857 55.300 -0.046 0.000 0.813 243 M CB 2.591 35.161 32.600 -0.049 0.000 1.626 243 M HN -0.151 8.139 8.290 -0.000 0.000 0.507 244 V N -0.266 119.687 119.914 0.065 0.000 2.962 244 V HA 0.398 nan 4.120 nan 0.000 0.313 244 V C -1.792 174.416 176.094 0.190 0.000 1.099 244 V CA -2.073 60.293 62.300 0.109 0.000 0.971 244 V CB 2.181 34.071 31.823 0.112 0.000 1.028 244 V HN -0.051 8.179 8.190 0.066 0.000 0.430 245 D N 3.085 123.553 120.400 0.114 0.000 2.368 245 D HA -0.041 nan 4.640 nan 0.000 0.240 245 D C 0.453 176.767 176.300 0.023 0.000 1.169 245 D CA 0.007 54.066 54.000 0.099 0.000 0.906 245 D CB 1.990 42.808 40.800 0.030 0.000 1.187 245 D HN 0.032 8.445 8.370 0.072 0.000 0.435 246 A N 2.193 124.986 122.820 -0.046 0.000 1.908 246 A HA -0.345 nan 4.320 nan 0.000 0.218 246 A C 1.633 179.108 177.584 -0.183 0.000 1.181 246 A CA 3.143 55.002 52.037 -0.297 0.000 0.627 246 A CB 0.010 18.914 19.000 -0.161 0.000 0.818 246 A HN 0.544 8.722 8.150 0.047 0.000 0.445 247 D N -2.718 117.629 120.400 -0.087 0.000 2.144 247 D HA -0.247 nan 4.640 nan 0.000 0.199 247 D C 2.269 178.580 176.300 0.018 0.000 0.984 247 D CA 4.088 58.066 54.000 -0.037 0.000 0.834 247 D CB -0.109 40.666 40.800 -0.042 0.000 0.955 247 D HN 0.100 8.478 8.370 -0.070 -0.050 0.465 248 T N 2.340 116.889 114.554 -0.009 0.000 2.821 248 T HA -0.182 nan 4.350 nan 0.000 0.267 248 T C 1.429 176.121 174.700 -0.013 0.000 1.046 248 T CA 4.278 66.380 62.100 0.004 0.000 1.139 248 T CB -0.516 68.358 68.868 0.010 0.000 0.871 248 T HN -0.386 8.097 8.240 -0.024 -0.257 0.454 249 A N 1.795 124.571 122.820 -0.074 0.000 1.902 249 A HA -0.240 nan 4.320 nan 0.000 0.217 249 A C 1.127 178.672 177.584 -0.065 0.000 1.181 249 A CA 3.133 55.104 52.037 -0.110 0.000 0.623 249 A CB -0.965 17.849 19.000 -0.309 0.000 0.818 249 A HN -0.387 7.614 8.150 -0.117 0.079 0.443 250 Y N 0.080 120.287 120.300 -0.155 0.000 2.128 250 Y HA -0.418 nan 4.550 nan 0.000 0.284 250 Y C 1.887 177.744 175.900 -0.071 0.000 1.154 250 Y CA 3.767 61.801 58.100 -0.111 0.000 1.149 250 Y CB 0.287 38.684 38.460 -0.106 0.000 0.976 250 Y HN -0.322 7.981 8.280 0.039 0.000 0.505 251 I N -2.406 118.183 120.570 0.033 0.000 2.361 251 I HA -0.507 nan 4.170 nan 0.000 0.251 251 I C 2.303 178.369 176.117 -0.085 0.000 1.133 251 I CA 2.878 64.155 61.300 -0.039 0.000 1.413 251 I CB -1.317 36.705 38.000 0.037 0.000 1.073 251 I HN 0.056 8.352 8.210 0.143 0.000 0.424 252 T N 2.512 117.029 114.554 -0.063 0.000 2.812 252 T HA -0.234 nan 4.350 nan 0.000 0.264 252 T C 2.224 176.881 174.700 -0.071 0.000 1.042 252 T CA 4.902 66.977 62.100 -0.042 0.000 1.140 252 T CB -0.514 68.343 68.868 -0.019 0.000 0.870 252 T HN -0.066 8.040 8.240 -0.048 0.105 0.445 253 S N 2.761 118.385 115.700 -0.127 0.000 2.370 253 S HA -0.397 nan 4.470 nan 0.000 0.226 253 S C 1.748 176.245 174.600 -0.170 0.000 1.033 253 S CA 3.648 61.763 58.200 -0.143 0.000 1.011 253 S CB -0.097 62.991 63.200 -0.188 0.000 0.852 253 S HN -0.171 8.056 8.310 -0.138 0.000 0.457 254 R N 0.685 121.022 120.500 -0.271 0.000 2.096 254 R HA -0.239 nan 4.340 nan 0.000 0.235 254 R C 2.908 179.152 176.300 -0.092 0.000 1.127 254 R CA 2.750 58.702 56.100 -0.246 0.000 0.968 254 R CB -0.015 30.072 30.300 -0.354 0.000 0.861 254 R HN -0.199 7.856 8.270 -0.353 0.003 0.440 255 G N -0.764 108.012 108.800 -0.041 0.000 2.432 255 G HA2 -0.261 nan 3.960 nan 0.000 0.219 255 G HA3 -0.261 nan 3.960 nan 0.000 0.219 255 G C 1.240 176.175 174.900 0.059 0.000 1.135 255 G CA 1.678 46.815 45.100 0.062 0.000 0.767 255 G HN -0.230 7.923 8.290 -0.070 0.096 0.550 256 L N 0.419 121.653 121.223 0.018 0.000 2.079 256 L HA -0.398 nan 4.340 nan 0.000 0.210 256 L C 2.694 179.578 176.870 0.024 0.000 1.081 256 L CA 2.647 57.501 54.840 0.023 0.000 0.752 256 L CB -0.556 41.503 42.059 0.001 0.000 0.896 256 L HN -0.494 7.626 8.230 -0.011 0.103 0.433 257 R N -2.971 117.535 120.500 0.009 0.000 2.127 257 R HA -0.233 nan 4.340 nan 0.000 0.238 257 R C 1.439 177.757 176.300 0.031 0.000 1.134 257 R CA 2.145 58.252 56.100 0.011 0.000 0.975 257 R CB -0.834 29.462 30.300 -0.007 0.000 0.865 257 R HN -0.418 7.822 8.270 -0.010 0.024 0.447 258 T N -5.773 108.813 114.554 0.054 0.000 3.092 258 T HA 0.372 nan 4.350 nan 0.000 0.258 258 T C 0.780 175.525 174.700 0.076 0.000 1.031 258 T CA -0.700 61.440 62.100 0.067 0.000 0.925 258 T CB 1.034 69.960 68.868 0.095 0.000 1.036 258 T HN -0.623 7.631 8.240 0.065 0.025 0.544 259 L N 2.676 123.943 121.223 0.074 0.000 2.042 259 L HA -0.327 nan 4.340 nan 0.000 0.210 259 L C 0.780 177.684 176.870 0.057 0.000 1.076 259 L CA 3.318 58.205 54.840 0.078 0.000 0.749 259 L CB -0.469 41.630 42.059 0.067 0.000 0.893 259 L HN -0.400 7.681 8.230 0.064 0.187 0.432 260 G N -2.817 106.009 108.800 0.044 0.000 2.433 260 G HA2 -0.410 nan 3.960 nan 0.000 0.216 260 G HA3 -0.410 nan 3.960 nan 0.000 0.216 260 G C 1.030 175.949 174.900 0.032 0.000 1.186 260 G CA 2.584 47.705 45.100 0.036 0.000 0.779 260 G HN 0.384 8.689 8.290 0.042 0.010 0.543 261 V N -2.063 117.867 119.914 0.027 0.000 2.490 261 V HA -0.255 nan 4.120 nan 0.000 0.250 261 V C 1.922 178.017 176.094 0.002 0.000 1.061 261 V CA 1.941 64.249 62.300 0.013 0.000 1.064 261 V CB -0.917 30.911 31.823 0.009 0.000 0.670 261 V HN -0.369 7.839 8.190 0.031 0.000 0.461 262 R N 0.454 120.971 120.500 0.028 0.000 2.062 262 R HA -0.278 nan 4.340 nan 0.000 0.231 262 R C 2.397 178.730 