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 3glg_1_I DATA FIRST_RESID 2 DATA SEQUENCE SYQVLARKWR PQTFADVVGQ EHVLTALANG LSLGRIHHAY LFSGTRGVGK DATA SEQUENCE TSIARLLAKG LNCETGITAT PCGVCDNCRE IEQGRFVDLI EIDAASRTKV DATA SEQUENCE EDTRDLLDNV QYAPARGRFK VYLIDEVHML SRHSFNALLK TLEEPPEHVK DATA SEQUENCE FLLATADPQK LPVTILSRCL QFHLKALDVE QIRHQLEHIL NEEHIAHEPR DATA SEQUENCE ALQLLARAAE GSLRDALSLT DQAIASGDGQ VSTQAVSAML GTLDDDQALS DATA SEQUENCE LVEAMVEANG ERVMALINEA AARGIEWEAL LVEMLGLLHR IAMVQLSPAA DATA SEQUENCE LGNDMAAIEL RMRELARTIP PTDIQLYYQT LLIGRKELPY APDRRMGVEM DATA SEQUENCE TLLRALAFHP RM 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.640 174.600 0.066 0.000 1.055 2 S CA 0.000 58.230 58.200 0.049 0.000 1.107 2 S CB 0.000 63.208 63.200 0.014 0.000 0.593 3 Y N 3.095 123.392 120.300 -0.004 0.000 2.457 3 Y HA 0.524 5.073 4.550 -0.002 0.000 0.341 3 Y C 0.187 176.088 175.900 0.002 0.000 1.240 3 Y CA 0.845 58.945 58.100 0.001 0.000 1.437 3 Y CB 0.533 38.999 38.460 0.009 0.000 1.328 3 Y HN 0.487 nan 8.280 nan 0.000 0.588 4 Q N 3.588 122.672 119.800 -1.193 0.000 2.353 4 Q HA 0.369 4.708 4.340 -0.002 0.000 0.275 4 Q C -1.249 174.105 176.000 -1.078 0.000 1.029 4 Q CA -1.180 54.080 55.803 -0.905 0.000 0.848 4 Q CB 2.442 30.943 28.738 -0.395 0.000 1.390 4 Q HN 0.576 nan 8.270 nan 0.000 0.401 5 V N 2.958 122.553 119.914 -0.531 0.000 2.975 5 V HA -0.206 3.913 4.120 -0.002 0.000 0.300 5 V C 1.532 177.593 176.094 -0.055 0.000 1.186 5 V CA 0.668 62.884 62.300 -0.140 0.000 1.311 5 V CB -0.087 31.726 31.823 -0.017 0.000 0.917 5 V HN 0.716 nan 8.190 nan 0.000 0.512 6 L N 4.444 125.727 121.223 0.099 0.000 1.990 6 L HA -0.204 4.135 4.340 -0.002 0.000 0.213 6 L C 2.582 179.574 176.870 0.202 0.000 1.072 6 L CA 2.519 57.505 54.840 0.243 0.000 0.755 6 L CB -1.292 40.888 42.059 0.200 0.000 0.889 6 L HN 0.868 nan 8.230 nan 0.000 0.432 7 A N -1.102 121.779 122.820 0.102 0.000 2.067 7 A HA -0.327 3.992 4.320 -0.002 0.000 0.224 7 A C 2.553 180.172 177.584 0.059 0.000 1.172 7 A CA 2.581 54.659 52.037 0.069 0.000 0.662 7 A CB -0.570 18.453 19.000 0.039 0.000 0.814 7 A HN 0.467 nan 8.150 nan 0.000 0.468 8 R N -1.832 118.686 120.500 0.029 0.000 2.140 8 R HA 0.123 4.462 4.340 -0.002 0.000 0.200 8 R C 2.213 178.484 176.300 -0.049 0.000 1.069 8 R CA 0.658 56.747 56.100 -0.019 0.000 1.088 8 R CB -0.145 30.118 30.300 -0.061 0.000 1.012 8 R HN 0.449 nan 8.270 nan 0.000 0.500 9 K N -0.167 120.178 120.400 -0.091 0.000 2.077 9 K HA -0.196 4.123 4.320 -0.002 0.000 0.213 9 K C 0.784 177.230 176.600 -0.256 0.000 1.051 9 K CA 2.084 58.239 56.287 -0.219 0.000 0.929 9 K CB -0.142 32.189 32.500 -0.282 0.000 0.715 9 K HN 0.227 nan 8.250 nan 0.000 0.451 10 W N 1.636 122.911 121.300 -0.041 0.000 3.388 10 W HA 0.170 4.829 4.660 -0.002 0.000 0.324 10 W C 0.054 176.553 176.519 -0.034 0.000 1.250 10 W CA -0.709 56.621 57.345 -0.026 0.000 1.809 10 W CB 0.147 29.598 29.460 -0.014 0.000 1.083 10 W HN 0.019 nan 8.180 nan 0.000 0.685 11 R N 2.668 123.219 120.500 0.084 0.000 2.502 11 R HA 0.033 4.372 4.340 -0.002 0.000 0.292 11 R C -2.285 174.034 176.300 0.032 0.000 0.998 11 R CA -1.224 54.901 56.100 0.042 0.000 1.056 11 R CB 0.212 30.510 30.300 -0.004 0.000 0.939 11 R HN -0.165 nan 8.270 nan 0.000 0.411 12 P HA -0.001 nan 4.420 nan 0.000 0.267 12 P C -0.593 176.713 177.300 0.011 0.000 1.205 12 P CA 0.029 63.148 63.100 0.031 0.000 0.765 12 P CB 1.012 32.716 31.700 0.006 0.000 0.828 13 Q N 0.446 120.253 119.800 0.011 0.000 2.246 13 Q HA 0.116 4.455 4.340 -0.002 0.000 0.222 13 Q C 0.373 176.375 176.000 0.004 0.000 0.851 13 Q CA 0.705 56.503 55.803 -0.009 0.000 0.945 13 Q CB 0.656 29.372 28.738 -0.037 0.000 1.122 13 Q HN 0.598 nan 8.270 nan 0.000 0.508 14 T N -4.287 110.289 114.554 0.036 0.000 2.903 14 T HA 0.459 4.808 4.350 -0.002 0.000 0.299 14 T C 0.801 175.606 174.700 0.175 0.000 1.093 14 T CA -0.719 61.418 62.100 0.061 0.000 1.002 14 T CB 0.514 69.393 68.868 0.018 0.000 1.127 14 T HN -0.044 nan 8.240 nan 0.000 0.488 15 F N 1.091 121.001 119.950 -0.068 0.000 2.085 15 F HA -0.197 4.329 4.527 -0.002 0.000 0.299 15 F C 3.078 178.843 175.800 -0.058 0.000 1.096 15 F CA 1.180 59.136 58.000 -0.074 0.000 1.227 15 F CB -0.500 38.456 39.000 -0.074 0.000 0.983 15 F HN 0.814 nan 8.300 nan 0.000 0.482 16 A N -0.698 122.218 122.820 0.160 0.000 2.104 16 A HA -0.271 4.048 4.320 -0.002 0.000 0.223 16 A C 1.425 179.030 177.584 0.034 0.000 1.164 16 A CA 2.305 54.386 52.037 0.072 0.000 0.659 16 A CB -0.603 18.429 19.000 0.054 0.000 0.808 16 A HN 0.354 nan 8.150 nan 0.000 0.465 17 D N -1.290 119.132 120.400 0.036 0.000 2.369 17 D HA 0.223 4.862 4.640 -0.002 0.000 0.211 17 D C -0.135 176.155 176.300 -0.016 0.000 1.077 17 D CA 0.066 54.073 54.000 0.013 0.000 0.842 17 D CB 0.428 41.256 40.800 0.046 0.000 0.947 17 D HN 0.151 nan 8.370 nan 0.000 0.509 18 V N 1.501 121.394 119.914 -0.036 0.000 2.546 18 V HA 0.145 4.264 4.120 -0.002 0.000 0.284 18 V C 0.551 176.595 176.094 -0.083 0.000 1.050 18 V CA -0.626 61.626 62.300 -0.080 0.000 0.981 18 V CB 1.969 33.700 31.823 -0.153 0.000 0.990 18 V HN -0.194 nan 8.190 nan 0.000 0.474 19 V N 5.538 125.404 119.914 -0.079 0.000 2.461 19 V HA 0.652 4.771 4.120 -0.002 0.000 0.275 19 V C 1.108 177.160 176.094 -0.070 0.000 1.047 19 V CA 0.784 63.045 62.300 -0.065 0.000 0.955 19 V CB 0.153 31.943 31.823 -0.055 0.000 0.988 19 V HN 1.290 nan 8.190 nan 0.000 0.471 20 G N 4.077 112.842 108.800 -0.058 0.000 2.578 20 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.275 20 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.275 20 G C 0.161 175.009 174.900 -0.087 0.000 1.271 20 G CA 0.258 45.329 45.100 -0.049 0.000 0.941 20 G HN 1.022 nan 8.290 nan 0.000 0.564 21 Q N -1.143 118.617 119.800 -0.066 0.000 2.480 21 Q HA -0.217 4.122 4.340 -0.002 0.000 0.265 21 Q C 1.395 177.230 176.000 -0.275 0.000 1.072 21 Q CA 2.032 57.723 55.803 -0.187 0.000 1.018 21 Q CB -1.933 26.656 28.738 -0.248 0.000 1.433 21 Q HN 0.994 nan 8.270 nan 0.000 0.513 22 E N -0.166 119.985 120.200 -0.082 0.000 2.265 22 E HA -0.198 4.151 4.350 -0.002 0.000 0.196 22 E C 1.689 178.249 176.600 -0.066 0.000 0.996 22 E CA 1.314 57.671 56.400 -0.072 0.000 0.832 22 E CB -0.200 29.495 29.700 -0.008 0.000 0.756 22 E HN 0.766 nan 8.360 nan 0.000 0.491 23 H N -0.323 118.712 119.070 -0.058 0.000 2.436 23 H HA 0.044 4.599 4.556 -0.002 0.000 0.294 23 H C 2.077 177.354 175.328 -0.085 0.000 1.048 23 H CA 0.765 56.793 56.048 -0.034 0.000 1.353 23 H CB -0.550 29.221 29.762 0.016 0.000 1.414 23 H HN 0.014 nan 8.280 nan 0.000 0.536 24 V N 1.997 121.513 119.914 -0.664 0.000 2.283 24 V HA -0.176 3.943 4.120 -0.002 0.000 0.243 24 V C 3.085 178.865 176.094 -0.524 0.000 1.039 24 V CA 1.118 63.025 62.300 -0.655 0.000 1.016 24 V CB -0.612 30.844 31.823 -0.613 0.000 0.650 24 V HN 0.235 nan 8.190 nan 0.000 0.449 25 L N -0.150 120.807 121.223 -0.445 0.000 2.127 25 L HA -0.203 4.136 4.340 -0.002 0.000 0.211 25 L C 2.576 179.315 176.870 -0.218 0.000 1.089 25 L CA 1.926 56.511 54.840 -0.425 0.000 0.757 25 L CB -1.026 40.791 42.059 -0.404 0.000 0.899 25 L HN 0.398 nan 8.230 nan 0.000 0.434 26 T N -0.215 114.250 114.554 -0.148 0.000 2.770 26 T HA -0.066 4.283 4.350 -0.002 0.000 0.263 26 T C 1.969 176.663 174.700 -0.009 0.000 1.039 26 T CA 1.269 63.344 62.100 -0.041 0.000 1.142 26 T CB -0.051 68.814 68.868 -0.005 0.000 0.868 26 T HN 0.437 nan 8.240 nan 0.000 0.435 27 A N 0.975 123.773 122.820 -0.036 0.000 1.969 27 A HA 0.095 4.414 4.320 -0.002 0.000 0.218 27 A C 2.274 179.901 177.584 0.071 0.000 1.169 27 A CA 0.895 52.962 52.037 0.050 0.000 0.635 27 A CB -0.649 18.430 19.000 0.132 0.000 0.810 27 A HN 0.420 nan 8.150 nan 0.000 0.445 28 L N -0.889 120.308 121.223 -0.044 0.000 1.988 28 L HA -0.183 4.156 4.340 -0.002 0.000 0.207 28 L C 3.150 180.108 176.870 0.148 0.000 1.071 28 L CA 1.462 56.339 54.840 0.060 0.000 0.744 28 L CB -0.860 41.177 42.059 -0.037 0.000 0.893 28 L HN 0.449 nan 8.230 nan 0.000 0.433 29 A N -0.116 122.806 122.820 0.169 0.000 1.940 29 A HA -0.250 4.069 4.320 -0.002 0.000 0.219 29 A C 1.996 179.645 177.584 0.108 0.000 1.176 29 A CA 2.162 54.306 52.037 0.179 0.000 0.631 29 A CB -0.635 18.477 19.000 0.186 0.000 0.814 29 A HN 0.437 nan 8.150 nan 0.000 0.446 30 N N -0.261 118.496 118.700 0.095 0.000 2.171 30 N HA -0.035 4.704 4.740 -0.002 0.000 0.184 30 N C 1.780 177.348 175.510 0.097 0.000 1.021 30 N CA 1.539 54.639 53.050 0.084 0.000 0.854 30 N CB -0.498 38.035 38.487 0.077 0.000 0.994 30 N HN 0.371 nan 8.380 nan 0.000 0.426 31 G N 0.272 109.149 108.800 0.128 0.000 2.408 31 G HA2 -0.088 3.871 3.960 -0.002 0.000 0.215 31 G HA3 -0.088 3.871 3.960 -0.002 0.000 0.215 31 G C 1.573 176.553 174.900 0.133 0.000 1.156 31 G CA 0.243 45.431 45.100 0.146 0.000 0.793 31 G HN 0.238 nan 8.290 nan 0.000 0.535 32 L N 0.854 122.152 121.223 0.124 0.000 2.042 32 L HA -0.133 4.206 4.340 -0.002 0.000 0.210 32 L C 3.172 180.085 176.870 0.072 0.000 1.076 32 L CA 1.379 56.273 54.840 0.089 0.000 0.749 32 L CB -0.376 41.715 42.059 0.054 0.000 0.893 32 L HN 0.178 nan 8.230 nan 0.000 0.432 33 S N -0.184 115.556 115.700 0.066 0.000 2.345 33 S HA -0.063 4.406 4.470 -0.002 0.000 0.219 33 S C 1.924 176.559 174.600 0.058 0.000 1.031 33 S CA 0.906 59.137 58.200 0.052 0.000 0.984 33 S CB -0.299 62.927 63.200 0.044 0.000 0.874 33 S HN 0.272 nan 8.310 nan 0.000 0.451 34 L N 0.898 122.160 121.223 0.065 0.000 2.263 34 L HA -0.114 4.225 4.340 -0.002 0.000 0.216 34 L C 1.881 178.791 176.870 0.067 0.000 1.111 34 L CA 0.941 55.819 54.840 0.063 0.000 0.773 34 L CB -0.853 41.247 42.059 0.068 0.000 0.906 34 L HN 0.615 nan 8.230 nan 0.000 0.439 35 G N -0.385 108.462 108.800 0.078 0.000 2.157 35 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.248 35 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.248 35 G C 0.420 175.379 174.900 0.099 0.000 0.979 35 G CA -0.266 44.886 45.100 0.087 0.000 0.650 35 G HN 0.348 nan 8.290 nan 0.000 0.529 36 R N 0.581 121.143 120.500 0.103 0.000 3.657 36 R HA 0.338 4.677 4.340 -0.002 0.000 0.220 36 R C 0.301 176.690 176.300 0.148 0.000 1.548 36 R CA -0.125 56.040 56.100 0.108 0.000 1.465 36 R CB -0.120 30.238 30.300 0.096 0.000 1.330 36 R HN 0.406 nan 8.270 nan 0.000 0.707 37 I N 1.645 122.307 120.570 0.153 0.000 2.297 37 I HA 0.115 4.284 4.170 -0.002 0.000 0.291 37 I C 0.839 177.068 176.117 0.186 0.000 1.033 37 I CA -0.632 60.796 61.300 0.213 0.000 1.253 37 I CB 0.547 38.638 38.000 0.151 0.000 1.396 37 I HN 0.352 nan 8.210 nan 0.000 0.476 38 H N 6.041 125.151 119.070 0.066 0.000 2.430 38 H HA 0.124 4.679 4.556 -0.002 0.000 0.359 38 H C 1.190 176.502 175.328 -0.026 0.000 1.672 38 H CA 0.403 56.314 56.048 -0.228 0.000 1.445 38 H CB 0.704 30.016 29.762 -0.750 0.000 1.642 38 H HN 0.603 nan 8.280 nan 0.000 0.593 39 H N -0.753 118.278 119.070 -0.066 0.000 2.827 39 H HA 0.441 4.996 4.556 -0.002 0.000 0.269 39 H C -0.663 174.874 175.328 0.349 0.000 1.031 39 H CA 0.314 56.444 56.048 0.137 0.000 1.202 39 H CB 0.542 30.327 29.762 0.037 0.000 1.511 39 H HN 0.398 nan 8.280 nan 0.000 0.517 40 A N 1.277 124.332 122.820 0.392 0.000 2.768 40 A HA 0.410 4.729 4.320 -0.002 0.000 0.299 40 A C -1.837 175.771 177.584 0.040 0.000 1.171 40 A CA -0.593 51.651 52.037 0.346 0.000 0.759 40 A CB 0.051 19.236 19.000 0.308 0.000 1.267 40 A HN 0.196 nan 8.150 nan 0.000 0.421 41 Y N 1.002 121.311 120.300 0.016 0.000 2.304 41 Y HA 0.551 5.100 4.550 -0.002 0.000 0.328 41 Y C 0.159 175.894 175.900 -0.274 0.000 1.123 41 Y CA -0.629 57.328 58.100 -0.239 0.000 1.218 41 Y CB 1.452 39.797 38.460 -0.192 0.000 1.207 41 Y HN 0.604 nan 8.280 nan 0.000 0.495 42 L N 4.140 125.172 121.223 -0.318 0.000 2.341 42 L HA 0.640 4.979 4.340 -0.002 0.000 0.278 42 L C -1.899 174.800 176.870 -0.285 0.000 1.005 42 L CA -0.867 53.863 54.840 -0.183 0.000 0.818 42 L CB 0.562 42.548 42.059 -0.122 0.000 1.259 42 L HN 0.365 nan 8.230 nan 0.000 0.418 43 F N 3.718 123.770 119.950 0.171 0.000 2.427 43 F HA 0.676 5.202 4.527 -0.002 0.000 0.348 43 F C 0.340 176.224 175.800 0.139 0.000 1.125 43 F CA -0.234 57.873 58.000 0.178 0.000 0.989 43 F CB 1.884 40.971 39.000 0.146 0.000 1.165 43 F HN 0.619 nan 8.300 nan 0.000 0.442 44 S N 1.703 117.586 115.700 0.305 0.000 2.671 44 S HA 1.038 5.507 4.470 -0.002 0.000 0.299 44 S C -0.315 174.337 174.600 0.086 0.000 1.116 44 S CA -0.488 57.855 58.200 0.238 0.000 0.912 44 S CB 2.208 65.582 63.200 0.289 0.000 1.130 44 S HN 1.289 nan 8.310 nan 0.000 0.501 45 G N 0.425 109.253 108.800 0.047 0.000 2.361 45 G HA2 0.395 4.354 3.960 -0.002 0.000 0.305 45 G HA3 0.395 4.354 3.960 -0.002 0.000 0.305 45 G C -0.463 174.440 174.900 0.005 0.000 1.367 45 G CA -0.275 44.759 45.100 -0.110 0.000 0.951 45 G HN 1.282 nan 8.290 nan 0.000 0.615 46 T N -0.667 113.883 114.554 -0.006 0.000 2.698 46 T HA 0.507 4.856 