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 2yr0_1_B DATA FIRST_RESID 17 DATA SEQUENCE AHPPEVAGQI ATAXASAVHP KGEEPVFLEL GVGTGRIALP LIARGYRYIA DATA SEQUENCE LDADAAXLEV FRQKIAGVDR KVQVVQADAR AIPLPDESVH GVIVVHLWHL DATA SEQUENCE VPDWPKVLAE AIRVLKPGGA LLEGWDQAEA SPEWTLQERW RAFAAEEGFP DATA SEQUENCE VERGLHAKRL KEVEEALRRL GLKPRTREVA RWREERTPRE ALEALSERLY DATA SEQUENCE SFTQGLPEPV HARVXERLWA WAEAELGDLD RPFPVEKRFL LRVSRL 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 17 A HA 0.000 nan 4.320 nan 0.000 0.244 17 A C 0.000 177.557 177.584 -0.044 0.000 1.274 17 A CA 0.000 51.981 52.037 -0.093 0.000 0.836 17 A CB 0.000 18.985 19.000 -0.024 0.000 0.831 18 H N 1.961 120.985 119.070 -0.078 0.000 2.562 18 H HA 0.428 4.916 4.556 -0.113 0.000 0.352 18 H C -2.103 173.058 175.328 -0.278 0.000 1.125 18 H CA -1.372 54.530 56.048 -0.243 0.000 1.379 18 H CB 0.736 30.257 29.762 -0.402 0.000 1.464 18 H HN 0.423 nan 8.280 nan 0.000 0.563 19 P HA -0.059 nan 4.420 nan 0.000 0.269 19 P C -1.935 175.239 177.300 -0.209 0.000 1.215 19 P CA -0.998 61.979 63.100 -0.205 0.000 0.780 19 P CB 0.424 31.962 31.700 -0.271 0.000 0.898 20 P HA -0.248 nan 4.420 nan 0.000 0.215 20 P C 1.392 178.606 177.300 -0.143 0.000 1.163 20 P CA 1.518 64.548 63.100 -0.117 0.000 0.894 20 P CB 0.003 31.655 31.700 -0.079 0.000 0.791 21 E N -0.463 119.651 120.200 -0.145 0.000 2.077 21 E HA -0.155 4.129 4.350 -0.110 0.000 0.193 21 E C 1.791 178.266 176.600 -0.208 0.000 0.989 21 E CA 1.189 57.505 56.400 -0.139 0.000 0.800 21 E CB -0.364 29.273 29.700 -0.104 0.000 0.746 21 E HN -0.057 nan 8.360 nan 0.000 0.452 22 V N 1.307 121.020 119.914 -0.335 0.000 2.343 22 V HA -0.273 3.780 4.120 -0.110 0.000 0.247 22 V C 2.504 178.321 176.094 -0.462 0.000 1.051 22 V CA 1.834 63.825 62.300 -0.515 0.000 1.036 22 V CB -0.850 30.344 31.823 -1.049 0.000 0.654 22 V HN 0.458 nan 8.190 nan 0.000 0.451 23 A N 0.528 123.136 122.820 -0.355 0.000 1.933 23 A HA -0.100 4.154 4.320 -0.110 0.000 0.218 23 A C 2.415 179.875 177.584 -0.206 0.000 1.175 23 A CA 1.983 53.866 52.037 -0.256 0.000 0.628 23 A CB -1.198 17.712 19.000 -0.150 0.000 0.814 23 A HN 0.533 nan 8.150 nan 0.000 0.444 24 G N -0.893 107.807 108.800 -0.167 0.000 2.421 24 G HA2 -0.227 3.667 3.960 -0.110 0.000 0.216 24 G HA3 -0.227 3.667 3.960 -0.110 0.000 0.216 24 G C 1.598 176.432 174.900 -0.110 0.000 1.171 24 G CA 0.974 46.006 45.100 -0.112 0.000 0.775 24 G HN 0.635 nan 8.290 nan 0.000 0.543 25 Q N -0.232 119.486 119.800 -0.137 0.000 2.124 25 Q HA -0.006 4.268 4.340 -0.110 0.000 0.202 25 Q C 2.594 178.521 176.000 -0.123 0.000 0.977 25 Q CA 0.974 56.711 55.803 -0.109 0.000 0.850 25 Q CB -0.185 28.488 28.738 -0.108 0.000 0.901 25 Q HN 0.550 nan 8.270 nan 0.000 0.429 26 I N 0.426 120.867 120.570 -0.214 0.000 2.202 26 I HA -0.234 3.870 4.170 -0.110 0.000 0.242 26 I C 2.434 178.457 176.117 -0.157 0.000 1.091 26 I CA 0.913 62.071 61.300 -0.236 0.000 1.368 26 I CB -0.454 37.239 38.000 -0.513 0.000 1.058 26 I HN 0.138 nan 8.210 nan 0.000 0.410 27 A N 0.271 122.997 122.820 -0.156 0.000 1.933 27 A HA -0.198 4.056 4.320 -0.110 0.000 0.218 27 A C 2.380 179.926 177.584 -0.062 0.000 1.175 27 A CA 2.399 54.363 52.037 -0.122 0.000 0.628 27 A CB -1.031 17.915 19.000 -0.091 0.000 0.814 27 A HN 0.381 nan 8.150 nan 0.000 0.444 28 T N 0.239 114.773 114.554 -0.032 0.000 2.777 28 T HA 0.212 4.496 4.350 -0.110 0.000 0.266 28 T C 1.338 176.047 174.700 0.015 0.000 1.040 28 T CA 0.870 62.978 62.100 0.013 0.000 1.141 28 T CB -0.481 68.393 68.868 0.010 0.000 0.868 28 T HN 0.653 nan 8.240 nan 0.000 0.444 32 S N 0.718 116.481 115.700 0.105 0.000 2.447 32 S HA 0.114 4.518 4.470 -0.110 0.000 0.233 32 S C 1.910 176.585 174.600 0.126 0.000 1.006 32 S CA 1.318 59.583 58.200 0.108 0.000 0.957 32 S CB -0.120 63.129 63.200 0.082 0.000 0.773 32 S HN 1.074 nan 8.310 nan 0.000 0.507 33 A N 0.774 123.657 122.820 0.104 0.000 2.169 33 A HA 0.248 4.502 4.320 -0.110 0.000 0.212 33 A C 0.838 178.434 177.584 0.019 0.000 1.153 33 A CA 0.166 52.242 52.037 0.064 0.000 0.756 33 A CB -0.024 19.002 19.000 0.043 0.000 0.813 33 A HN 0.263 nan 8.150 nan 0.000 0.471 34 V N 1.201 121.163 119.914 0.080 0.000 2.530 34 V HA 0.135 4.188 4.120 -0.110 0.000 0.282 34 V C -0.244 175.950 176.094 0.167 0.000 1.048 34 V CA -0.167 62.147 62.300 0.023 0.000 0.997 34 V CB 0.418 32.170 31.823 -0.118 0.000 0.987 34 V HN 0.535 nan 8.190 nan 0.000 0.477 35 H N 6.592 125.639 119.070 -0.040 0.000 2.632 35 H HA 0.262 4.752 4.556 -0.110 0.000 0.258 35 H C -1.771 173.502 175.328 -0.091 0.000 1.278 35 H CA -1.608 54.413 56.048 -0.044 0.000 1.352 35 H CB 1.324 31.082 29.762 -0.007 0.000 1.418 35 H HN 0.536 nan 8.280 nan 0.000 0.513 36 P HA 0.011 nan 4.420 nan 0.000 0.257 36 P C -0.288 176.916 177.300 -0.161 0.000 1.325 36 P CA -0.053 62.825 63.100 -0.370 0.000 0.850 36 P CB 0.125 31.384 31.700 -0.735 0.000 1.324 37 K N 0.096 120.465 120.400 -0.052 0.000 3.071 37 K HA -0.201 4.052 4.320 -0.110 0.000 0.262 37 K C 1.038 177.618 176.600 -0.034 0.000 0.977 37 K CA 0.422 56.696 56.287 -0.023 0.000 0.721 37 K CB -2.373 30.138 32.500 0.018 0.000 1.293 37 K HN 0.435 nan 8.250 nan 0.000 0.475 38 G N -0.569 108.196 108.800 -0.058 0.000 2.225 38 G HA2 -0.334 3.560 3.960 -0.110 0.000 0.254 38 G HA3 -0.334 3.560 3.960 -0.110 0.000 0.254 38 G C 0.082 174.956 174.900 -0.044 0.000 0.988 38 G CA 0.623 45.697 45.100 -0.043 0.000 0.625 38 G HN 0.504 nan 8.290 nan 0.000 0.527 39 E N 0.622 120.785 120.200 -0.063 0.000 2.369 39 E HA 0.432 4.716 4.350 -0.110 0.000 0.255 39 E C 0.311 176.869 176.600 -0.071 0.000 1.172 39 E CA -0.423 55.961 56.400 -0.026 0.000 0.932 39 E CB 0.731 30.474 29.700 0.071 0.000 1.040 39 E HN 0.409 nan 8.360 nan 0.000 0.454 40 E N 2.773 122.979 120.200 0.010 0.000 2.299 40 E HA 0.050 4.333 4.350 -0.110 0.000 0.272 40 E C -2.066 174.547 176.600 0.021 0.000 1.043 40 E CA -1.835 54.574 56.400 0.017 0.000 0.895 40 E CB 0.438 30.170 29.700 0.053 0.000 1.011 40 E HN 0.095 nan 8.360 nan 0.000 0.432 41 P HA -0.066 nan 4.420 nan 0.000 0.267 41 P C -0.888 176.477 177.300 0.108 0.000 1.205 41 P CA 0.004 63.053 63.100 -0.084 0.000 0.765 41 P CB 1.114 32.739 31.700 -0.126 0.000 0.828 42 V N 5.369 125.423 119.914 0.232 0.000 2.540 42 V HA 0.527 4.581 4.120 -0.110 0.000 0.302 42 V C -1.172 174.825 176.094 -0.162 0.000 1.035 42 V CA -0.803 61.526 62.300 0.049 0.000 0.873 42 V CB 0.866 32.713 31.823 0.041 0.000 0.992 42 V HN 0.239 nan 8.190 nan 0.000 0.428 43 F N 6.333 126.255 119.950 -0.046 0.000 2.450 43 F HA 0.714 5.176 4.527 -0.109 0.000 0.332 43 F C -0.188 175.382 175.800 -0.384 0.000 1.093 43 F CA -0.726 57.129 58.000 -0.242 0.000 1.003 43 F CB 1.944 40.703 39.000 -0.402 0.000 1.151 43 F HN 0.446 nan 8.300 nan 0.000 0.474 44 L N 2.883 124.041 121.223 -0.109 0.000 2.333 44 L HA 0.523 4.797 4.340 -0.110 0.000 0.280 44 L C -0.814 175.938 176.870 -0.197 0.000 1.004 44 L CA -0.452 54.290 54.840 -0.163 0.000 0.820 44 L CB 1.634 43.651 42.059 -0.071 0.000 1.247 44 L HN 0.700 nan 8.230 nan 0.000 0.416 45 E N 4.146 124.205 120.200 -0.235 0.000 2.158 45 E HA 0.458 4.742 4.350 -0.110 0.000 0.271 45 E C -1.623 174.931 176.600 -0.076 0.000 0.911 45 E CA -0.831 55.494 56.400 -0.125 0.000 0.767 45 E CB 1.328 31.018 29.700 -0.016 0.000 1.120 45 E HN 0.603 nan 8.360 nan 0.000 0.405 46 L N 4.060 125.239 121.223 -0.075 0.000 2.257 46 L HA 0.430 4.704 4.340 -0.110 0.000 0.290 46 L C 0.685 177.500 176.870 -0.091 0.000 1.044 46 L CA 0.615 55.409 54.840 -0.075 0.000 0.810 46 L CB 0.964 42.974 42.059 -0.083 0.000 1.193 46 L HN 0.849 nan 8.230 nan 0.000 0.425 47 G N 2.955 111.708 108.800 -0.077 0.000 2.370 47 G HA2 -0.207 3.687 3.960 -0.110 0.000 0.268 47 G HA3 -0.207 3.687 3.960 -0.110 0.000 0.268 47 G C 0.784 175.634 174.900 -0.084 0.000 1.122 47 G CA 0.179 45.234 45.100 -0.075 0.000 0.963 47 G HN 0.587 nan 8.290 nan 0.000 0.500 48 V N 0.195 120.034 119.914 -0.126 0.000 2.720 48 V HA 0.266 4.320 4.120 -0.110 0.000 0.256 48 V C 2.506 178.482 176.094 -0.198 0.000 1.082 48 V CA 3.193 65.374 62.300 -0.199 0.000 1.101 48 V CB -0.730 30.852 31.823 -0.403 0.000 0.693 48 V HN 2.507 nan 8.190 nan 0.000 0.479 49 G N 0.362 109.081 108.800 -0.136 0.000 2.611 49 G HA2 -0.468 3.426 3.960 -0.110 