176.300 0.055 0.000 1.136 262 R CA 3.260 59.373 56.100 0.023 0.000 0.948 262 R CB -0.138 30.252 30.300 0.150 0.000 0.845 262 R HN -0.316 7.971 8.270 0.050 0.013 0.430 263 L N -1.106 120.179 121.223 0.103 0.000 2.079 263 L HA -0.422 nan 4.340 nan 0.000 0.210 263 L C 2.212 179.136 176.870 0.090 0.000 1.081 263 L CA 3.201 58.079 54.840 0.063 0.000 0.752 263 L CB -0.630 41.406 42.059 -0.038 0.000 0.896 263 L HN 0.369 8.646 8.230 0.079 0.000 0.433 264 R N -2.124 118.413 120.500 0.061 0.000 2.081 264 R HA -0.436 nan 4.340 nan 0.000 0.235 264 R C 2.343 178.662 176.300 0.032 0.000 1.131 264 R CA 3.808 59.943 56.100 0.058 0.000 0.960 264 R CB -0.469 29.843 30.300 0.020 0.000 0.856 264 R HN -0.393 7.893 8.270 0.041 0.008 0.436 265 Q N -1.148 118.631 119.800 -0.035 0.000 2.079 265 Q HA -0.232 nan 4.340 nan 0.000 0.200 265 Q C 2.654 178.617 176.000 -0.062 0.000 0.974 265 Q CA 2.690 58.441 55.803 -0.087 0.000 0.840 265 Q CB -0.659 27.975 28.738 -0.174 0.000 0.898 265 Q HN -0.450 7.788 8.270 -0.052 0.000 0.430 266 H N -0.372 118.729 119.070 0.052 0.000 2.353 266 H HA -0.280 nan 4.556 nan 0.000 0.300 266 H C 2.645 178.030 175.328 0.094 0.000 1.090 266 H CA 3.760 59.838 56.048 0.050 0.000 1.327 266 H CB -0.031 29.738 29.762 0.012 0.000 1.383 266 H HN -0.024 8.175 8.280 -0.135 0.000 0.508 267 H N 0.183 119.313 119.070 0.100 0.000 2.270 267 H HA -0.256 nan 4.556 nan 0.000 0.299 267 H C 2.067 177.429 175.328 0.056 0.000 1.077 267 H CA 2.767 58.866 56.048 0.085 0.000 1.294 267 H CB 0.140 29.954 29.762 0.088 0.000 1.371 267 H HN 0.178 8.622 8.280 0.272 0.000 0.491 268 E N -1.202 119.088 120.200 0.150 0.000 2.049 268 E HA -0.465 nan 4.350 nan 0.000 0.198 268 E C 2.538 179.169 176.600 0.051 0.000 1.007 268 E CA 3.381 59.796 56.400 0.025 0.000 0.809 268 E CB -0.067 29.616 29.700 -0.029 0.000 0.749 268 E HN -0.150 8.281 8.360 0.119 0.000 0.450 269 S N -0.926 114.810 115.700 0.061 0.000 2.368 269 S HA -0.295 nan 4.470 nan 0.000 0.224 269 S C 2.289 176.945 174.600 0.094 0.000 1.029 269 S CA 4.037 62.271 58.200 0.058 0.000 0.988 269 S CB -0.159 63.066 63.200 0.042 0.000 0.838 269 S HN 0.119 8.465 8.310 0.061 0.000 0.462 270 S N 2.656 118.442 115.700 0.143 0.000 2.383 270 S HA -0.263 nan 4.470 nan 0.000 0.227 270 S C 1.885 176.437 174.600 -0.080 0.000 1.026 270 S CA 3.470 61.766 58.200 0.160 0.000 0.981 270 S CB -0.007 63.371 63.200 0.296 0.000 0.818 270 S HN -0.350 8.061 8.310 0.168 0.000 0.472 271 L N 2.640 123.805 121.223 -0.097 0.000 2.093 271 L HA -0.270 nan 4.340 nan 0.000 0.208 271 L C 0.977 177.752 176.870 -0.159 0.000 1.085 271 L CA 2.781 57.450 54.840 -0.286 0.000 0.755 271 L CB -0.579 41.399 42.059 -0.135 0.000 0.904 271 L HN -0.292 7.967 8.230 0.048 0.000 0.435 272 K N -0.552 119.822 120.400 -0.045 0.000 2.057 272 K HA -0.236 nan 4.320 nan 0.000 0.206 272 K C 2.452 179.090 176.600 0.063 0.000 1.050 272 K CA 2.788 59.078 56.287 0.005 0.000 0.935 272 K CB -0.951 31.557 32.500 0.013 0.000 0.715 272 K HN -0.515 7.725 8.250 -0.016 0.000 0.439 273 V N 0.018 119.981 119.914 0.083 0.000 2.358 273 V HA -0.392 nan 4.120 nan 0.000 0.246 273 V C 2.012 178.235 176.094 0.216 0.000 1.047 273 V CA 4.022 66.451 62.300 0.215 0.000 1.035 273 V CB -1.048 30.969 31.823 0.324 0.000 0.658 273 V HN -0.124 8.101 8.190 0.059 0.000 0.452 274 A N -0.910 121.865 122.820 -0.074 0.000 1.877 274 A HA -0.374 nan 4.320 nan 0.000 0.216 274 A C 2.032 179.574 177.584 -0.070 0.000 1.186 274 A CA 3.660 55.575 52.037 -0.202 0.000 0.620 274 A CB -0.816 17.818 19.000 -0.611 0.000 0.822 274 A HN 0.445 8.300 8.150 -0.193 0.180 0.443 275 E N -1.527 118.635 120.200 -0.063 0.000 2.110 275 E HA -0.372 nan 4.350 nan 0.000 0.193 275 E C 2.230 178.864 176.600 0.057 0.000 0.988 275 E CA 2.541 58.925 56.400 -0.025 0.000 0.804 275 E CB -0.125 29.560 29.700 -0.024 0.000 0.745 275 E HN -0.213 8.089 8.360 -0.097 0.000 0.458 276 W N 0.223 121.504 121.300 -0.032 0.000 2.355 276 W HA -0.342 nan 4.660 nan 0.000 0.309 276 W C 2.275 178.803 176.519 0.014 0.000 1.206 276 W CA 3.721 61.071 57.345 0.008 0.000 1.284 276 W CB 0.065 29.548 29.460 0.039 0.000 1.145 276 W HN -0.509 7.840 8.180 0.282 0.000 0.502 277 L N -1.702 119.515 121.223 -0.009 0.000 2.079 277 L HA -0.516 nan 4.340 nan 0.000 0.210 277 L C 2.579 179.300 176.870 -0.248 0.000 1.081 277 L CA 2.799 57.478 54.840 -0.267 0.000 0.752 277 L CB -0.595 41.373 42.059 -0.152 0.000 0.896 277 L HN 0.050 8.439 8.230 0.264 0.000 0.433 278 A N -1.652 121.086 122.820 -0.138 0.000 1.978 278 A HA -0.314 nan 4.320 nan 0.000 0.220 278 A C 0.781 178.275 177.584 -0.150 0.000 1.170 278 A CA 2.720 54.688 52.037 -0.116 0.000 0.636 278 A CB -0.566 18.381 19.000 -0.089 0.000 0.810 278 A HN -0.024 7.987 8.150 -0.083 0.090 0.448 279 E N -2.946 117.135 120.200 -0.199 0.000 2.474 279 E HA 0.064 nan 4.350 nan 0.000 0.195 279 E C -0.194 176.221 176.600 -0.308 0.000 1.039 279 E CA -0.905 55.368 56.400 -0.211 0.000 0.881 279 E CB 0.093 29.694 29.700 -0.167 0.000 0.970 279 E HN -0.512 7.584 8.360 -0.218 0.133 0.486 280 H N 1.651 120.418 119.070 -0.505 0.000 2.646 280 H HA 0.163 nan 4.556 nan 0.000 0.325 280 H C -1.002 174.050 175.328 -0.461 0.000 1.075 280 H CA -1.182 54.491 56.048 -0.626 0.000 1.421 280 H CB 1.123 30.292 29.762 -0.988 0.000 1.461 280 H HN -0.519 7.378 8.280 -0.320 0.191 0.525 281 P HA -0.293 nan 4.420 nan 0.000 0.217 281 P C 0.590 