4.350 -0.002 0.000 0.295 46 T C 1.077 175.788 174.700 0.019 0.000 1.007 46 T CA -0.055 62.059 62.100 0.023 0.000 0.980 46 T CB 0.490 69.372 68.868 0.022 0.000 1.036 46 T HN 1.114 nan 8.240 nan 0.000 0.526 47 R N 0.326 120.840 120.500 0.025 0.000 2.538 47 R HA 0.260 4.599 4.340 -0.002 0.000 0.282 47 R C 0.837 177.146 176.300 0.014 0.000 1.009 47 R CA 0.637 56.752 56.100 0.026 0.000 1.063 47 R CB -1.068 29.249 30.300 0.028 0.000 0.945 47 R HN 1.420 nan 8.270 nan 0.000 0.414 48 G N 2.182 110.989 108.800 0.012 0.000 2.225 48 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.264 48 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.264 48 G C 0.090 174.983 174.900 -0.012 0.000 1.060 48 G CA 0.068 45.169 45.100 0.001 0.000 0.833 48 G HN 0.548 nan 8.290 nan 0.000 0.498 49 V N -1.205 118.696 119.914 -0.022 0.000 3.380 49 V HA 0.615 4.734 4.120 -0.002 0.000 0.307 49 V C 1.849 177.907 176.094 -0.061 0.000 1.434 49 V CA 0.674 62.951 62.300 -0.037 0.000 1.075 49 V CB 0.113 31.912 31.823 -0.039 0.000 0.954 49 V HN 1.933 nan 8.190 nan 0.000 0.444 50 G N 0.693 109.454 108.800 -0.065 0.000 2.175 50 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.182 50 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.182 50 G C 0.818 175.632 174.900 -0.142 0.000 1.003 50 G CA 0.332 45.368 45.100 -0.106 0.000 0.666 50 G HN 0.366 nan 8.290 nan 0.000 0.506 51 K N -0.068 120.279 120.400 -0.087 0.000 1.987 51 K HA -0.116 4.203 4.320 -0.002 0.000 0.216 51 K C 2.836 179.341 176.600 -0.157 0.000 1.051 51 K CA 2.339 58.581 56.287 -0.076 0.000 0.942 51 K CB -0.263 32.260 32.500 0.039 0.000 0.722 51 K HN 0.519 nan 8.250 nan 0.000 0.444 52 T N -1.923 112.580 114.554 -0.085 0.000 3.067 52 T HA 0.077 4.426 4.350 -0.002 0.000 0.257 52 T C 1.879 176.510 174.700 -0.114 0.000 1.105 52 T CA 0.818 62.869 62.100 -0.081 0.000 1.104 52 T CB 0.157 69.021 68.868 -0.007 0.000 0.925 52 T HN -0.036 nan 8.240 nan 0.000 0.498 53 S N 1.241 116.869 115.700 -0.119 0.000 2.368 53 S HA 0.108 4.577 4.470 -0.002 0.000 0.225 53 S C 1.826 176.323 174.600 -0.172 0.000 1.030 53 S CA 1.224 59.356 58.200 -0.114 0.000 0.999 53 S CB -0.364 62.782 63.200 -0.091 0.000 0.844 53 S HN 0.523 nan 8.310 nan 0.000 0.459 54 I N 1.352 121.748 120.570 -0.290 0.000 2.353 54 I HA -0.142 4.027 4.170 -0.002 0.000 0.248 54 I C 2.680 178.508 176.117 -0.482 0.000 1.119 54 I CA 0.802 61.847 61.300 -0.424 0.000 1.417 54 I CB -0.578 37.057 38.000 -0.609 0.000 1.078 54 I HN 0.251 nan 8.210 nan 0.000 0.421 55 A N 1.474 123.954 122.820 -0.567 0.000 1.859 55 A HA -0.251 4.068 4.320 -0.002 0.000 0.217 55 A C 2.384 179.884 177.584 -0.140 0.000 1.198 55 A CA 1.714 53.548 52.037 -0.339 0.000 0.629 55 A CB -0.708 18.209 19.000 -0.138 0.000 0.830 55 A HN 0.315 nan 8.150 nan 0.000 0.446 56 R N -0.611 119.823 120.500 -0.110 0.000 2.117 56 R HA -0.116 4.223 4.340 -0.002 0.000 0.243 56 R C 2.112 178.374 176.300 -0.062 0.000 1.143 56 R CA 1.459 57.516 56.100 -0.072 0.000 0.968 56 R CB -0.712 29.553 30.300 -0.058 0.000 0.863 56 R HN 0.552 nan 8.270 nan 0.000 0.444 57 L N 0.462 121.664 121.223 -0.034 0.000 2.056 57 L HA -0.174 4.165 4.340 -0.002 0.000 0.207 57 L C 2.481 179.415 176.870 0.108 0.000 1.078 57 L CA 0.648 55.543 54.840 0.091 0.000 0.749 57 L CB -0.398 41.829 42.059 0.280 0.000 0.901 57 L HN 0.159 nan 8.230 nan 0.000 0.433 58 L N 0.189 121.464 121.223 0.088 0.000 2.083 58 L HA -0.127 4.212 4.340 -0.002 0.000 0.209 58 L C 2.586 179.412 176.870 -0.073 0.000 1.083 58 L CA 1.944 56.804 54.840 0.033 0.000 0.752 58 L CB -0.680 41.359 42.059 -0.033 0.000 0.899 58 L HN 0.130 nan 8.230 nan 0.000 0.433 59 A N -0.479 122.292 122.820 -0.081 0.000 1.902 59 A HA -0.241 4.078 4.320 -0.002 0.000 0.217 59 A C 2.318 179.802 177.584 -0.167 0.000 1.181 59 A CA 1.988 53.959 52.037 -0.111 0.000 0.623 59 A CB -0.499 18.444 19.000 -0.097 0.000 0.818 59 A HN 0.513 nan 8.150 nan 0.000 0.443 60 K N -0.696 119.598 120.400 -0.176 0.000 2.057 60 K HA -0.087 4.232 4.320 -0.002 0.000 0.207 60 K C 2.062 178.547 176.600 -0.192 0.000 1.049 60 K CA 1.199 57.356 56.287 -0.217 0.000 0.931 60 K CB -0.485 31.905 32.500 -0.184 0.000 0.714 60 K HN 0.462 nan 8.250 nan 0.000 0.440 61 G N 0.842 109.525 108.800 -0.194 0.000 2.448 61 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.219 61 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.219 61 G C 1.407 176.242 174.900 -0.109 0.000 1.127 61 G CA 0.592 45.568 45.100 -0.206 0.000 0.766 61 G HN 0.096 nan 8.290 nan 0.000 0.552 62 L N 0.009 121.185 121.223 -0.078 0.000 2.131 62 L HA 0.120 4.459 4.340 -0.002 0.000 0.206 62 L C 2.075 179.030 176.870 0.142 0.000 1.087 62 L CA 0.618 55.474 54.840 0.026 0.000 0.767 62 L CB -0.077 41.940 42.059 -0.069 0.000 0.917 62 L HN 0.048 nan 8.230 nan 0.000 0.441 63 N N -1.200 117.512 118.700 0.020 0.000 2.280 63 N HA 0.017 4.756 4.740 -0.002 0.000 0.192 63 N C 0.243 175.737 175.510 -0.027 0.000 1.109 63 N CA -0.053 53.009 53.050 0.020 0.000 0.855 63 N CB -0.089 38.333 38.487 -0.109 0.000 0.974 63 N HN 0.184 nan 8.380 nan 0.000 0.482 64 C N 1.775 121.039 119.300 -0.060 0.000 2.538 64 C HA -0.010 4.449 4.460 -0.002 0.000 0.408 64 C C 1.981 176.958 174.990 -0.023 0.000 1.421 64 C CA -0.141 58.839 59.018 -0.064 0.000 1.642 64 C CB -0.288 27.403 27.740 -0.083 0.000 2.553 64 C HN 0.485 nan 8.230 nan 0.000 0.604 65 E N 1.564 121.755 120.200 -0.015 0.000 2.209 65 E HA -0.202 4.147 4.350 -0.002 0.000 0.196 65 E C 2.151 178.747 176.600 -0.007 0.000 0.993 65 E CA 1.922 58.323 56.400 0.002 0.000 0.819 65 E CB 0.033 29.738 29.700 0.009 0.000 0.745 65 E HN 1.016 nan 8.360 nan 0.000 0.477 66 T N -2.103 112.440 114.554 -0.018 0.000 2.915 66 T HA 0.089 4.438 4.350 -0.002 0.000 0.269 66 T C 0.826 175.519 174.700 -0.013 0.000 1.071 66 T CA 0.778 62.867 62.100 -0.018 0.000 1.132 66 T CB 0.290 69.141 68.868 -0.028 0.000 0.878 66 T HN 0.254 nan 8.240 nan 0.000 0.479 67 G N 0.185 108.980 108.800 -0.009 0.000 2.347 67 G HA2 0.263 4.222 3.960 -0.002 0.000 0.321 67 G HA3 0.263 4.222 3.960 -0.002 0.000 0.321 67 G C -1.171 173.734 174.900 0.009 0.000 1.412 67 G CA -0.814 44.288 45.100 0.003 0.000 0.990 67 G HN 0.415 nan 8.290 nan 0.000 0.637 68 I N 1.402 121.996 120.570 0.039 0.000 2.581 68 I HA 0.330 4.499 4.170 -0.002 0.000 0.285 68 I C 0.897 177.016 176.117 0.005 0.000 1.129 68 I CA 0.568 61.901 61.300 0.054 0.000 1.397 68 I CB 0.768 38.839 38.000 0.118 0.000 1.399 68 I HN 0.515 nan 8.210 nan 0.000 0.537 69 T N 4.102 118.628 114.554 -0.046 0.000 2.901 69 T HA 0.619 4.968 4.350 -0.002 0.000 0.293 69 T C 0.457 175.062 174.700 -0.157 0.000 1.084 69 T CA -0.182 61.866 62.100 -0.086 0.000 1.008 69 T CB 1.876 70.680 68.868 -0.106 0.000 1.170 69 T HN 0.613 nan 8.240 nan 0.000 0.509 70 A N 1.126 123.846 122.820 -0.165 0.000 2.348 70 A HA 0.337 4.656 4.320 -0.002 0.000 0.224 70 A C 0.947 178.244 177.584 -0.477 0.000 1.227 70 A CA 0.667 52.552 52.037 -0.254 0.000 0.885 70 A CB -0.073 18.900 19.000 -0.045 0.000 0.933 70 A HN 0.886 nan 8.150 nan 0.000 0.506 71 T N -1.078 113.279 114.554 -0.330 0.000 3.504 71 T HA 0.493 4.842 4.350 -0.002 0.000 0.286 71 T C -3.180 171.379 174.700 -0.235 0.000 1.530 71 T CA -1.655 60.282 62.100 -0.272 0.000 1.652 71 T CB 0.565 69.361 68.868 -0.120 0.000 0.895 71 T HN -0.019 nan 8.240 nan 0.000 0.674 72 P HA 0.208 nan 4.420 nan 0.000 0.271 72 P C 1.603 178.816 177.300 -0.144 0.000 1.220 72 P CA -0.715 62.255 63.100 -0.217 0.000 0.768 72 P CB 0.561 32.103 31.700 -0.263 0.000 0.848 73 C N 1.632 120.870 119.300 -0.104 0.000 2.413 73 C HA 0.085 4.544 4.460 -0.002 0.000 0.276 73 C C 1.838 176.789 174.990 -0.065 0.000 1.236 73 C CA 0.998 59.973 59.018 -0.072 0.000 1.735 73 C CB -1.884 25.824 27.740 -0.053 0.000 2.031 73 C HN 0.784 nan 8.230 nan 0.000 0.474 74 G N -0.305 108.451 108.800 -0.072 0.000 2.147 74 G HA2 -0.161 3.798 3.960 -0.002 0.000 0.244 74 G HA3 -0.161 3.798 3.960 -0.002 0.000 0.244 74 G C 0.279 175.152 174.900 -0.045 0.000 1.005 74 G CA 0.416 45.479 45.100 -0.061 0.000 0.713 74 G HN 1.319 nan 8.290 nan 0.000 0.515 75 V N -0.662 119.229 119.914 -0.039 0.000 3.355 75 V HA 0.203 4.322 4.120 -0.002 0.000 0.330 75 V C 1.204 177.287 176.094 -0.019 0.000 1.479 75 V CA 0.060 62.344 62.300 -0.026 0.000 1.150 75 V CB -0.202 31.607 31.823 -0.024 0.000 1.044 75 V HN 1.072 nan 8.190 nan 0.000 0.501 76 C N -2.059 117.228 119.300 -0.021 0.000 2.397 76 C HA 0.591 5.050 4.460 -0.002 0.000 0.343 76 C C 1.683 176.678 174.990 0.009 0.000 1.188 76 C CA -0.571 58.444 59.018 -0.006 0.000 1.992 76 C CB 1.551 29.286 27.740 -0.008 0.000 2.358 76 C HN 0.384 nan 8.230 nan 0.000 0.518 77 D N 1.455 121.872 120.400 0.028 0.000 2.200 77 D HA -0.187 4.452 4.640 -0.002 0.000 0.192 77 D C 1.518 177.879 176.300 0.101 0.000 1.008 77 D CA 2.081 56.115 54.000 0.056 0.000 0.872 77 D CB -0.264 40.571 40.800 0.059 0.000 0.923 77 D HN 0.692 nan 8.370 nan 0.000 0.447 78 N N -0.540 118.219 118.700 0.098 0.000 2.270 78 N HA -0.067 4.672 4.740 -0.002 0.000 0.181 78 N C 1.794 177.225 175.510 -0.132 0.000 1.016 78 N CA 0.538 53.640 53.050 0.086 0.000 0.870 78 N CB -0.359 38.157 38.487 0.048 0.000 0.979 78 N HN 0.284 nan 8.380 nan 0.000 0.431 79 C N -0.060 119.184 119.300 -0.094 0.000 2.507 79 C HA 0.206 4.665 4.460 -0.002 0.000 0.280 79 C C 2.531 177.477 174.990 -0.073 0.000 1.345 79 C CA -0.266 58.678 59.018 -0.123 0.000 1.736 79 C CB -0.625 27.052 27.740 -0.104 0.000 2.060 79 C HN 0.406 nan 8.230 nan 0.000 0.498 80 R N 1.355 121.838 120.500 -0.029 0.000 2.073 80 R HA -0.120 4.219 4.340 -0.002 0.000 0.234 80 R C 2.123 178.431 176.300 0.014 0.000 1.134 80 R CA 1.505 57.599 56.100 -0.011 0.000 0.952 80 R CB -0.266 30.034 30.300 0.001 0.000 0.850 80 R HN 0.638 nan 8.270 nan 0.000 0.433 81 E N 0.306 120.545 120.200 0.065 0.000 2.077 81 E HA -0.185 4.164 4.350 -0.002 0.000 0.193 81 E C 2.044 178.713 176.600 0.115 0.000 0.989 81 E CA 1.124 57.602 56.400 0.131 0.000 0.800 81 E CB -0.087 29.782 29.700 0.281 0.000 0.746 81 E HN 0.351 nan 8.360 nan 0.000 0.452 82 I N 1.149 121.735 120.570 0.027 0.000 2.179 82 I HA -0.281 3.888 4.170 -0.002 0.000 0.242 82 I C 2.693 178.794 176.117 -0.027 0.000 1.088 82 I CA 1.324 62.600 61.300 -0.040 0.000 1.357 82 I CB -0.508 37.367 38.000 -0.208 0.000 1.051 82 I HN 0.179 nan 8.210 nan 0.000 0.409 83 E N 1.357 121.533 120.200 -0.041 0.000 2.136 83 E HA -0.297 4.052 4.350 -0.002 0.000 0.202 83 E C 1.847 178.433 176.600 -0.023 0.000 1.019 83 E CA 1.790 58.167 56.400 -0.038 0.000 0.819 83 E CB -0.008 29.666 29.700 -0.044 0.000 0.739 83 E HN 0.577 nan 8.360 nan 0.000 0.458 84 Q N -1.422 118.375 119.800 -0.005 0.000 2.280 84 Q HA 0.175 4.514 4.340 -0.002 0.000 0.201 84 Q C 1.220 177.229 176.000 0.015 0.000 0.890 84 Q CA 0.335 56.138 55.803 0.000 0.000 0.947 84 Q CB 1.100 29.840 28.738 0.004 0.000 1.081 84 Q HN 0.509 nan 8.270 nan 0.000 0.502 85 G N 1.916 110.733 108.800 0.028 0.000 2.245 85 G HA2 -0.392 3.567 3.960 -0.002 0.000 0.264 85 G HA3 -0.392 3.567 3.960 -0.002 0.000 0.264 85 G C 1.079 176.017 174.900 0.063 0.000 0.985 85 G CA 0.685 45.810 45.100 0.042 0.000 0.625 85 G HN 0.364 nan 8.290 nan 0.000 0.536 86 R N -0.639 119.900 120.500 0.065 0.000 2.235 86 R HA 0.215 4.554 4.340 -0.002 0.000 0.213 86 R C 1.144 177.489 176.300 0.076 0.000 1.059 86 R CA 0.291 56.424 56.100 0.055 0.000 0.997 86 R CB -0.073 30.250 30.300 0.038 0.000 0.884 86 R HN 0.422 nan 8.270 nan 0.000 0.462 87 F N 0.488 120.428 119.950 -0.017 0.000 2.541 87 F HA -0.068 4.458 4.527 -0.002 0.000 0.378 87 F C 1.382 177.169 175.800 -0.021 0.000 1.068 87 F CA -0.084 57.905 58.000 -0.019 0.000 1.199 87 F CB 0.806 39.794 39.000 -0.020 0.000 1.091 87 F HN -0.300 nan 8.300 nan 0.000 0.555 88 V N 4.490 124.046 119.914 -0.597 0.000 2.626 88 V HA -0.224 3.895 4.120 -0.002 0.000 0.252 88 V C 1.141 177.040 176.094 -0.325 0.000 1.067 88 V CA 2.015 64.071 62.300 -0.406 0.000 1.081 88 V CB -0.475 31.093 31.823 -0.426 0.000 0.686 88 V HN 0.710 nan 8.190 nan 0.000 0.468 89 D N -0.462 119.648 120.400 -0.484 0.000 2.424 89 D HA 0.209 4.848 4.640 -0.002 0.000 0.220 89 D C -0.019 176.432 176.300 0.251 0.000 1.150 89 D CA -0.022 53.963 54.000 -0.026 0.000 0.831 89 D CB 0.913 41.736 40.800 0.038 0.000 0.981 89 D HN 0.297 nan 8.370 nan 0.000 0.500 90 L N 1.356 122.788 121.223 0.350 0.000 2.301 90 L HA 0.427 4.766 4.340 -0.002 0.000 0.278 90 L C -0.890 176.015 176.870 0.059 0.000 1.022 90 L CA -0.433 54.505 54.840 0.162 0.000 0.854 90 L CB 0.817 42.980 42.059 0.172 0.000 1.226 90 L HN -0.189 nan 8.230 nan 0.000 0.429 91 I N 4.285 124.820 120.570 -0.059 0.000 2.301 91 I HA 0.250 4.419 4.170 -0.002 0.000 0.292 91 I C 0.135 176.296 176.117 0.073 0.000 1.046 91 I CA -0.064 61.229 61.300 -0.012 0.000 1.282 91 I CB 0.986 38.935 38.000 -0.085 0.000 1.409 91 I HN 0.624 