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 2ie4_1_A DATA FIRST_RESID 9 DATA SEQUENCE SLYPIAVLID ELRNEDVQLR LNSIKKLSTI ALALGVERTR SELLPFLTDT DATA SEQUENCE IYDEDEVLLA LAEQLGTFTT LVGGPEYVHC LLPPLESLAT VEETVVRDKA DATA SEQUENCE VESLRAISHE HSPSDLEAHF VPLVKRLAGG DWFTSRTSAC GLFSVCYPRV DATA SEQUENCE SSAVKAELRQ YFRNLCSDDT PMVRRAAASK LGEFAKVLEL DNVKSEIIPM DATA SEQUENCE FSNLASDEQD SVRLLAVEAC VNIAQLLPQE DLEALVMPTL RQAAEDKSWR DATA SEQUENCE VRYMVADKFT ELQKAVGPEI TKTDLVPAFQ NLMKDCEAEV RAAASHKVKE DATA SEQUENCE FCENLSADCR ENVIMSQILP CIKELVSDAN QHVKSALASV IMGLSPILGK DATA SEQUENCE DNTIEHLLPL FLAQLKDECP EVRLNIISNL DCVNEVIGIR QLSQSLLPAI DATA SEQUENCE VELAEDAKWR VRLAIIEYMP LLAGQLGVEF FDEKLNSLCM AWLVDHVYAI DATA SEQUENCE REAATSNLKK LVEKFGKEWA HATIIPKVLA MSGDPNYLHR MTTLFCINVL DATA SEQUENCE SEVCGQDITT KHMLPTVLRM AGDPVANVRF NVAKSLQKIG PILDNSTLQS DATA SEQUENCE EVKPILEKLT QDQDVDVKYF AQEALTVLSL A 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.602 174.600 0.004 0.000 1.055 9 S CA 0.000 58.192 58.200 -0.013 0.000 1.107 9 S CB 0.000 63.152 63.200 -0.080 0.000 0.593 10 L N 0.698 121.892 121.223 -0.047 0.000 2.365 10 L HA 0.528 4.868 4.340 -0.001 0.000 0.273 10 L C -0.280 176.574 176.870 -0.027 0.000 1.000 10 L CA -0.691 54.148 54.840 -0.002 0.000 0.819 10 L CB 1.423 43.466 42.059 -0.027 0.000 1.284 10 L HN 0.773 nan 8.230 nan 0.000 0.418 11 Y N 2.825 123.086 120.300 -0.064 0.000 2.574 11 Y HA -0.052 4.497 4.550 -0.001 0.000 0.294 11 Y C -0.602 175.257 175.900 -0.068 0.000 1.142 11 Y CA 0.737 58.800 58.100 -0.062 0.000 1.314 11 Y CB -0.656 37.778 38.460 -0.042 0.000 0.991 11 Y HN 0.525 nan 8.280 nan 0.000 0.555 12 P HA -0.119 nan 4.420 nan 0.000 0.216 12 P C 1.550 178.760 177.300 -0.149 0.000 1.156 12 P CA 1.322 64.406 63.100 -0.027 0.000 0.855 12 P CB 0.167 31.854 31.700 -0.021 0.000 0.786 13 I N 0.426 120.866 120.570 -0.217 0.000 2.439 13 I HA -0.091 4.078 4.170 -0.001 0.000 0.251 13 I C 2.251 178.103 176.117 -0.442 0.000 1.139 13 I CA 1.077 62.169 61.300 -0.346 0.000 1.438 13 I CB -1.884 35.803 38.000 -0.521 0.000 1.085 13 I HN -0.128 nan 8.210 nan 0.000 0.427 14 A N 0.831 123.372 122.820 -0.465 0.000 2.272 14 A HA -0.077 4.243 4.320 -0.001 0.000 0.213 14 A C 2.300 179.577 177.584 -0.511 0.000 1.183 14 A CA 1.024 52.764 52.037 -0.495 0.000 0.719 14 A CB -0.824 17.869 19.000 -0.511 0.000 0.771 14 A HN 0.308 nan 8.150 nan 0.000 0.484 15 V N -1.159 118.477 119.914 -0.464 0.000 2.871 15 V HA -0.132 3.988 4.120 -0.001 0.000 0.256 15 V C 2.213 178.218 176.094 -0.148 0.000 1.082 15 V CA 1.047 63.164 62.300 -0.305 0.000 1.105 15 V CB -0.617 31.088 31.823 -0.195 0.000 0.713 15 V HN 0.460 nan 8.190 nan 0.000 0.473 16 L N -0.373 120.770 121.223 -0.132 0.000 2.109 16 L HA 0.134 4.474 4.340 -0.001 0.000 