177.734 177.300 -0.261 0.000 1.148 281 P CA 2.482 65.322 63.100 -0.433 0.000 0.828 281 P CB 0.404 31.817 31.700 -0.479 0.000 0.783 282 Q N -4.673 115.007 119.800 -0.199 0.000 2.403 282 Q HA 0.061 nan 4.340 nan 0.000 0.203 282 Q C -0.793 175.196 176.000 -0.018 0.000 0.932 282 Q CA 0.428 56.181 55.803 -0.084 0.000 0.945 282 Q CB 0.616 29.299 28.738 -0.092 0.000 1.045 282 Q HN -0.342 7.762 8.270 -0.229 0.029 0.511 283 V N -0.434 119.449 119.914 -0.052 0.000 2.394 283 V HA 0.119 nan 4.120 nan 0.000 0.282 283 V C -1.175 174.930 176.094 0.019 0.000 1.031 283 V CA -0.976 61.341 62.300 0.028 0.000 0.881 283 V CB -0.019 31.768 31.823 -0.060 0.000 0.982 283 V HN -0.481 7.474 8.190 -0.111 0.169 0.451 284 A N 8.642 131.502 122.820 0.068 0.000 1.903 284 A HA 0.077 nan 4.320 nan 0.000 0.213 284 A C -0.275 177.329 177.584 0.033 0.000 1.185 284 A CA 1.804 53.864 52.037 0.039 0.000 0.628 284 A CB 1.339 20.371 19.000 0.053 0.000 0.830 284 A HN 0.778 8.906 8.150 0.124 0.097 0.446 285 R N -2.651 117.886 120.500 0.062 0.000 2.664 285 R HA 0.150 nan 4.340 nan 0.000 0.266 285 R C -2.621 173.739 176.300 0.100 0.000 1.046 285 R CA -0.518 55.609 56.100 0.045 0.000 0.885 285 R CB 2.716 33.027 30.300 0.018 0.000 1.254 285 R HN -0.596 7.738 8.270 0.108 0.000 0.465 286 V N 2.526 122.492 119.914 0.087 0.000 2.409 286 V HA 0.466 nan 4.120 nan 0.000 0.291 286 V C -0.280 175.885 176.094 0.119 0.000 1.020 286 V CA -1.466 60.938 62.300 0.173 0.000 0.848 286 V CB 1.706 33.616 31.823 0.145 0.000 0.990 286 V HN 0.398 8.610 8.190 0.037 0.000 0.430 287 N N 8.757 127.548 118.700 0.152 0.000 2.918 287 N HA 0.179 nan 4.740 nan 0.000 0.247 287 N C -2.137 173.443 175.510 0.117 0.000 1.117 287 N CA -0.419 52.665 53.050 0.056 0.000 1.005 287 N CB 0.046 38.509 38.487 -0.040 0.000 1.297 287 N HN 0.676 9.086 8.380 0.226 0.105 0.513 288 H N 3.641 122.682 119.070 -0.050 0.000 2.823 288 H HA 0.354 nan 4.556 nan 0.000 0.332 288 H C -1.455 173.699 175.328 -0.289 0.000 0.980 288 H CA -3.368 52.590 56.048 -0.150 0.000 1.286 288 H CB 3.219 32.782 29.762 -0.332 0.000 1.541 288 H HN -0.736 7.582 8.280 0.064 0.000 0.521 289 P HA -0.342 nan 4.420 nan 0.000 0.217 289 P C -1.029 175.892 177.300 -0.632 0.000 1.151 289 P CA 2.348 65.135 63.100 -0.523 0.000 0.849 289 P CB 0.124 31.243 31.700 -0.968 0.000 0.787 290 A N -6.020 116.381 122.820 -0.698 0.000 2.206 290 A HA 0.021 nan 4.320 nan 0.000 0.211 290 A C -0.106 177.348 177.584 -0.217 0.000 1.158 290 A CA 0.202 51.711 52.037 -0.880 0.000 0.761 290 A CB 0.215 18.700 19.000 -0.860 0.000 0.801 290 A HN -0.332 7.727 8.150 -0.106 0.028 0.473 291 L N 0.296 121.386 121.223 -0.222 0.000 2.276 291 L HA 0.320 nan 4.340 nan 0.000 0.286 291 L C -2.283 174.265 176.870 -0.537 0.000 1.061 291 L CA -3.294 51.362 54.840 -0.308 0.000 0.807 291 L CB 0.860 42.776 42.059 -0.238 0.000 1.177 291 L HN -0.151 7.794 8.230 -0.165 0.186 0.429 292 P HA -0.018 nan 4.420 nan 0.000 0.267 292 P C -0.073 177.012 177.300 -0.359 0.000 1.200 292 P CA 0.777 63.402 63.100 -0.791 0.000 0.772 292 P CB 0.361 31.803 31.700 -0.431 0.000 0.855 293 G N 3.388 112.048 108.800 -0.233 0.000 2.241 293 G HA2 -0.306 nan 3.960 nan 0.000 0.244 293 G HA3 -0.306 nan 3.960 nan 0.000 0.244 293 G C -0.336 174.514 174.900 -0.083 0.000 0.998 293 G CA -0.159 44.870 45.100 -0.120 0.000 0.621 293 G HN 0.483 8.640 8.290 -0.223 0.000 0.519 294 S N 1.732 117.375 115.700 -0.095 0.000 2.576 294 S HA 0.023 nan 4.470 nan 0.000 0.276 294 S C 0.079 174.662 174.600 -0.028 0.000 1.339 294 S CA 0.039 58.207 58.200 -0.054 0.000 1.039 294 S CB 1.250 64.413 63.200 -0.061 0.000 0.902 294 S HN -0.456 7.665 8.310 -0.162 0.092 0.516 295 K N 4.670 125.051 120.400 -0.033 0.000 2.395 295 K HA -0.155 nan 4.320 nan 0.000 0.283 295 K C 0.499 177.091 176.600 -0.013 0.000 1.068 295 K CA 1.739 58.017 56.287 -0.015 0.000 1.039 295 K CB -0.185 32.316 32.500 0.002 0.000 0.924 295 K HN 0.539 8.765 8.250 -0.041 0.000 0.468 296 G N 5.876 114.655 108.800 -0.036 0.000 2.157 296 G HA2 -0.438 nan 3.960 nan 0.000 0.248 296 G HA3 -0.438 nan 3.960 nan 0.000 0.248 296 G C 0.517 175.346 174.900 -0.117 0.000 0.979 296 G CA 0.759 45.827 45.100 -0.053 0.000 0.650 296 G HN 0.709 8.956 8.290 -0.071 0.000 0.529 297 H N 2.665 121.643 119.070 -0.152 0.000 2.357 297 H HA -0.440 nan 4.556 nan 0.000 0.296 297 H C 0.696 176.039 175.328 0.026 0.000 1.108 297 H CA 4.511 60.531 56.048 -0.047 0.000 1.273 297 H CB 0.240 29.964 29.762 -0.063 0.000 1.367 297 H HN -0.297 7.944 8.280 0.015 0.049 0.498 298 E N -2.286 117.774 120.200 -0.233 0.000 2.204 298 E HA -0.279 nan 4.350 nan 0.000 0.194 298 E C 2.567 179.107 176.600 -0.100 0.000 0.989 298 E CA 2.822 59.092 56.400 -0.216 0.000 0.824 298 E CB -0.931 28.638 29.700 -0.219 0.000 0.756 298 E HN 0.456 8.652 8.360 -0.255 0.011 0.477 299 F N -0.208 119.782 119.950 0.067 0.000 2.163 299 F HA -0.189 nan 4.527 nan 0.000 0.297 299 F C 1.875 177.748 175.800 0.121 0.000 1.094 299 F CA 1.400 59.457 58.000 0.095 0.000 1.290 299 F CB -1.086 37.971 39.000 0.096 0.000 1.017 299 F HN -0.378 7.470 8.300 -0.540 0.128 0.483 300 W N -0.061 121.256 121.300 0.029 0.000 2.355 300 W HA -0.502 nan 4.660 nan 0.000 0.309 300 W C 1.704 178.238 176.519 0.025 0.000 1.206 300 W CA 4.430 61.699 57.345 -0.127 0.000 1.284 300 W CB 0.216 29.401 29.460 -0.459 0.000 1.145 300 W HN -0.037 8.286 8.180 0.239 0.000 0.502 301 K N -0.867 119.458 120.400 -0.125 0.000 2.074 301 K HA -0.417 nan 4.320 nan 0.000 0.209 301 K C 1.854 178.341 176.600 -0.189 0.000 1.048 301 K CA 3.220 59.336 56.287 -0.286 0.000 0.926 301 K CB -0.239 32.178 32.500 -0.140 0.000 0.713 301 K HN -0.219 8.050 8.250 0.033 0.000 0.444 302 R N -2.805 117.688 120.500 -0.012 0.000 2.100 302 R HA -0.128 nan 4.340 nan 0.000 0.220 302 R C 1.693 178.081 176.300 0.146 0.000 1.091 302 R CA 2.409 58.559 56.100 0.084 0.000 0.986 302 R CB 0.671 31.074 30.300 0.171 0.000 0.888 302 R HN -0.554 7.641 8.270 0.038 0.099 0.444 303 D N -3.130 117.406 120.400 0.227 0.000 2.338 303 D HA 0.028 nan 4.640 nan 0.000 0.208 303 D C 0.316 176.785 176.300 0.282 0.000 0.997 303 D CA 1.496 55.700 54.000 0.340 0.000 0.880 303 D CB 1.341 42.343 40.800 0.336 0.000 0.980 303 D HN -0.012 8.496 8.370 0.228 0.000 0.509 304 F N -1.187 118.696 119.950 -0.113 0.000 2.380 304 F HA 0.093 nan 4.527 nan 0.000 0.321 304 F C 1.310 176.986 175.800 -0.207 0.000 1.103 304 F CA -0.413 57.513 58.000 -0.124 0.000 1.067 304 F CB 1.580 40.369 39.000 -0.351 0.000 1.265 304 F HN -0.288 8.041 8.300 0.225 0.106 0.517 305 T N -3.225 111.410 114.554 0.135 0.000 3.044 305 T HA 0.359 nan 4.350 nan 0.000 0.260 305 T C -0.163 174.633 174.700 0.160 0.000 1.019 305 T CA -0.674 61.474 62.100 0.080 0.000 0.921 305 T CB 0.577 69.493 68.868 0.080 0.000 1.053 305 T HN 0.540 8.811 8.240 0.230 0.108 0.533 306 G N 1.418 110.382 108.800 0.274 0.000 2.340 306 G HA2 0.037 nan 3.960 nan 0.000 0.299 306 G HA3 0.037 nan 3.960 nan 0.000 0.299 306 G C -3.153 172.071 174.900 0.541 0.000 1.291 306 G CA 0.681 46.038 45.100 0.428 0.000 0.841 306 G HN -0.623 7.808 8.290 0.323 0.053 0.500 307 S N -1.953 113.776 115.700 0.048 0.000 2.569 307 S HA 0.411 nan 4.470 nan 0.000 0.280 307 S C -1.572 172.772 174.600 -0.428 0.000 1.111 307 S CA -2.430 55.680 58.200 -0.151 0.000 0.887 307 S CB 1.924 64.918 63.200 -0.343 0.000 1.095 307 S HN -0.008 8.253 8.310 -0.082 0.000 0.476 308 S N 2.186 117.356 115.700 -0.883 0.000 2.590 308 S HA 0.334 nan 4.470 nan 0.000 0.282 308 S C 0.025 174.423 174.600 -0.336 0.000 1.136 308 S CA -1.051 56.703 58.200 -0.743 0.000 1.030 308 S CB 2.677 65.208 63.200 -1.115 0.000 1.195 308 S HN -0.017 7.275 8.310 -1.697 0.000 0.506 309 G N -2.696 106.042 108.800 -0.102 0.000 3.337 309 G HA2 0.297 nan 3.960 nan 0.000 0.246 309 G HA3 0.297 nan 3.960 nan 0.000 0.246 309 G C -1.922 173.061 174.900 0.139 0.000 1.131 309 G CA -0.650 44.497 45.100 0.077 0.000 0.773 309 G HN 0.110 8.370 8.290 -0.050 0.000 0.544 310 L N 1.902 123.205 121.223 0.132 0.000 2.295 310 L HA 0.822 nan 4.340 nan 0.000 0.285 310 L C -2.425 174.590 176.870 0.241 0.000 1.035 310 L CA -0.180 54.720 54.840 0.101 0.000 0.806 310 L CB 1.403 43.301 42.059 -0.269 0.000 1.214 310 L HN -0.874 7.348 8.230 -0.013 0.000 0.426 311 F N 3.320 123.211 119.950 -0.098 0.000 2.877 311 F HA 0.787 nan 4.527 nan 0.000 0.319 311 F C -3.026 172.731 175.800 -0.072 0.000 1.174 311 F CA -1.491 56.422 58.000 -0.144 0.000 0.903 311 F CB 2.587 41.443 39.000 -0.240 0.000 1.357 311 F HN 0.657 8.853 8.300 -0.175 0.000 0.472 312 S N -2.334 113.304 115.700 -0.105 0.000 2.651 312 S HA 0.956 nan 4.470 nan 0.000 0.279 312 S C -1.917 172.726 174.600 0.071 0.000 1.148 312 S CA -1.480 56.586 58.200 -0.224 0.000 0.837 312 S CB 3.131 66.174 63.200 -0.261 0.000 1.138 312 S HN 0.220 8.636 8.310 0.177 0.000 0.478 313 F N -4.905 114.961 119.950 -0.140 0.000 2.645 313 F HA 0.852 nan 4.527 nan 0.000 0.310 313 F C -2.549 173.174 175.800 -0.128 0.000 1.102 313 F CA -1.577 56.388 58.000 -0.058 0.000 0.952 313 F CB 2.695 41.732 39.000 0.062 0.000 1.326 313 F HN 0.313 8.285 8.300 -0.546 0.000 0.456 314 V N 0.025 119.946 119.914 0.012 0.000 2.459 314 V HA 0.683 nan 4.120 nan 0.000 0.295 314 V C -0.809 175.348 176.094 0.105 0.000 1.029 314 V CA -1.579 60.660 62.300 -0.101 0.000 0.874 314 V CB 0.828 32.560 31.823 -0.152 0.000 0.985 314 V HN 0.845 9.022 8.190 0.157 0.108 0.438 315 L N 5.842 127.099 121.223 0.058 0.000 2.439 315 L HA 0.012 nan 4.340 nan 0.000 0.261 315 L C -0.446 176.467 176.870 0.072 0.000 1.153 315 L CA 0.201 55.114 54.840 0.122 0.000 0.808 315 L CB 0.525 42.619 42.059 0.059 0.000 1.126 315 L HN 0.478 8.674 8.230 -0.056 0.000 0.460 316 K N -1.121 119.315 120.400 0.060 0.000 2.211 316 K HA -0.270 nan 4.320 nan 0.000 0.203 316 K C 0.380 176.993 176.600 0.022 0.000 1.050 316 K CA 1.960 58.266 56.287 0.033 0.000 0.945 316 K CB 0.192 32.697 32.500 0.009 0.000 0.732 316 K HN -0.128 8.164 8.250 0.070 0.000 0.451 317 K N -1.386 119.024 120.400 0.016 0.000 2.221 317 K HA 0.233 nan 4.320 nan 0.000 0.243 317 K C -2.036 174.560 176.600 -0.006 0.000 0.968 317 K CA -1.599 54.689 56.287 0.002 0.000 0.846 317 K CB 1.889 34.386 32.500 -0.005 0.000 1.141 317 K HN -0.340 7.893 8.250 0.022 0.030 0.434 318 K N 2.754 123.147 120.400 -0.013 0.000 2.292 318 K HA 0.326 nan 4.320 nan 0.000 0.270 318 K C -0.698 175.883 176.600 -0.031 0.000 1.062 318 K CA -1.215 55.058 56.287 -0.024 0.000 0.916 318 K CB -0.011 32.471 32.500 -0.031 0.000 1.166 318 K HN 0.153 8.396 8.250 -0.013 0.000 0.458 319 L N 6.773 127.971 121.223 -0.041 0.000 2.461 319 L HA 0.007 nan 4.340 nan 0.000 0.272 319 L C -0.536 176.321 176.870 -0.021 0.000 1.197 319 L CA 0.064 54.883 54.840 -0.035 0.000 0.836 319 L CB 0.238 42.267 42.059 -0.050 0.000 1.105 319 L HN 0.110 