0.000 0.301 49 G HA3 -0.468 3.426 3.960 -0.110 0.000 0.301 49 G C 0.875 175.731 174.900 -0.073 0.000 1.233 49 G CA 1.281 46.335 45.100 -0.076 0.000 0.993 49 G HN 1.220 nan 8.290 nan 0.000 0.553 50 T N -1.455 113.093 114.554 -0.011 0.000 3.107 50 T HA 0.471 4.755 4.350 -0.110 0.000 0.249 50 T C 2.073 176.871 174.700 0.164 0.000 1.096 50 T CA 1.381 63.526 62.100 0.075 0.000 1.012 50 T CB 0.206 69.107 68.868 0.055 0.000 0.977 50 T HN 2.745 nan 8.240 nan 0.000 0.527 51 G N 1.969 110.783 108.800 0.024 0.000 2.130 51 G HA2 -0.291 3.602 3.960 -0.110 0.000 0.216 51 G HA3 -0.291 3.602 3.960 -0.110 0.000 0.216 51 G C 0.706 175.628 174.900 0.037 0.000 0.999 51 G CA 0.312 45.460 45.100 0.080 0.000 0.686 51 G HN 0.593 nan 8.290 nan 0.000 0.515 52 R N -0.298 120.194 120.500 -0.014 0.000 2.091 52 R HA -0.053 4.221 4.340 -0.110 0.000 0.238 52 R C 2.297 178.555 176.300 -0.070 0.000 1.136 52 R CA 1.989 58.057 56.100 -0.053 0.000 0.959 52 R CB -0.213 30.035 30.300 -0.087 0.000 0.856 52 R HN 0.460 nan 8.270 nan 0.000 0.437 53 I N 0.326 120.858 120.570 -0.064 0.000 2.703 53 I HA -0.026 4.078 4.170 -0.110 0.000 0.259 53 I C 2.478 178.531 176.117 -0.106 0.000 1.151 53 I CA 0.971 62.226 61.300 -0.075 0.000 1.470 53 I CB -1.246 36.734 38.000 -0.033 0.000 1.112 53 I HN 0.251 nan 8.210 nan 0.000 0.437 54 A N 1.576 124.315 122.820 -0.134 0.000 1.858 54 A HA -0.179 4.075 4.320 -0.110 0.000 0.216 54 A C 2.305 179.669 177.584 -0.368 0.000 1.190 54 A CA 1.123 52.904 52.037 -0.426 0.000 0.617 54 A CB -0.956 17.796 19.000 -0.413 0.000 0.827 54 A HN 0.304 nan 8.150 nan 0.000 0.443 55 L N 0.236 121.378 121.223 -0.135 0.000 2.021 55 L HA -0.160 4.114 4.340 -0.110 0.000 0.215 55 L C -0.449 176.358 176.870 -0.105 0.000 1.074 55 L CA 2.829 57.608 54.840 -0.100 0.000 0.760 55 L CB -2.089 39.939 42.059 -0.051 0.000 0.889 55 L HN 0.185 nan 8.230 nan 0.000 0.433 56 P HA -0.161 nan 4.420 nan 0.000 0.216 56 P C 2.149 179.433 177.300 -0.027 0.000 1.150 56 P CA 1.339 64.397 63.100 -0.070 0.000 0.837 56 P CB 0.101 31.746 31.700 -0.092 0.000 0.786 57 L N -1.732 119.459 121.223 -0.054 0.000 2.095 57 L HA -0.082 4.192 4.340 -0.110 0.000 0.204 57 L C 2.397 179.383 176.870 0.193 0.000 1.080 57 L CA 1.061 55.953 54.840 0.087 0.000 0.759 57 L CB -0.688 41.340 42.059 -0.052 0.000 0.914 57 L HN -0.103 nan 8.230 nan 0.000 0.439 58 I N 0.135 120.701 120.570 -0.007 0.000 2.208 58 I HA -0.320 3.784 4.170 -0.110 0.000 0.245 58 I C 2.789 178.926 176.117 0.033 0.000 1.097 58 I CA 1.243 62.557 61.300 0.023 0.000 1.363 58 I CB -0.455 37.483 38.000 -0.102 0.000 1.051 58 I HN 0.215 nan 8.210 nan 0.000 0.413 59 A N 0.824 123.642 122.820 -0.003 0.000 1.986 59 A HA -0.208 4.046 4.320 -0.110 0.000 0.220 59 A C 2.227 179.813 177.584 0.003 0.000 1.171 59 A CA 1.513 53.544 52.037 -0.011 0.000 0.640 59 A CB -0.593 18.393 19.000 -0.023 0.000 0.811 59 A HN 0.399 nan 8.150 nan 0.000 0.451 60 R N -1.330 119.195 120.500 0.042 0.000 2.319 60 R HA 0.202 4.475 4.340 -0.110 0.000 0.204 60 R C 1.214 177.437 176.300 -0.127 0.000 0.954 60 R CA 0.500 56.600 56.100 0.000 0.000 1.066 60 R CB -0.193 30.168 30.300 0.102 0.000 0.991 60 R HN 0.715 nan 8.270 nan 0.000 0.486 61 G N 0.083 108.845 108.800 -0.064 0.000 2.157 61 G HA2 -0.295 3.599 3.960 -0.110 0.000 0.239 61 G HA3 -0.295 3.599 3.960 -0.110 0.000 0.239 61 G C -0.250 174.594 174.900 -0.093 0.000 0.982 61 G CA -0.378 44.663 45.100 -0.097 0.000 0.650 61 G HN 0.260 nan 8.290 nan 0.000 0.527 62 Y N 1.484 121.889 120.300 0.174 0.000 2.411 62 Y HA 0.464 4.948 4.550 -0.110 0.000 0.333 62 Y C 1.636 177.708 175.900 0.287 0.000 1.186 62 Y CA -0.352 57.911 58.100 0.271 0.000 1.381 62 Y CB 0.521 39.270 38.460 0.481 0.000 1.273 62 Y HN 0.128 nan 8.280 nan 0.000 0.546 63 R N 2.438 123.178 120.500 0.401 0.000 2.537 63 R HA 0.152 4.426 4.340 -0.110 0.000 0.280 63 R C -1.392 175.173 176.300 0.443 0.000 1.058 63 R CA -0.087 56.202 56.100 0.314 0.000 1.057 63 R CB 0.375 30.799 30.300 0.206 0.000 0.973 63 R HN 0.675 nan 8.270 nan 0.000 0.438 64 Y N 2.058 122.501 120.300 0.238 0.000 2.421 64 Y HA 0.378 4.861 4.550 -0.111 0.000 0.339 64 Y C -0.719 175.290 175.900 0.182 0.000 0.996 64 Y CA -0.739 57.509 58.100 0.246 0.000 1.046 64 Y CB 1.450 40.055 38.460 0.241 0.000 1.226 64 Y HN 0.436 nan 8.280 nan 0.000 0.445 65 I N 5.411 126.020 120.570 0.065 0.000 2.354 65 I HA 0.535 4.639 4.170 -0.110 0.000 0.286 65 I C -0.475 175.684 176.117 0.071 0.000 1.007 65 I CA -0.700 60.654 61.300 0.090 0.000 1.167 65 I CB 1.285 39.295 38.000 0.016 0.000 1.320 65 I HN 0.709 nan 8.210 nan 0.000 0.458 66 A N 8.028 130.971 122.820 0.205 0.000 2.249 66 A HA 0.664 4.918 4.320 -0.110 0.000 0.314 66 A C -0.802 176.781 177.584 -0.003 0.000 1.290 66 A CA -0.389 51.703 52.037 0.091 0.000 0.893 66 A CB 0.705 19.679 19.000 -0.043 0.000 1.165 66 A HN 0.762 nan 8.150 nan 0.000 0.530 67 L N 2.782 123.980 121.223 -0.041 0.000 2.329 67 L HA 0.707 4.981 4.340 -0.110 0.000 0.279 67 L C -1.127 175.708 176.870 -0.059 0.000 1.014 67 L CA -0.435 54.385 54.840 -0.033 0.000 0.814 67 L CB 1.513 43.560 42.059 -0.021 0.000 1.257 67 L HN 0.760 nan 8.230 nan 0.000 0.424 68 D N 2.254 122.631 120.400 -0.039 0.000 2.706 68 D HA 0.306 4.880 4.640 -0.110 0.000 0.225 68 D C -0.222 176.069 176.300 -0.015 0.000 1.241 68 D CA -0.056 53.921 54.000 -0.040 0.000 0.784 68 D CB 2.567 43.330 40.800 -0.061 0.000 1.521 68 D HN 0.618 nan 8.370 nan 0.000 0.461 69 A N 1.974 124.787 122.820 -0.013 0.000 2.081 69 A HA 0.032 4.285 4.320 -0.110 0.000 0.214 69 A C 0.793 178.376 177.584 -0.001 0.000 1.158 69 A CA 0.577 52.612 52.037 -0.003 0.000 0.724 69 A CB 0.120 19.119 19.000 -0.002 0.000 0.826 69 A HN 0.465 nan 8.150 nan 0.000 0.463 70 D N 0.348 120.744 120.400 -0.006 0.000 2.339 70 D HA 0.464 5.038 4.640 -0.110 0.000 0.241 70 D C 1.190 177.494 176.300 0.007 0.000 1.183 70 D CA 0.486 54.485 54.000 -0.002 0.000 0.859 70 D CB 1.490 42.285 40.800 -0.009 0.000 1.067 70 D HN 0.121 nan 8.370 nan 0.000 0.484 71 A N 4.236 127.063 122.820 0.012 0.000 1.940 71 A HA 0.055 4.308 4.320 -0.110 0.000 0.219 71 A C 1.396 178.995 177.584 0.025 0.000 1.176 71 A CA 1.379 53.429 52.037 0.021 0.000 0.631 71 A CB -0.422 18.588 19.000 0.017 0.000 0.814 71 A HN 0.672 nan 8.150 nan 0.000 0.446 75 E N 1.204 121.457 120.200 0.089 0.000 2.051 75 E HA -0.151 4.133 4.350 -0.110 0.000 0.192 75 E C 1.868 178.503 176.600 0.060 0.000 0.991 75 E CA 1.902 58.339 56.400 0.061 0.000 0.799 75 E CB 0.270 29.991 29.700 0.035 0.000 0.748 75 E HN 0.251 nan 8.360 nan 0.000 0.449 76 V N 0.984 120.940 119.914 0.071 0.000 2.343 76 V HA -0.228 3.826 4.120 -0.110 0.000 0.247 76 V C 2.112 178.263 176.094 0.095 0.000 1.051 76 V CA 1.870 64.207 62.300 0.062 0.000 1.036 76 V CB -0.716 31.142 31.823 0.058 0.000 0.654 76 V HN 0.359 nan 8.190 nan 0.000 0.451 77 F N 1.649 121.590 119.950 -0.015 0.000 2.043 77 F HA -0.226 4.235 4.527 -0.110 0.000 0.297 77 F C 2.630 178.419 175.800 -0.018 0.000 1.121 77 F CA 1.905 59.894 58.000 -0.018 0.000 1.199 77 F CB -0.588 38.407 39.000 -0.007 0.000 0.968 77 F HN -0.016 nan 8.300 nan 0.000 0.478 78 R N -0.251 120.195 120.500 -0.089 0.000 2.154 78 R HA -0.220 4.054 4.340 -0.110 0.000 0.248 78 R C 2.173 178.359 176.300 -0.190 0.000 1.155 78 R CA 1.647 57.630 56.100 -0.195 0.000 0.979 78 R CB -0.565 29.712 30.300 -0.039 0.000 0.869 78 R HN 0.471 nan 8.270 nan 0.000 0.452 79 Q N 0.405 120.136 119.800 -0.114 0.000 2.083 79 Q HA -0.066 4.208 4.340 -0.110 0.000 0.198 79 Q C 1.950 177.877 176.000 -0.122 0.000 0.969 79 Q CA 1.028 56.776 55.803 -0.091 0.000 0.838 79 Q CB 0.017 28.728 28.738 -0.046 0.000 0.900 79 Q HN 0.229 nan 8.270 nan 0.000 0.436 80 K N 1.031 121.343 120.400 -0.147 0.000 2.097 80 K HA -0.061 4.193 4.320 -0.110 0.000 0.205 80 K C 2.040 178.515 176.600 -0.209 0.000 1.050 80 K CA 0.831 57.032 56.287 -0.145 0.000 0.938 80 K CB -0.201 32.242 32.500 -0.095 0.000 0.718 80 K HN 0.406 nan 8.250 nan 0.000 0.442 81 I N -1.397 118.963 120.570 -0.350 0.000 3.810 81 I HA 0.228 4.331 4.170 -0.110 0.000 0.322 81 I C 0.413 176.404 176.117 -0.209 0.000 1.288 81 I CA -0.507 60.597 61.300 -0.327 0.000 1.143 81 I CB -0.223 37.460 38.000 -0.528 0.000 1.012 81 I HN -0.253 nan 8.210 nan 0.000 0.423 82 A N 