nan 8.210 nan 0.000 0.484 92 E N 7.593 127.842 120.200 0.082 0.000 2.081 92 E HA 0.442 4.791 4.350 -0.002 0.000 0.276 92 E C -0.913 175.746 176.600 0.099 0.000 0.950 92 E CA -0.512 55.943 56.400 0.091 0.000 0.776 92 E CB 0.841 30.580 29.700 0.066 0.000 1.094 92 E HN 0.493 nan 8.360 nan 0.000 0.402 93 I N 3.733 124.376 120.570 0.122 0.000 2.336 93 I HA 0.115 4.284 4.170 -0.002 0.000 0.292 93 I C -0.129 176.030 176.117 0.070 0.000 0.991 93 I CA -0.692 60.670 61.300 0.103 0.000 1.227 93 I CB 1.341 39.419 38.000 0.131 0.000 1.366 93 I HN 0.497 nan 8.210 nan 0.000 0.466 94 D N 6.037 126.465 120.400 0.047 0.000 2.483 94 D HA 0.234 4.873 4.640 -0.002 0.000 0.220 94 D C 0.971 177.273 176.300 0.004 0.000 1.173 94 D CA -0.117 53.899 54.000 0.025 0.000 0.964 94 D CB 1.249 42.062 40.800 0.022 0.000 1.046 94 D HN 0.635 nan 8.370 nan 0.000 0.517 95 A N 3.443 126.257 122.820 -0.011 0.000 2.070 95 A HA -0.011 4.308 4.320 -0.002 0.000 0.220 95 A C 2.052 179.587 177.584 -0.081 0.000 1.159 95 A CA 1.418 53.425 52.037 -0.050 0.000 0.656 95 A CB -0.219 18.741 19.000 -0.065 0.000 0.800 95 A HN 0.575 nan 8.150 nan 0.000 0.453 96 A N -1.549 121.227 122.820 -0.074 0.000 2.119 96 A HA 0.128 4.447 4.320 -0.002 0.000 0.216 96 A C 2.234 179.800 177.584 -0.030 0.000 1.152 96 A CA 1.671 53.669 52.037 -0.065 0.000 0.708 96 A CB -0.313 18.663 19.000 -0.039 0.000 0.805 96 A HN 0.413 nan 8.150 nan 0.000 0.460 97 S N -1.161 114.526 115.700 -0.022 0.000 2.506 97 S HA 0.159 4.628 4.470 -0.002 0.000 0.230 97 S C 1.041 175.632 174.600 -0.016 0.000 1.066 97 S CA -0.137 58.057 58.200 -0.010 0.000 0.940 97 S CB 0.088 63.289 63.200 0.002 0.000 0.818 97 S HN 0.542 nan 8.310 nan 0.000 0.518 98 R N 2.207 122.695 120.500 -0.020 0.000 2.937 98 R HA 0.201 4.540 4.340 -0.002 0.000 0.264 98 R C 0.642 176.912 176.300 -0.050 0.000 1.334 98 R CA 0.122 56.209 56.100 -0.022 0.000 1.516 98 R CB 0.332 30.631 30.300 -0.002 0.000 1.187 98 R HN 0.383 nan 8.270 nan 0.000 0.609 99 T N -2.498 112.019 114.554 -0.062 0.000 3.037 99 T HA 0.115 4.464 4.350 -0.002 0.000 0.251 99 T C 0.746 175.383 174.700 -0.105 0.000 1.079 99 T CA 0.052 62.092 62.100 -0.101 0.000 1.067 99 T CB 0.394 69.210 68.868 -0.086 0.000 0.948 99 T HN 0.129 nan 8.240 nan 0.000 0.496 100 K N 1.264 121.622 120.400 -0.071 0.000 2.237 100 K HA 0.399 4.718 4.320 -0.002 0.000 0.270 100 K C 1.280 177.845 176.600 -0.058 0.000 1.015 100 K CA -0.326 55.923 56.287 -0.064 0.000 0.949 100 K CB 1.567 34.038 32.500 -0.049 0.000 0.976 100 K HN -0.093 nan 8.250 nan 0.000 0.472 101 V N 1.138 121.021 119.914 -0.052 0.000 2.358 101 V HA -0.211 3.908 4.120 -0.002 0.000 0.246 101 V C 1.848 177.929 176.094 -0.021 0.000 1.047 101 V CA 1.409 63.693 62.300 -0.026 0.000 1.035 101 V CB -0.509 31.315 31.823 0.002 0.000 0.658 101 V HN 0.705 nan 8.190 nan 0.000 0.452 102 E N 0.627 120.813 120.200 -0.025 0.000 2.097 102 E HA -0.264 4.085 4.350 -0.002 0.000 0.196 102 E C 2.034 178.628 176.600 -0.010 0.000 1.000 102 E CA 1.794 58.185 56.400 -0.015 0.000 0.804 102 E CB -0.509 29.181 29.700 -0.017 0.000 0.740 102 E HN 0.615 nan 8.360 nan 0.000 0.454 103 D N -0.238 120.153 120.400 -0.015 0.000 2.117 103 D HA -0.120 4.519 4.640 -0.002 0.000 0.197 103 D C 2.129 178.426 176.300 -0.005 0.000 0.987 103 D CA 2.192 56.188 54.000 -0.006 0.000 0.829 103 D CB -0.353 40.439 40.800 -0.013 0.000 0.961 103 D HN 0.360 nan 8.370 nan 0.000 0.460 104 T N -1.718 112.823 114.554 -0.021 0.000 3.043 104 T HA 0.026 4.375 4.350 -0.002 0.000 0.263 104 T C 1.928 176.612 174.700 -0.026 0.000 1.094 104 T CA 0.282 62.365 62.100 -0.028 0.000 1.127 104 T CB 0.063 68.897 68.868 -0.056 0.000 0.905 104 T HN -0.018 nan 8.240 nan 0.000 0.490 105 R N 1.005 121.495 120.500 -0.017 0.000 2.127 105 R HA -0.055 4.284 4.340 -0.002 0.000 0.238 105 R C 2.017 178.316 176.300 -0.002 0.000 1.134 105 R CA 1.679 57.772 56.100 -0.011 0.000 0.975 105 R CB -0.248 30.050 30.300 -0.003 0.000 0.865 105 R HN 0.434 nan 8.270 nan 0.000 0.447 106 D N 0.503 120.908 120.400 0.010 0.000 2.117 106 D HA -0.156 4.483 4.640 -0.002 0.000 0.198 106 D C 1.827 178.147 176.300 0.034 0.000 0.982 106 D CA 0.611 54.628 54.000 0.029 0.000 0.828 106 D CB -0.244 40.580 40.800 0.039 0.000 0.967 106 D HN 0.047 nan 8.370 nan 0.000 0.464 107 L N 1.003 122.238 121.223 0.020 0.000 1.990 107 L HA -0.186 4.153 4.340 -0.002 0.000 0.213 107 L C 2.151 178.995 176.870 -0.044 0.000 1.072 107 L CA 1.565 56.408 54.840 0.005 0.000 0.755 107 L CB -0.972 41.068 42.059 -0.031 0.000 0.889 107 L HN 0.091 nan 8.230 nan 0.000 0.432 108 L N -0.323 120.870 121.223 -0.050 0.000 2.046 108 L HA -0.215 4.124 4.340 -0.002 0.000 0.208 108 L C 2.109 178.954 176.870 -0.041 0.000 1.077 108 L CA 1.334 56.142 54.840 -0.053 0.000 0.747 108 L CB -0.837 41.194 42.059 -0.047 0.000 0.896 108 L HN 0.208 nan 8.230 nan 0.000 0.432 109 D N 0.010 120.395 120.400 -0.025 0.000 2.354 109 D HA -0.126 4.513 4.640 -0.002 0.000 0.216 109 D C 1.159 177.414 176.300 -0.076 0.000 0.970 109 D CA 0.863 54.837 54.000 -0.044 0.000 0.905 109 D CB -0.200 40.601 40.800 0.002 0.000 0.903 109 D HN 0.296 nan 8.370 nan 0.000 0.508 110 N N -0.398 118.308 118.700 0.010 0.000 2.235 110 N HA 0.061 4.800 4.740 -0.002 0.000 0.231 110 N C 1.056 176.664 175.510 0.163 0.000 1.177 110 N CA 0.013 53.132 53.050 0.116 0.000 0.874 110 N CB 1.478 40.111 38.487 0.243 0.000 1.097 110 N HN 0.034 nan 8.380 nan 0.000 0.518 111 V N 1.350 121.295 119.914 0.052 0.000 2.426 111 V HA -0.171 3.948 4.120 -0.002 0.000 0.242 111 V C 2.630 178.781 176.094 0.096 0.000 1.036 111 V CA 1.288 63.652 62.300 0.107 0.000 1.044 111 V CB -0.299 31.531 31.823 0.011 0.000 0.688 111 V HN 0.361 nan 8.190 nan 0.000 0.462 112 Q N 0.322 120.094 119.800 -0.046 0.000 2.173 112 Q HA -0.237 4.102 4.340 -0.002 0.000 0.208 112 Q C 0.503 176.572 176.000 0.115 0.000 0.989 112 Q CA 1.661 57.452 55.803 -0.020 0.000 0.872 112 Q CB -0.707 27.901 28.738 -0.216 0.000 0.909 112 Q HN 0.645 nan 8.270 nan 0.000 0.420 113 Y N 1.459 121.884 120.300 0.209 0.000 2.511 113 Y HA 0.286 4.835 4.550 -0.002 0.000 0.332 113 Y C 0.919 176.959 175.900 0.233 0.000 1.177 113 Y CA -0.698 57.493 58.100 0.151 0.000 1.422 113 Y CB 0.424 38.945 38.460 0.101 0.000 1.271 113 Y HN 0.220 nan 8.280 nan 0.000 0.550 114 A N 5.552 128.465 122.820 0.156 0.000 2.406 114 A HA 0.311 4.630 4.320 -0.002 0.000 0.243 114 A C -2.311 175.343 177.584 0.116 0.000 1.082 114 A CA -1.395 50.617 52.037 -0.042 0.000 0.786 114 A CB -0.358 18.523 19.000 -0.199 0.000 1.029 114 A HN 0.488 nan 8.150 nan 0.000 0.495 115 P HA 0.290 nan 4.420 nan 0.000 0.271 115 P C 0.608 177.913 177.300 0.009 0.000 1.218 115 P CA 0.482 63.633 63.100 0.086 0.000 0.780 115 P CB 1.002 32.761 31.700 0.099 0.000 0.901 116 A N 3.822 126.623 122.820 -0.032 0.000 1.821 116 A HA -0.099 4.220 4.320 -0.002 0.000 0.215 116 A C 1.881 179.419 177.584 -0.077 0.000 1.214 116 A CA 1.428 53.422 52.037 -0.071 0.000 0.608 116 A CB -0.577 18.352 19.000 -0.118 0.000 0.862 116 A HN 0.515 nan 8.150 nan 0.000 0.448 117 R N -1.412 119.019 120.500 -0.114 0.000 2.509 117 R HA 0.218 4.557 4.340 -0.002 0.000 0.297 117 R C 0.758 177.066 176.300 0.013 0.000 0.951 117 R CA 0.410 56.465 56.100 -0.075 0.000 1.103 117 R CB 0.771 31.000 30.300 -0.120 0.000 1.283 117 R HN 0.549 nan 8.270 nan 0.000 0.534 118 G N -0.497 108.336 108.800 0.056 0.000 2.642 118 G HA2 0.134 4.093 3.960 -0.002 0.000 0.291 118 G HA3 0.134 4.093 3.960 -0.002 0.000 0.291 118 G C 0.072 175.026 174.900 0.091 0.000 1.345 118 G CA -0.449 44.777 45.100 0.210 0.000 1.043 118 G HN 0.120 nan 8.290 nan 0.000 0.528 119 R N -1.999 118.546 120.500 0.075 0.000 2.195 119 R HA 0.321 4.660 4.340 -0.002 0.000 0.197 119 R C -0.503 175.634 176.300 -0.273 0.000 0.990 119 R CA 0.260 56.289 56.100 -0.118 0.000 1.048 119 R CB 0.128 30.338 30.300 -0.149 0.000 0.997 119 R HN 0.272 nan 8.270 nan 0.000 0.502 120 F N 0.833 120.838 119.950 0.091 0.000 2.577 120 F HA 0.439 4.965 4.527 -0.002 0.000 0.318 120 F C -0.401 175.431 175.800 0.054 0.000 1.065 120 F CA -1.013 57.033 58.000 0.076 0.000 0.929 120 F CB 1.899 40.924 39.000 0.042 0.000 1.237 120 F HN -0.279 nan 8.300 nan 0.000 0.468 121 K N 2.196 122.717 120.400 0.202 0.000 2.264 121 K HA 0.594 4.913 4.320 -0.002 0.000 0.277 121 K C -1.548 174.955 176.600 -0.162 0.000 1.067 121 K CA -0.324 55.953 56.287 -0.016 0.000 0.900 121 K CB 0.839 33.307 32.500 -0.052 0.000 1.124 121 K HN 0.464 nan 8.250 nan 0.000 0.469 122 V N 5.829 125.630 119.914 -0.188 0.000 2.357 122 V HA 0.243 4.362 4.120 -0.002 0.000 0.284 122 V C -0.850 175.075 176.094 -0.283 0.000 1.018 122 V CA -0.910 61.280 62.300 -0.184 0.000 0.841 122 V CB 0.380 32.169 31.823 -0.057 0.000 0.991 122 V HN 0.589 nan 8.190 nan 0.000 0.437 123 Y N 4.815 125.044 120.300 -0.118 0.000 2.327 123 Y HA 0.549 5.098 4.550 -0.002 0.000 0.336 123 Y C -0.005 175.967 175.900 0.120 0.000 1.035 123 Y CA -0.611 57.492 58.100 0.005 0.000 1.165 123 Y CB 1.485 39.950 38.460 0.009 0.000 1.181 123 Y HN 0.520 nan 8.280 nan 0.000 0.494 124 L N 6.053 127.419 121.223 0.239 0.000 2.324 124 L HA 0.519 4.858 4.340 -0.002 0.000 0.274 124 L C -1.127 175.874 176.870 0.219 0.000 1.012 124 L CA -0.463 54.505 54.840 0.214 0.000 0.859 124 L CB 0.106 42.244 42.059 0.131 0.000 1.224 124 L HN 0.528 nan 8.230 nan 0.000 0.429 125 I N 4.209 124.931 120.570 0.253 0.000 2.297 125 I HA 0.289 4.458 4.170 -0.002 0.000 0.291 125 I C -0.485 175.724 176.117 0.154 0.000 1.033 125 I CA -0.305 61.112 61.300 0.194 0.000 1.253 125 I CB 1.153 39.274 38.000 0.202 0.000 1.396 125 I HN 0.527 nan 8.210 nan 0.000 0.476 126 D N 5.733 126.197 120.400 0.107 0.000 2.252 126 D HA 0.241 4.880 4.640 -0.002 0.000 0.245 126 D C 0.084 176.406 176.300 0.037 0.000 1.009 126 D CA 0.076 54.130 54.000 0.092 0.000 0.870 126 D CB 1.179 42.027 40.800 0.080 0.000 1.251 126 D HN 0.381 nan 8.370 nan 0.000 0.460 127 E N 0.879 121.098 120.200 0.032 0.000 2.637 127 E HA -0.172 4.177 4.350 -0.002 0.000 0.265 127 E C 1.163 177.559 176.600 -0.340 0.000 1.073 127 E CA 0.424 56.752 56.400 -0.121 0.000 0.778 127 E CB -1.993 27.648 29.700 -0.097 0.000 1.362 127 E HN 0.317 nan 8.360 nan 0.000 0.413 128 V N 1.577 121.450 119.914 -0.069 0.000 2.688 128 V HA -0.284 3.835 4.120 -0.002 0.000 0.256 128 V C 2.427 178.578 176.094 0.096 0.000 1.084 128 V CA 2.527 64.844 62.300 0.027 0.000 1.103 128 V CB -0.655 31.271 31.823 0.171 0.000 0.688 128 V HN 0.651 nan 8.190 nan 0.000 0.480 129 H N -1.412 117.807 119.070 0.249 0.000 2.557 129 H HA -0.098 4.457 4.556 -0.002 0.000 0.287 129 H C 1.601 177.086 175.328 0.261 0.000 1.043 129 H CA 1.244 57.480 56.048 0.314 0.000 1.226 129 H CB -0.345 29.524 29.762 0.179 0.000 1.361 129 H HN 0.423 nan 8.280 nan 0.000 0.592 130 M N 0.902 120.394 119.600 -0.180 0.000 2.382 130 M HA 0.214 4.693 4.480 -0.002 0.000 0.247 130 M C 0.693 176.891 176.300 -0.171 0.000 1.104 130 M CA -0.236 55.016 55.300 -0.081 0.000 1.030 130 M CB 0.187 32.705 32.600 -0.136 0.000 1.424 130 M HN 0.117 nan 8.290 nan 0.000 0.486 131 L N 2.087 123.089 121.223 -0.369 0.000 2.525 131 L HA -0.039 4.300 4.340 -0.002 0.000 0.278 131 L C 1.167 177.650 176.870 -0.644 0.000 1.218 131 L CA -0.194 54.280 54.840 -0.609 0.000 0.878 131 L CB 0.175 41.651 42.059 -0.972 0.000 1.127 131 L HN 0.320 nan 8.230 nan 0.000 0.492 132 S N 3.269 118.755 115.700 -0.356 0.000 2.587 132 S HA 0.017 4.486 4.470 -0.002 0.000 0.260 132 S C 1.145 175.667 174.600 -0.131 0.000 1.353 132 S CA -0.273 57.830 58.200 -0.161 0.000 0.995 132 S CB 0.807 63.964 63.200 -0.073 0.000 0.912 132 S HN 0.742 nan 8.310 nan 0.000 0.568 133 R N 0.225 120.784 120.500 0.098 0.000 2.096 133 R HA -0.197 4.142 4.340 -0.002 0.000 0.240 133 R C 1.947 178.336 176.300 0.148 0.000 1.139 133 R CA 2.200 58.422 56.100 0.204 0.000 0.952 133 R CB -0.730 29.678 30.300 0.180 0.000 0.854 133 R HN 0.888 nan 8.270 nan 0.000 0.436 134 H N -0.687 118.383 119.070 0.000 0.000 2.389 134 H HA 0.047 4.602 4.556 -0.002 0.000 0.299 134 H C 2.307 177.613 175.328 -0.037 0.000 1.081 134 H CA 1.782 57.825 56.048 -0.008 0.000 1.345 134 H CB 0.010 29.760 29.762 -0.020 0.000 1.393 134 H HN 0.155 nan 8.280 nan 0.000 0.520 135 S N -0.239 115.472 115.700 0.019 0.000 2.348 135 S HA -0.161 4.308 4.470 -0.002 0.000 0.221 135 S C 1.909 176.462 174.600 -0.079 0.000 1.033 135 S CA 1.209 59.351 58.200 -0.097 0.000 1.010 135 S CB -0.465 62.599 63.200 -0.226 0.000 0.891 135 S HN 0.332 nan 8.310 nan 0.000 0.442 136 F N 2.327 122.273 119.950 -0.008 0.000 2.063 136 F HA -0.229 4.297 4.527 -0.002 0.000 0.298 136 F C 2.478 178.244 175.800 -0.055 0.000 1.109 136 F CA 1.216 59.195 58.000 -0.035 0.000 1.212 136 F CB -0.462 38.525 39.000 -0.023 0.000 0.973 136 F HN 0.283 nan 8.300 nan 0.000 0.480 137 N N 0.204 118.986 118.700 0.138 0.000 