8.310 8.230 -0.050 0.000 0.477 320 N N 0.981 119.676 118.700 -0.009 0.000 2.491 320 N HA 0.010 nan 4.740 nan 0.000 0.279 320 N C 0.429 175.947 175.510 0.012 0.000 1.236 320 N CA -1.016 52.032 53.050 -0.002 0.000 0.982 320 N CB 0.904 39.391 38.487 -0.000 0.000 1.194 320 N HN -0.014 8.659 8.380 -0.007 -0.297 0.582 321 N N -0.520 118.190 118.700 0.018 0.000 2.094 321 N HA -0.427 nan 4.740 nan 0.000 0.191 321 N C 2.120 177.650 175.510 0.034 0.000 1.023 321 N CA 3.935 57.002 53.050 0.030 0.000 0.857 321 N CB -0.602 37.902 38.487 0.028 0.000 1.013 321 N HN 0.466 8.854 8.380 0.013 0.000 0.426 322 E N -0.228 119.989 120.200 0.027 0.000 2.047 322 E HA -0.247 nan 4.350 nan 0.000 0.191 322 E C 2.204 178.828 176.600 0.040 0.000 0.987 322 E CA 2.705 59.122 56.400 0.030 0.000 0.799 322 E CB -0.880 28.833 29.700 0.022 0.000 0.752 322 E HN -0.122 8.386 8.360 0.021 -0.136 0.449 323 E N 0.368 120.589 120.200 0.035 0.000 2.110 323 E HA -0.318 nan 4.350 nan 0.000 0.193 323 E C 2.641 179.288 176.600 0.079 0.000 0.988 323 E CA 2.391 58.818 56.400 0.043 0.000 0.804 323 E CB 0.053 29.762 29.700 0.016 0.000 0.745 323 E HN -0.192 8.549 8.360 0.025 -0.366 0.458 324 L N -0.537 120.730 121.223 0.072 0.000 1.994 324 L HA -0.365 nan 4.340 nan 0.000 0.208 324 L C 1.461 178.418 176.870 0.144 0.000 1.071 324 L CA 3.186 58.095 54.840 0.115 0.000 0.745 324 L CB -0.598 41.509 42.059 0.080 0.000 0.892 324 L HN 0.193 8.452 8.230 0.049 0.000 0.431 325 A N -2.003 120.873 122.820 0.093 0.000 1.883 325 A HA -0.462 nan 4.320 nan 0.000 0.217 325 A C 2.099 179.729 177.584 0.076 0.000 1.186 325 A CA 3.311 55.394 52.037 0.075 0.000 0.624 325 A CB -1.042 17.988 19.000 0.050 0.000 0.822 325 A HN -0.150 8.044 8.150 0.074 0.000 0.444 326 N N -1.420 117.326 118.700 0.076 0.000 2.149 326 N HA -0.334 nan 4.740 nan 0.000 0.188 326 N C 1.916 177.468 175.510 0.070 0.000 1.019 326 N CA 3.282 56.367 53.050 0.058 0.000 0.857 326 N CB 0.351 38.871 38.487 0.055 0.000 0.997 326 N HN -0.466 7.958 8.380 0.074 0.000 0.426 327 Y N 1.159 121.448 120.300 -0.018 0.000 2.114 327 Y HA -0.291 nan 4.550 nan 0.000 0.284 327 Y C 1.923 177.842 175.900 0.032 0.000 1.119 327 Y CA 3.591 61.670 58.100 -0.035 0.000 1.108 327 Y CB 0.294 38.776 38.460 0.035 0.000 0.995 327 Y HN -0.230 8.186 8.280 0.242 0.009 0.491 328 L N -2.241 119.055 121.223 0.122 0.000 2.056 328 L HA -0.448 nan 4.340 nan 0.000 0.207 328 L C 2.620 179.560 176.870 0.117 0.000 1.078 328 L CA 3.003 57.919 54.840 0.127 0.000 0.749 328 L CB -0.565 41.562 42.059 0.114 0.000 0.901 328 L HN 0.235 8.618 8.230 0.257 0.000 0.433 329 D N -1.175 119.257 120.400 0.053 0.000 2.263 329 D HA -0.179 nan 4.640 nan 0.000 0.208 329 D C 0.962 177.265 176.300 0.005 0.000 0.971 329 D CA 2.590 56.609 54.000 0.032 0.000 0.867 329 D CB -0.483 40.330 40.800 0.022 0.000 0.929 329 D HN 0.224 8.523 8.370 0.056 0.105 0.492 330 N N -1.914 116.743 118.700 -0.072 0.000 2.251 330 N HA 0.052 nan 4.740 nan 0.000 0.217 330 N C -1.005 174.387 175.510 -0.197 0.000 1.124 330 N CA 0.022 52.994 53.050 -0.129 0.000 0.843 330 N CB 0.771 39.165 38.487 -0.154 0.000 1.024 330 N HN -0.709 7.560 8.380 -0.113 0.043 0.501 331 F N 0.856 120.752 119.950 -0.090 0.000 2.429 331 F HA -0.038 nan 4.527 nan 0.000 0.348 331 F C 0.900 176.697 175.800 -0.005 0.000 1.109 331 F CA 0.917 58.881 58.000 -0.059 0.000 1.232 331 F CB 0.743 39.703 39.000 -0.066 0.000 1.157 331 F HN -0.736 7.586 8.300 0.126 0.054 0.564 332 S N 4.497 120.319 115.700 0.204 0.000 2.483 332 S HA 0.052 nan 4.470 nan 0.000 0.221 332 S C 0.559 175.225 174.600 0.111 0.000 1.030 332 S CA 2.028 60.300 58.200 0.119 0.000 0.925 332 S CB 1.409 64.648 63.200 0.065 0.000 0.795 332 S HN 0.432 9.254 8.310 0.219 -0.381 0.511 333 L N -0.463 120.851 121.223 0.151 0.000 2.445 333 L HA 0.060 nan 4.340 nan 0.000 0.207 333 L C -0.053 176.776 176.870 -0.069 0.000 1.053 333 L CA 0.917 55.764 54.840 0.012 0.000 0.841 333 L CB 1.329 43.349 42.059 -0.065 0.000 1.074 333 L HN -0.571 8.271 8.230 0.269 -0.450 0.479 334 F N -0.986 118.947 119.950 -0.028 0.000 2.427 334 F HA -0.129 nan 4.527 nan 0.000 0.352 334 F C -0.597 175.125 175.800 -0.129 0.000 1.100 334 F CA 1.213 59.115 58.000 -0.164 0.000 1.191 334 F CB 0.784 39.494 39.000 -0.484 0.000 1.128 334 F HN -0.728 8.081 8.300 0.432 -0.249 0.533 335 S N 3.137 118.860 115.700 0.039 0.000 2.621 335 S HA 0.315 nan 4.470 nan 0.000 0.302 335 S C -1.317 173.258 174.600 -0.041 0.000 1.093 335 S CA -1.212 56.988 58.200 0.000 0.000 1.017 335 S CB 2.609 65.797 63.200 -0.019 0.000 1.077 335 S HN 0.184 8.507 8.310 0.021 0.000 0.517 336 M N 2.810 122.371 119.600 -0.065 0.000 2.157 336 M HA 0.227 nan 4.480 nan 0.000 0.354 336 M C -1.184 175.019 176.300 -0.162 0.000 1.170 336 M CA 0.379 55.606 55.300 -0.122 0.000 1.060 336 M CB 0.857 33.389 32.600 -0.115 0.000 1.615 336 M HN 0.378 8.642 8.290 -0.042 0.000 0.460 337 A N 4.320 127.003 122.820 -0.229 0.000 2.583 337 A HA 0.193 nan 4.320 nan 0.000 0.292 337 A C -2.736 174.675 177.584 -0.289 0.000 1.045 337 A CA -0.267 51.615 52.037 -0.257 0.000 0.672 337 A CB 2.168 21.098 19.000 -0.116 0.000 1.283 337 A HN 0.221 8.236 8.150 -0.225 0.000 0.419 338 Y N -0.146 120.167 120.300 0.023 0.000 2.326 338 Y HA 0.207 nan 4.550 nan 0.000 0.324 338 Y C 0.308 176.231 175.900 0.038 0.000 1.291 338 Y CA -0.628 57.506 58.100 0.056 0.000 1.348 338 Y CB 0.767 39.259 38.460 