1.714 124.436 122.820 -0.164 0.000 2.546 82 A HA 0.396 4.650 4.320 -0.110 0.000 0.243 82 A C 1.560 179.093 177.584 -0.086 0.000 1.063 82 A CA 0.775 52.746 52.037 -0.109 0.000 0.757 82 A CB -0.556 18.393 19.000 -0.085 0.000 0.991 82 A HN 1.146 nan 8.150 nan 0.000 0.503 83 G N 0.249 109.008 108.800 -0.069 0.000 2.176 83 G HA2 -0.104 3.790 3.960 -0.110 0.000 0.253 83 G HA3 -0.104 3.790 3.960 -0.110 0.000 0.253 83 G C 0.598 175.466 174.900 -0.052 0.000 0.979 83 G CA 0.713 45.781 45.100 -0.053 0.000 0.641 83 G HN 2.400 nan 8.290 nan 0.000 0.530 84 V N -2.313 117.561 119.914 -0.066 0.000 3.399 84 V HA 0.427 4.481 4.120 -0.110 0.000 0.357 84 V C 0.595 176.655 176.094 -0.057 0.000 1.480 84 V CA 0.841 63.107 62.300 -0.056 0.000 1.263 84 V CB 0.408 32.193 31.823 -0.062 0.000 1.103 84 V HN 0.253 nan 8.190 nan 0.000 0.533 85 D N 0.003 120.365 120.400 -0.063 0.000 2.325 85 D HA 0.074 4.648 4.640 -0.110 0.000 0.225 85 D C 1.605 177.903 176.300 -0.003 0.000 1.096 85 D CA -0.222 53.747 54.000 -0.052 0.000 0.844 85 D CB -0.015 40.731 40.800 -0.090 0.000 0.925 85 D HN 0.447 nan 8.370 nan 0.000 0.513 86 R N 0.870 121.371 120.500 0.001 0.000 2.091 86 R HA -0.051 4.223 4.340 -0.110 0.000 0.238 86 R C 1.145 177.469 176.300 0.041 0.000 1.136 86 R CA 1.150 57.259 56.100 0.016 0.000 0.959 86 R CB -0.041 30.264 30.300 0.009 0.000 0.856 86 R HN 0.190 nan 8.270 nan 0.000 0.437 87 K N 0.312 120.749 120.400 0.061 0.000 2.493 87 K HA 0.200 4.454 4.320 -0.110 0.000 0.207 87 K C -0.760 175.930 176.600 0.150 0.000 1.033 87 K CA -0.095 56.251 56.287 0.099 0.000 1.161 87 K CB 1.230 33.795 32.500 0.107 0.000 0.873 87 K HN -0.087 nan 8.250 nan 0.000 0.491 88 V N 1.446 121.440 119.914 0.133 0.000 2.495 88 V HA 0.209 4.263 4.120 -0.110 0.000 0.298 88 V C -0.590 175.607 176.094 0.172 0.000 1.031 88 V CA -0.895 61.522 62.300 0.194 0.000 0.871 88 V CB 1.653 33.576 31.823 0.166 0.000 0.988 88 V HN 0.096 nan 8.190 nan 0.000 0.432 89 Q N 3.622 123.544 119.800 0.204 0.000 2.348 89 Q HA 0.527 4.801 4.340 -0.110 0.000 0.265 89 Q C -1.129 174.985 176.000 0.191 0.000 0.998 89 Q CA -0.245 55.651 55.803 0.156 0.000 0.831 89 Q CB 1.738 30.546 28.738 0.116 0.000 1.251 89 Q HN 0.590 nan 8.270 nan 0.000 0.456 90 V N 4.769 124.791 119.914 0.181 0.000 2.498 90 V HA 0.518 4.572 4.120 -0.110 0.000 0.279 90 V C -0.399 175.766 176.094 0.118 0.000 1.048 90 V CA -0.514 61.905 62.300 0.199 0.000 0.967 90 V CB 1.456 33.410 31.823 0.219 0.000 0.988 90 V HN 0.614 nan 8.190 nan 0.000 0.473 91 V N 4.903 124.871 119.914 0.090 0.000 2.525 91 V HA 0.406 4.460 4.120 -0.110 0.000 0.299 91 V C -0.335 175.781 176.094 0.037 0.000 1.034 91 V CA -0.650 61.683 62.300 0.055 0.000 0.863 91 V CB 1.682 33.530 31.823 0.041 0.000 0.999 91 V HN 0.917 nan 8.190 nan 0.000 0.423 92 Q N 3.170 122.991 119.800 0.034 0.000 2.368 92 Q HA 0.759 5.033 4.340 -0.110 0.000 0.256 92 Q C -0.511 175.500 176.000 0.018 0.000 0.980 92 Q CA -0.121 55.696 55.803 0.024 0.000 0.887 92 Q CB 1.400 30.154 28.738 0.027 0.000 1.221 92 Q HN 1.054 nan 8.270 nan 0.000 0.458 93 A N 3.487 126.315 122.820 0.012 0.000 2.515 93 A HA 0.336 4.590 4.320 -0.110 0.000 0.292 93 A C -1.823 175.766 177.584 0.010 0.000 1.065 93 A CA -0.837 51.207 52.037 0.012 0.000 0.641 93 A CB 1.376 20.384 19.000 0.014 0.000 1.306 93 A HN 0.702 nan 8.150 nan 0.000 0.441 94 D N 0.457 120.865 120.400 0.013 0.000 2.210 94 D HA 0.514 5.087 4.640 -0.110 0.000 0.249 94 D C 1.249 177.562 176.300 0.022 0.000 1.062 94 D CA 0.521 54.531 54.000 0.017 0.000 0.891 94 D CB 1.938 42.750 40.800 0.019 0.000 1.186 94 D HN 0.659 nan 8.370 nan 0.000 0.432 95 A N 4.408 127.244 122.820 0.027 0.000 2.125 95 A HA -0.142 4.112 4.320 -0.110 0.000 0.219 95 A C 1.882 179.502 177.584 0.060 0.000 1.156 95 A CA 0.952 53.013 52.037 0.039 0.000 0.671 95 A CB -0.125 18.899 19.000 0.040 0.000 0.794 95 A HN 0.616 nan 8.150 nan 0.000 0.459 96 R N -0.873 119.661 120.500 0.056 0.000 2.280 96 R HA 0.162 4.436 4.340 -0.110 0.000 0.207 96 R C 0.364 176.687 176.300 0.037 0.000 1.043 96 R CA 0.766 56.898 56.100 0.054 0.000 1.006 96 R CB -0.069 30.256 30.300 0.041 0.000 0.885 96 R HN 0.397 nan 8.270 nan 0.000 0.467 97 A N 1.073 123.912 122.820 0.031 0.000 3.300 97 A HA 0.302 4.556 4.320 -0.110 0.000 0.300 97 A C -0.388 177.208 177.584 0.020 0.000 1.099 97 A CA -0.679 51.372 52.037 0.023 0.000 0.846 97 A CB 0.210 19.220 19.000 0.017 0.000 1.255 97 A HN 0.067 nan 8.150 nan 0.000 0.519 98 I N 2.614 123.197 120.570 0.022 0.000 2.598 98 I HA 0.155 4.259 4.170 -0.110 0.000 0.284 98 I C -1.507 174.617 176.117 0.013 0.000 1.140 98 I CA -1.015 60.295 61.300 0.017 0.000 1.420 98 I CB 0.992 39.002 38.000 0.017 0.000 1.387 98 I HN 0.376 nan 8.210 nan 0.000 0.553 99 P HA 0.355 nan 4.420 nan 0.000 0.219 99 P C -0.829 176.476 177.300 0.009 0.000 1.832 99 P CA 0.139 63.245 63.100 0.011 0.000 1.014 99 P CB 0.172 31.880 31.700 0.014 0.000 1.939 100 L N 1.764 122.990 121.223 0.005 0.000 2.376 100 L HA 0.580 4.854 4.340 -0.110 0.000 0.258 100 L C -2.446 174.422 176.870 -0.003 0.000 1.013 100 L CA -2.637 52.202 54.840 -0.001 0.000 0.822 100 L CB 2.516 44.571 42.059 -0.007 0.000 1.388 100 L HN -0.074 nan 8.230 nan 0.000 0.413 101 P HA 0.164 nan 4.420 nan 0.000 0.274 101 P C -1.382 175.910 177.300 -0.013 0.000 1.237 101 P CA -0.539 62.556 63.100 -0.009 0.000 0.793 101 P CB 0.411 32.104 31.700 -0.011 0.000 0.977 102 D N 1.055 121.449 120.400 -0.009 0.000 2.423 102 D HA -0.014 4.560 4.640 -0.110 0.000 0.238 102 D C 0.222 176.510 176.300 -0.019 0.000 1.142 102 D CA 0.404 54.398 54.000 -0.009 0.000 0.884 102 D CB -0.157 40.641 40.800 -0.003 0.000 1.199 102 D HN 0.418 nan 8.370 nan 0.000 0.438 103 E N -0.032 120.154 120.200 -0.024 0.000 2.197 103 E HA -0.208 4.076 4.350 -0.110 0.000 0.184 103 E C -0.016 176.542 176.600 -0.070 0.000 1.439 103 E CA 0.545 56.921 56.400 -0.040 0.000 0.688 103 E CB -1.381 28.306 29.700 -0.022 0.000 1.090 103 E HN 0.478 nan 8.360 nan 0.000 0.341 104 S N -1.866 113.778 115.700 -0.093 0.000 2.559 104 S HA 0.269 4.673 4.470 -0.110 0.000 0.226 104 S C 0.632 175.097 174.600 -0.226 0.000 1.030 104 S CA 0.170 58.296 58.200 -0.123 0.000 0.956 104 S CB 0.773 63.929 63.200 -0.073 0.000 0.900 104 S HN 0.385 nan 8.310 nan 0.000 0.510 105 V N -0.872 118.892 119.914 -0.251 0.000 3.001 105 V HA 0.603 4.657 4.120 -0.110 0.000 0.314 105 V C 0.452 176.309 176.094 -0.395 0.000 1.099 105 V CA -0.903 61.191 62.300 -0.344 0.000 0.989 105 V CB 1.309 33.034 31.823 -0.163 0.000 1.040 105 V HN 0.240 nan 8.190 nan 0.000 0.434 106 H N 1.977 120.972 119.070 -0.125 0.000 2.547 106 H HA 0.427 4.917 4.556 -0.110 0.000 0.272 106 H C 0.870 176.111 175.328 -0.144 0.000 0.971 106 H CA 1.020 56.983 56.048 -0.140 0.000 1.245 106 H CB 1.161 30.805 29.762 -0.196 0.000 1.440 106 H HN 0.946 nan 8.280 nan 0.000 0.540 107 G N 0.465 109.230 108.800 -0.059 0.000 2.719 107 G HA2 0.454 4.348 3.960 -0.110 0.000 0.298 107 G HA3 0.454 4.348 3.960 -0.110 0.000 0.298 107 G C -1.486 173.477 174.900 0.106 0.000 1.411 107 G CA -0.354 44.779 45.100 0.054 0.000 0.991 107 G HN 0.008 nan 8.290 nan 0.000 0.509 108 V N 2.990 122.963 119.914 0.099 0.000 2.407 108 V HA 0.410 4.464 4.120 -0.110 0.000 0.291 108 V C -0.067 176.068 176.094 0.068 0.000 1.018 108 V CA -0.563 61.775 62.300 0.063 0.000 0.842 108 V CB 1.264 33.119 31.823 0.055 0.000 0.996 108 V HN 0.642 nan 8.190 nan 0.000 0.426 109 I N 5.341 125.924 120.570 0.022 0.000 2.315 109 I HA 0.445 4.549 4.170 -0.110 0.000 0.291 109 I C -0.560 175.539 176.117 -0.030 0.000 1.006 109 I CA -0.516 60.787 61.300 0.004 0.000 1.265 109 I CB 1.613 39.590 38.000 -0.039 0.000 1.387 109 I HN 0.276 nan 8.210 nan 0.000 0.475 110 V N 7.535 127.430 119.914 -0.032 0.000 2.380 110 V HA 0.339 4.393 4.120 -0.110 0.000 0.286 110 V C -0.289 175.753 176.094 -0.087 0.000 1.015 110 V CA -0.587 61.622 62.300 -0.152 0.000 0.834 110 V CB 1.872 33.492 31.823 -0.338 0.000 1.009 110 V HN 0.405 nan 8.190 nan 0.000 0.428 111 V N 4.326 124.198 119.914 -0.071 0.000 2.376 111 V HA 0.488 4.542 4.120 -0.110 0.000 0.287 111 V C 0.059 176.140 176.094 -0.022 0.000 1.015 111 V CA -0.618 61.656 62.300 -0.044 0.000 0.834 111 V CB 0.844 32.670 31.823 0.004 0.000 1.001 111 V HN 1.101 nan 8.190 