2.244 137 N HA -0.134 4.605 4.740 -0.002 0.000 0.183 137 N C 1.960 177.470 175.510 0.000 0.000 1.016 137 N CA 0.903 53.972 53.050 0.032 0.000 0.866 137 N CB -0.291 38.178 38.487 -0.030 0.000 0.980 137 N HN 0.263 nan 8.380 nan 0.000 0.430 138 A N 2.196 125.018 122.820 0.002 0.000 1.865 138 A HA -0.103 4.216 4.320 -0.002 0.000 0.217 138 A C 2.255 179.814 177.584 -0.041 0.000 1.191 138 A CA 0.991 53.018 52.037 -0.016 0.000 0.623 138 A CB -0.834 18.157 19.000 -0.014 0.000 0.826 138 A HN 0.176 nan 8.150 nan 0.000 0.444 139 L N -0.455 120.736 121.223 -0.054 0.000 2.261 139 L HA -0.195 4.144 4.340 -0.002 0.000 0.216 139 L C 2.485 179.294 176.870 -0.102 0.000 1.114 139 L CA 0.638 55.409 54.840 -0.115 0.000 0.777 139 L CB -0.745 41.233 42.059 -0.135 0.000 0.910 139 L HN 0.413 nan 8.230 nan 0.000 0.440 140 L N -0.224 120.969 121.223 -0.051 0.000 1.978 140 L HA -0.276 4.063 4.340 -0.002 0.000 0.218 140 L C 2.852 179.690 176.870 -0.053 0.000 1.075 140 L CA 1.513 56.325 54.840 -0.046 0.000 0.767 140 L CB -0.513 41.528 42.059 -0.030 0.000 0.890 140 L HN 0.258 nan 8.230 nan 0.000 0.434 141 K N -0.594 119.778 120.400 -0.047 0.000 2.057 141 K HA -0.106 4.213 4.320 -0.002 0.000 0.207 141 K C 2.056 178.626 176.600 -0.051 0.000 1.049 141 K CA 1.683 57.945 56.287 -0.042 0.000 0.931 141 K CB -0.738 31.742 32.500 -0.034 0.000 0.714 141 K HN 0.337 nan 8.250 nan 0.000 0.440 142 T N 1.894 116.409 114.554 -0.065 0.000 2.857 142 T HA -0.073 4.276 4.350 -0.002 0.000 0.266 142 T C 1.810 176.470 174.700 -0.068 0.000 1.048 142 T CA 0.499 62.567 62.100 -0.054 0.000 1.139 142 T CB -0.140 68.700 68.868 -0.047 0.000 0.874 142 T HN -0.020 nan 8.240 nan 0.000 0.455 143 L N 1.526 122.660 121.223 -0.149 0.000 2.083 143 L HA -0.013 4.326 4.340 -0.002 0.000 0.209 143 L C 2.435 179.312 176.870 0.011 0.000 1.083 143 L CA 1.738 56.496 54.840 -0.137 0.000 0.752 143 L CB -0.489 41.468 42.059 -0.171 0.000 0.899 143 L HN 0.308 nan 8.230 nan 0.000 0.433 144 E N -0.561 119.629 120.200 -0.017 0.000 2.216 144 E HA -0.145 4.204 4.350 -0.002 0.000 0.192 144 E C 0.484 177.010 176.600 -0.123 0.000 0.988 144 E CA 0.852 57.262 56.400 0.017 0.000 0.834 144 E CB 0.201 29.904 29.700 0.006 0.000 0.772 144 E HN 0.572 nan 8.360 nan 0.000 0.479 145 E N 0.940 121.043 120.200 -0.161 0.000 4.017 145 E HA 0.208 4.557 4.350 -0.002 0.000 0.205 145 E C -2.501 174.009 176.600 -0.150 0.000 1.054 145 E CA -1.496 54.797 56.400 -0.178 0.000 1.398 145 E CB 1.431 31.081 29.700 -0.084 0.000 1.164 145 E HN 0.221 nan 8.360 nan 0.000 0.445 146 P HA 0.107 nan 4.420 nan 0.000 0.271 146 P C -2.467 174.810 177.300 -0.038 0.000 1.233 146 P CA -1.066 62.008 63.100 -0.044 0.000 0.789 146 P CB -0.168 31.554 31.700 0.036 0.000 0.951 147 P HA -0.021 nan 4.420 nan 0.000 0.268 147 P C 0.725 178.089 177.300 0.106 0.000 1.208 147 P CA 0.076 63.227 63.100 0.084 0.000 0.777 147 P CB 0.262 32.035 31.700 0.121 0.000 0.875 148 E N 0.830 121.147 120.200 0.195 0.000 2.409 148 E HA -0.217 4.132 4.350 -0.002 0.000 0.198 148 E C 0.979 177.757 176.600 0.298 0.000 1.024 148 E CA 0.887 57.408 56.400 0.203 0.000 0.861 148 E CB -0.608 29.191 29.700 0.165 0.000 0.788 148 E HN 0.579 nan 8.360 nan 0.000 0.521 149 H N -0.225 118.941 119.070 0.159 0.000 2.520 149 H HA 0.342 4.897 4.556 -0.002 0.000 0.284 149 H C -0.220 175.275 175.328 0.279 0.000 1.037 149 H CA -0.387 55.772 56.048 0.185 0.000 1.168 149 H CB -0.148 29.652 29.762 0.064 0.000 1.497 149 H HN -0.005 nan 8.280 nan 0.000 0.547 150 V N 2.083 121.952 119.914 -0.075 0.000 2.555 150 V HA 0.367 4.486 4.120 -0.002 0.000 0.302 150 V C -0.554 175.519 176.094 -0.036 0.000 1.038 150 V CA -0.809 61.406 62.300 -0.142 0.000 0.887 150 V CB 2.191 33.852 31.823 -0.271 0.000 0.991 150 V HN 0.176 nan 8.190 nan 0.000 0.434 151 K N 3.951 124.283 120.400 -0.114 0.000 2.422 151 K HA 0.577 4.896 4.320 -0.002 0.000 0.251 151 K C -1.380 175.142 176.600 -0.130 0.000 0.933 151 K CA -0.335 55.922 56.287 -0.049 0.000 0.798 151 K CB 2.267 34.707 32.500 -0.100 0.000 1.238 151 K HN 0.437 nan 8.250 nan 0.000 0.428 152 F N 2.354 122.464 119.950 0.267 0.000 2.427 152 F HA 0.446 4.972 4.527 -0.001 0.000 0.346 152 F C 0.212 176.179 175.800 0.278 0.000 1.120 152 F CA -0.814 57.347 58.000 0.269 0.000 1.033 152 F CB 1.158 40.292 39.000 0.224 0.000 1.126 152 F HN 0.055 nan 8.300 nan 0.000 0.462 153 L N 6.088 127.572 121.223 0.435 0.000 2.353 153 L HA 0.462 4.801 4.340 -0.002 0.000 0.270 153 L C -0.942 176.154 176.870 0.377 0.000 1.003 153 L CA -0.511 54.570 54.840 0.401 0.000 0.862 153 L CB 1.084 43.340 42.059 0.329 0.000 1.221 153 L HN 0.488 nan 8.230 nan 0.000 0.430 154 L N 2.979 124.404 121.223 0.338 0.000 2.307 154 L HA 0.804 5.143 4.340 -0.002 0.000 0.282 154 L C 0.289 177.350 176.870 0.319 0.000 1.051 154 L CA -0.395 54.610 54.840 0.276 0.000 0.804 154 L CB 1.570 43.748 42.059 0.198 0.000 1.197 154 L HN 0.623 nan 8.230 nan 0.000 0.431 155 A N 2.005 124.991 122.820 0.276 0.000 2.371 155 A HA 0.811 5.130 4.320 -0.002 0.000 0.311 155 A C -0.488 177.231 177.584 0.225 0.000 1.068 155 A CA -0.480 51.725 52.037 0.280 0.000 0.744 155 A CB 2.023 21.165 19.000 0.237 0.000 1.239 155 A HN 0.618 nan 8.150 nan 0.000 0.435 156 T N 0.106 114.803 114.554 0.239 0.000 2.932 156 T HA 0.530 4.879 4.350 -0.002 0.000 0.318 156 T C 0.765 175.602 174.700 0.229 0.000 1.265 156 T CA 0.427 62.694 62.100 0.279 0.000 1.036 156 T CB 1.410 70.503 68.868 0.375 0.000 1.209 156 T HN 1.508 nan 8.240 nan 0.000 0.484 157 A N 2.134 125.082 122.820 0.213 0.000 2.014 157 A HA 0.189 4.508 4.320 -0.002 0.000 0.218 157 A C 0.990 178.612 177.584 0.063 0.000 1.163 157 A CA 1.154 53.258 52.037 0.112 0.000 0.652 157 A CB -0.185 18.862 19.000 0.078 0.000 0.808 157 A HN 0.697 nan 8.150 nan 0.000 0.449 158 D N -1.234 119.171 120.400 0.007 0.000 2.517 158 D HA 0.237 4.876 4.640 -0.002 0.000 0.301 158 D C -1.921 174.392 176.300 0.022 0.000 1.202 158 D CA -1.849 52.109 54.000 -0.070 0.000 0.910 158 D CB 0.946 41.553 40.800 -0.322 0.000 1.021 158 D HN 0.140 nan 8.370 nan 0.000 0.499 159 P HA -0.115 nan 4.420 nan 0.000 0.225 159 P C 1.338 178.637 177.300 -0.002 0.000 1.156 159 P CA 0.453 63.585 63.100 0.053 0.000 0.787 159 P CB 0.582 32.316 31.700 0.056 0.000 0.802 160 Q N 0.957 120.750 119.800 -0.012 0.000 2.173 160 Q HA -0.184 4.155 4.340 -0.002 0.000 0.208 160 Q C 1.889 177.869 176.000 -0.035 0.000 0.989 160 Q CA 1.532 57.316 55.803 -0.031 0.000 0.872 160 Q CB -0.526 28.198 28.738 -0.024 0.000 0.909 160 Q HN 0.481 nan 8.270 nan 0.000 0.420 161 K N 0.325 120.724 120.400 -0.003 0.000 2.439 161 K HA 0.056 4.375 4.320 -0.002 0.000 0.197 161 K C 0.762 177.321 176.600 -0.069 0.000 1.041 161 K CA 0.186 56.489 56.287 0.026 0.000 0.970 161 K CB 0.001 32.578 32.500 0.127 0.000 0.773 161 K HN 0.194 nan 8.250 nan 0.000 0.479 162 L N 2.654 123.764 121.223 -0.189 0.000 2.371 162 L HA 0.206 4.545 4.340 -0.002 0.000 0.272 162 L C -2.159 174.448 176.870 -0.439 0.000 1.124 162 L CA -2.369 52.138 54.840 -0.554 0.000 0.816 162 L CB -0.111 41.691 42.059 -0.428 0.000 1.129 162 L HN -0.210 nan 8.230 nan 0.000 0.448 163 P HA -0.084 nan 4.420 nan 0.000 0.268 163 P C 0.662 177.827 177.300 -0.225 0.000 1.208 163 P CA -0.076 62.846 63.100 -0.296 0.000 0.777 163 P CB 0.795 32.332 31.700 -0.271 0.000 0.875 164 V N 2.119 121.946 119.914 -0.145 0.000 2.970 164 V HA -0.162 3.957 4.120 -0.002 0.000 0.260 164 V C 1.698 177.727 176.094 -0.108 0.000 1.100 164 V CA 2.623 64.853 62.300 -0.117 0.000 1.122 164 V CB -1.335 30.435 31.823 -0.088 0.000 0.721 164 V HN 0.741 nan 8.190 nan 0.000 0.483 165 T N -1.710 112.779 114.554 -0.108 0.000 2.942 165 T HA -0.031 4.318 4.350 -0.002 0.000 0.265 165 T C 1.887 176.531 174.700 -0.092 0.000 1.062 165 T CA 1.165 63.214 62.100 -0.085 0.000 1.139 165 T CB -0.233 68.595 68.868 -0.067 0.000 0.883 165 T HN 0.335 nan 8.240 nan 0.000 0.468 166 I N 1.546 122.035 120.570 -0.134 0.000 2.226 166 I HA -0.042 4.127 4.170 -0.002 0.000 0.245 166 I C 2.485 178.531 176.117 -0.119 0.000 1.100 166 I CA 1.093 62.314 61.300 -0.131 0.000 1.374 166 I CB -1.037 36.839 38.000 -0.207 0.000 1.057 166 I HN 0.284 nan 8.210 nan 0.000 0.413 167 L N 0.046 121.186 121.223 -0.138 0.000 1.994 167 L HA -0.222 4.117 4.340 -0.002 0.000 0.208 167 L C 2.727 179.528 176.870 -0.116 0.000 1.071 167 L CA 1.528 56.291 54.840 -0.129 0.000 0.745 167 L CB -0.869 41.113 42.059 -0.128 0.000 0.892 167 L HN 0.191 nan 8.230 nan 0.000 0.431 168 S N -0.106 115.536 115.700 -0.096 0.000 2.413 168 S HA -0.251 4.218 4.470 -0.002 0.000 0.237 168 S C 1.978 176.540 174.600 -0.064 0.000 1.044 168 S CA 1.658 59.812 58.200 -0.077 0.000 1.024 168 S CB -0.194 62.971 63.200 -0.058 0.000 0.829 168 S HN 0.373 nan 8.310 nan 0.000 0.475 169 R N -1.111 119.358 120.500 -0.051 0.000 2.334 169 R HA 0.275 4.614 4.340 -0.002 0.000 0.216 169 R C 0.162 176.460 176.300 -0.003 0.000 0.905 169 R CA -0.143 55.961 56.100 0.006 0.000 1.064 169 R CB 0.118 30.438 30.300 0.034 0.000 1.046 169 R HN 0.325 nan 8.270 nan 0.000 0.508 170 C N 0.406 119.630 119.300 -0.127 0.000 2.401 170 C HA 0.470 4.929 4.460 -0.002 0.000 0.356 170 C C 0.159 174.833 174.990 -0.527 0.000 1.192 170 C CA -0.971 57.886 59.018 -0.268 0.000 2.028 170 C CB 1.180 28.795 27.740 -0.209 0.000 2.344 170 C HN 0.293 nan 8.230 nan 0.000 0.525 171 L N 2.049 122.771 121.223 -0.835 0.000 2.265 171 L HA 0.398 4.737 4.340 -0.002 0.000 0.288 171 L C 0.089 176.472 176.870 -0.812 0.000 1.058 171 L CA 0.211 54.498 54.840 -0.922 0.000 0.809 171 L CB 0.659 41.975 42.059 -1.238 0.000 1.179 171 L HN 0.702 nan 8.230 nan 0.000 0.429 172 Q N 3.022 122.428 119.800 -0.658 0.000 2.314 172 Q HA 0.411 4.750 4.340 -0.002 0.000 0.259 172 Q C -1.587 174.111 176.000 -0.502 0.000 0.951 172 Q CA -0.627 54.900 55.803 -0.461 0.000 0.909 172 Q CB 1.147 29.744 28.738 -0.235 0.000 1.236 172 Q HN 0.366 nan 8.270 nan 0.000 0.444 173 F N 2.597 122.489 119.950 -0.097 0.000 2.375 173 F HA 0.219 4.745 4.527 -0.002 0.000 0.361 173 F C -0.181 175.720 175.800 0.168 0.000 1.117 173 F CA -0.792 57.232 58.000 0.040 0.000 1.037 173 F CB 1.035 40.058 39.000 0.038 0.000 1.192 173 F HN 0.577 nan 8.300 nan 0.000 0.452 174 H N 4.466 123.707 119.070 0.285 0.000 2.820 174 H HA 0.384 4.940 4.556 -0.002 0.000 0.278 174 H C -0.447 175.069 175.328 0.314 0.000 1.142 174 H CA -0.363 55.822 56.048 0.227 0.000 1.346 174 H CB 0.331 30.172 29.762 0.133 0.000 1.438 174 H HN 0.482 nan 8.280 nan 0.000 0.473 175 L N 4.811 126.022 121.223 -0.020 0.000 2.453 175 L HA 0.105 4.444 4.340 -0.002 0.000 0.272 175 L C 0.739 177.514 176.870 -0.157 0.000 1.182 175 L CA 0.173 54.997 54.840 -0.028 0.000 0.858 175 L CB 0.465 42.487 42.059 -0.062 0.000 1.120 175 L HN 0.621 nan 8.230 nan 0.000 0.474 176 K N 1.679 122.109 120.400 0.050 0.000 2.138 176 K HA 0.464 4.783 4.320 -0.002 0.000 0.251 176 K C 0.081 176.671 176.600 -0.016 0.000 1.015 176 K CA -0.614 55.684 56.287 0.019 0.000 0.917 176 K CB 0.846 33.397 32.500 0.086 0.000 1.021 176 K HN 0.710 nan 8.250 nan 0.000 0.485 177 A N 1.722 124.538 122.820 -0.007 0.000 2.386 177 A HA 0.252 4.571 4.320 -0.002 0.000 0.248 177 A C -0.159 177.424 177.584 -0.001 0.000 1.082 177 A CA -0.442 51.591 52.037 -0.006 0.000 0.789 177 A CB 0.041 19.043 19.000 0.004 0.000 1.025 177 A HN 0.593 nan 8.150 nan 0.000 0.490 178 L N 1.563 122.782 121.223 -0.007 0.000 2.349 178 L HA 0.165 4.504 4.340 -0.002 0.000 0.275 178 L C 0.368 177.235 176.870 -0.004 0.000 1.115 178 L CA -0.604 54.231 54.840 -0.008 0.000 0.820 178 L CB 0.702 42.751 42.059 -0.017 0.000 1.135 178 L HN 0.741 nan 8.230 nan 0.000 0.445 179 D N 1.862 122.260 120.400 -0.003 0.000 2.455 179 D HA 0.006 4.645 4.640 -0.002 0.000 0.241 179 D C 1.134 177.432 176.300 -0.003 0.000 1.138 179 D CA -0.241 53.757 54.000 -0.003 0.000 0.877 179 D CB 1.527 42.324 40.800 -0.005 0.000 1.187 179 D HN 0.268 nan 8.370 nan 0.000 0.451 180 V N 3.525 123.438 119.914 -0.002 0.000 2.252 180 V HA -0.335 3.784 4.120 -0.002 0.000 0.255 180 V C 2.266 178.361 176.094 0.002 0.000 1.071 180 V CA 2.533 64.832 62.300 -0.000 0.000 1.050 180 V CB -1.044 30.780 31.823 0.001 0.000 0.654 180 V HN 0.696 nan 8.190 nan 0.000 0.448 181 E N 0.202 120.403 120.200 0.002 0.000 2.072 181 E HA -0.211 4.138 4.350 -0.002 0.000 0.191 181 E C 2.222 178.832 176.600 0.017 0.000 0.985 181 E CA 1.606 58.011 56.400 0.009 0.000 0.801 181 E CB -0.414 29.284 29.700 -0.003 0.000 0.750 181 E HN 0.695 nan 8.360 nan 0.000 0.452 182 Q N 0.094 119.896 119.800 0.003 0.000 2.045 182 Q HA -0.196 4.143 4.340 -0.002 0.000 0.206 182 Q C 2.383 178.391 176.000 0.013 0.000 0.991 182 Q CA 2.083 57.889 55.803 0.005 0.000 0.851 182 Q CB -0.353 28.379 28.738 -0.010 0.000 0.911 182 Q HN 0.435 nan 8.270 nan 0.000 0.418 183 I N 0.176 120.745 120.570 -0.003 0.000 2.335 183 I HA -0.294 3.875 4.170 -0.002 0.000 0.251 183 I C 2.650 178.756 176.117 -0.019 0.000 1.129 183 I CA 1.100 62.389 61.300 -0.017 0.000 1.402 183 I CB -0.377 37.612 38.000 -0.018 0.000 1.069 183 I HN 0.218 nan 8.210 nan 0.000 0.424 184 R N 0.080 120.583 120.500 0.004 0.000 2.075 184 R HA -0.157 4.182 4.340 -0.002 0.000 0.226 184 R C 2.544 178.851 176.300 0.012 0.000 1.114 184 R CA 1.020 57.121 56.100 0.001 0.000 0.972 184 R CB -0.396 29.915 30.300 0.017 0.000 0.869 184 R HN 0.430 nan 8.270 nan 0.000 0.437 185 H N 0.278 119.318 119.070 -0.050 0.000 2.319 185 H HA -0.196 4.359 4.556 -0.002 0.000 0.299 185 H C 1.918 177.205 175.328 -0.069 0.000 1.092 185 H CA 2.240 58.260 56.048 -0.046 0.000 1.302 185 H CB 0.270 30.008 29.762 -0.040 0.000 1.373 185 H HN 0.217 nan 8.280 nan 0.000 0.497 186 Q N 0.907 120.670 119.800 -0.063 0.000 2.135 186 Q HA -0.104 4.235 4.340 -0.002 0.000 0.204 186 Q C 2.561 178.432 176.000 -0.214 0.000 0.981 186 Q CA 1.419 57.126 55.803 -0.161 0.000 0.856 186 Q CB -0.407 28.265 28.738 -0.110 0.000 0.902 186 Q HN 0.552 nan 8.270 nan 0.000 0.425 187 L N -0.133 120.981 121.223 -0.182 0.000 2.056 187 L HA -0.130 4.209 4.340 -0.002 0.000 0.207 187 L C 2.501 179.185 176.870 -0.309 0.000 1.078 187 L CA 1.628 56.335 54.840 -0.222 0.000 0.749 187 L CB -0.397 41.568 42.059 -0.156 0.000 0.901 187 L HN 0.379 nan 8.230 nan 0.000 0.433 188 E N -0.610 119.419 120.200 -0.286 0.000 2.031 188 E HA -0.309 4.040 4.350 -0.002 0.000 0.193 188 E C 2.284 178.675 176.600 -0.348 0.000 0.994 188 E CA 1.351 57.540 56.400 -0.352 0.000 0.800 188 E CB -0.145 29.439 29.700 -0.193 0.000 0.752 188 E HN 0.444 nan 8.360 nan 0.000 0.447 189 H N 0.977 119.785 119.070 -0.436 0.000 2.289 189 H HA -0.160 4.395 4.556 -0.002 0.000 0.296 189 H C 2.193 177.234 175.328 -0.478 0.000 1.091 189 H CA 2.164 57.964 56.048 -0.415 0.000 1.274 189 H CB -0.292 29.218 29.762 -0.420 0.000 1.364 189 H HN 0.270 nan 8.280 nan 0.000 0.490 190 I N 0.682 120.980 120.570 -0.452 0.000 2.127 190 I HA -0.320 3.849 4.170 -0.002 0.000 0.241 190 I C 2.868 178.667 176.117 -0.530 0.000 1.075 190 I CA 1.109 61.914 61.300 -0.825 0.000 1.334 190 I CB -0.410 37.002 38.000 -0.980 0.000 1.040 190 I HN 0.215 nan 8.210 nan 0.000 0.405 191 L N 0.486 121.454 121.223 -0.424 0.000 2.127 191 L HA -0.233 4.106 4.340 -0.002 0.000 0.211 191 L C 2.298 179.022 176.870 -0.243 0.000 1.089 191 L CA 1.086 55.739 54.840 -0.312 0.000 0.757 191 L CB -0.754 41.047 42.059 -0.430 0.000 0.899 191 L HN 0.346 nan 8.230 nan 0.000 0.434 192 N N -0.196 118.319 118.700 -0.309 0.000 2.062 192 N HA -0.160 4.579 4.740 -0.002 0.000 0.191 192 N C 1.811 177.094 175.510 -0.379 0.000 1.042 192 N CA 1.094 53.991 53.050 -0.255 0.000 0.845 192 N CB -0.180 38.159 38.487 -0.247 0.000 1.024 192 N HN 0.221 nan 8.380 nan 0.000 0.424 193 E N 1.102 121.070 120.200 -0.386 0.000 2.118 193 E HA -0.146 4.203 4.350 -0.002 0.000 0.195 193 E C 1.460 177.986 176.600 -0.123 0.000 0.992 193 E CA 0.744 56.990 56.400 -0.256 0.000 0.804 193 E CB -0.093 29.590 29.700 -0.029 0.000 0.741 193 E HN 0.401 nan 8.360 nan 0.000 0.458 194 E N -0.011 120.187 120.200 -0.004 0.000 2.338 194 E HA -0.108 4.241 4.350 -0.002 0.000 0.197 194 E C -0.227 176.469 176.600 0.159 0.000 1.007 194 E CA 0.306 56.792 56.400 0.143 0.000 0.849 194 E CB -0.128 29.666 29.700 0.156 0.000 0.774 194 E HN 0.369 nan 8.360 nan 0.000 0.506 195 H N -0.767 118.331 119.070 0.047 0.000 2.904 195 H HA -0.147 4.408 4.556 -0.002 0.000 0.333 195 H C -0.217 175.139 175.328 0.046 0.000 1.271 195 H CA 0.664 56.736 56.048 0.040 0.000 1.183 195 H CB -2.094 27.690 29.762 0.037 0.000 1.519 195 H HN 0.155 nan 8.280 nan 0.000 0.441 196 I N -0.040 120.596 120.570 0.110 0.000 2.569 196 I HA 0.517 4.686 4.170 -0.002 0.000 0.296 196 I C 0.840 177.047 176.117 0.150 0.000 1.028 196 I CA -0.857 60.507 61.300 0.105 0.000 1.082 196 I CB 2.085 40.127 38.000 0.069 0.000 1.264 196 I HN 0.316 nan 8.210 nan 0.000 0.429 197 A N 4.914 127.802 122.820 0.114 0.000 2.450 197 A HA 0.471 4.790 4.320 -0.002 0.000 0.255 197 A C -0.529 177.140 177.584 0.143 0.000 1.096 197 A CA 0.191 52.282 52.037 0.089 0.000 0.778 197 A CB -0.323 18.691 19.000 0.023 0.000 1.031 197 A HN 0.929 nan 8.150 nan 0.000 0.494 198 H N -0.549 118.510 119.070 -0.020 0.000 2.980 198 H HA 0.727 5.282 4.556 -0.002 0.000 0.367 198 H C -1.209 174.108 175.328 -0.020 0.000 1.206 198 H CA -0.980 55.054 56.048 -0.023 0.000 1.126 198 H CB 1.165 30.906 29.762 -0.035 0.000 1.838 198 H HN 0.519 nan 8.280 nan 0.000 0.552 199 E N 2.491 122.708 120.200 0.028 0.000 2.145 199 E HA 0.153 4.502 4.350 -0.002 0.000 0.270 199 E C -2.014 174.613 176.600 0.045 0.000 0.906 199 E CA -2.210 54.179 56.400 -0.018 0.000 0.761 199 E CB 1.747 31.439 29.700 -0.012 0.000 1.116 199 E HN 0.493 nan 8.360 nan 0.000 0.408 200 P HA -0.314 nan 4.420 nan 0.000 0.224 200 P C 1.318 178.644 177.300 0.044 0.000 1.153 200 P CA 1.615 64.751 63.100 0.059 0.000 0.947 200 P CB 0.197 31.912 31.700 0.024 0.000 0.790 201 R N -0.251 120.263 120.500 0.024 0.000 2.193 201 R HA -0.021 4.318 4.340 -0.002 0.000 0.229 201 R C 1.898 178.208 176.300 0.017 0.000 1.110 201 R CA 1.725 57.834 56.100 0.016 0.000 0.988 201 R CB -1.240 29.065 30.300 0.008 0.000 0.871 201 R HN 0.133 nan 8.270 nan 0.000 0.458 202 A N 0.203 123.038 122.820 0.024 0.000 2.067 202 A HA 0.084 4.403 4.320 -0.002 0.000 0.217 202 A C 2.028 179.622 177.584 0.018 0.000 1.156 202 A CA 0.738 52.787 52.037 0.020 0.000 0.683 202 A CB -0.263 18.752 19.000 0.025 0.000 0.808 202 A HN 0.345 nan 8.150 nan 0.000 0.455 203 L N -1.101 120.138 121.223 0.028 0.000 2.109 203 L HA -0.148 4.191 4.340 -0.002 0.000 0.207 203 L C 2.782 179.654 176.870 0.004 0.000 1.086 203 L CA 0.806 55.651 54.840 0.008 0.000 0.760 203 L CB -0.584 41.482 42.059 0.012 0.000 0.910 203 L HN 0.340 nan 8.230 nan 0.000 0.437 204 Q N 0.523 120.331 119.800 0.012 0.000 2.029 204 Q HA -0.219 4.120 4.340 -0.002 0.000 0.209 204 Q C 2.365 178.366 176.000 0.003 0.000 0.999 204 Q CA 1.777 57.585 55.803 0.009 0.000 0.857 204 Q CB -0.692 28.052 28.738 0.011 0.000 0.926 204 Q HN 0.488 nan 8.270 nan 0.000 0.415 205 L N -0.001 121.223 121.223 0.003 0.000 2.043 205 L HA -0.233 4.106 4.340 -0.002 0.000 0.212 205 L C 2.553 179.421 176.870 -0.003 0.000 1.075 205 L CA 1.047 55.886 54.840 -0.001 0.000 0.752 205 L CB -0.650 41.408 42.059 -0.002 0.000 0.891 205 L HN 0.205 nan 8.230 nan 0.000 0.432 206 L N -0.413 120.807 121.223 -0.005 0.000 2.056 206 L HA -0.173 4.166 4.340 -0.002 0.000 0.207 206 L C 2.894 179.758 176.870 -0.011 0.000 1.078 206 L CA 1.161 55.995 54.840 -0.010 0.000 0.749 206 L CB -0.620 41.429 42.059 -0.017 0.000 0.901 206 L HN 0.234 nan 8.230 nan 0.000 0.433 207 A N -0.360 122.453 122.820 -0.011 0.000 1.902 207 A HA -0.175 4.144 4.320 -0.002 0.000 0.217 207 A C 2.343 179.924 177.584 -0.005 0.000 1.181 207 A CA 1.157 53.188 52.037 -0.010 0.000 0.623 207 A CB -0.366 18.630 19.000 -0.008 0.000 0.818 207 A HN 0.222 nan 8.150 nan 0.000 0.443 208 R N -0.170 120.329 120.500 -0.002 0.000 2.094 208 R HA -0.139 4.200 4.340 -0.002 0.000 0.239 208 R C 2.331 178.631 176.300 0.000 0.000 1.137 208 R CA 1.652 57.752 56.100 -0.000 0.000 0.943 208 R CB -1.411 28.889 30.300 0.001 0.000 0.850 208 R HN 0.528 nan 8.270 nan 0.000 0.433 209 A N 0.855 123.675 122.820 -0.001 0.000 2.121 209 A HA 0.062 4.381 4.320 -0.002 0.000 0.218 209 A C 2.253 179.838 177.584 0.001 0.000 1.154 209 A CA 1.329 53.366 52.037 0.000 0.000 0.679 209 A CB -0.371 18.628 19.000 -0.002 0.000 0.795 209 A HN 0.344 nan 8.150 nan 0.000 0.458 210 A N -0.870 121.949 122.820 -0.002 0.000 2.070 210 A HA -0.001 4.318 4.320 -0.002 0.000 0.220 210 A C 1.016 178.601 177.584 0.002 0.000 1.159 210 A CA 1.358 53.394 52.037 -0.002 0.000 0.656 210 A CB -0.432 18.564 19.000 -0.008 0.000 0.800 210 A HN 0.666 nan 8.150 nan 0.000 0.453 211 E N -2.972 117.230 120.200 0.003 0.000 2.297 211 E HA -0.215 4.134 4.350 -0.002 0.000 0.228 211 E C 0.829 177.434 176.600 0.007 0.000 1.213 211 E CA 0.689 57.093 56.400 0.007 0.000 0.712 211 E CB -1.601 28.105 29.700 0.011 0.000 1.202 211 E HN 1.558 nan 8.360 nan 0.000 0.376 212 G N -0.852 107.950 108.800 0.003 0.000 2.213 212 G HA2 -0.308 3.651 3.960 -0.002 0.000 0.236 212 G HA3 -0.308 3.651 3.960 -0.002 0.000 0.236 212 G C 0.097 174.995 174.900 -0.003 0.000 0.991 212 G CA 0.352 45.453 45.100 0.002 0.000 0.629 212 G HN 1.073 nan 8.290 nan 0.000 0.517 213 S N -0.126 115.573 115.700 -0.003 0.000 2.552 213 S HA 0.685 5.154 4.470 -0.002 0.000 0.314 213 S C 1.394 175.988 174.600 -0.010 0.000 1.099 213 S CA -0.151 58.045 58.200 -0.006 0.000 1.070 213 S CB 1.580 64.781 63.200 0.001 0.000 0.998 213 S HN 0.437 nan 8.310 nan 0.000 0.474 214 L N 3.747 124.960 121.223 -0.016 0.000 2.042 214 L HA -0.091 4.248 4.340 -0.002 0.000 0.210 214 L C 2.821 179.683 176.870 -0.013 0.000 1.076 214 L CA 1.741 56.569 54.840 -0.020 0.000 0.749 214 L CB -0.266 41.777 42.059 -0.027 0.000 0.893 214 L HN 0.826 nan 8.230 nan 0.000 0.432 215 R N -0.009 120.488 120.500 -0.004 0.000 2.062 215 R HA -0.192 4.147 4.340 -0.002 0.000 0.231 215 R C 1.873 178.176 176.300 0.005 0.000 1.136 215 R CA 1.960 58.063 56.100 0.004 0.000 0.948 215 R CB -0.297 30.008 30.300 0.010 0.000 0.845 215 R HN 0.190 nan 8.270 nan 0.000 0.430 216 D N 0.204 120.607 120.400 0.004 0.000 2.157 216 D HA -0.221 4.418 4.640 -0.002 0.000 0.191 216 D C 1.735 178.036 176.300 0.000 0.000 1.004 216 D CA 2.115 56.118 54.000 0.006 0.000 0.854 216 D CB -0.245 40.559 40.800 0.006 0.000 0.936 216 D HN 0.474 nan 8.370 nan 0.000 0.446 217 A N -0.174 122.642 122.820 -0.007 0.000 1.902 217 A HA -0.117 4.202 4.320 -0.002 0.000 0.217 217 A C 2.291 179.863 177.584 -0.020 0.000 1.181 217 A CA 0.985 53.012 52.037 -0.016 0.000 0.623 217 A CB -0.629 18.355 19.000 -0.026 0.000 0.818 217 A HN 0.268 nan 8.150 nan 0.000 0.443 218 L N -0.657 120.556 121.223 -0.016 0.000 2.109 218 L HA -0.094 4.245 4.340 -0.002 0.000 0.207 218 L C 2.758 179.632 176.870 0.008 0.000 1.086 218 L CA 1.209 56.042 54.840 -0.012 0.000 0.760 218 L CB -0.433 41.627 42.059 0.001 0.000 0.910 218 L HN 0.317 nan 8.230 nan 0.000 0.437 219 S N 0.362 116.070 115.700 0.013 0.000 2.382 219 S HA -0.121 4.348 4.470 -0.002 0.000 0.228 219 S C 1.995 176.605 174.600 0.017 0.000 1.027 219 S CA 1.125 59.338 58.200 0.021 0.000 0.991 219 S CB -0.259 62.954 63.200 0.021 0.000 0.823 219 S HN 0.289 nan 8.310 nan 0.000 0.469 220 L N 1.102 122.329 121.223 0.007 0.000 2.083 220 L HA -0.133 4.206 4.340 -0.002 0.000 0.209 220 L C 2.655 179.527 176.870 0.003 0.000 1.083 220 L CA 1.213 56.055 54.840 0.004 0.000 0.752 220 L CB -1.156 40.902 42.059 -0.002 0.000 0.899 220 L HN 0.321 nan 8.230 nan 0.000 0.433 221 T N -1.434 113.118 114.554 -0.003 0.000 2.746 221 T HA -0.206 4.143 4.350 -0.002 0.000 0.267 221 T C 1.588 176.296 174.700 0.013 0.000 1.039 221 T CA 1.391 63.487 62.100 -0.007 0.000 1.142 221 T CB -0.217 68.632 68.868 -0.031 0.000 0.866 221 T HN 0.278 nan 8.240 nan 0.000 0.444 222 D N 0.565 120.983 120.400 0.029 0.000 2.178 222 D HA -0.068 4.571 4.640 -0.002 0.000 0.202 222 D C 2.206 178.531 176.300 0.041 0.000 0.974 222 D CA 0.715 54.747 54.000 0.054 0.000 0.841 222 D CB -0.119 40.729 40.800 0.080 0.000 0.953 222 D HN 0.439 nan 8.370 nan 0.000 0.478 223 Q N 0.187 120.004 119.800 0.029 0.000 2.046 223 Q HA -0.147 4.192 4.340 -0.002 0.000 0.200 223 Q C 2.091 178.100 176.000 0.014 0.000 0.975 223 Q CA 1.387 57.202 55.803 0.021 0.000 0.836 223 Q CB -0.037 28.710 28.738 0.015 0.000 0.896 223 Q HN 0.176 nan 8.270 nan 0.000 0.428 224 A N 1.354 124.181 122.820 0.011 0.000 1.896 224 A HA -0.256 4.063 4.320 -0.002 0.000 0.220 224 A C 1.982 179.573 177.584 0.012 0.000 1.206 224 A CA 2.048 54.090 52.037 0.009 0.000 0.647 224 A CB -1.064 17.940 19.000 0.006 0.000 0.828 224 A HN 0.520 nan 8.150 nan 0.000 0.455 225 I N -0.601 119.980 120.570 0.018 0.000 2.361 225 I HA -0.250 3.919 4.170 -0.002 0.000 0.251 225 I C 2.826 178.951 176.117 0.013 0.000 1.133 225 I CA 0.981 62.293 61.300 0.020 0.000 1.413 225 I CB -0.434 37.584 38.000 0.032 0.000 1.073 225 I HN 0.394 nan 8.210 nan 0.000 0.424 226 A N 0.177 123.004 122.820 0.013 0.000 1.843 226 A HA -0.180 4.139 4.320 -0.002 0.000 0.213 226 A C 2.491 180.077 177.584 0.002 0.000 1.202 226 A CA 1.647 53.687 52.037 0.005 0.000 0.607 226 A CB -0.943 18.061 19.000 0.007 0.000 0.847 226 A HN 0.342 nan 8.150 nan 0.000 0.445 227 S N -0.263 115.440 115.700 0.004 0.000 2.392 227 S HA -0.130 4.339 4.470 -0.002 0.000 0.232 227 S C 1.799 176.399 174.600 -0.000 0.000 1.041 227 S CA 2.046 60.246 58.200 0.001 0.000 1.026 227 S CB -0.622 62.578 63.200 0.000 0.000 0.845 227 S HN 0.755 nan 8.310 nan 0.000 0.465 228 G N -0.867 107.934 108.800 0.003 0.000 2.985 228 G HA2 0.132 4.091 