0.053 0.000 1.294 338 Y HN 0.135 8.350 8.280 -0.108 0.000 0.525 339 S N -1.044 114.822 115.700 0.276 0.000 3.998 339 S HA -0.158 nan 4.470 nan 0.000 0.668 339 S C -2.340 172.313 174.600 0.089 0.000 1.288 339 S CA 0.428 58.636 58.200 0.013 0.000 1.411 339 S CB 0.181 63.312 63.200 -0.116 0.000 0.368 339 S HN 0.255 8.823 8.310 0.430 0.000 1.206 340 W N -3.449 117.654 121.300 -0.328 0.000 2.743 340 W HA 0.065 nan 4.660 nan 0.000 0.434 340 W C -1.073 174.916 176.519 -0.884 0.000 1.048 340 W CA -0.185 56.775 57.345 -0.642 0.000 1.170 340 W CB -0.115 29.042 29.460 -0.505 0.000 1.466 340 W HN -0.202 7.583 8.180 -0.658 0.000 0.596 341 G N -1.470 106.646 108.800 -1.140 0.000 2.157 341 G HA2 -0.413 nan 3.960 nan 0.000 0.248 341 G HA3 -0.413 nan 3.960 nan 0.000 0.248 341 G C -1.130 173.344 174.900 -0.711 0.000 0.979 341 G CA 0.433 44.689 45.100 -1.407 0.000 0.650 341 G HN -0.022 7.083 8.290 -1.975 0.000 0.529 342 G N -1.022 107.461 108.800 -0.528 0.000 2.531 342 G HA2 0.108 nan 3.960 nan 0.000 0.281 342 G HA3 0.108 nan 3.960 nan 0.000 0.281 342 G C -0.222 174.679 174.900 0.003 0.000 1.382 342 G CA -1.720 43.208 45.100 -0.287 0.000 1.045 342 G HN -0.561 7.239 8.290 -0.732 0.051 0.533 343 Y N -7.065 113.260 120.300 0.041 0.000 2.544 343 Y HA 0.007 nan 4.550 nan 0.000 0.286 343 Y C -0.862 175.107 175.900 0.117 0.000 1.141 343 Y CA -0.323 57.834 58.100 0.094 0.000 1.299 343 Y CB 0.127 38.569 38.460 -0.029 0.000 1.030 343 Y HN -0.062 7.808 8.280 -0.683 0.000 0.543 344 E N -0.011 120.121 120.200 -0.114 0.000 2.222 344 E HA 0.326 nan 4.350 nan 0.000 0.267 344 E C -1.381 175.247 176.600 0.047 0.000 0.963 344 E CA -2.379 54.010 56.400 -0.018 0.000 0.837 344 E CB 1.662 31.292 29.700 -0.116 0.000 1.183 344 E HN -0.577 7.464 8.360 -0.448 0.050 0.403 345 S N 0.812 116.458 115.700 -0.090 0.000 2.545 345 S HA 0.512 nan 4.470 nan 0.000 0.275 345 S C -0.726 173.841 174.600 -0.055 0.000 1.299 345 S CA 0.256 58.348 58.200 -0.180 0.000 1.048 345 S CB 0.569 63.297 63.200 -0.786 0.000 0.938 345 S HN 0.142 8.668 8.310 -0.157 -0.310 0.496 346 L N 3.231 124.547 121.223 0.155 0.000 2.333 346 L HA 0.975 nan 4.340 nan 0.000 0.263 346 L C -1.884 175.080 176.870 0.157 0.000 1.014 346 L CA -1.399 53.521 54.840 0.134 0.000 0.820 346 L CB 4.104 46.210 42.059 0.079 0.000 1.352 346 L HN 0.406 8.773 8.230 0.229 0.000 0.421 347 I N -0.297 120.260 120.570 -0.021 0.000 2.656 347 I HA 0.737 nan 4.170 nan 0.000 0.292 347 I C -2.407 173.604 176.117 -0.177 0.000 1.144 347 I CA -1.209 59.974 61.300 -0.194 0.000 1.038 347 I CB 3.398 41.090 38.000 -0.513 0.000 1.244 347 I HN 0.459 8.642 8.210 -0.045 0.000 0.420 348 L N 5.998 127.121 121.223 -0.167 0.000 2.472 348 L HA 0.448 nan 4.340 nan 0.000 0.260 348 L C -2.103 174.705 176.870 -0.102 0.000 0.963 348 L CA -0.779 53.991 54.840 -0.116 0.000 0.829 348 L CB 4.929 46.944 42.059 -0.073 0.000 1.348 348 L HN 0.152 8.265 8.230 -0.196 0.000 0.408 349 A N 1.244 124.040 122.820 -0.040 0.000 2.337 349 A HA 0.762 nan 4.320 nan 0.000 0.329 349 A C -0.999 176.608 177.584 0.040 0.000 1.146 349 A CA -1.391 50.631 52.037 -0.025 0.000 0.800 349 A CB 1.889 20.904 19.000 0.025 0.000 1.220 349 A HN 0.246 8.385 8.150 -0.018 0.000 0.472 350 N N 0.565 119.282 118.700 0.028 0.000 2.260 350 N HA 0.334 nan 4.740 nan 0.000 0.293 350 N C -1.419 174.112 175.510 0.036 0.000 1.058 350 N CA -0.536 52.591 53.050 0.128 0.000 0.824 350 N CB 4.242 42.799 38.487 0.118 0.000 1.551 350 N HN 0.529 8.884 8.380 -0.042 0.000 0.475 351 Q N 1.624 121.335 119.800 -0.147 0.000 2.260 351 Q HA 0.461 nan 4.340 nan 0.000 0.242 351 Q C -0.838 175.062 176.000 -0.166 0.000 0.932 351 Q CA -2.338 53.293 55.803 -0.287 0.000 0.891 351 Q CB -0.605 27.759 28.738 -0.623 0.000 1.222 351 Q HN -0.318 7.860 8.270 -0.153 0.000 0.453 352 P HA -0.310 nan 4.420 nan 0.000 0.216 352 P C 0.430 177.605 177.300 -0.209 0.000 1.157 352 P CA 3.194 66.150 63.100 -0.240 0.000 0.880 352 P CB -0.196 31.290 31.700 -0.358 0.000 0.791 353 E N -2.566 117.516 120.200 -0.196 0.000 2.204 353 E HA -0.335 nan 4.350 nan 0.000 0.195 353 E C 1.940 178.544 176.600 0.006 0.000 0.990 353 E CA 2.681 59.012 56.400 -0.115 0.000 0.821 353 E CB -1.829 27.812 29.700 -0.099 0.000 0.750 353 E HN 0.572 8.790 8.360 -0.228 0.005 0.477 354 H N 0.909 119.959 119.070 -0.035 0.000 2.326 354 H HA -0.204 nan 4.556 nan 0.000 0.301 354 H C 2.762 178.071 175.328 -0.031 0.000 1.081 354 H CA 1.811 57.844 56.048 -0.025 0.000 1.334 354 H CB 0.309 30.070 29.762 -0.002 0.000 1.385 354 H HN -0.424 7.594 8.280 -0.179 0.155 0.504 355 I N -1.589 119.055 120.570 0.124 0.000 2.226 355 I HA -0.419 nan 4.170 nan 0.000 0.245 355 I C 2.409 178.522 176.117 -0.006 0.000 1.100 355 I CA 1.854 63.200 61.300 0.077 0.000 1.374 355 I CB -1.473 36.639 38.000 0.187 0.000 1.057 355 I HN -0.501 7.783 8.210 0.123 0.000 0.413 356 A N -0.348 122.439 122.820 -0.056 0.000 1.940 356 A HA -0.317 nan 4.320 nan 0.000 0.219 356 A C 2.117 179.653 177.584 -0.080 0.000 1.176 356 A CA 3.119 55.102 52.037 -0.089 0.000 0.631 356 A CB -0.975 17.955 19.000 -0.118 0.000 0.814 356 A HN 0.398 8.504 8.150 -0.072 0.000 0.446 357 A N -1.898 120.887 122.820 -0.057 0.000 2.067 357 A HA -0.144 nan 4.320 nan 0.000 0.219 357 A C 0.791 178.306 177.584 -0.114 0.000 1.158 357 A CA 2.251 54.245 52.037 -0.070 0.000 0.661 357 A CB -0.065 18.912 19.000 -0.039 0.000 0.801 357 A