nan 0.000 0.428 112 H N 3.125 122.277 119.070 0.135 0.000 2.765 112 H HA -0.186 4.304 4.556 -0.109 0.000 0.332 112 H C 0.450 175.835 175.328 0.094 0.000 1.180 112 H CA 0.538 56.604 56.048 0.029 0.000 1.142 112 H CB -0.417 29.370 29.762 0.042 0.000 1.576 112 H HN 0.538 nan 8.280 nan 0.000 0.420 113 L N -1.398 119.887 121.223 0.103 0.000 2.713 113 L HA 0.200 4.474 4.340 -0.110 0.000 0.223 113 L C 1.733 178.661 176.870 0.098 0.000 1.040 113 L CA 0.660 55.469 54.840 -0.052 0.000 0.894 113 L CB -0.137 41.723 42.059 -0.332 0.000 1.361 113 L HN 0.437 nan 8.230 nan 0.000 0.490 114 W N 0.945 122.418 121.300 0.290 0.000 2.321 114 W HA -0.261 4.332 4.660 -0.112 0.000 0.306 114 W C 2.487 179.155 176.519 0.248 0.000 1.217 114 W CA 1.207 58.680 57.345 0.215 0.000 1.257 114 W CB -0.578 28.917 29.460 0.057 0.000 1.145 114 W HN 0.410 nan 8.180 nan 0.000 0.509 115 H N -0.107 119.207 119.070 0.408 0.000 2.561 115 H HA 0.002 4.494 4.556 -0.108 0.000 0.278 115 H C 1.396 176.831 175.328 0.180 0.000 1.014 115 H CA 1.040 57.244 56.048 0.260 0.000 1.211 115 H CB -0.766 29.117 29.762 0.202 0.000 1.365 115 H HN 0.289 nan 8.280 nan 0.000 0.594 116 L N 0.473 121.591 121.223 -0.175 0.000 2.693 116 L HA 0.245 4.519 4.340 -0.110 0.000 0.235 116 L C -0.090 176.803 176.870 0.038 0.000 1.127 116 L CA -0.106 54.627 54.840 -0.178 0.000 0.914 116 L CB 1.098 42.990 42.059 -0.278 0.000 1.193 116 L HN -0.027 nan 8.230 nan 0.000 0.502 117 V N 0.815 120.842 119.914 0.188 0.000 2.385 117 V HA 0.229 4.283 4.120 -0.110 0.000 0.277 117 V C -1.801 174.512 176.094 0.365 0.000 1.012 117 V CA -0.777 61.684 62.300 0.270 0.000 0.832 117 V CB 1.767 33.811 31.823 0.369 0.000 1.028 117 V HN -0.070 nan 8.190 nan 0.000 0.436 118 P HA -0.073 nan 4.420 nan 0.000 0.219 118 P C 0.571 177.961 177.300 0.151 0.000 1.150 118 P CA 0.941 64.188 63.100 0.245 0.000 0.814 118 P CB 0.132 31.913 31.700 0.135 0.000 0.787 119 D N -0.727 119.710 120.400 0.061 0.000 3.072 119 D HA -0.054 4.520 4.640 -0.110 0.000 0.250 119 D C 1.189 177.430 176.300 -0.098 0.000 1.304 119 D CA -0.755 53.173 54.000 -0.120 0.000 0.861 119 D CB -1.322 39.441 40.800 -0.062 0.000 1.062 119 D HN 0.378 nan 8.370 nan 0.000 0.481 120 W N -0.465 120.881 121.300 0.076 0.000 2.392 120 W HA -0.002 4.593 4.660 -0.108 0.000 0.279 120 W C -1.643 174.872 176.519 -0.008 0.000 1.225 120 W CA 0.309 57.716 57.345 0.103 0.000 1.233 120 W CB -2.028 27.404 29.460 -0.046 0.000 1.122 120 W HN 0.152 nan 8.180 nan 0.000 0.561 121 P HA -0.232 nan 4.420 nan 0.000 0.216 121 P C 1.666 178.871 177.300 -0.157 0.000 1.153 121 P CA 2.792 65.539 63.100 -0.588 0.000 0.858 121 P CB -0.195 31.005 31.700 -0.835 0.000 0.789 122 K N -0.303 120.026 120.400 -0.119 0.000 2.155 122 K HA -0.047 4.206 4.320 -0.110 0.000 0.203 122 K C 1.694 178.340 176.600 0.075 0.000 1.052 122 K CA 1.185 57.459 56.287 -0.021 0.000 0.948 122 K CB -1.088 31.395 32.500 -0.029 0.000 0.728 122 K HN -0.076 nan 8.250 nan 0.000 0.448 123 V N 0.828 120.844 119.914 0.169 0.000 2.379 123 V HA -0.147 3.907 4.120 -0.110 0.000 0.245 123 V C 2.166 178.443 176.094 0.305 0.000 1.044 123 V CA 1.388 63.845 62.300 0.261 0.000 1.036 123 V CB -0.485 31.582 31.823 0.407 0.000 0.664 123 V HN 0.306 nan 8.190 nan 0.000 0.453 124 L N 1.236 122.672 121.223 0.355 0.000 2.042 124 L HA -0.145 4.129 4.340 -0.110 0.000 0.210 124 L C 2.431 179.408 176.870 0.178 0.000 1.076 124 L CA 2.498 57.522 54.840 0.307 0.000 0.749 124 L CB -0.955 41.246 42.059 0.237 0.000 0.893 124 L HN 0.238 nan 8.230 nan 0.000 0.432 125 A N -1.214 121.674 122.820 0.112 0.000 1.972 125 A HA -0.160 4.094 4.320 -0.110 0.000 0.219 125 A C 2.169 179.794 177.584 0.069 0.000 1.169 125 A CA 1.577 53.654 52.037 0.067 0.000 0.635 125 A CB -0.495 18.521 19.000 0.027 0.000 0.810 125 A HN 0.545 nan 8.150 nan 0.000 0.446 126 E N -0.196 120.054 120.200 0.084 0.000 2.107 126 E HA -0.051 4.233 4.350 -0.110 0.000 0.191 126 E C 2.364 179.008 176.600 0.073 0.000 0.982 126 E CA 1.062 57.503 56.400 0.068 0.000 0.809 126 E CB -0.454 29.287 29.700 0.068 0.000 0.756 126 E HN 0.564 nan 8.360 nan 0.000 0.459 127 A N 1.198 124.083 122.820 0.110 0.000 1.902 127 A HA -0.134 4.120 4.320 -0.110 0.000 0.217 127 A C 2.257 179.888 177.584 0.078 0.000 1.181 127 A CA 1.043 53.142 52.037 0.103 0.000 0.623 127 A CB -0.566 18.534 19.000 0.165 0.000 0.818 127 A HN 0.165 nan 8.150 nan 0.000 0.443 128 I N -1.260 119.359 120.570 0.082 0.000 2.439 128 I HA -0.159 3.945 4.170 -0.110 0.000 0.251 128 I C 2.624 178.763 176.117 0.037 0.000 1.139 128 I CA 1.160 62.495 61.300 0.059 0.000 1.438 128 I CB -0.279 37.758 38.000 0.061 0.000 1.085 128 I HN 0.365 nan 8.210 nan 0.000 0.427 129 R N 1.243 121.764 120.500 0.035 0.000 2.096 129 R HA -0.140 4.133 4.340 -0.110 0.000 0.235 129 R C 2.193 178.498 176.300 0.009 0.000 1.127 129 R CA 1.934 58.047 56.100 0.020 0.000 0.968 129 R CB -0.076 30.236 30.300 0.020 0.000 0.861 129 R HN 0.394 nan 8.270 nan 0.000 0.440 130 V N -0.935 118.984 119.914 0.008 0.000 3.306 130 V HA 0.172 4.226 4.120 -0.110 0.000 0.264 130 V C 1.003 177.079 176.094 -0.031 0.000 1.149 130 V CA 0.387 62.680 62.300 -0.012 0.000 1.143 130 V CB -0.380 31.436 31.823 -0.011 0.000 0.767 130 V HN 0.027 nan 8.190 nan 0.000 0.476 131 L N 1.829 123.043 121.223 -0.015 0.000 2.367 131 L HA 0.303 4.577 4.340 -0.110 0.000 0.275 131 L C 0.706 177.559 176.870 -0.028 0.000 1.129 131 L CA 0.103 54.928 54.840 -0.025 0.000 0.839 131 L CB 0.738 42.800 42.059 0.005 0.000 1.133 131 L HN 0.202 nan 8.230 nan 0.000 0.453 132 K N 3.797 124.167 120.400 -0.051 0.000 2.138 132 K HA 0.279 4.533 4.320 -0.110 0.000 0.251 132 K C -2.287 174.324 176.600 0.019 0.000 1.015 132 K CA -1.595 54.678 56.287 -0.023 0.000 0.917 132 K CB 0.248 32.727 32.500 -0.034 0.000 1.021 132 K HN 0.267 nan 8.250 nan 0.000 0.485 133 P HA -0.021 nan 4.420 nan 0.000 0.268 133 P C 0.314 177.649 177.300 0.060 0.000 1.204 133 P CA 0.746 63.870 63.100 0.039 0.000 0.768 133 P CB 0.580 32.302 31.700 0.037 0.000 0.842 134 G N 1.803 110.634 108.800 0.053 0.000 2.175 134 G HA2 -0.165 3.729 3.960 -0.110 0.000 0.244 134 G HA3 -0.165 3.729 3.960 -0.110 0.000 0.244 134 G C 0.622 175.539 174.900 0.028 0.000 0.982 134 G CA -0.222 44.917 45.100 0.066 0.000 0.641 134 G HN 0.884 nan 8.290 nan 0.000 0.527 135 G N 0.073 108.892 108.800 0.031 0.000 2.483 135 G HA2 0.679 4.573 3.960 -0.110 0.000 0.248 135 G HA3 0.679 4.573 3.960 -0.110 0.000 0.248 135 G C 0.144 175.040 174.900 -0.008 0.000 1.248 135 G CA 0.754 45.866 45.100 0.020 0.000 0.838 135 G HN 1.598 nan 8.290 nan 0.000 0.566 136 A N 1.207 124.024 122.820 -0.005 0.000 2.355 136 A HA 0.636 4.890 4.320 -0.110 0.000 0.317 136 A C -0.775 176.840 177.584 0.052 0.000 1.094 136 A CA -0.647 51.391 52.037 0.002 0.000 0.764 136 A CB 1.768 20.747 19.000 -0.034 0.000 1.230 136 A HN 0.939 nan 8.150 nan 0.000 0.448 137 L N 2.819 124.084 121.223 0.069 0.000 2.276 137 L HA 0.584 4.857 4.340 -0.110 0.000 0.286 137 L C -0.975 175.964 176.870 0.115 0.000 1.061 137 L CA -0.047 54.858 54.840 0.108 0.000 0.807 137 L CB 0.574 42.716 42.059 0.139 0.000 1.177 137 L HN 0.562 nan 8.230 nan 0.000 0.429 138 L N 5.841 127.137 121.223 0.122 0.000 2.337 138 L HA 0.466 4.740 4.340 -0.110 0.000 0.269 138 L C -0.331 176.620 176.870 0.134 0.000 1.018 138 L CA -0.389 54.521 54.840 0.117 0.000 0.876 138 L CB 0.784 42.907 42.059 0.107 0.000 1.236 138 L HN 0.611 nan 8.230 nan 0.000 0.436 139 E N 2.161 122.472 120.200 0.184 0.000 2.197 139 E HA 0.601 4.884 4.350 -0.110 0.000 0.281 139 E C 0.058 176.789 176.600 0.218 0.000 0.995 139 E CA -0.502 56.050 56.400 0.254 0.000 0.808 139 E CB 2.209 32.164 29.700 0.425 0.000 1.093 139 E HN 0.626 nan 8.360 nan 0.000 0.394 140 G N 2.882 111.800 108.800 0.197 0.000 2.524 140 G HA2 0.634 4.528 3.960 -0.110 0.000 0.310 140 G HA3 0.634 4.528 3.960 -0.110 0.000 0.310 140 G C -1.723 173.075 174.900 -0.170 0.000 1.279 140 G CA -0.838 44.218 45.100 -0.072 0.000 0.974 140 G HN 0.577 nan 8.290 nan 0.000 0.484 141 W N 0.708 121.396 121.300 -1.020 0.000 3.296 141 W HA 0.617 5.208 4.660 -0.116 0.000 0.314 141 W C -1.139 175.091 176.519 -0.483 0.000 1.238 141 W CA -1.251 55.798 57.345 -0.493 0.000 1.193 141 W CB 0.975 30.459 29.460 0.040 0.000 