3.960 -0.002 0.000 0.209 228 G HA3 0.132 4.091 3.960 -0.002 0.000 0.209 228 G C 0.403 175.305 174.900 0.002 0.000 1.165 228 G CA 0.728 45.830 45.100 0.003 0.000 0.776 228 G HN 0.543 nan 8.290 nan 0.000 0.541 229 D N -2.128 118.273 120.400 0.000 0.000 3.006 229 D HA -0.158 4.481 4.640 -0.002 0.000 0.205 229 D C 1.511 177.811 176.300 0.000 0.000 1.075 229 D CA 2.067 56.066 54.000 -0.002 0.000 1.000 229 D CB -1.318 39.480 40.800 -0.003 0.000 1.097 229 D HN 0.968 nan 8.370 nan 0.000 0.426 230 G N -1.114 107.689 108.800 0.005 0.000 2.797 230 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.195 230 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.195 230 G C 0.107 175.020 174.900 0.021 0.000 1.026 230 G CA 0.181 45.288 45.100 0.011 0.000 0.759 230 G HN 0.410 nan 8.290 nan 0.000 0.475 231 Q N 0.176 119.987 119.800 0.018 0.000 2.235 231 Q HA 0.607 4.946 4.340 -0.002 0.000 0.256 231 Q C -0.452 175.565 176.000 0.028 0.000 0.951 231 Q CA -0.618 55.200 55.803 0.026 0.000 0.890 231 Q CB 2.815 31.563 28.738 0.017 0.000 1.279 231 Q HN 0.076 nan 8.270 nan 0.000 0.444 232 V N 3.029 122.969 119.914 0.043 0.000 2.174 232 V HA 0.087 4.206 4.120 -0.002 0.000 0.259 232 V C 0.082 176.202 176.094 0.044 0.000 1.261 232 V CA -0.111 62.214 62.300 0.042 0.000 1.137 232 V CB -0.066 31.785 31.823 0.047 0.000 1.290 232 V HN 0.757 nan 8.190 nan 0.000 0.486 233 S N 2.085 117.799 115.700 0.023 0.000 2.672 233 S HA 0.291 4.760 4.470 -0.002 0.000 0.276 233 S C 1.291 175.898 174.600 0.010 0.000 1.207 233 S CA -0.087 58.121 58.200 0.014 0.000 1.002 233 S CB 1.595 64.798 63.200 0.004 0.000 0.998 233 S HN 0.474 nan 8.310 nan 0.000 0.542 234 T N 1.626 116.183 114.554 0.006 0.000 2.708 234 T HA -0.147 4.202 4.350 -0.002 0.000 0.266 234 T C 1.930 176.629 174.700 -0.002 0.000 1.037 234 T CA 1.728 63.829 62.100 0.003 0.000 1.146 234 T CB -0.545 68.323 68.868 -0.000 0.000 0.865 234 T HN 0.661 nan 8.240 nan 0.000 0.435 235 Q N 0.609 120.406 119.800 -0.005 0.000 2.096 235 Q HA -0.195 4.144 4.340 -0.002 0.000 0.208 235 Q C 2.737 178.732 176.000 -0.009 0.000 0.993 235 Q CA 1.778 57.576 55.803 -0.008 0.000 0.862 235 Q CB -0.414 28.320 28.738 -0.008 0.000 0.915 235 Q HN 0.596 nan 8.270 nan 0.000 0.416 236 A N 0.366 123.183 122.820 -0.005 0.000 1.832 236 A HA -0.141 4.178 4.320 -0.002 0.000 0.214 236 A C 2.362 179.942 177.584 -0.006 0.000 1.200 236 A CA 1.459 53.493 52.037 -0.005 0.000 0.610 236 A CB -1.025 17.975 19.000 -0.001 0.000 0.842 236 A HN 0.212 nan 8.150 nan 0.000 0.444 237 V N 1.277 121.190 119.914 -0.003 0.000 2.277 237 V HA -0.344 3.775 4.120 -0.002 0.000 0.253 237 V C 3.071 179.159 176.094 -0.010 0.000 1.067 237 V CA 2.858 65.156 62.300 -0.004 0.000 1.047 237 V CB -1.059 30.764 31.823 -0.000 0.000 0.649 237 V HN 0.848 nan 8.190 nan 0.000 0.447 238 S N 0.539 116.232 115.700 -0.012 0.000 2.368 238 S HA -0.136 4.333 4.470 -0.002 0.000 0.224 238 S C 2.113 176.698 174.600 -0.026 0.000 1.029 238 S CA 1.306 59.496 58.200 -0.018 0.000 0.988 238 S CB -0.615 62.575 63.200 -0.017 0.000 0.838 238 S HN 0.635 nan 8.310 nan 0.000 0.462 239 A N 2.423 125.228 122.820 -0.024 0.000 1.902 239 A HA -0.001 4.318 4.320 -0.002 0.000 0.217 239 A C 2.335 179.900 177.584 -0.031 0.000 1.181 239 A CA 1.804 53.823 52.037 -0.030 0.000 0.623 239 A CB -0.812 18.174 19.000 -0.025 0.000 0.818 239 A HN 0.661 nan 8.150 nan 0.000 0.443 240 M N -0.660 118.927 119.600 -0.023 0.000 2.077 240 M HA -0.074 4.405 4.480 -0.002 0.000 0.261 240 M C 1.999 178.285 176.300 -0.023 0.000 1.070 240 M CA 1.818 57.106 55.300 -0.020 0.000 1.125 240 M CB -0.299 32.294 32.600 -0.011 0.000 1.339 240 M HN 0.360 nan 8.290 nan 0.000 0.409 241 L N 0.009 121.219 121.223 -0.021 0.000 2.131 241 L HA -0.093 4.246 4.340 -0.002 0.000 0.210 241 L C 1.607 178.456 176.870 -0.035 0.000 1.092 241 L CA 1.300 56.126 54.840 -0.022 0.000 0.759 241 L CB -0.545 41.503 42.059 -0.017 0.000 0.903 241 L HN 0.823 nan 8.230 nan 0.000 0.435 242 G N -1.333 107.439 108.800 -0.046 0.000 2.168 242 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.197 242 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.197 242 G C 0.345 175.203 174.900 -0.071 0.000 0.997 242 G CA 0.052 45.109 45.100 -0.071 0.000 0.658 242 G HN 0.215 nan 8.290 nan 0.000 0.513 243 T N 1.250 115.775 114.554 -0.049 0.000 2.923 243 T HA 0.276 4.625 4.350 -0.002 0.000 0.320 243 T C 0.849 175.520 174.700 -0.048 0.000 1.074 243 T CA 0.482 62.558 62.100 -0.040 0.000 1.131 243 T CB 0.842 69.693 68.868 -0.027 0.000 1.058 243 T HN 0.373 nan 8.240 nan 0.000 0.535 244 L N 2.924 124.123 121.223 -0.039 0.000 2.343 244 L HA 0.348 4.687 4.340 -0.002 0.000 0.275 244 L C 0.400 177.253 176.870 -0.029 0.000 1.056 244 L CA -1.130 53.686 54.840 -0.041 0.000 0.804 244 L CB 1.026 43.065 42.059 -0.033 0.000 1.203 244 L HN 0.726 nan 8.230 nan 0.000 0.440 245 D N 0.339 120.721 120.400 -0.030 0.000 2.325 245 D HA -0.030 4.609 4.640 -0.002 0.000 0.251 245 D C 0.443 176.733 176.300 -0.016 0.000 1.196 245 D CA -0.398 53.589 54.000 -0.021 0.000 0.866 245 D CB 1.192 41.978 40.800 -0.023 0.000 1.101 245 D HN 0.397 nan 8.370 nan 0.000 0.476 246 D N 2.047 122.441 120.400 -0.010 0.000 2.239 246 D HA -0.244 4.395 4.640 -0.002 0.000 0.202 246 D C 1.090 177.387 176.300 -0.005 0.000 0.993 246 D CA 1.005 55.002 54.000 -0.005 0.000 0.874 246 D CB 0.111 40.911 40.800 -0.000 0.000 0.922 246 D HN 0.634 nan 8.370 nan 0.000 0.464 247 D N -0.047 120.348 120.400 -0.008 0.000 2.077 247 D HA -0.174 4.465 4.640 -0.002 0.000 0.193 247 D C 2.014 178.309 176.300 -0.008 0.000 0.989 247 D CA 1.402 55.397 54.000 -0.008 0.000 0.831 247 D CB -0.239 40.556 40.800 -0.008 0.000 0.979 247 D HN 0.137 nan 8.370 nan 0.000 0.449 248 Q N -0.498 119.295 119.800 -0.011 0.000 2.182 248 Q HA -0.313 4.026 4.340 -0.002 0.000 0.213 248 Q C 1.982 177.979 176.000 -0.004 0.000 1.000 248 Q CA 2.117 57.914 55.803 -0.009 0.000 0.889 248 Q CB -0.327 28.401 28.738 -0.017 0.000 0.932 248 Q HN 0.407 nan 8.270 nan 0.000 0.415 249 A N 0.222 123.040 122.820 -0.003 0.000 1.845 249 A HA -0.201 4.118 4.320 -0.002 0.000 0.215 249 A C 1.926 179.509 177.584 -0.003 0.000 1.195 249 A CA 1.439 53.478 52.037 0.003 0.000 0.616 249 A CB -1.004 18.000 19.000 0.006 0.000 0.832 249 A HN 0.465 nan 8.150 nan 0.000 0.443 250 L N 0.539 121.759 121.223 -0.004 0.000 1.978 250 L HA -0.204 4.135 4.340 -0.002 0.000 0.218 250 L C 2.514 179.371 176.870 -0.021 0.000 1.075 250 L CA 2.809 57.642 54.840 -0.011 0.000 0.767 250 L CB -1.141 40.914 42.059 -0.007 0.000 0.890 250 L HN 0.371 nan 8.230 nan 0.000 0.434 251 S N -0.503 115.187 115.700 -0.017 0.000 2.399 251 S HA -0.280 4.189 4.470 -0.002 0.000 0.235 251 S C 1.973 176.555 174.600 -0.029 0.000 1.063 251 S CA 2.046 60.233 58.200 -0.021 0.000 1.070 251 S CB -0.619 62.573 63.200 -0.013 0.000 0.904 251 S HN 0.495 nan 8.310 nan 0.000 0.456 252 L N 0.567 121.775 121.223 -0.026 0.000 2.068 252 L HA -0.052 4.287 4.340 -0.002 0.000 0.204 252 L C 2.344 179.172 176.870 -0.069 0.000 1.076 252 L CA 0.756 55.576 54.840 -0.034 0.000 0.753 252 L CB -0.484 41.569 42.059 -0.010 0.000 0.910 252 L HN 0.178 nan 8.230 nan 0.000 0.439 253 V N 0.213 120.086 119.914 -0.068 0.000 2.278 253 V HA -0.385 3.734 4.120 -0.002 0.000 0.251 253 V C 2.347 178.358 176.094 -0.139 0.000 1.062 253 V CA 2.115 64.349 62.300 -0.110 0.000 1.038 253 V CB -0.553 31.228 31.823 -0.071 0.000 0.646 253 V HN 0.491 nan 8.190 nan 0.000 0.447 254 E N 0.110 120.254 120.200 -0.092 0.000 2.000 254 E HA -0.239 4.110 4.350 -0.002 0.000 0.199 254 E C 2.353 178.889 176.600 -0.105 0.000 1.011 254 E CA 1.336 57.683 56.400 -0.089 0.000 0.836 254 E CB -0.501 29.166 29.700 -0.056 0.000 0.778 254 E HN 0.557 nan 8.360 nan 0.000 0.462 255 A N 1.460 124.231 122.820 -0.081 0.000 2.054 255 A HA -0.279 4.040 4.320 -0.002 0.000 0.223 255 A C 2.100 179.618 177.584 -0.110 0.000 1.169 255 A CA 1.880 53.870 52.037 -0.079 0.000 0.655 255 A CB -0.660 18.309 19.000 -0.052 0.000 0.812 255 A HN 0.327 nan 8.150 nan 0.000 0.462 256 M N 0.135 119.643 119.600 -0.154 0.000 2.099 256 M HA -0.122 4.357 4.480 -0.002 0.000 0.262 256 M C 2.092 178.229 176.300 -0.272 0.000 1.067 256 M CA 2.379 57.550 55.300 -0.215 0.000 1.124 256 M CB -0.247 32.175 32.600 -0.298 0.000 1.353 256 M HN 0.458 nan 8.290 nan 0.000 0.410 257 V N -2.109 117.608 119.914 -0.329 0.000 2.719 257 V HA -0.078 4.041 4.120 -0.002 0.000 0.252 257 V C 1.257 177.182 176.094 -0.281 0.000 1.065 257 V CA 1.451 63.575 62.300 -0.293 0.000 1.086 257 V CB -1.124 30.555 31.823 -0.240 0.000 0.700 257 V HN 0.484 nan 8.190 nan 0.000 0.467 258 E N 1.329 121.383 120.200 -0.244 0.000 2.511 258 E HA 0.370 4.719 4.350 -0.002 0.000 0.196 258 E C 1.399 177.887 176.600 -0.187 0.000 1.066 258 E CA 0.528 56.776 56.400 -0.253 0.000 0.871 258 E CB -0.201 29.423 29.700 -0.126 0.000 0.863 258 E HN 0.844 nan 8.360 nan 0.000 0.520 259 A N 1.927 124.670 122.820 -0.127 0.000 2.826 259 A HA -0.237 4.082 4.320 -0.002 0.000 0.274 259 A C 0.528 178.118 177.584 0.010 0.000 1.443 259 A CA 0.772 52.815 52.037 0.011 0.000 0.833 259 A CB -2.162 16.924 19.000 0.145 0.000 1.023 259 A HN 0.334 nan 8.150 nan 0.000 0.600 260 N N 0.499 119.185 118.700 -0.025 0.000 2.807 260 N HA 0.366 5.105 4.740 -0.002 0.000 0.259 260 N C 1.396 176.899 175.510 -0.012 0.000 1.149 260 N CA 0.811 53.853 53.050 -0.013 0.000 1.042 260 N CB -0.225 38.249 38.487 -0.023 0.000 1.367 260 N HN 0.466 nan 8.380 nan 0.000 0.516 261 G N 1.800 110.600 108.800 -0.001 0.000 2.446 261 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.217 261 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.217 261 G C 1.056 175.953 174.900 -0.006 0.000 1.168 261 G CA 0.607 45.705 45.100 -0.004 0.000 0.771 261 G HN 0.660 nan 8.290 nan 0.000 0.551 262 E N 0.221 120.420 120.200 -0.001 0.000 2.118 262 E HA -0.203 4.146 4.350 -0.002 0.000 0.195 262 E C 2.482 179.081 176.600 -0.002 0.000 0.992 262 E CA 1.147 57.547 56.400 0.000 0.000 0.804 262 E CB -0.107 29.595 29.700 0.003 0.000 0.741 262 E HN 0.436 nan 8.360 nan 0.000 0.458 263 R N 0.006 120.503 120.500 -0.005 0.000 2.073 263 R HA -0.063 4.276 4.340 -0.002 0.000 0.229 263 R C 2.358 178.654 176.300 -0.008 0.000 1.120 263 R CA 1.137 57.233 56.100 -0.006 0.000 0.967 263 R CB -0.333 29.961 30.300 -0.011 0.000 0.862 263 R HN 0.056 nan 8.270 nan 0.000 0.436 264 V N 0.916 120.820 119.914 -0.016 0.000 2.282 264 V HA -0.332 3.787 4.120 -0.002 0.000 0.249 264 V C 2.320 178.411 176.094 -0.005 0.000 1.057 264 V CA 1.875 64.163 62.300 -0.019 0.000 1.032 264 V CB -0.347 31.455 31.823 -0.036 0.000 0.645 264 V HN 0.386 nan 8.190 nan 0.000 0.447 265 M N -0.443 119.153 119.600 -0.006 0.000 2.099 265 M HA -0.063 4.416 4.480 -0.002 0.000 0.262 265 M C 2.420 178.729 176.300 0.015 0.000 1.067 265 M CA 2.166 57.465 55.300 -0.001 0.000 1.124 265 M CB -1.629 30.966 32.600 -0.008 0.000 1.353 265 M HN 0.386 nan 8.290 nan 0.000 0.410 266 A N -0.216 122.612 122.820 0.012 0.000 2.076 266 A HA -0.126 4.193 4.320 -0.002 0.000 0.220 266 A C 2.202 179.801 177.584 0.026 0.000 1.160 266 A CA 1.229 53.277 52.037 0.017 0.000 0.653 266 A CB -0.679 18.327 19.000 0.010 0.000 0.801 266 A HN 0.400 nan 8.150 nan 0.000 0.455 267 L N -1.140 120.099 121.223 0.026 0.000 2.307 267 L HA 0.248 4.587 4.340 -0.002 0.000 0.211 267 L C 1.997 178.906 176.870 0.065 0.000 1.099 267 L CA 1.021 55.880 54.840 0.032 0.000 0.816 267 L CB -0.247 41.822 42.059 0.017 0.000 0.952 267 L HN 0.361 nan 8.230 nan 0.000 0.455 268 I N -0.478 120.143 120.570 0.086 0.000 2.439 268 I HA -0.225 3.944 4.170 -0.002 0.000 0.251 268 I C 2.235 178.478 176.117 0.211 0.000 1.139 268 I CA 0.713 62.117 61.300 0.174 0.000 1.438 268 I CB -0.245 37.823 38.000 0.112 0.000 1.085 268 I HN 0.365 nan 8.210 nan 0.000 0.427 269 N N 1.025 119.797 118.700 0.120 0.000 2.142 269 N HA -0.187 4.552 4.740 -0.002 0.000 0.186 269 N C 1.624 177.186 175.510 0.088 0.000 1.023 269 N CA 1.446 54.560 53.050 0.106 0.000 0.852 269 N CB 0.102 38.625 38.487 0.060 0.000 0.998 269 N HN 0.439 nan 8.380 nan 0.000 0.424 270 E N 0.277 120.512 120.200 0.060 0.000 2.208 270 E HA -0.010 4.339 4.350 -0.002 0.000 0.193 270 E C 1.961 178.572 176.600 0.019 0.000 0.988 270 E CA 0.697 57.116 56.400 0.032 0.000 0.828 270 E CB -0.040 29.671 29.700 0.018 0.000 0.763 270 E HN 0.349 nan 8.360 nan 0.000 0.478 271 A N 1.888 124.731 122.820 0.038 0.000 1.877 271 A HA -0.144 4.175 4.320 -0.002 0.000 0.216 271 A C 2.475 179.999 177.584 -0.099 0.000 1.186 271 A CA 1.703 53.719 52.037 -0.035 0.000 0.620 271 A CB -0.795 18.212 19.000 0.011 0.000 0.822 271 A HN 0.300 nan 8.150 nan 0.000 0.443 272 A N -0.242 122.631 122.820 0.089 0.000 1.940 272 A HA 0.086 4.405 4.320 -0.002 0.000 0.219 272 A C 2.478 180.083 177.584 0.036 0.000 1.176 272 A CA 2.339 54.467 