HN -0.399 7.719 8.150 -0.029 0.015 0.452 358 I N -8.008 112.494 120.570 -0.114 0.000 3.816 358 I HA 0.235 nan 4.170 nan 0.000 0.334 358 I C -0.827 175.167 176.117 -0.205 0.000 1.551 358 I CA -0.674 60.524 61.300 -0.170 0.000 1.153 358 I CB 0.745 38.664 38.000 -0.135 0.000 1.197 358 I HN -0.503 7.500 8.210 -0.075 0.161 0.439 359 R N 1.399 121.782 120.500 -0.193 0.000 2.651 359 R HA 0.517 nan 4.340 nan 0.000 0.282 359 R C -2.596 173.564 176.300 -0.233 0.000 1.565 359 R CA -3.962 52.025 56.100 -0.188 0.000 1.661 359 R CB -0.386 29.856 30.300 -0.096 0.000 1.189 359 R HN -0.543 7.554 8.270 -0.166 0.073 0.621 360 P HA -0.093 nan 4.420 nan 0.000 0.264 360 P C -1.132 176.058 177.300 -0.184 0.000 1.193 360 P CA 0.340 63.162 63.100 -0.463 0.000 0.763 360 P CB 0.332 31.275 31.700 -1.262 0.000 0.810 361 Q N -0.731 119.048 119.800 -0.035 0.000 2.457 361 Q HA -0.347 nan 4.340 nan 0.000 0.283 361 Q C -0.747 175.295 176.000 0.069 0.000 1.234 361 Q CA 1.253 57.105 55.803 0.082 0.000 0.877 361 Q CB -2.083 26.787 28.738 0.221 0.000 1.250 361 Q HN 0.418 8.655 8.270 -0.054 0.000 0.481 362 G N -4.530 104.278 108.800 0.012 0.000 2.684 362 G HA2 0.326 nan 3.960 nan 0.000 0.290 362 G HA3 0.326 nan 3.960 nan 0.000 0.290 362 G C -2.342 172.554 174.900 -0.007 0.000 1.425 362 G CA -0.155 44.956 45.100 0.018 0.000 0.822 362 G HN -0.796 7.462 8.290 -0.026 0.017 0.482 363 E N -1.256 118.945 120.200 0.002 0.000 2.238 363 E HA 0.395 nan 4.350 nan 0.000 0.267 363 E C -0.775 175.812 176.600 -0.022 0.000 0.887 363 E CA -1.199 55.188 56.400 -0.021 0.000 0.769 363 E CB 1.669 31.363 29.700 -0.010 0.000 1.187 363 E HN 0.205 8.578 8.360 0.022 0.000 0.416 364 I N -2.147 118.381 120.570 -0.070 0.000 2.886 364 I HA 0.188 nan 4.170 nan 0.000 0.299 364 I C -0.413 175.669 176.117 -0.058 0.000 1.044 364 I CA -0.465 60.794 61.300 -0.068 0.000 1.310 364 I CB 0.876 38.726 38.000 -0.250 0.000 1.441 364 I HN 0.043 8.190 8.210 -0.105 0.000 0.578 365 D N -0.650 119.797 120.400 0.078 0.000 2.670 365 D HA 0.051 nan 4.640 nan 0.000 0.255 365 D C -1.119 175.298 176.300 0.195 0.000 1.286 365 D CA -0.541 53.520 54.000 0.102 0.000 0.830 365 D CB -0.275 40.597 40.800 0.120 0.000 1.065 365 D HN 0.190 8.700 8.370 0.233 0.000 0.486 366 F N -4.848 115.087 119.950 -0.025 0.000 2.686 366 F HA 0.418 nan 4.527 nan 0.000 0.311 366 F C -1.200 174.579 175.800 -0.036 0.000 1.128 366 F CA -0.961 57.022 58.000 -0.028 0.000 0.946 366 F CB 2.107 41.089 39.000 -0.031 0.000 1.336 366 F HN -0.826 7.247 8.300 -0.377 0.000 0.457 367 S N -0.105 115.617 115.700 0.035 0.000 2.649 367 S HA 0.051 nan 4.470 nan 0.000 0.246 367 S C 0.131 174.755 174.600 0.040 0.000 1.057 367 S CA 0.202 58.363 58.200 -0.066 0.000 1.051 367 S CB 1.555 64.724 63.200 -0.051 0.000 1.018 367 S HN 0.317 8.740 8.310 0.187 0.000 0.569 368 G N 2.208 111.115 108.800 0.179 0.000 2.522 368 G HA2 0.101 nan 3.960 nan 0.000 0.304 368 G HA3 0.101 nan 3.960 nan 0.000 0.304 368 G C -0.466 174.525 174.900 0.151 0.000 1.210 368 G CA -0.773 44.399 45.100 0.120 0.000 0.960 368 G HN -0.601 7.857 8.290 0.279 0.000 0.497 369 T N 2.263 116.838 114.554 0.034 0.000 2.888 369 T HA -0.048 nan 4.350 nan 0.000 0.301 369 T C -0.988 173.651 174.700 -0.101 0.000 1.001 369 T CA 2.174 64.263 62.100 -0.017 0.000 1.147 369 T CB 0.364 69.189 68.868 -0.072 0.000 0.931 369 T HN -0.160 8.083 8.240 0.005 0.000 0.541 370 L N 6.576 127.723 121.223 -0.127 0.000 2.295 370 L HA 0.914 nan 4.340 nan 0.000 0.285 370 L C -2.210 174.436 176.870 -0.373 0.000 1.035 370 L CA -1.119 53.523 54.840 -0.331 0.000 0.806 370 L CB 2.275 44.103 42.059 -0.385 0.000 1.214 370 L HN 0.490 8.703 8.230 -0.028 0.000 0.426 371 I N 5.315 125.493 120.570 -0.653 0.000 2.389 371 I HA 0.587 nan 4.170 nan 0.000 0.288 371 I C -2.116 173.646 176.117 -0.591 0.000 0.999 371 I CA -2.115 58.798 61.300 -0.645 0.000 1.129 371 I CB 0.595 38.006 38.000 -0.982 0.000 1.288 371 I HN 0.804 8.486 8.210 -0.880 0.000 0.444 372 R N 7.204 127.481 120.500 -0.372 0.000 2.294 372 R HA 0.727 nan 4.340 nan 0.000 0.319 372 R C -1.939 174.169 176.300 -0.320 0.000 0.984 372 R CA -1.354 54.544 56.100 -0.336 0.000 0.861 372 R CB 1.983 32.146 30.300 -0.228 0.000 1.104 372 R HN 0.857 8.955 8.270 -0.287 0.000 0.451 373 L N 5.078 126.050 121.223 -0.418 0.000 2.346 373 L HA 0.591 nan 4.340 nan 0.000 0.276 373 L C -2.089 174.692 176.870 -0.149 0.000 1.006 373 L CA -1.439 53.224 54.840 -0.293 0.000 0.817 373 L CB 3.145 44.965 42.059 -0.398 0.000 1.272 373 L HN 0.845 8.728 8.230 -0.577 0.000 0.421 374 H N 4.477 123.542 119.070 -0.009 0.000 2.551 374 H HA 0.451 nan 4.556 nan 0.000 0.321 374 H C -1.257 174.165 175.328 0.156 0.000 1.028 374 H CA -2.016 54.060 56.048 0.047 0.000 1.215 374 H CB 2.445 32.228 29.762 0.037 0.000 1.414 374 H HN 0.536 8.914 8.280 0.162 0.000 0.480 375 I N 8.835 129.199 120.570 -0.342 0.000 2.301 375 I HA 0.130 nan 4.170 nan 0.000 0.292 375 I C -0.648 175.354 176.117 -0.191 0.000 1.046 375 I CA -2.031 59.199 61.300 -0.117 0.000 1.282 375 I CB -1.802 36.288 38.000 0.151 0.000 1.409 375 I HN 0.341 8.385 8.210 -0.277 0.000 0.484 376 G N 6.984 115.741 108.800 -0.073 0.000 2.624 376 G HA2 0.427 nan 3.960 nan 0.000 0.217 376 G HA3 0.427 nan 3.960 nan 0.000 0.217 376 G C 0.079 175.023 174.900 0.074 0.000 1.506 376 G CA -1.086 44.111 45.100 0.160 0.000 1.072 376 G HN 0.382 8.593 8.290 -0.131 0.000 0.568 