1.383 141 W HN 0.370 nan 8.180 nan 0.000 0.545 142 D N 1.910 122.620 120.400 0.517 0.000 2.313 142 D HA 0.226 4.800 4.640 -0.110 0.000 0.247 142 D C -0.946 175.577 176.300 0.371 0.000 1.094 142 D CA -0.019 54.285 54.000 0.507 0.000 0.925 142 D CB 1.888 43.100 40.800 0.686 0.000 1.188 142 D HN 0.523 nan 8.370 nan 0.000 0.430 143 Q N 0.070 119.983 119.800 0.189 0.000 2.284 143 Q HA 0.564 4.838 4.340 -0.110 0.000 0.269 143 Q C -1.933 174.069 176.000 0.003 0.000 1.026 143 Q CA -0.710 55.171 55.803 0.129 0.000 0.831 143 Q CB 2.182 30.986 28.738 0.111 0.000 1.322 143 Q HN 0.529 nan 8.270 nan 0.000 0.419 144 A N 3.217 126.039 122.820 0.004 0.000 2.371 144 A HA 0.537 4.791 4.320 -0.110 0.000 0.311 144 A C -0.917 176.635 177.584 -0.054 0.000 1.068 144 A CA -0.626 51.382 52.037 -0.047 0.000 0.744 144 A CB 1.331 20.333 19.000 0.003 0.000 1.239 144 A HN 0.779 nan 8.150 nan 0.000 0.435 145 E N 1.127 121.279 120.200 -0.080 0.000 2.398 145 E HA 0.361 4.645 4.350 -0.110 0.000 0.263 145 E C 0.596 177.140 176.600 -0.093 0.000 1.046 145 E CA 0.095 56.436 56.400 -0.098 0.000 0.908 145 E CB 0.822 30.471 29.700 -0.086 0.000 0.963 145 E HN 0.820 nan 8.360 nan 0.000 0.431 146 A N 2.533 125.240 122.820 -0.188 0.000 2.540 146 A HA 0.266 4.520 4.320 -0.110 0.000 0.239 146 A C 0.164 177.718 177.584 -0.050 0.000 1.061 146 A CA 0.404 52.318 52.037 -0.206 0.000 0.758 146 A CB 0.113 18.818 19.000 -0.492 0.000 0.991 146 A HN 0.585 nan 8.150 nan 0.000 0.502 147 S N 1.176 116.915 115.700 0.066 0.000 2.776 147 S HA 0.695 5.099 4.470 -0.110 0.000 0.292 147 S C -2.607 171.958 174.600 -0.059 0.000 1.187 147 S CA -0.857 57.346 58.200 0.005 0.000 0.834 147 S CB 0.983 64.239 63.200 0.093 0.000 1.199 147 S HN 0.214 nan 8.310 nan 0.000 0.514 148 P HA -0.050 nan 4.420 nan 0.000 0.218 148 P C 1.327 178.468 177.300 -0.265 0.000 1.148 148 P CA 1.453 64.224 63.100 -0.547 0.000 0.822 148 P CB 0.049 30.965 31.700 -1.306 0.000 0.784 149 E N -1.565 118.591 120.200 -0.073 0.000 2.051 149 E HA -0.220 4.063 4.350 -0.110 0.000 0.192 149 E C 1.869 178.554 176.600 0.140 0.000 0.991 149 E CA 0.970 57.522 56.400 0.253 0.000 0.799 149 E CB -0.680 29.281 29.700 0.435 0.000 0.748 149 E HN 0.174 nan 8.360 nan 0.000 0.449 150 W N 1.456 122.757 121.300 0.001 0.000 2.338 150 W HA -0.197 4.338 4.660 -0.209 0.000 0.304 150 W C 2.176 178.670 176.519 -0.042 0.000 1.212 150 W CA 2.479 59.799 57.345 -0.042 0.000 1.264 150 W CB -0.523 28.899 29.460 -0.063 0.000 1.142 150 W HN 0.038 nan 8.180 nan 0.000 0.512 151 T N 1.484 116.126 114.554 0.146 0.000 2.684 151 T HA -0.254 4.030 4.350 -0.110 0.000 0.267 151 T C 1.864 176.480 174.700 -0.141 0.000 1.036 151 T CA 1.981 64.096 62.100 0.025 0.000 1.148 151 T CB -0.680 68.294 68.868 0.177 0.000 0.863 151 T HN 0.161 nan 8.240 nan 0.000 0.436 152 L N 0.619 121.831 121.223 -0.019 0.000 2.083 152 L HA -0.145 4.129 4.340 -0.110 0.000 0.209 152 L C 2.904 179.749 176.870 -0.042 0.000 1.083 152 L CA 1.369 56.227 54.840 0.029 0.000 0.752 152 L CB -0.578 41.548 42.059 0.112 0.000 0.899 152 L HN 0.319 nan 8.230 nan 0.000 0.433 153 Q N -0.497 119.216 119.800 -0.144 0.000 2.079 153 Q HA -0.247 4.027 4.340 -0.110 0.000 0.200 153 Q C 2.121 177.944 176.000 -0.294 0.000 0.974 153 Q CA 1.482 57.199 55.803 -0.143 0.000 0.840 153 Q CB -0.074 28.504 28.738 -0.267 0.000 0.898 153 Q HN 0.308 nan 8.270 nan 0.000 0.430 154 E N 1.159 120.941 120.200 -0.696 0.000 2.077 154 E HA -0.204 4.079 4.350 -0.110 0.000 0.193 154 E C 1.833 178.184 176.600 -0.415 0.000 0.989 154 E CA 1.207 57.172 56.400 -0.725 0.000 0.800 154 E CB -0.000 28.979 29.700 -1.201 0.000 0.746 154 E HN 0.043 nan 8.360 nan 0.000 0.452 155 R N -0.859 119.383 120.500 -0.430 0.000 2.120 155 R HA -0.102 4.172 4.340 -0.110 0.000 0.234 155 R C 2.006 178.119 176.300 -0.312 0.000 1.123 155 R CA 1.682 57.431 56.100 -0.584 0.000 0.975 155 R CB -0.918 28.851 30.300 -0.884 0.000 0.866 155 R HN 0.445 nan 8.270 nan 0.000 0.446 156 W N 0.661 121.866 121.300 -0.159 0.000 2.379 156 W HA -0.139 4.450 4.660 -0.118 0.000 0.307 156 W C 1.816 178.370 176.519 0.059 0.000 1.200 156 W CA 1.527 58.924 57.345 0.087 0.000 1.297 156 W CB -0.067 29.487 29.460 0.156 0.000 1.140 156 W HN -0.010 nan 8.180 nan 0.000 0.507 157 R N 0.101 120.843 120.500 0.404 0.000 2.083 157 R HA -0.177 4.097 4.340 -0.110 0.000 0.237 157 R C 2.435 178.708 176.300 -0.045 0.000 1.137 157 R CA 1.725 57.969 56.100 0.240 0.000 0.951 157 R CB -1.057 29.297 30.300 0.089 0.000 0.851 157 R HN 0.274 nan 8.270 nan 0.000 0.434 158 A N 0.842 123.548 122.820 -0.191 0.000 1.883 158 A HA -0.178 4.076 4.320 -0.110 0.000 0.217 158 A C 1.913 179.340 177.584 -0.262 0.000 1.186 158 A CA 1.361 53.228 52.037 -0.283 0.000 0.624 158 A CB -0.647 18.077 19.000 -0.460 0.000 0.822 158 A HN 0.190 nan 8.150 nan 0.000 0.444 159 F N 0.188 119.993 119.950 -0.241 0.000 2.134 159 F HA -0.092 4.370 4.527 -0.109 0.000 0.299 159 F C 2.844 178.471 175.800 -0.287 0.000 1.097 159 F CA 0.658 58.499 58.000 -0.264 0.000 1.264 159 F CB -0.962 37.847 39.000 -0.319 0.000 1.001 159 F HN 0.261 nan 8.300 nan 0.000 0.479 160 A N -0.063 122.613 122.820 -0.241 0.000 1.940 160 A HA -0.103 4.151 4.320 -0.110 0.000 0.219 160 A C 2.440 180.008 177.584 -0.027 0.000 1.176 160 A CA 1.948 53.818 52.037 -0.277 0.000 0.631 160 A CB -1.291 17.402 19.000 -0.513 0.000 0.814 160 A HN 0.314 nan 8.150 nan 0.000 0.446 161 A N -0.466 122.337 122.820 -0.030 0.000 1.898 161 A HA -0.138 4.116 4.320 -0.110 0.000 0.216 161 A C 1.895 179.478 177.584 -0.001 0.000 1.181 161 A CA 1.475 53.509 52.037 -0.005 0.000 0.620 161 A CB -0.502 18.480 19.000 -0.030 0.000 0.819 161 A HN 0.611 nan 8.150 nan 0.000 0.442 162 E N -0.266 119.933 120.200 -0.001 0.000 2.265 162 E HA -0.155 4.129 4.350 -0.110 0.000 0.196 162 E C 1.089 177.717 176.600 0.046 0.000 0.996 162 E CA 0.929 57.344 56.400 0.024 0.000 0.832 162 E CB -0.002 29.739 29.700 0.067 0.000 0.756 162 E HN 0.531 nan 8.360 nan 0.000 0.491 163 E N -0.709 119.536 120.200 0.074 0.000 2.479 163 E HA 0.038 4.322 4.350 -0.110 0.000 0.193 163 E C 0.979 177.702 176.600 0.206 0.000 1.049 163 E CA 0.481 56.965 56.400 0.140 0.000 0.870 163 E CB 0.951 30.738 29.700 0.145 0.000 0.944 163 E HN 0.352 nan 8.360 nan 0.000 0.492 164 G N 1.178 110.013 108.800 0.059 0.000 2.132 164 G HA2 -0.264 3.630 3.960 -0.110 0.000 0.228 164 G HA3 -0.264 3.630 3.960 -0.110 0.000 0.228 164 G C 0.016 174.646 174.900 -0.451 0.000 1.000 164 G CA -0.215 44.788 45.100 -0.162 0.000 0.693 164 G HN 0.217 nan 8.290 nan 0.000 0.515 165 F N 1.730 121.672 119.950 -0.014 0.000 2.564 165 F HA 0.349 4.808 4.527 -0.112 0.000 0.329 165 F C -1.760 174.052 175.800 0.020 0.000 1.458 165 F CA -1.903 56.101 58.000 0.007 0.000 1.117 165 F CB 1.723 40.727 39.000 0.005 0.000 1.383 165 F HN -0.042 nan 8.300 nan 0.000 0.571 166 P HA 0.199 nan 4.420 nan 0.000 0.271 166 P C -0.516 176.870 177.300 0.143 0.000 1.216 166 P CA 0.129 63.282 63.100 0.087 0.000 0.776 166 P CB 2.160 33.876 31.700 0.028 0.000 0.881 167 V N -0.450 119.570 119.914 0.177 0.000 3.001 167 V HA 0.544 4.598 4.120 -0.110 0.000 0.314 167 V C -0.031 176.149 176.094 0.143 0.000 1.099 167 V CA -1.299 61.131 62.300 0.216 0.000 0.989 167 V CB 1.693 33.742 31.823 0.377 0.000 1.040 167 V HN 0.521 nan 8.190 nan 0.000 0.434 168 E N 1.866 122.144 120.200 0.131 0.000 2.390 168 E HA 0.354 4.638 4.350 -0.110 0.000 0.261 168 E C -0.032 176.589 176.600 0.034 0.000 1.076 168 E CA -0.677 55.771 56.400 0.080 0.000 0.905 168 E CB 0.806 30.559 29.700 0.088 0.000 0.984 168 E HN 0.840 nan 8.360 nan 0.000 0.427 169 R N 1.853 122.358 120.500 0.008 0.000 2.532 169 R HA 0.433 4.707 4.340 -0.110 0.000 0.295 169 R C 0.276 176.573 176.300 -0.004 0.000 0.968 169 R CA 0.046 56.131 56.100 -0.026 0.000 0.916 169 R CB 1.066 31.365 30.300 -0.002 0.000 1.124 169 R HN 0.659 nan 8.270 nan 0.000 0.463 170 G N 3.536 112.328 108.800 -0.014 0.000 2.390 170 G HA2 -0.261 3.633 3.960 -0.110 0.000 0.299 170 G HA3 -0.261 3.633 3.960 -0.110 0.000 0.299 170 G C 0.541 175.445 174.900 0.007 0.000 1.002 170 G CA 0.383 45.480 45.100 -0.005 0.000 0.979 170 G HN 0.675 nan 8.290 nan 0.000 0.513 171 L N -0.460 120.793 121.223 0.051 0.000 2.046 171 L HA -0.089 4.185 4.340 -0.110 0.000 