52.037 0.151 0.000 0.631 272 A CB -0.946 18.252 19.000 0.330 0.000 0.814 272 A HN 1.082 nan 8.150 nan 0.000 0.446 273 A N -0.445 122.390 122.820 0.026 0.000 1.897 273 A HA -0.077 4.242 4.320 -0.002 0.000 0.215 273 A C 2.149 179.715 177.584 -0.030 0.000 1.181 273 A CA 1.207 53.248 52.037 0.005 0.000 0.620 273 A CB -0.388 18.619 19.000 0.011 0.000 0.821 273 A HN 0.512 nan 8.150 nan 0.000 0.443 274 R N -0.782 119.685 120.500 -0.055 0.000 2.328 274 R HA 0.107 4.446 4.340 -0.002 0.000 0.207 274 R C 0.845 177.078 176.300 -0.111 0.000 1.056 274 R CA 0.435 56.491 56.100 -0.074 0.000 1.016 274 R CB -0.394 29.860 30.300 -0.077 0.000 0.872 274 R HN 0.682 nan 8.270 nan 0.000 0.471 275 G N 2.060 110.774 108.800 -0.145 0.000 2.422 275 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.290 275 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.290 275 G C -0.177 174.549 174.900 -0.290 0.000 1.059 275 G CA -0.220 44.766 45.100 -0.190 0.000 1.242 275 G HN 0.259 nan 8.290 nan 0.000 0.520 276 I N -0.115 120.159 120.570 -0.493 0.000 2.488 276 I HA 0.295 4.464 4.170 -0.002 0.000 0.299 276 I C 0.932 176.660 176.117 -0.648 0.000 0.984 276 I CA -0.649 60.346 61.300 -0.509 0.000 1.250 276 I CB 1.304 39.006 38.000 -0.497 0.000 1.389 276 I HN 0.389 nan 8.210 nan 0.000 0.488 277 E N 5.689 125.666 120.200 -0.372 0.000 2.029 277 E HA -0.010 4.339 4.350 -0.002 0.000 0.276 277 E C 0.054 176.536 176.600 -0.197 0.000 1.163 277 E CA -0.131 56.097 56.400 -0.287 0.000 0.909 277 E CB 0.395 30.025 29.700 -0.116 0.000 1.046 277 E HN 0.514 nan 8.360 nan 0.000 0.406 278 W N 3.450 124.746 121.300 -0.007 0.000 2.275 278 W HA -0.301 4.358 4.660 -0.001 0.000 0.321 278 W C 2.033 178.547 176.519 -0.008 0.000 1.269 278 W CA 1.267 58.607 57.345 -0.008 0.000 1.274 278 W CB -0.183 29.273 29.460 -0.007 0.000 1.141 278 W HN 0.639 nan 8.180 nan 0.000 0.493 279 E N 0.339 120.661 120.200 0.203 0.000 2.118 279 E HA -0.232 4.117 4.350 -0.002 0.000 0.195 279 E C 2.279 178.924 176.600 0.075 0.000 0.992 279 E CA 1.294 57.766 56.400 0.119 0.000 0.804 279 E CB -0.263 29.488 29.700 0.084 0.000 0.741 279 E HN 0.254 nan 8.360 nan 0.000 0.458 280 A N 0.875 123.722 122.820 0.045 0.000 1.877 280 A HA -0.181 4.138 4.320 -0.002 0.000 0.216 280 A C 2.067 179.665 177.584 0.024 0.000 1.186 280 A CA 1.114 53.160 52.037 0.015 0.000 0.620 280 A CB -0.721 18.267 19.000 -0.021 0.000 0.822 280 A HN 0.314 nan 8.150 nan 0.000 0.443 281 L N -0.176 121.070 121.223 0.038 0.000 1.941 281 L HA -0.242 4.097 4.340 -0.002 0.000 0.224 281 L C 2.493 179.401 176.870 0.064 0.000 1.081 281 L CA 2.212 57.089 54.840 0.062 0.000 0.784 281 L CB -0.641 41.504 42.059 0.143 0.000 0.894 281 L HN 0.469 nan 8.230 nan 0.000 0.436 282 L N -1.564 119.710 121.223 0.086 0.000 2.085 282 L HA -0.359 3.980 4.340 -0.002 0.000 0.218 282 L C 2.317 179.201 176.870 0.023 0.000 1.080 282 L CA 1.609 56.478 54.840 0.047 0.000 0.776 282 L CB -0.734 41.354 42.059 0.048 0.000 0.891 282 L HN 0.249 nan 8.230 nan 0.000 0.437 283 V N -0.712 119.219 119.914 0.029 0.000 2.283 283 V HA -0.239 3.880 4.120 -0.002 0.000 0.243 283 V C 2.419 178.531 176.094 0.031 0.000 1.039 283 V CA 1.823 64.136 62.300 0.021 0.000 1.016 283 V CB -0.327 31.508 31.823 0.020 0.000 0.650 283 V HN 0.421 nan 8.190 nan 0.000 0.449 284 E N 0.115 120.333 120.200 0.029 0.000 2.097 284 E HA -0.256 4.093 4.350 -0.002 0.000 0.196 284 E C 2.152 178.778 176.600 0.043 0.000 1.000 284 E CA 1.939 58.358 56.400 0.032 0.000 0.804 284 E CB -0.271 29.441 29.700 0.020 0.000 0.740 284 E HN 0.498 nan 8.360 nan 0.000 0.454 285 M N -0.398 119.225 119.600 0.038 0.000 2.099 285 M HA -0.134 4.345 4.480 -0.002 0.000 0.262 285 M C 2.318 178.661 176.300 0.072 0.000 1.067 285 M CA 1.241 56.565 55.300 0.040 0.000 1.124 285 M CB -0.356 32.257 32.600 0.020 0.000 1.353 285 M HN 0.206 nan 8.290 nan 0.000 0.410 286 L N -0.292 120.969 121.223 0.063 0.000 2.051 286 L HA -0.213 4.126 4.340 -0.002 0.000 0.214 286 L C 2.586 179.592 176.870 0.227 0.000 1.076 286 L CA 1.515 56.427 54.840 0.121 0.000 0.758 286 L CB -1.252 40.814 42.059 0.011 0.000 0.890 286 L HN 0.443 nan 8.230 nan 0.000 0.433 287 G N -0.472 108.417 108.800 0.148 0.000 2.422 287 G HA2 -0.145 3.814 3.960 -0.002 0.000 0.218 287 G HA3 -0.145 3.814 3.960 -0.002 0.000 0.218 287 G C 1.606 176.617 174.900 0.185 0.000 1.140 287 G CA 0.335 45.528 45.100 0.155 0.000 0.775 287 G HN 0.218 nan 8.290 nan 0.000 0.545 288 L N -0.037 121.264 121.223 0.130 0.000 2.023 288 L HA 0.053 4.392 4.340 -0.002 0.000 0.205 288 L C 2.882 179.816 176.870 0.106 0.000 1.073 288 L CA 0.475 55.373 54.840 0.096 0.000 0.745 288 L CB -0.553 41.539 42.059 0.056 0.000 0.900 288 L HN 0.139 nan 8.230 nan 0.000 0.435 289 L N -0.421 120.884 121.223 0.136 0.000 2.089 289 L HA -0.334 4.005 4.340 -0.002 0.000 0.213 289 L C 2.785 179.745 176.870 0.149 0.000 1.079 289 L CA 1.644 56.581 54.840 0.162 0.000 0.758 289 L CB -1.004 41.211 42.059 0.260 0.000 0.891 289 L HN 0.512 nan 8.230 nan 0.000 0.433 290 H N 0.228 119.354 119.070 0.094 0.000 2.299 290 H HA -0.134 4.421 4.556 -0.002 0.000 0.302 290 H C 2.402 177.733 175.328 0.006 0.000 1.078 290 H CA 1.232 57.289 56.048 0.015 0.000 1.323 290 H CB 0.151 29.934 29.762 0.035 0.000 1.381 290 H HN 0.110 nan 8.280 nan 0.000 0.498 291 R N 0.942 121.390 120.500 -0.088 0.000 2.148 291 R HA -0.170 4.169 4.340 -0.002 0.000 0.230 291 R C 2.822 179.032 176.300 -0.150 0.000 1.120 291 R CA 1.536 57.551 56.100 -0.142 0.000 0.902 291 R CB -1.282 29.018 30.300 -0.000 0.000 0.839 291 R HN 0.468 nan 8.270 nan 0.000 0.431 292 I N 0.539 121.076 120.570 -0.055 0.000 2.132 292 I HA -0.410 3.759 4.170 -0.002 0.000 0.238 292 I C 2.407 178.490 176.117 -0.057 0.000 1.012 292 I CA 2.148 63.428 61.300 -0.034 0.000 1.288 292 I CB -0.690 37.315 38.000 0.008 0.000 0.997 292 I HN 0.269 nan 8.210 nan 0.000 0.402 293 A N -0.087 122.695 122.820 -0.064 0.000 2.032 293 A HA -0.224 4.095 4.320 -0.002 0.000 0.221 293 A C 2.339 179.853 177.584 -0.116 0.000 1.165 293 A CA 1.695 53.689 52.037 -0.071 0.000 0.645 293 A CB -0.470 18.486 19.000 -0.073 0.000 0.807 293 A HN 0.407 nan 8.150 nan 0.000 0.453 294 M N -0.891 118.590 119.600 -0.198 0.000 2.098 294 M HA -0.084 4.395 4.480 -0.002 0.000 0.262 294 M C 2.252 178.484 176.300 -0.114 0.000 1.072 294 M CA 1.285 56.462 55.300 -0.206 0.000 1.133 294 M CB -0.936 31.455 32.600 -0.348 0.000 1.344 294 M HN 0.279 nan 8.290 nan 0.000 0.414 295 V N 0.813 120.670 119.914 -0.095 0.000 2.255 295 V HA -0.323 3.796 4.120 -0.002 0.000 0.247 295 V C 2.255 178.326 176.094 -0.040 0.000 1.051 295 V CA 1.803 64.070 62.300 -0.054 0.000 1.018 295 V CB -1.065 30.734 31.823 -0.040 0.000 0.641 295 V HN 0.535 nan 8.190 nan 0.000 0.445 296 Q N -0.913 118.865 119.800 -0.036 0.000 2.315 296 Q HA -0.306 4.033 4.340 -0.002 0.000 0.213 296 Q C 2.124 178.109 176.000 -0.026 0.000 0.994 296 Q CA 2.000 57.788 55.803 -0.024 0.000 0.906 296 Q CB -0.385 28.342 28.738 -0.020 0.000 0.918 296 Q HN 0.524 nan 8.270 nan 0.000 0.427 297 L N -0.094 121.107 121.223 -0.036 0.000 2.022 297 L HA -0.019 4.320 4.340 -0.002 0.000 0.204 297 L C 0.804 177.660 176.870 -0.024 0.000 1.076 297 L CA 1.395 56.216 54.840 -0.031 0.000 0.749 297 L CB 0.149 42.185 42.059 -0.039 0.000 0.903 297 L HN 0.104 nan 8.230 nan 0.000 0.439 298 S N -2.342 113.343 115.700 -0.026 0.000 2.614 298 S HA 0.467 4.936 4.470 -0.002 0.000 0.288 298 S C -2.089 172.499 174.600 -0.020 0.000 1.137 298 S CA -1.232 56.956 58.200 -0.019 0.000 0.992 298 S CB 1.454 64.645 63.200 -0.015 0.000 1.026 298 S HN -0.060 nan 8.310 nan 0.000 0.486 299 P HA -0.140 nan 4.420 nan 0.000 0.218 299 P C 1.369 178.662 177.300 -0.012 0.000 1.150 299 P CA 2.021 65.114 63.100 -0.012 0.000 0.841 299 P CB -0.043 31.652 31.700 -0.008 0.000 0.784 300 A N -0.753 122.061 122.820 -0.010 0.000 2.206 300 A HA 0.167 4.486 4.320 -0.002 0.000 0.211 300 A C 2.092 179.671 177.584 -0.008 0.000 1.158 300 A CA 1.120 53.153 52.037 -0.007 0.000 0.761 300 A CB -1.094 17.903 19.000 -0.005 0.000 0.801 300 A HN 0.197 nan 8.150 nan 0.000 0.473 301 A N -0.804 122.007 122.820 -0.015 0.000 2.209 301 A HA 0.296 4.615 4.320 -0.002 0.000 0.212 301 A C 0.900 178.474 177.584 -0.017 0.000 1.158 301 A CA 0.200 52.226 52.037 -0.019 0.000 0.742 301 A CB -0.468 18.510 19.000 -0.037 0.000 0.790 301 A HN 0.567 nan 8.150 nan 0.000 0.472 302 L N 0.563 121.777 121.223 -0.014 0.000 2.380 302 L HA 0.569 4.908 4.340 -0.002 0.000 0.273 302 L C 0.794 177.666 176.870 0.003 0.000 1.138 302 L CA -0.075 54.761 54.840 -0.007 0.000 0.832 302 L CB 0.460 42.515 42.059 -0.007 0.000 1.124 302 L HN 0.149 nan 8.230 nan 0.000 0.454 303 G N 3.122 111.928 108.800 0.011 0.000 2.606 303 G HA2 0.042 4.001 3.960 -0.002 0.000 0.252 303 G HA3 0.042 4.001 3.960 -0.002 0.000 0.252 303 G C 0.685 175.591 174.900 0.010 0.000 1.206 303 G CA -0.405 44.703 45.100 0.013 0.000 0.861 303 G HN 0.825 nan 8.290 nan 0.000 0.561 304 N N 0.771 119.476 118.700 0.009 0.000 2.205 304 N HA -0.127 4.612 4.740 -0.002 0.000 0.186 304 N C 1.596 177.111 175.510 0.008 0.000 1.015 304 N CA 1.419 54.473 53.050 0.007 0.000 0.862 304 N CB -0.052 38.439 38.487 0.007 0.000 0.986 304 N HN 0.651 nan 8.380 nan 0.000 0.429 305 D N 0.096 120.502 120.400 0.010 0.000 2.384 305 D HA -0.111 4.528 4.640 -0.002 0.000 0.222 305 D C 1.381 177.687 176.300 0.011 0.000 0.976 305 D CA 0.619 54.626 54.000 0.011 0.000 0.915 305 D CB 0.006 40.815 40.800 0.015 0.000 0.896 305 D HN 0.325 nan 8.370 nan 0.000 0.523 306 M N -0.006 119.600 119.600 0.010 0.000 2.514 306 M HA 0.218 4.697 4.480 -0.002 0.000 0.258 306 M C 2.293 178.597 176.300 0.006 0.000 1.159 306 M CA 0.157 55.463 55.300 0.010 0.000 1.116 306 M CB -0.296 32.310 32.600 0.011 0.000 1.333 306 M HN -0.026 nan 8.290 nan 0.000 0.487 307 A N 1.849 124.672 122.820 0.005 0.000 1.698 307 A HA -0.375 3.944 4.320 -0.002 0.000 0.304 307 A C 2.274 179.859 177.584 0.002 0.000 3.354 307 A CA 3.497 55.536 52.037 0.003 0.000 0.884 307 A CB -1.562 17.439 19.000 0.003 0.000 0.798 307 A HN 0.556 nan 8.150 nan 0.000 0.543 308 A N -1.742 121.079 122.820 0.002 0.000 2.125 308 A HA 0.143 4.462 4.320 -0.002 0.000 0.219 308 A C 2.020 179.604 177.584 0.001 0.000 1.156 308 A CA 1.593 53.631 52.037 0.001 0.000 0.671 308 A CB -0.462 18.538 19.000 0.000 0.000 0.794 308 A HN 0.641 nan 8.150 nan 0.000 0.459 309 I N -0.577 119.994 120.570 0.002 0.000 3.462 309 I HA -0.088 4.081 4.170 -0.002 0.000 0.290 309 I C 2.269 178.387 176.117 0.001 0.000 1.236 309 I CA 0.831 62.132 61.300 0.002 0.000 1.418 309 I CB -0.093 37.910 38.000 0.004 0.000 1.102 309 I HN 0.589 nan 8.210 nan 0.000 0.441 310 E N 1.270 121.471 120.200 0.002 0.000 2.219 310 E HA -0.271 4.078 4.350 -0.002 0.000 0.198 310 E C 2.084 178.684 176.600 0.000 0.000 0.998 310 E CA 1.229 57.630 56.400 0.001 0.000 0.818 310 E CB -0.246 29.454 29.700 0.001 0.000 0.741 310 E HN 0.316 nan 8.360 nan 0.000 0.477 311 L N 1.157 122.380 121.223 -0.000 0.000 2.093 311 L HA -0.050 4.289 4.340 -0.002 0.000 0.208 311 L C 2.379 179.248 176.870 -0.001 0.000 1.085 311 L CA 1.618 56.457 54.840 -0.000 0.000 0.755 311 L CB -0.208 41.851 42.059 -0.001 0.000 0.904 311 L HN 0.068 nan 8.230 nan 0.000 0.435 312 R N -2.078 118.421 120.500 -0.002 0.000 2.161 312 R HA 0.018 4.357 4.340 -0.002 0.000 0.213 312 R C 2.018 178.316 176.300 -0.003 0.000 1.055 312 R CA 0.629 56.727 56.100 -0.004 0.000 0.996 312 R CB -0.163 30.133 30.300 -0.006 0.000 0.901 312 R HN 0.301 nan 8.270 nan 0.000 0.456 313 M N 0.593 120.193 119.600 -0.001 0.000 2.064 313 M HA -0.085 4.394 4.480 -0.002 0.000 0.260 313 M C 2.130 178.430 176.300 -0.001 0.000 1.073 313 M CA 1.589 56.889 55.300 -0.000 0.000 1.124 313 M CB -0.667 31.933 32.600 0.001 0.000 1.326 313 M HN 0.017 nan 8.290 nan 0.000 0.410 314 R N 0.248 120.747 120.500 -0.001 0.000 2.117 314 R HA -0.155 4.184 4.340 -0.002 0.000 0.243 314 R C 1.947 178.248 176.300 0.002 0.000 1.143 314 R CA 1.073 57.172 56.100 -0.001 0.000 0.968 314 R CB -0.709 29.590 30.300 -0.001 0.000 0.863 314 R HN 0.485 nan 8.270 nan 0.000 0.444 315 E N 1.028 121.229 120.200 0.003 0.000 2.012 315 E HA -0.157 4.192 4.350 -0.002 0.000 0.197 315 E C 2.299 178.904 176.600 0.009 0.000 1.007 315 E CA 1.001 57.404 56.400 0.005 0.000 0.816 315 E CB -0.406 29.296 29.700 0.003 0.000 0.762 315 E HN 0.268 nan 8.360 nan 0.000 0.451 316 L N 0.718 121.945 121.223 0.007 0.000 2.089 316 L HA -0.265 4.074 4.340 -0.002 0.000 0.213 316 L C 2.539 179.422 176.870 0.022 0.000 1.079 316 L CA 1.370 56.217 54.840 0.012 0.000 0.758 316 L CB -0.489 41.572 42.059 0.003 0.000 0.891 316 L HN 0.106 nan 8.230 nan 0.000 0.433 317 A N 0.074 122.902 122.820 0.014 0.000 1.858 317 A HA -0.231 4.088 4.320 -0.002 0.000 0.216 317 A C 2.363 179.957 177.584 0.017 0.000 1.190 317 A CA 