377 L N -1.440 119.821 121.223 0.063 0.000 2.628 377 L HA 0.074 nan 4.340 nan 0.000 0.229 377 L C 0.306 177.161 176.870 -0.025 0.000 1.137 377 L CA -0.189 54.634 54.840 -0.028 0.000 0.909 377 L CB -0.234 41.819 42.059 -0.010 0.000 1.137 377 L HN 0.286 8.499 8.230 0.146 0.105 0.470 378 E N -1.450 118.731 120.200 -0.030 0.000 2.391 378 E HA -0.057 nan 4.350 nan 0.000 0.255 378 E C -0.927 175.642 176.600 -0.053 0.000 1.187 378 E CA -0.008 56.364 56.400 -0.047 0.000 0.941 378 E CB 0.592 30.240 29.700 -0.085 0.000 1.010 378 E HN -0.487 7.783 8.360 -0.033 0.070 0.458 379 D N 0.070 120.441 120.400 -0.047 0.000 2.450 379 D HA -0.109 nan 4.640 nan 0.000 0.247 379 D C 1.503 177.774 176.300 -0.048 0.000 1.162 379 D CA 0.754 54.728 54.000 -0.043 0.000 0.879 379 D CB 1.108 41.886 40.800 -0.037 0.000 1.163 379 D HN 0.161 8.504 8.370 -0.045 0.000 0.472 380 V N 7.273 127.162 119.914 -0.041 0.000 2.380 380 V HA -0.383 nan 4.120 nan 0.000 0.251 380 V C 0.984 177.039 176.094 -0.064 0.000 1.063 380 V CA 2.968 65.245 62.300 -0.038 0.000 1.055 380 V CB 0.066 31.875 31.823 -0.023 0.000 0.657 380 V HN 0.667 8.835 8.190 -0.037 0.000 0.455 381 D N -1.940 118.420 120.400 -0.068 0.000 2.178 381 D HA -0.221 nan 4.640 nan 0.000 0.202 381 D C 2.350 178.600 176.300 -0.083 0.000 0.974 381 D CA 3.669 57.615 54.000 -0.091 0.000 0.841 381 D CB -0.846 39.914 40.800 -0.067 0.000 0.953 381 D HN -0.232 8.266 8.370 -0.054 -0.161 0.478 382 D N 0.684 121.051 120.400 -0.056 0.000 2.149 382 D HA -0.113 nan 4.640 nan 0.000 0.201 382 D C 2.413 178.702 176.300 -0.020 0.000 0.972 382 D CA 2.844 56.822 54.000 -0.037 0.000 0.835 382 D CB -0.099 40.681 40.800 -0.034 0.000 0.966 382 D HN -0.496 7.859 8.370 -0.052 -0.016 0.476 383 L N -0.278 120.928 121.223 -0.027 0.000 2.027 383 L HA -0.341 nan 4.340 nan 0.000 0.206 383 L C 2.061 178.988 176.870 0.096 0.000 1.074 383 L CA 3.244 58.120 54.840 0.059 0.000 0.745 383 L CB -0.105 41.965 42.059 0.019 0.000 0.898 383 L HN -0.531 7.582 8.230 -0.049 0.088 0.433 384 I N -1.490 119.008 120.570 -0.119 0.000 2.286 384 I HA -0.602 nan 4.170 nan 0.000 0.248 384 I C 1.541 177.445 176.117 -0.354 0.000 1.115 384 I CA 4.093 65.122 61.300 -0.451 0.000 1.392 384 I CB -0.477 37.074 38.000 -0.749 0.000 1.065 384 I HN 0.201 8.338 8.210 -0.122 0.000 0.418 385 A N -0.509 122.213 122.820 -0.163 0.000 1.902 385 A HA -0.428 nan 4.320 nan 0.000 0.217 385 A C 1.759 179.359 177.584 0.026 0.000 1.181 385 A CA 3.532 55.535 52.037 -0.057 0.000 0.623 385 A CB -1.177 17.806 19.000 -0.028 0.000 0.818 385 A HN -0.277 7.782 8.150 -0.141 0.006 0.443 386 D N -0.969 119.487 120.400 0.093 0.000 2.117 386 D HA -0.228 nan 4.640 nan 0.000 0.197 386 D C 2.292 178.715 176.300 0.206 0.000 0.987 386 D CA 2.869 56.985 54.000 0.193 0.000 0.829 386 D CB -0.019 41.013 40.800 0.385 0.000 0.961 386 D HN -0.616 7.807 8.370 0.088 0.000 0.460 387 L N -1.189 120.157 121.223 0.204 0.000 2.046 387 L HA -0.439 nan 4.340 nan 0.000 0.208 387 L C 1.990 178.913 176.870 0.088 0.000 1.077 387 L CA 3.124 58.039 54.840 0.124 0.000 0.747 387 L CB -0.168 41.939 42.059 0.081 0.000 0.896 387 L HN -0.317 8.023 8.230 0.183 0.000 0.432 388 D N -0.881 119.674 120.400 0.260 0.000 2.104 388 D HA -0.338 nan 4.640 nan 0.000 0.194 388 D C 2.006 178.476 176.300 0.283 0.000 0.994 388 D CA 3.418 57.713 54.000 0.492 0.000 0.830 388 D CB -0.089 40.949 40.800 0.397 0.000 0.959 388 D HN 0.110 8.542 8.370 0.103 0.000 0.452 389 A N -2.146 120.740 122.820 0.110 0.000 1.972 389 A HA -0.192 nan 4.320 nan 0.000 0.219 389 A C 2.311 179.859 177.584 -0.060 0.000 1.169 389 A CA 2.745 54.797 52.037 0.023 0.000 0.635 389 A CB -0.651 18.324 19.000 -0.042 0.000 0.810 389 A HN -0.102 8.100 8.150 0.086 0.000 0.446 390 G N -1.345 107.341 108.800 -0.189 0.000 2.402 390 G HA2 -0.242 nan 3.960 nan 0.000 0.216 390 G HA3 -0.242 nan 3.960 nan 0.000 0.216 390 G C 1.903 176.887 174.900 0.140 0.000 1.162 390 G CA 1.637 46.562 45.100 -0.292 0.000 0.777 390 G HN -0.434 7.633 8.290 -0.153 0.130 0.539 391 F N 2.123 122.215 119.950 0.237 0.000 2.216 391 F HA -0.277 nan 4.527 nan 0.000 0.300 391 F C 1.246 177.129 175.800 0.139 0.000 1.085 391 F CA 1.834 59.942 58.000 0.180 0.000 1.326 391 F CB -0.632 38.453 39.000 0.142 0.000 1.027 391 F HN -0.414 7.841 8.300 0.068 0.086 0.497 392 A N -2.071 120.928 122.820 0.299 0.000 1.969 392 A HA -0.190 nan 4.320 nan 0.000 0.218 392 A C 1.187 178.846 177.584 0.125 0.000 1.169 392 A CA 2.534 54.681 52.037 0.183 0.000 0.635 392 A CB -0.823 18.259 19.000 0.135 0.000 0.810 392 A HN -0.358 7.858 8.150 0.289 0.108 0.445 393 R N -3.273 117.294 120.500 0.111 0.000 2.323 393 R HA -0.110 nan 4.340 nan 0.000 0.198 393 R C 0.552 176.912 176.300 0.100 0.000 0.988 393 R CA 1.725 57.873 56.100 0.079 0.000 1.041 393 R CB 0.258 30.583 30.300 0.043 0.000 0.926 393 R HN -0.394 7.824 8.270 0.114 0.121 0.476 394 I N -1.922 118.725 120.570 0.128 0.000 4.032 394 I HA -0.071 nan 4.170 nan 0.000 0.313 394 I C 0.373 176.538 176.117 0.080 0.000 1.272 394 I CA 0.418 61.772 61.300 0.091 0.000 1.307 394 I CB 2.012 40.051 38.000 0.064 0.000 1.155 394 I HN -0.555 7.550 8.210 0.170 0.207 0.431 395 V N 0.000 119.975 119.914 0.102 0.000 2.409 395 V HA 0.000 nan 4.120 nan 0.000 0.244 395 V CA 0.000 62.342 62.300 0.069 0.000 1.235 395 V CB 0.000 31.867 31.823 0.074 0.000 1.184 395 V HN 0.000 8.271 8.190 0.135 0.000 0.556