0.208 171 L C 2.251 179.189 176.870 0.114 0.000 1.077 171 L CA 2.771 57.667 54.840 0.093 0.000 0.747 171 L CB -0.663 41.491 42.059 0.158 0.000 0.896 171 L HN 0.691 nan 8.230 nan 0.000 0.432 172 H N -0.380 118.679 119.070 -0.018 0.000 2.321 172 H HA -0.166 4.322 4.556 -0.112 0.000 0.300 172 H C 2.101 177.325 175.328 -0.173 0.000 1.087 172 H CA 1.357 57.353 56.048 -0.087 0.000 1.319 172 H CB 0.427 30.023 29.762 -0.278 0.000 1.379 172 H HN 0.483 nan 8.280 nan 0.000 0.501 173 A N 1.412 124.110 122.820 -0.205 0.000 1.908 173 A HA -0.220 4.033 4.320 -0.110 0.000 0.218 173 A C 2.379 179.802 177.584 -0.268 0.000 1.181 173 A CA 1.869 53.724 52.037 -0.304 0.000 0.627 173 A CB -0.602 18.294 19.000 -0.172 0.000 0.818 173 A HN 0.480 nan 8.150 nan 0.000 0.445 174 K N -0.933 119.370 120.400 -0.161 0.000 2.026 174 K HA -0.196 4.058 4.320 -0.110 0.000 0.208 174 K C 2.251 178.719 176.600 -0.220 0.000 1.048 174 K CA 1.282 57.484 56.287 -0.143 0.000 0.929 174 K CB -0.194 32.268 32.500 -0.063 0.000 0.713 174 K HN 0.262 nan 8.250 nan 0.000 0.439 175 R N 0.835 121.204 120.500 -0.218 0.000 2.091 175 R HA -0.104 4.170 4.340 -0.110 0.000 0.238 175 R C 2.449 178.394 176.300 -0.593 0.000 1.136 175 R CA 1.122 57.003 56.100 -0.365 0.000 0.959 175 R CB -0.886 29.334 30.300 -0.132 0.000 0.856 175 R HN 0.331 nan 8.270 nan 0.000 0.437 176 L N 1.046 121.948 121.223 -0.536 0.000 2.042 176 L HA -0.213 4.061 4.340 -0.110 0.000 0.210 176 L C 2.395 178.953 176.870 -0.520 0.000 1.076 176 L CA 1.381 55.852 54.840 -0.615 0.000 0.749 176 L CB -0.378 41.153 42.059 -0.880 0.000 0.893 176 L HN 0.065 nan 8.230 nan 0.000 0.432 177 K N 0.227 120.378 120.400 -0.416 0.000 2.097 177 K HA -0.141 4.113 4.320 -0.110 0.000 0.205 177 K C 1.872 178.282 176.600 -0.316 0.000 1.050 177 K CA 1.257 57.364 56.287 -0.299 0.000 0.938 177 K CB -0.314 32.058 32.500 -0.213 0.000 0.718 177 K HN 0.472 nan 8.250 nan 0.000 0.442 178 E N 0.633 120.586 120.200 -0.412 0.000 2.106 178 E HA -0.095 4.188 4.350 -0.110 0.000 0.192 178 E C 2.072 178.296 176.600 -0.626 0.000 0.984 178 E CA 0.801 56.956 56.400 -0.409 0.000 0.806 178 E CB -0.054 29.416 29.700 -0.383 0.000 0.750 178 E HN -0.054 nan 8.360 nan 0.000 0.458 179 V N 1.599 120.916 119.914 -0.995 0.000 2.358 179 V HA -0.253 3.801 4.120 -0.110 0.000 0.246 179 V C 2.370 178.214 176.094 -0.416 0.000 1.047 179 V CA 1.954 63.682 62.300 -0.954 0.000 1.035 179 V CB -0.418 30.645 31.823 -1.266 0.000 0.658 179 V HN 0.288 nan 8.190 nan 0.000 0.452 180 E N 0.259 120.266 120.200 -0.322 0.000 2.085 180 E HA -0.266 4.018 4.350 -0.110 0.000 0.194 180 E C 2.155 178.689 176.600 -0.109 0.000 0.994 180 E CA 1.666 57.971 56.400 -0.157 0.000 0.801 180 E CB -0.066 29.560 29.700 -0.123 0.000 0.743 180 E HN 0.721 nan 8.360 nan 0.000 0.453 181 E N 0.083 120.209 120.200 -0.124 0.000 2.110 181 E HA -0.189 4.095 4.350 -0.110 0.000 0.193 181 E C 2.058 178.642 176.600 -0.025 0.000 0.988 181 E CA 0.872 57.235 56.400 -0.062 0.000 0.804 181 E CB -0.133 29.535 29.700 -0.054 0.000 0.745 181 E HN 0.352 nan 8.360 nan 0.000 0.458 182 A N 1.356 124.165 122.820 -0.019 0.000 1.898 182 A HA -0.129 4.125 4.320 -0.110 0.000 0.216 182 A C 2.220 179.819 177.584 0.025 0.000 1.181 182 A CA 0.901 52.968 52.037 0.051 0.000 0.620 182 A CB -0.603 18.501 19.000 0.173 0.000 0.819 182 A HN 0.112 nan 8.150 nan 0.000 0.442 183 L N -0.968 120.251 121.223 -0.007 0.000 2.042 183 L HA -0.225 4.049 4.340 -0.110 0.000 0.210 183 L C 2.901 179.778 176.870 0.011 0.000 1.076 183 L CA 1.596 56.441 54.840 0.008 0.000 0.749 183 L CB -0.502 41.558 42.059 0.001 0.000 0.893 183 L HN 0.370 nan 8.230 nan 0.000 0.432 184 R N -0.367 120.133 120.500 0.000 0.000 2.066 184 R HA -0.162 4.112 4.340 -0.110 0.000 0.232 184 R C 2.418 178.723 176.300 0.008 0.000 1.131 184 R CA 1.253 57.355 56.100 0.003 0.000 0.955 184 R CB -0.393 29.904 30.300 -0.004 0.000 0.851 184 R HN 0.286 nan 8.270 nan 0.000 0.432 185 R N 1.269 121.774 120.500 0.009 0.000 2.127 185 R HA -0.111 4.163 4.340 -0.110 0.000 0.238 185 R C 1.726 178.035 176.300 0.015 0.000 1.134 185 R CA 1.260 57.367 56.100 0.012 0.000 0.975 185 R CB -0.145 30.165 30.300 0.016 0.000 0.865 185 R HN 0.212 nan 8.270 nan 0.000 0.447 186 L N -0.415 120.820 121.223 0.020 0.000 2.599 186 L HA 0.198 4.472 4.340 -0.110 0.000 0.230 186 L C 1.150 178.032 176.870 0.020 0.000 1.141 186 L CA 0.549 55.402 54.840 0.022 0.000 0.877 186 L CB 0.335 42.413 42.059 0.031 0.000 1.009 186 L HN 0.570 nan 8.230 nan 0.000 0.447 187 G N -0.211 108.600 108.800 0.018 0.000 2.136 187 G HA2 -0.232 3.662 3.960 -0.110 0.000 0.242 187 G HA3 -0.232 3.662 3.960 -0.110 0.000 0.242 187 G C 0.496 175.408 174.900 0.019 0.000 0.989 187 G CA -0.038 45.072 45.100 0.017 0.000 0.682 187 G HN 0.142 nan 8.290 nan 0.000 0.522 188 L N 0.031 121.267 121.223 0.022 0.000 2.592 188 L HA 0.268 4.542 4.340 -0.110 0.000 0.227 188 L C 1.423 178.306 176.870 0.022 0.000 1.127 188 L CA 0.997 55.852 54.840 0.024 0.000 0.884 188 L CB -1.084 40.995 42.059 0.033 0.000 1.065 188 L HN 0.507 nan 8.230 nan 0.000 0.457 189 K N 0.758 121.169 120.400 0.019 0.000 4.430 189 K HA -0.161 4.093 4.320 -0.110 0.000 0.283 189 K C -2.150 174.463 176.600 0.022 0.000 0.845 189 K CA -0.148 56.150 56.287 0.018 0.000 0.819 189 K CB -1.289 31.221 32.500 0.017 0.000 1.735 189 K HN 0.278 nan 8.250 nan 0.000 0.429 190 P HA 0.038 nan 4.420 nan 0.000 0.268 190 P C -0.450 176.872 177.300 0.036 0.000 1.205 190 P CA 0.245 63.368 63.100 0.038 0.000 0.771 190 P CB 0.775 32.501 31.700 0.044 0.000 0.858 191 R N 1.824 122.348 120.500 0.039 0.000 2.532 191 R HA 0.479 4.753 4.340 -0.110 0.000 0.297 191 R C -0.395 175.923 176.300 0.030 0.000 0.984 191 R CA -0.436 55.682 56.100 0.030 0.000 0.884 191 R CB 1.778 32.091 30.300 0.022 0.000 1.182 191 R HN 0.394 nan 8.270 nan 0.000 0.442 192 T N 3.778 118.348 114.554 0.026 0.000 2.823 192 T HA 0.629 4.913 4.350 -0.110 0.000 0.279 192 T C -0.035 174.643 174.700 -0.038 0.000 0.998 192 T CA -0.814 61.284 62.100 -0.003 0.000 0.994 192 T CB 1.655 70.554 68.868 0.051 0.000 0.960 192 T HN 0.582 nan 8.240 nan 0.000 0.448 193 R N 1.252 121.700 120.500 -0.087 0.000 2.668 193 R HA 0.491 4.765 4.340 -0.110 0.000 0.272 193 R C -1.206 175.026 176.300 -0.113 0.000 1.019 193 R CA -1.006 55.051 56.100 -0.072 0.000 0.894 193 R CB 1.570 31.850 30.300 -0.034 0.000 1.228 193 R HN 0.580 nan 8.270 nan 0.000 0.460 194 E N 2.084 122.236 120.200 -0.081 0.000 2.257 194 E HA 0.109 4.393 4.350 -0.110 0.000 0.278 194 E C 0.439 177.030 176.600 -0.015 0.000 1.049 194 E CA -0.472 55.886 56.400 -0.070 0.000 0.876 194 E CB 1.281 30.957 29.700 -0.041 0.000 1.035 194 E HN 0.574 nan 8.360 nan 0.000 0.419 195 V N 1.437 121.363 119.914 0.021 0.000 3.661 195 V HA 0.558 4.612 4.120 -0.110 0.000 0.271 195 V C 0.313 176.447 176.094 0.067 0.000 1.315 195 V CA 0.384 62.712 62.300 0.046 0.000 1.072 195 V CB 0.111 31.968 31.823 0.057 0.000 0.830 195 V HN 0.538 nan 8.190 nan 0.000 0.443 196 A N 0.894 123.795 122.820 0.136 0.000 2.547 196 A HA 0.869 5.123 4.320 -0.110 0.000 0.297 196 A C -0.675 177.112 177.584 0.337 0.000 1.056 196 A CA -0.749 51.401 52.037 0.187 0.000 0.688 196 A CB 1.825 20.881 19.000 0.094 0.000 1.282 196 A HN 0.506 nan 8.150 nan 0.000 0.400 197 R N 1.321 122.036 120.500 0.357 0.000 2.522 197 R HA 0.650 4.924 4.340 -0.110 0.000 0.283 197 R C -1.567 174.982 176.300 0.415 0.000 1.074 197 R CA -0.408 55.868 56.100 0.293 0.000 0.925 197 R CB 1.174 31.539 30.300 0.109 0.000 1.205 197 R HN 1.285 nan 8.270 nan 0.000 0.436 198 W N 2.568 123.877 121.300 0.014 0.000 2.988 198 W HA 0.571 5.174 4.660 -0.095 0.000 0.355 198 W C -1.844 174.696 176.519 0.035 0.000 1.233 198 W CA -1.322 56.034 57.345 0.018 0.000 1.176 198 W CB 0.963 30.431 29.460 0.013 0.000 1.477 198 W HN 0.561 nan 8.180 nan 0.000 0.582 199 R N 1.581 122.186 120.500 0.174 0.000 2.561 199 R HA 0.465 4.739 4.340 -0.110 0.000 0.297 199 R C -0.792 175.602 176.300 0.158 0.000 0.969 199 R CA -0.346 55.783 56.100 0.048 0.000 0.879 199 R CB 2.003 32.333 30.300 0.050 0.000 1.178 199 R HN 0.774 nan 8.270 nan 0.000 0.445 200 E N 2.689 122.949 120.200 0.099 0.000 2.404 200 E HA 0.403 4.687 4.350 -0.110 0.000 0.264 200 E C -1.091 175.536 176.600 0.045 0.000 