1.795 53.839 52.037 0.012 0.000 0.617 317 A CB -0.489 18.511 19.000 -0.001 0.000 0.827 317 A HN 0.339 nan 8.150 nan 0.000 0.443 318 R N -0.888 119.621 120.500 0.014 0.000 2.073 318 R HA -0.085 4.254 4.340 -0.002 0.000 0.234 318 R C 2.370 178.686 176.300 0.026 0.000 1.134 318 R CA 1.965 58.075 56.100 0.016 0.000 0.952 318 R CB -0.883 29.425 30.300 0.012 0.000 0.850 318 R HN 0.581 nan 8.270 nan 0.000 0.433 319 T N 1.541 116.114 114.554 0.032 0.000 2.668 319 T HA -0.000 4.349 4.350 -0.002 0.000 0.262 319 T C 1.159 175.898 174.700 0.066 0.000 1.045 319 T CA 0.815 62.942 62.100 0.046 0.000 1.152 319 T CB -0.090 68.805 68.868 0.045 0.000 0.864 319 T HN 0.049 nan 8.240 nan 0.000 0.419 320 I N 3.551 124.166 120.570 0.076 0.000 2.441 320 I HA 0.229 4.398 4.170 -0.002 0.000 0.287 320 I C -2.477 173.694 176.117 0.090 0.000 1.049 320 I CA -2.524 58.843 61.300 0.112 0.000 1.381 320 I CB 0.531 38.616 38.000 0.142 0.000 1.409 320 I HN 0.019 nan 8.210 nan 0.000 0.523 321 P HA 0.170 nan 4.420 nan 0.000 0.271 321 P C -2.172 175.160 177.300 0.052 0.000 1.216 321 P CA -1.377 61.755 63.100 0.053 0.000 0.771 321 P CB 0.115 31.839 31.700 0.039 0.000 0.864 322 P HA -0.213 nan 4.420 nan 0.000 0.216 322 P C 1.478 178.792 177.300 0.023 0.000 1.157 322 P CA 2.017 65.131 63.100 0.024 0.000 0.880 322 P CB -0.452 31.251 31.700 0.005 0.000 0.791 323 T N -0.537 114.021 114.554 0.007 0.000 2.653 323 T HA -0.186 4.162 4.350 -0.002 0.000 0.268 323 T C 1.283 175.973 174.700 -0.016 0.000 1.035 323 T CA 1.958 64.051 62.100 -0.011 0.000 1.154 323 T CB -1.065 67.787 68.868 -0.026 0.000 0.862 323 T HN 0.155 nan 8.240 nan 0.000 0.441 324 D N 0.207 120.602 120.400 -0.008 0.000 2.317 324 D HA 0.117 4.756 4.640 -0.002 0.000 0.211 324 D C 1.910 178.202 176.300 -0.013 0.000 0.966 324 D CA 0.308 54.273 54.000 -0.059 0.000 0.876 324 D CB -0.118 40.674 40.800 -0.013 0.000 0.927 324 D HN 0.388 nan 8.370 nan 0.000 0.519 325 I N 0.455 121.102 120.570 0.128 0.000 2.584 325 I HA -0.154 4.015 4.170 -0.002 0.000 0.255 325 I C 2.121 178.372 176.117 0.224 0.000 1.145 325 I CA 0.504 61.958 61.300 0.257 0.000 1.462 325 I CB 0.114 38.224 38.000 0.182 0.000 1.102 325 I HN -0.088 nan 8.210 nan 0.000 0.433 326 Q N 0.633 120.508 119.800 0.124 0.000 2.124 326 Q HA -0.111 4.228 4.340 -0.002 0.000 0.202 326 Q C 2.347 178.459 176.000 0.186 0.000 0.977 326 Q CA 1.310 57.193 55.803 0.134 0.000 0.850 326 Q CB -0.196 28.578 28.738 0.059 0.000 0.901 326 Q HN 0.528 nan 8.270 nan 0.000 0.429 327 L N -0.710 120.577 121.223 0.106 0.000 2.093 327 L HA -0.176 4.163 4.340 -0.002 0.000 0.208 327 L C 2.241 179.305 176.870 0.323 0.000 1.085 327 L CA 1.001 55.929 54.840 0.146 0.000 0.755 327 L CB -0.606 41.425 42.059 -0.046 0.000 0.904 327 L HN 0.176 nan 8.230 nan 0.000 0.435 328 Y N -0.810 119.683 120.300 0.322 0.000 2.114 328 Y HA -0.317 4.232 4.550 -0.001 0.000 0.284 328 Y C 2.621 178.619 175.900 0.163 0.000 1.143 328 Y CA 1.429 59.645 58.100 0.193 0.000 1.135 328 Y CB -1.162 37.384 38.460 0.144 0.000 0.980 328 Y HN 0.089 nan 8.280 nan 0.000 0.499 329 Y N 0.921 121.366 120.300 0.241 0.000 2.070 329 Y HA -0.371 4.178 4.550 -0.002 0.000 0.280 329 Y C 2.755 178.729 175.900 0.123 0.000 1.148 329 Y CA 2.299 60.491 58.100 0.153 0.000 1.125 329 Y CB -0.792 37.747 38.460 0.132 0.000 0.975 329 Y HN 0.179 nan 8.280 nan 0.000 0.492 330 Q N -0.207 119.768 119.800 0.290 0.000 2.142 330 Q HA -0.252 4.087 4.340 -0.002 0.000 0.213 330 Q C 2.028 178.067 176.000 0.066 0.000 1.004 330 Q CA 3.287 59.185 55.803 0.158 0.000 0.883 330 Q CB -0.608 28.248 28.738 0.196 0.000 0.939 330 Q HN 0.548 nan 8.270 nan 0.000 0.413 331 T N 0.146 114.770 114.554 0.117 0.000 2.942 331 T HA 0.050 4.399 4.350 -0.002 0.000 0.265 331 T C 1.496 176.195 174.700 -0.002 0.000 1.062 331 T CA 0.965 63.111 62.100 0.078 0.000 1.139 331 T CB 0.010 68.934 68.868 0.094 0.000 0.883 331 T HN 0.237 nan 8.240 nan 0.000 0.468 332 L N 0.478 121.684 121.223 -0.027 0.000 2.270 332 L HA 0.108 4.447 4.340 -0.002 0.000 0.210 332 L C 2.336 179.134 176.870 -0.119 0.000 1.104 332 L CA 0.363 55.163 54.840 -0.067 0.000 0.804 332 L CB -0.562 41.463 42.059 -0.057 0.000 0.937 332 L HN 0.235 nan 8.230 nan 0.000 0.450 333 L N 0.931 122.027 121.223 -0.213 0.000 1.976 333 L HA -0.180 4.159 4.340 -0.002 0.000 0.209 333 L C 2.370 179.175 176.870 -0.107 0.000 1.071 333 L CA 1.798 56.499 54.840 -0.231 0.000 0.746 333 L CB -0.658 41.174 42.059 -0.378 0.000 0.890 333 L HN 0.066 nan 8.230 nan 0.000 0.432 334 I N -0.021 120.506 120.570 -0.071 0.000 2.236 334 I HA -0.313 3.856 4.170 -0.002 0.000 0.249 334 I C 2.379 178.475 176.117 -0.035 0.000 1.102 334 I CA 1.520 62.797 61.300 -0.039 0.000 1.365 334 I CB -1.032 36.959 38.000 -0.014 0.000 1.051 334 I HN 0.511 nan 8.210 nan 0.000 0.420 335 G N 0.266 109.044 108.800 -0.037 0.000 2.421 335 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.217 335 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.217 335 G C 1.750 176.641 174.900 -0.016 0.000 1.143 335 G CA 0.499 45.582 45.100 -0.029 0.000 0.784 335 G HN 0.326 nan 8.290 nan 0.000 0.541 336 R N 0.856 121.343 120.500 -0.020 0.000 2.075 336 R HA -0.036 4.303 4.340 -0.002 0.000 0.232 336 R C 2.407 178.719 176.300 0.021 0.000 1.126 336 R CA 1.791 57.893 56.100 0.003 0.000 0.963 336 R CB -0.324 29.968 30.300 -0.014 0.000 0.858 336 R HN 0.371 nan 8.270 nan 0.000 0.435 337 K N 0.710 121.109 120.400 -0.002 0.000 2.026 337 K HA -0.163 4.156 4.320 -0.002 0.000 0.208 337 K C 1.104 177.714 176.600 0.017 0.000 1.048 337 K CA 1.994 58.282 56.287 0.001 0.000 0.929 337 K CB 0.008 32.487 32.500 -0.035 0.000 0.713 337 K HN 0.251 nan 8.250 nan 0.000 0.439 338 E N 0.504 120.702 120.200 -0.003 0.000 2.445 338 E HA -0.036 4.313 4.350 -0.002 0.000 0.189 338 E C 1.204 177.880 176.600 0.127 0.000 1.069 338 E CA -0.334 56.069 56.400 0.005 0.000 0.871 338 E CB 0.248 29.922 29.700 -0.044 0.000 0.991 338 E HN 0.220 nan 8.360 nan 0.000 0.481 339 L N 1.754 123.052 121.223 0.124 0.000 1.988 339 L HA -0.053 4.286 4.340 -0.002 0.000 0.207 339 L C -1.076 175.868 176.870 0.124 0.000 1.071 339 L CA 1.996 56.893 54.840 0.096 0.000 0.744 339 L CB -0.980 41.120 42.059 0.068 0.000 0.893 339 L HN 0.018 nan 8.230 nan 0.000 0.433 340 P HA -0.093 nan 4.420 nan 0.000 0.239 340 P C 0.409 177.613 177.300 -0.160 0.000 1.184 340 P CA 1.181 64.276 63.100 -0.008 0.000 0.760 340 P CB -0.146 31.514 31.700 -0.066 0.000 0.884 341 Y N -0.725 119.570 120.300 -0.009 0.000 2.509 341 Y HA 0.346 4.896 4.550 -0.001 0.000 0.270 341 Y C 1.604 177.494 175.900 -0.016 0.000 1.103 341 Y CA -0.411 57.684 58.100 -0.009 0.000 1.278 341 Y CB -0.736 37.719 38.460 -0.008 0.000 1.087 341 Y HN -0.161 nan 8.280 nan 0.000 0.542 342 A N 0.855 123.734 122.820 0.098 0.000 2.304 342 A HA 0.280 4.599 4.320 -0.002 0.000 0.271 342 A C -1.362 176.217 177.584 -0.008 0.000 1.091 342 A CA -1.144 50.913 52.037 0.032 0.000 0.812 342 A CB -0.097 18.903 19.000 0.000 0.000 1.056 342 A HN 0.090 nan 8.150 nan 0.000 0.489 343 P HA -0.074 nan 4.420 nan 0.000 0.217 343 P C -0.148 177.132 177.300 -0.033 0.000 1.148 343 P CA 1.446 64.532 63.100 -0.023 0.000 0.828 343 P CB 0.138 31.825 31.700 -0.021 0.000 0.783 344 D N -3.019 117.349 120.400 -0.053 0.000 2.493 344 D HA 0.227 4.866 4.640 -0.002 0.000 0.239 344 D C 1.217 177.463 176.300 -0.089 0.000 1.049 344 D CA -0.663 53.302 54.000 -0.058 0.000 1.008 344 D CB 1.210 41.958 40.800 -0.086 0.000 1.398 344 D HN -0.158 nan 8.370 nan 0.000 0.513 345 R N 0.213 120.671 120.500 -0.070 0.000 2.075 345 R HA 0.008 4.347 4.340 -0.002 0.000 0.226 345 R C 2.015 178.006 176.300 -0.516 0.000 1.114 345 R CA 0.560 56.589 56.100 -0.119 0.000 0.972 345 R CB 0.073 30.463 30.300 0.149 0.000 0.869 345 R HN 0.340 nan 8.270 nan 0.000 0.437 346 R N 1.435 121.529 120.500 -0.676 0.000 2.073 346 R HA -0.102 4.237 4.340 -0.002 0.000 0.234 346 R C 2.290 178.213 176.300 -0.629 0.000 1.134 346 R CA 1.664 57.099 56.100 -1.109 0.000 0.952 346 R CB -0.268 29.684 30.300 -0.579 0.000 0.850 346 R HN 0.144 nan 8.270 nan 0.000 0.433 347 M N 0.180 119.579 119.600 -0.335 0.000 2.260 347 M HA -0.118 4.361 4.480 -0.002 0.000 0.261 347 M C 1.815 177.989 176.300 -0.209 0.000 1.066 347 M CA 2.136 57.303 55.300 -0.221 0.000 1.082 347 M CB -0.205 32.317 32.600 -0.129 0.000 1.388 347 M HN 0.424 nan 8.290 nan 0.000 0.419 348 G N -1.002 107.663 108.800 -0.225 0.000 2.403 348 G HA2 -0.114 3.845 3.960 -0.002 0.000 0.216 348 G HA3 -0.114 3.845 3.960 -0.002 0.000 0.216 348 G C 1.266 176.061 174.900 -0.175 0.000 1.154 348 G CA 0.752 45.760 45.100 -0.153 0.000 0.784 348 G HN 0.390 nan 8.290 nan 0.000 0.538 349 V N 0.796 120.537 119.914 -0.288 0.000 2.407 349 V HA -0.154 3.965 4.120 -0.002 0.000 0.248 349 V C 2.615 178.582 176.094 -0.212 0.000 1.055 349 V CA 2.023 64.174 62.300 -0.250 0.000 1.049 349 V CB -0.429 31.175 31.823 -0.364 0.000 0.662 349 V HN 0.451 nan 8.190 nan 0.000 0.455 350 E N 0.089 120.138 120.200 -0.252 0.000 2.047 350 E HA -0.180 4.169 4.350 -0.002 0.000 0.191 350 E C 2.275 178.807 176.600 -0.114 0.000 0.987 350 E CA 1.512 57.812 56.400 -0.168 0.000 0.799 350 E CB -0.210 29.390 29.700 -0.167 0.000 0.752 350 E HN 0.582 nan 8.360 nan 0.000 0.449 351 M N 0.268 119.804 119.600 -0.107 0.000 2.175 351 M HA -0.096 4.383 4.480 -0.002 0.000 0.264 351 M C 2.344 178.602 176.300 -0.069 0.000 1.063 351 M CA 1.200 56.456 55.300 -0.072 0.000 1.119 351 M CB -0.635 31.930 32.600 -0.058 0.000 1.377 351 M HN -0.013 nan 8.290 nan 0.000 0.415 352 T N 1.893 116.400 114.554 -0.079 0.000 2.708 352 T HA -0.039 4.310 4.350 -0.002 0.000 0.266 352 T C 1.959 176.607 174.700 -0.087 0.000 1.037 352 T CA 1.159 63.216 62.100 -0.071 0.000 1.146 352 T CB -0.216 68.613 68.868 -0.064 0.000 0.865 352 T HN 0.306 nan 8.240 nan 0.000 0.435 353 L N 0.323 121.493 121.223 -0.089 0.000 2.072 353 L HA 0.018 4.357 4.340 -0.002 0.000 0.205 353 L C 2.518 179.330 176.870 -0.096 0.000 1.079 353 L CA 0.968 55.752 54.840 -0.093 0.000 0.752 353 L CB -0.554 41.459 42.059 -0.077 0.000 0.906 353 L HN 0.269 nan 8.230 nan 0.000 0.436 354 L N -0.284 120.893 121.223 -0.077 0.000 2.043 354 L HA -0.282 4.057 4.340 -0.002 0.000 0.212 354 L C 2.863 179.695 176.870 -0.062 0.000 1.075 354 L CA 1.421 56.226 54.840 -0.058 0.000 0.752 354 L CB -0.455 41.578 42.059 -0.044 0.000 0.891 354 L HN 0.299 nan 8.230 nan 0.000 0.432 355 R N 0.066 120.520 120.500 -0.077 0.000 2.073 355 R HA -0.169 4.170 4.340 -0.002 0.000 0.234 355 R C 2.317 178.472 176.300 -0.242 0.000 1.134 355 R CA 1.494 57.546 56.100 -0.080 0.000 0.952 355 R CB -0.282 29.987 30.300 -0.051 0.000 0.850 355 R HN 0.326 nan 8.270 nan 0.000 0.433 356 A N 1.040 123.651 122.820 -0.348 0.000 1.972 356 A HA -0.138 4.181 4.320 -0.002 0.000 0.219 356 A C 1.972 179.302 177.584 -0.422 0.000 1.169 356 A CA 0.928 52.577 52.037 -0.647 0.000 0.635 356 A CB -0.503 18.328 19.000 -0.281 0.000 0.810 356 A HN 0.336 nan 8.150 nan 0.000 0.446 357 L N -0.163 120.957 121.223 -0.171 0.000 1.970 357 L HA -0.048 4.291 4.340 -0.002 0.000 0.212 357 L C 2.295 179.202 176.870 0.061 0.000 1.071 357 L CA 2.064 56.881 54.840 -0.038 0.000 0.751 357 L CB -1.205 40.838 42.059 -0.026 0.000 0.889 357 L HN 0.355 nan 8.230 nan 0.000 0.432 358 A N -1.657 121.204 122.820 0.068 0.000 2.478 358 A HA 0.024 4.343 4.320 -0.002 0.000 0.239 358 A C 1.559 179.366 177.584 0.372 0.000 1.480 358 A CA 0.033 52.174 52.037 0.173 0.000 1.308 358 A CB -1.274 17.802 19.000 0.127 0.000 0.899 358 A HN 0.492 nan 8.150 nan 0.000 0.600 359 F N -2.114 117.912 119.950 0.127 0.000 2.453 359 F HA 0.001 4.528 4.527 -0.002 0.000 0.284 359 F C 2.230 178.094 175.800 0.106 0.000 1.065 359 F CA 0.363 58.403 58.000 0.067 0.000 1.411 359 F CB -0.270 38.717 39.000 -0.021 0.000 1.131 359 F HN 0.647 nan 8.300 nan 0.000 0.582 360 H N 1.279 120.529 119.070 0.300 0.000 2.278 360 H HA -0.184 4.371 4.556 -0.002 0.000 0.287 360 H C -1.550 173.849 175.328 0.119 0.000 1.107 360 H CA 1.195 57.372 56.048 0.214 0.000 1.192 360 H CB -1.482 28.385 29.762 0.175 0.000 1.346 360 H HN 0.028 nan 8.280 nan 0.000 0.478 361 P HA 0.183 nan 4.420 nan 0.000 0.286 361 P C 0.036 177.278 177.300 -0.096 0.000 1.269 361 P CA -0.042 62.935 63.100 -0.206 0.000 0.787 361 P CB 1.351 32.952 31.700 -0.165 0.000 0.920 362 R N 1.973 122.411 120.500 -0.104 0.000 2.043 362 R HA 0.317 4.656 4.340 -0.002 0.000 0.221 362 R C 0.443 176.703 176.300 -0.067 0.000 1.196 362 R CA 0.879 56.930 56.100 -0.081 0.000 0.949 362 R CB 0.030 30.287 30.300 -0.072 0.000 0.838 362 R HN 0.459 nan 8.270 nan 0.000 0.446 363 M N 0.000 119.564 119.600 -0.061 0.000 2.572 363 M HA 0.000 4.479 4.480 -0.002 0.000 0.227 363 M CA 0.000 55.272 55.300 -0.047 0.000 0.988 363 M CB 0.000 32.575 32.600 -0.041 0.000 1.302 363 M HN 0.000 nan 8.290 nan 0.000 0.411