0.946 200 E CA -1.143 55.333 56.400 0.126 0.000 0.806 200 E CB 1.968 31.780 29.700 0.187 0.000 1.334 200 E HN 0.497 nan 8.360 nan 0.000 0.429 201 E N 0.417 120.619 120.200 0.005 0.000 2.210 201 E HA 0.502 4.786 4.350 -0.110 0.000 0.266 201 E C -1.050 175.440 176.600 -0.183 0.000 0.883 201 E CA -0.879 55.469 56.400 -0.086 0.000 0.761 201 E CB 2.443 32.110 29.700 -0.055 0.000 1.156 201 E HN 0.204 nan 8.360 nan 0.000 0.412 202 R N 0.870 121.098 120.500 -0.453 0.000 2.807 202 R HA 0.430 4.704 4.340 -0.110 0.000 0.276 202 R C -0.976 174.810 176.300 -0.856 0.000 0.979 202 R CA -0.410 55.366 56.100 -0.539 0.000 0.928 202 R CB 1.566 31.572 30.300 -0.490 0.000 1.191 202 R HN 0.646 nan 8.270 nan 0.000 0.471 203 T N 0.230 114.534 114.554 -0.418 0.000 2.945 203 T HA 0.470 4.754 4.350 -0.110 0.000 0.286 203 T C -2.058 172.624 174.700 -0.031 0.000 1.025 203 T CA -2.075 59.880 62.100 -0.243 0.000 1.039 203 T CB 1.854 70.683 68.868 -0.065 0.000 1.068 203 T HN 0.361 nan 8.240 nan 0.000 0.497 204 P HA -0.031 nan 4.420 nan 0.000 0.218 204 P C 1.622 178.939 177.300 0.028 0.000 1.149 204 P CA 0.714 63.941 63.100 0.211 0.000 0.817 204 P CB 0.087 31.883 31.700 0.161 0.000 0.785 205 R N 0.542 121.055 120.500 0.022 0.000 2.081 205 R HA -0.162 4.111 4.340 -0.110 0.000 0.235 205 R C 1.953 178.299 176.300 0.076 0.000 1.131 205 R CA 1.637 57.764 56.100 0.044 0.000 0.960 205 R CB -0.401 29.989 30.300 0.149 0.000 0.856 205 R HN 0.188 nan 8.270 nan 0.000 0.436 206 E N -0.080 120.155 120.200 0.057 0.000 2.051 206 E HA -0.190 4.094 4.350 -0.110 0.000 0.192 206 E C 1.974 178.621 176.600 0.080 0.000 0.991 206 E CA 1.263 57.698 56.400 0.058 0.000 0.799 206 E CB -0.131 29.578 29.700 0.014 0.000 0.748 206 E HN 0.485 nan 8.360 nan 0.000 0.449 207 A N 1.109 123.988 122.820 0.098 0.000 1.930 207 A HA -0.135 4.119 4.320 -0.110 0.000 0.217 207 A C 2.193 179.843 177.584 0.110 0.000 1.175 207 A CA 0.955 53.082 52.037 0.151 0.000 0.627 207 A CB -0.564 18.571 19.000 0.224 0.000 0.815 207 A HN 0.114 nan 8.150 nan 0.000 0.443 208 L N -0.722 120.513 121.223 0.020 0.000 2.046 208 L HA -0.201 4.073 4.340 -0.110 0.000 0.208 208 L C 2.594 179.544 176.870 0.133 0.000 1.077 208 L CA 1.649 56.460 54.840 -0.049 0.000 0.747 208 L CB -0.582 41.174 42.059 -0.506 0.000 0.896 208 L HN 0.463 nan 8.230 nan 0.000 0.432 209 E N 0.070 120.378 120.200 0.179 0.000 2.110 209 E HA -0.204 4.080 4.350 -0.110 0.000 0.193 209 E C 2.298 178.948 176.600 0.083 0.000 0.988 209 E CA 1.031 57.550 56.400 0.199 0.000 0.804 209 E CB -0.148 29.659 29.700 0.178 0.000 0.745 209 E HN 0.499 nan 8.360 nan 0.000 0.458 210 A N 1.164 124.003 122.820 0.030 0.000 1.933 210 A HA -0.166 4.088 4.320 -0.110 0.000 0.218 210 A C 2.170 179.633 177.584 -0.201 0.000 1.175 210 A CA 1.074 53.037 52.037 -0.123 0.000 0.628 210 A CB -0.559 18.388 19.000 -0.088 0.000 0.814 210 A HN 0.128 nan 8.150 nan 0.000 0.444 211 L N -1.014 120.190 121.223 -0.032 0.000 2.056 211 L HA -0.130 4.144 4.340 -0.110 0.000 0.207 211 L C 2.889 179.813 176.870 0.091 0.000 1.078 211 L CA 1.377 56.169 54.840 -0.081 0.000 0.749 211 L CB -0.494 41.552 42.059 -0.022 0.000 0.901 211 L HN 0.473 nan 8.230 nan 0.000 0.433 212 S N 0.095 115.916 115.700 0.201 0.000 2.370 212 S HA -0.229 4.175 4.470 -0.110 0.000 0.226 212 S C 1.766 176.501 174.600 0.225 0.000 1.033 212 S CA 1.660 60.052 58.200 0.320 0.000 1.011 212 S CB -0.153 63.223 63.200 0.294 0.000 0.852 212 S HN 0.475 nan 8.310 nan 0.000 0.457 213 E N 0.244 120.466 120.200 0.037 0.000 2.418 213 E HA 0.091 4.375 4.350 -0.110 0.000 0.197 213 E C 0.271 176.762 176.600 -0.182 0.000 1.026 213 E CA 0.074 56.434 56.400 -0.067 0.000 0.862 213 E CB -0.024 29.614 29.700 -0.104 0.000 0.799 213 E HN 0.390 nan 8.360 nan 0.000 0.518 214 R N -0.043 120.306 120.500 -0.252 0.000 3.332 214 R HA -0.204 4.070 4.340 -0.110 0.000 0.263 214 R C 0.696 176.748 176.300 -0.412 0.000 1.053 214 R CA -0.009 55.860 56.100 -0.385 0.000 0.705 214 R CB -2.072 27.991 30.300 -0.396 0.000 1.166 214 R HN 0.279 nan 8.270 nan 0.000 0.427 215 L N -0.384 120.505 121.223 -0.556 0.000 2.201 215 L HA -0.097 4.177 4.340 -0.110 0.000 0.212 215 L C 0.599 177.123 176.870 -0.575 0.000 1.105 215 L CA 1.345 55.825 54.840 -0.599 0.000 0.775 215 L CB -0.113 41.468 42.059 -0.796 0.000 0.913 215 L HN 0.184 nan 8.230 nan 0.000 0.440 216 Y N -0.859 119.215 120.300 -0.376 0.000 2.323 216 Y HA 0.085 4.571 4.550 -0.105 0.000 0.331 216 Y C 1.661 177.325 175.900 -0.394 0.000 1.092 216 Y CA -0.800 57.057 58.100 -0.404 0.000 1.150 216 Y CB 1.000 39.029 38.460 -0.718 0.000 1.200 216 Y HN -0.052 nan 8.280 nan 0.000 0.472 217 S N 2.437 118.154 115.700 0.028 0.000 2.387 217 S HA -0.313 4.091 4.470 -0.110 0.000 0.230 217 S C 1.705 176.327 174.600 0.037 0.000 1.035 217 S CA 1.786 60.004 58.200 0.030 0.000 1.014 217 S CB -1.197 62.070 63.200 0.111 0.000 0.836 217 S HN 0.742 nan 8.310 nan 0.000 0.466 218 F N 3.134 123.123 119.950 0.066 0.000 2.494 218 F HA 0.120 4.580 4.527 -0.112 0.000 0.298 218 F C 2.022 177.824 175.800 0.004 0.000 1.106 218 F CA 0.922 58.952 58.000 0.049 0.000 1.452 218 F CB -1.286 37.730 39.000 0.026 0.000 1.085 218 F HN 0.343 nan 8.300 nan 0.000 0.569 219 T N -3.222 110.976 114.554 -0.592 0.000 3.069 219 T HA 0.142 4.426 4.350 -0.110 0.000 0.252 219 T C 1.170 175.796 174.700 -0.123 0.000 1.053 219 T CA -0.048 61.722 62.100 -0.551 0.000 0.964 219 T CB -0.249 68.019 68.868 -0.999 0.000 1.005 219 T HN 0.507 nan 8.240 nan 0.000 0.532 220 Q N 0.575 120.319 119.800 -0.093 0.000 2.280 220 Q HA 0.343 4.617 4.340 -0.110 0.000 0.202 220 Q C 2.019 178.036 176.000 0.028 0.000 0.903 220 Q CA 0.117 55.886 55.803 -0.057 0.000 0.948 220 Q CB 0.253 28.942 28.738 -0.082 0.000 1.058 220 Q HN 0.671 nan 8.270 nan 0.000 0.493 221 G N 0.231 109.100 108.800 0.116 0.000 2.486 221 G HA2 0.023 3.917 3.960 -0.110 0.000 0.210 221 G HA3 0.023 3.917 3.960 -0.110 0.000 0.210 221 G C 0.450 175.422 174.900 0.120 0.000 1.168 221 G CA -0.108 45.075 45.100 0.138 0.000 0.820 221 G HN 0.078 nan 8.290 nan 0.000 0.544 222 L N 1.362 122.657 121.223 0.119 0.000 2.483 222 L HA 0.265 4.539 4.340 -0.110 0.000 0.277 222 L C -2.091 174.704 176.870 -0.125 0.000 1.248 222 L CA -1.029 53.760 54.840 -0.086 0.000 0.825 222 L CB -0.182 41.814 42.059 -0.106 0.000 1.096 222 L HN -0.017 nan 8.230 nan 0.000 0.512 223 P HA 0.176 nan 4.420 nan 0.000 0.285 223 P C 0.135 177.381 177.300 -0.091 0.000 1.259 223 P CA -0.477 62.531 63.100 -0.154 0.000 0.794 223 P CB 0.952 32.534 31.700 -0.196 0.000 0.940 224 E N 4.878 125.060 120.200 -0.031 0.000 2.136 224 E HA -0.222 4.062 4.350 -0.110 0.000 0.202 224 E C -0.840 175.784 176.600 0.040 0.000 1.019 224 E CA 2.500 58.918 56.400 0.029 0.000 0.819 224 E CB -1.702 28.007 29.700 0.015 0.000 0.739 224 E HN 0.458 nan 8.360 nan 0.000 0.458 225 P HA -0.118 nan 4.420 nan 0.000 0.217 225 P C 1.351 178.615 177.300 -0.060 0.000 1.150 225 P CA 1.040 64.122 63.100 -0.031 0.000 0.832 225 P CB 0.090 31.767 31.700 -0.039 0.000 0.787 226 V N -0.668 119.175 119.914 -0.119 0.000 2.358 226 V HA -0.264 3.790 4.120 -0.110 0.000 0.246 226 V C 2.486 178.508 176.094 -0.121 0.000 1.047 226 V CA 1.783 63.975 62.300 -0.180 0.000 1.035 226 V CB -1.431 30.135 31.823 -0.428 0.000 0.658 226 V HN 0.294 nan 8.190 nan 0.000 0.452 227 H N 0.921 119.921 119.070 -0.118 0.000 2.319 227 H HA -0.211 4.278 4.556 -0.112 0.000 0.299 227 H C 2.266 177.605 175.328 0.019 0.000 1.092 227 H CA 2.059 58.109 56.048 0.003 0.000 1.302 227 H CB 0.038 29.858 29.762 0.097 0.000 1.373 227 H HN 0.382 nan 8.280 nan 0.000 0.497 228 A N 1.649 124.427 122.820 -0.070 0.000 1.917 228 A HA -0.190 4.064 4.320 -0.110 0.000 0.219 228 A C 2.624 180.125 177.584 -0.138 0.000 1.182 228 A CA 1.570 53.544 52.037 -0.105 0.000 0.633 228 A CB -0.586 18.401 19.000 -0.023 0.000 0.819 228 A HN 0.435 nan 8.150 nan 0.000 0.448 229 R N -0.693 119.728 120.500 -0.132 0.000 2.092 229 R HA 0.021 4.295 4.340 -0.110 0.000 0.231 229 R C 0.846 177.012 176.300 -0.222 0.000 1.119 229 R CA 0.669 56.681 56.100 -0.146 0.000 0.970 229 R CB -0.513 29.715 30.300 -0.120 0.000 0.864 229 R HN 0.405 nan 8.270 nan 0.000 0.440 233 R N 1.049 121.404 120.500 -0.242 0.000 2.081 233 R HA -0.049 4.225 4.340 -0.110 0.000 0.235 233 R C 2.392 178.513 176.300 -0.298 0.000 1.131 233 R CA 1.273 57.113 56.100 -0.433 0.000 0.960 233 R CB -0.221 29.464 30.300 -1.025 0.000 0.856 233 R HN 0.042 nan 8.270 nan 0.000 0.436 234 L N -0.167 120.908 121.223 -0.248 0.000 2.017 234 L HA -0.129 4.145 4.340 -0.110 0.000 0.208 234 L C 1.754 178.769 176.870 0.242 0.000 1.073 234 L CA 1.697 56.644 54.840 0.178 0.000 0.745 234 L CB -0.520 41.677 42.059 0.231 0.000 0.894 234 L HN 0.163 nan 8.230 nan 0.000 0.432 235 W N -0.450 120.920 121.300 0.117 0.000 2.338 235 W HA -0.212 4.396 4.660 -0.087 0.000 0.304 235 W C 2.578 179.169 176.519 0.121 0.000 1.212 235 W CA 2.305 59.721 57.345 0.118 0.000 1.264 235 W CB -0.627 28.867 29.460 0.058 0.000 1.142 235 W HN 0.290 nan 8.180 nan 0.000 0.512 236 A N -1.120 121.887 122.820 0.312 0.000 1.877 236 A HA -0.245 4.009 4.320 -0.110 0.000 0.216 236 A C 1.627 179.346 177.584 0.225 0.000 1.186 236 A CA 1.541 53.709 52.037 0.218 0.000 0.620 236 A CB -1.546 17.540 19.000 0.144 0.000 0.822 236 A HN 0.492 nan 8.150 nan 0.000 0.443 237 W N 0.655 122.021 121.300 0.110 0.000 2.358 237 W HA -0.135 4.432 4.660 -0.155 0.000 0.303 237 W C 2.450 179.021 176.519 0.086 0.000 1.208 237 W CA 2.264 59.693 57.345 0.139 0.000 1.274 237 W CB -0.162 29.463 29.460 0.275 0.000 1.138 237 W HN 0.361 nan 8.180 nan 0.000 0.515 238 A N 0.205 123.158 122.820 0.221 0.000 1.902 238 A HA -0.225 4.029 4.320 -0.110 0.000 0.217 238 A C 1.816 179.352 177.584 -0.080 0.000 1.181 238 A CA 1.909 53.950 52.037 0.007 0.000 0.623 238 A CB -0.861 18.138 19.000 -0.001 0.000 0.818 238 A HN 0.479 nan 8.150 nan 0.000 0.443 239 E N -0.251 119.958 120.200 0.016 0.000 2.110 239 E HA -0.107 4.177 4.350 -0.110 0.000 0.193 239 E C 2.266 178.839 176.600 -0.046 0.000 0.988 239 E CA 0.929 57.344 56.400 0.026 0.000 0.804 239 E CB -0.262 29.500 29.700 0.104 0.000 0.745 239 E HN 0.628 nan 8.360 nan 0.000 0.458 240 A N 1.449 124.213 122.820 -0.094 0.000 1.897 240 A HA -0.144 4.110 4.320 -0.110 0.000 0.215 240 A C 1.891 179.338 177.584 -0.227 0.000 1.181 240 A CA 1.064 53.020 52.037 -0.135 0.000 0.620 240 A CB -0.028 18.897 19.000 -0.125 0.000 0.821 240 A HN 0.037 nan 8.150 nan 0.000 0.443 241 E N -0.527 119.430 120.200 -0.406 0.000 2.340 241 E HA 0.158 4.441 4.350 -0.110 0.000 0.194 241 E C 1.538 177.957 176.600 -0.302 0.000 0.996 241 E CA 0.378 56.498 56.400 -0.467 0.000 0.869 241 E CB 0.073 29.200 29.700 -0.955 0.000 0.835 241 E HN 0.622 nan 8.360 nan 0.000 0.493 242 L N -0.763 120.327 121.223 -0.221 0.000 2.672 242 L HA 0.235 4.508 4.340 -0.110 0.000 0.236 242 L C 1.422 178.262 176.870 -0.050 0.000 1.092 242 L CA 0.364 55.135 54.840 -0.114 0.000 0.887 242 L CB 0.192 42.206 42.059 -0.075 0.000 1.168 242 L HN 0.188 nan 8.230 nan 0.000 0.502 243 G N 0.888 109.661 108.800 -0.045 0.000 2.595 243 G HA2 -0.365 3.529 3.960 -0.110 0.000 0.297 243 G HA3 -0.365 3.529 3.960 -0.110 0.000 0.297 243 G C 0.085 174.997 174.900 0.020 0.000 1.181 243 G CA 0.259 45.353 45.100 -0.010 0.000 0.963 243 G HN 0.303 nan 8.290 nan 0.000 0.541 244 D N 2.316 122.735 120.400 0.031 0.000 2.348 244 D HA 0.346 4.920 4.640 -0.110 0.000 0.259 244 D C 1.925 178.264 176.300 0.065 0.000 1.296 244 D CA -0.047 53.983 54.000 0.049 0.000 0.931 244 D CB 0.010 40.838 40.800 0.046 0.000 1.067 244 D HN 0.376 nan 8.370 nan 0.000 0.503 245 L N 2.299 123.566 121.223 0.074 0.000 2.549 245 L HA -0.057 4.217 4.340 -0.110 0.000 0.229 245 L C 1.044 177.964 176.870 0.082 0.000 1.158 245 L CA 0.614 55.500 54.840 0.078 0.000 0.842 245 L CB 0.026 42.143 42.059 0.096 0.000 0.952 245 L HN 0.252 nan 8.230 nan 0.000 0.452 246 D N -0.248 120.197 120.400 0.075 0.000 2.369 246 D HA 0.037 4.611 4.640 -0.110 0.000 0.211 246 D C 0.825 177.150 176.300 0.041 0.000 1.077 246 D CA 0.082 54.117 54.000 0.057 0.000 0.842 246 D CB 0.361 41.196 40.800 0.057 0.000 0.947 246 D HN 0.174 nan 8.370 nan 0.000 0.509 247 R N 2.530 123.065 120.500 0.058 0.000 2.298 247 R HA 0.187 4.461 4.340 -0.110 0.000 0.310 247 R C -2.519 173.810 176.300 0.049 0.000 1.068 247 R CA -1.098 55.037 56.100 0.059 0.000 0.957 247 R CB 0.891 31.240 30.300 0.081 0.000 1.003 247 R HN -0.140 nan 8.270 nan 0.000 0.454 248 P HA 0.147 nan 4.420 nan 0.000 0.278 248 P C -1.283 176.016 177.300 -0.002 0.000 1.238 248 P CA -0.181 62.858 63.100 -0.102 0.000 0.794 248 P CB 0.626 32.273 31.700 -0.089 0.000 0.955 249 F N 0.215 120.187 119.950 0.036 0.000 2.603 249 F HA 0.772 5.372 4.527 0.121 0.000 0.317 249 F C -2.895 172.925 175.800 0.035 0.000 1.066 249 F CA -3.507 54.512 58.000 0.033 0.000 0.941 249 F CB 0.541 39.561 39.000 0.034 0.000 1.291 249 F HN 0.067 nan 8.300 nan 0.000 0.472 250 P HA 0.345 nan 4.420 nan 0.000 0.277 250 P C -1.165 176.282 177.300 0.244 0.000 1.240 250 P CA -0.378 62.828 63.100 0.177 0.000 0.798 250 P CB 2.210 33.978 31.700 0.113 0.000 0.979 251 V N 1.971 121.959 119.914 0.123 0.000 2.447 251 V HA 0.216 4.270 4.120 -0.110 0.000 0.292 251 V C 0.032 176.105 176.094 -0.036 0.000 1.021 251 V CA -0.543 61.815 62.300 0.096 0.000 0.850 251 V CB 1.282 33.170 31.823 0.108 0.000 1.005 251 V HN 0.445 nan 8.190 nan 0.000 0.426 252 E N 4.437 124.598 120.200 -0.065 0.000 2.194 252 E HA 0.477 4.761 4.350 -0.110 0.000 0.284 252 E C -0.460 175.974 176.600 -0.276 0.000 1.035 252 E CA 0.076 56.385 56.400 -0.152 0.000 0.836 252 E CB 0.728 30.372 29.700 -0.092 0.000 1.070 252 E HN 0.572 nan 8.360 nan 0.000 0.401 253 K N 3.077 123.148 120.400 -0.549 0.000 2.400 253 K HA 0.645 4.899 4.320 -0.110 0.000 0.246 253 K C -0.495 175.622 176.600 -0.804 0.000 0.995 253 K CA -1.099 54.712 56.287 -0.793 0.000 0.840 253 K CB 2.335 34.027 32.500 -1.347 0.000 1.293 253 K HN 0.520 nan 8.250 nan 0.000 0.445 254 R N 0.115 120.298 120.500 -0.529 0.000 2.734 254 R HA 0.498 4.772 4.340 -0.110 0.000 0.271 254 R C -1.787 174.577 176.300 0.107 0.000 1.021 254 R CA -0.861 55.149 56.100 -0.151 0.000 0.893 254 R CB 0.999 31.251 30.300 -0.080 0.000 1.244 254 R HN 0.481 nan 8.270 nan 0.000 0.464 255 F N 2.322 122.341 119.950 0.115 0.000 2.493 255 F HA 0.495 4.955 4.527 -0.112 0.000 0.329 255 F C -1.292 174.387 175.800 -0.203 0.000 1.126 255 F CA -1.061 56.948 58.000 0.015 0.000 0.937 255 F CB 1.668 40.695 39.000 0.045 0.000 1.146 255 F HN 0.288 nan 8.300 nan 0.000 0.442 256 L N 6.208 126.864 121.223 -0.946 0.000 2.331 256 L HA 0.557 4.831 4.340 -0.110 0.000 0.275 256 L C -1.043 175.224 176.870 -1.005 0.000 1.022 256 L CA -1.054 53.221 54.840 -0.942 0.000 0.812 256 L CB 1.456 42.706 42.059 -1.349 0.000 1.257 256 L HN 0.591 nan 8.230 nan 0.000 0.435 257 L N 3.217 124.122 121.223 -0.529 0.000 2.376 257 L HA 0.517 4.791 4.340 -0.110 0.000 0.275 257 L C -0.396 176.358 176.870 -0.194 0.000 0.987 257 L CA -0.292 54.379 54.840 -0.280 0.000 0.828 257 L CB 1.519 43.553 42.059 -0.042 0.000 1.249 257 L HN 0.633 nan 8.230 nan 0.000 0.409 258 R N 4.273 124.731 120.500 -0.070 0.000 2.310 258 R HA 0.744 5.018 4.340 -0.110 0.000 0.324 258 R C -1.770 174.589 176.300 0.098 0.000 0.955 258 R CA -0.539 55.608 56.100 0.077 0.000 0.830 258 R CB 1.375 31.847 30.300 0.288 0.000 1.154 258 R HN 0.535 nan 8.270 nan 0.000 0.458 259 V N 3.560 123.511 119.914 0.063 0.000 2.417 259 V HA 0.404 4.458 4.120 -0.110 0.000 0.291 259 V C -0.504 175.618 176.094 0.047 0.000 1.024 259 V CA -0.534 61.798 62.300 0.054 0.000 0.861 259 V CB 1.819 33.658 31.823 0.026 0.000 0.985 259 V HN 0.800 nan 8.190 nan 0.000 0.436 260 S N 4.914 120.646 115.700 0.052 0.000 2.502 260 S HA 0.663 5.067 4.470 -0.110 0.000 0.304 260 S C -0.449 174.163 174.600 0.020 0.000 1.097 260 S CA -0.732 57.493 58.200 0.042 0.000 1.045 260 S CB 1.724 64.962 63.200 0.063 0.000 1.019 260 S HN 0.724 nan 8.310 nan 0.000 0.481 261 R N 2.340 122.841 120.500 0.002 0.000 2.562 261 R HA 0.571 4.845 4.340 -0.110 0.000 0.298 261 R C -1.000 175.302 176.300 0.003 0.000 0.961 261 R CA -0.674 55.414 56.100 -0.019 0.000 0.881 261 R CB 0.629 30.890 30.300 -0.065 0.000 1.159 261 R HN 0.459 nan 8.270 nan 0.000 0.450 262 L N 0.000 121.228 121.223 0.008 0.000 2.949 262 L HA 0.000 4.274 4.340 -0.110 0.000 0.249 262 L CA 0.000 54.851 54.840 0.019 0.000 0.813 262 L CB 0.000 42.072 42.059 0.022 0.000 0.961 262 L HN 0.000 nan 8.230 nan 0.000 0.502