0.207 16 L C 1.177 178.057 176.870 0.017 0.000 1.086 16 L CA 0.992 55.819 54.840 -0.022 0.000 0.760 16 L CB -0.566 41.517 42.059 0.041 0.000 0.910 16 L HN 0.203 nan 8.230 nan 0.000 0.437 17 I N 0.303 120.864 120.570 -0.016 0.000 2.813 17 I HA -0.077 4.093 4.170 -0.001 0.000 0.287 17 I C 0.369 176.493 176.117 0.010 0.000 1.196 17 I CA 0.232 61.549 61.300 0.030 0.000 1.421 17 I CB 0.181 38.181 38.000 0.000 0.000 1.365 17 I HN 0.049 nan 8.210 nan 0.000 0.591 18 D N 4.589 125.008 120.400 0.033 0.000 2.485 18 D HA 0.138 4.777 4.640 -0.001 0.000 0.256 18 D C 0.610 176.923 176.300 0.021 0.000 1.141 18 D CA -0.352 53.664 54.000 0.026 0.000 0.942 18 D CB 0.646 41.469 40.800 0.039 0.000 1.003 18 D HN 0.370 nan 8.370 nan 0.000 0.507 19 E N 1.386 121.595 120.200 0.016 0.000 2.463 19 E HA -0.026 4.324 4.350 -0.001 0.000 0.201 19 E C 1.527 178.138 176.600 0.018 0.000 1.045 19 E CA 0.599 57.010 56.400 0.018 0.000 0.872 19 E CB 0.165 29.881 29.700 0.026 0.000 0.797 19 E HN 0.597 nan 8.360 nan 0.000 0.538 20 L N -0.655 120.579 121.223 0.019 0.000 2.202 20 L HA 0.090 4.430 4.340 -0.001 0.000 0.205 20 L C 1.648 178.527 176.870 0.014 0.000 1.083 20 L CA 0.347 55.197 54.840 0.017 0.000 0.790 20 L CB -0.070 42.001 42.059 0.020 0.000 0.942 20 L HN 0.004 nan 8.230 nan 0.000 0.452 21 R N 0.576 121.085 120.500 0.014 0.000 2.847 21 R HA 0.085 4.425 4.340 -0.001 0.000 0.157 21 R C 0.183 176.482 176.300 -0.001 0.000 0.803 21 R CA 0.240 56.347 56.100 0.011 0.000 1.442 21 R CB 0.023 30.334 30.300 0.020 0.000 0.748 21 R HN 0.175 nan 8.270 nan 0.000 0.554 22 N N 0.508 119.201 118.700 -0.011 0.000 2.636 22 N HA 0.091 4.831 4.740 -0.001 0.000 0.287 22 N C -0.985 174.486 175.510 -0.064 0.000 1.817 22 N CA -0.062 52.971 53.050 -0.028 0.000 0.842 22 N CB 1.165 39.641 38.487 -0.019 0.000 1.353 22 N HN 0.350 nan 8.380 nan 0.000 0.500 23 E N 0.768 120.912 120.200 -0.094 0.000 3.751 23 E HA 0.261 4.611 4.350 -0.001 0.000 0.281 23 E C -0.351 176.070 176.600 -0.298 0.000 1.086 23 E CA -0.076 56.189 56.400 -0.225 0.000 1.579 23 E CB 0.664 30.244 29.700 -0.200 0.000 1.666 23 E HN 0.155 nan 8.360 nan 0.000 0.655 24 D N 0.535 120.627 120.400 -0.512 0.000 2.502 24 D HA 0.226 4.866 4.640 -0.001 0.000 0.301 24 D C -0.204 175.972 176.300 -0.208 0.000 1.202 24 D CA -0.400 53.385 54.000 -0.359 0.000 0.878 24 D CB 0.876 41.418 40.800 -0.430 0.000 1.062 24 D HN 0.152 nan 8.370 nan 0.000 0.499 25 V N -0.017 119.842 119.914 -0.091 0.000 5.083 25 V HA -0.289 3.831 4.120 -0.001 0.000 0.286 25 V C 0.805 176.930 176.094 0.052 0.000 0.428 25 V CA 0.852 63.157 62.300 0.007 0.000 0.750 25 V CB -2.346 29.489 31.823 0.020 0.000 0.642 25 V HN 0.664 nan 8.190 nan 0.000 1.362 26 Q N 0.054 119.878 119.800 0.039 0.000 2.443 26 Q HA 0.595 4.934 4.340 -0.001 0.000 0.232 26 Q C -0.149 175.927 176.000 0.127 0.000 1.026 26 Q CA -0.232 55.666 55.803 0.159 0.000 0.924 26 Q CB 0.935 29.780 28.738 0.179 0.000 1.256 26 Q HN 0.700 nan 8.270 nan 0.000 0.519 27 L N 1.455 122.755 121.223 0.128 0.000 2.313 27 L HA 0.545 4.885 4.340 -0.001 0.000 0.268 27 L C 0.152 177.066 176.870 0.073 0.000 1.010 27 L CA -1.088 53.814 54.840 0.103 0.000 0.814 27 L CB 1.499 43.619 42.059 0.103 0.000 1.304 27 L HN 0.588 nan 8.230 nan 0.000 0.441 28 R N 1.222 121.755 120.500 0.056 0.000 2.316 28 R HA 0.155 4.494 4.340 -0.001 0.000 0.314 28 R C 0.759 177.080 176.300 0.036 0.000 1.069 28 R CA -0.009 56.115 56.100 0.040 0.000 0.959 28 R CB 0.727 31.043 30.300 0.027 0.000 0.987 28 R HN 0.671 nan 8.270 nan 0.000 0.446 29 L N 4.220 125.462 121.223 0.031 0.000 1.961 29 L HA -0.177 4.163 4.340 -0.001 0.000 0.210 29 L C 0.993 177.876 176.870 0.020 0.000 1.072 29 L CA 1.456 56.310 54.840 0.023 0.000 0.749 29 L CB -0.127 41.943 42.059 0.018 0.000 0.889 29 L HN 0.595 nan 8.230 nan 0.000 0.432 30 N N -0.217 118.495 118.700 0.021 0.000 2.585 30 N HA -0.095 4.645 4.740 -0.001 0.000 0.213 30 N C 0.757 176.280 175.510 0.022 0.000 1.385 30 N CA 0.644 53.706 53.050 0.020 0.000 0.871 30 N CB 0.258 38.756 38.487 0.019 0.000 1.154 30 N HN 0.271 nan 8.380 nan 0.000 0.474 31 S N -1.015 114.699 115.700 0.024 0.000 2.692 31 S HA 0.253 4.723 4.470 -0.001 0.000 0.269 31 S C 1.407 176.025 174.600 0.031 0.000 1.080 31 S CA -0.346 57.869 58.200 0.026 0.000 1.058 31 S CB 0.334 63.547 63.200 0.022 0.000 0.982 31 S HN 0.055 nan 8.310 nan 0.000 0.534 32 I N 2.541 123.128 120.570 0.028 0.000 2.546 32 I HA 0.030 4.200 4.170 -0.001 0.000 0.255 32 I C 1.820 177.949 176.117 0.020 0.000 1.163 32 I CA 1.277 62.591 61.300 0.023 0.000 1.457 32 I CB -0.689 37.316 38.000 0.008 0.000 1.092 32 I HN 0.316 nan 8.210 nan 0.000 0.434 33 K N 0.700 121.113 120.400 0.023 0.000 2.228 33 K HA -0.046 4.274 4.320 -0.001 0.000 0.202 33 K C 1.060 177.687 176.600 0.045 0.000 1.051 33 K CA 0.623 56.927 56.287 0.028 0.000 0.960 33 K CB 0.066 32.580 32.500 0.023 0.000 0.743 33 K HN 0.180 nan 8.250 nan 0.000 0.458 34 K N 1.324 121.751 120.400 0.044 0.000 3.041 34 K HA 0.060 4.380 4.320 -0.001 0.000 0.243 34 K C 0.764 177.406 176.600 0.071 0.000 1.167 34 K CA -0.107 56.210 56.287 0.050 0.000 1.235 34 K CB 0.272 32.794 32.500 0.037 0.000 1.205 34 K HN 0.019 nan 8.250 nan 0.000 0.448 35 L N 0.479 121.761 121.223 0.099 0.000 2.162 35 L HA -0.095 4.245 4.340 -0.001 0.000 0.205 35 L C 1.867 178.896 176.870 0.265 0.000 1.086 35 L CA 1.549 56.481 54.840 0.153 0.000 0.778 35 L CB -0.101 42.021 42.059 0.105 0.000 0.928 35 L HN 0.178 nan 8.230 nan 0.000 0.446 36 S N -2.127 113.740 115.700 0.278 0.000 2.537 36 S HA -0.154 4.315 4.470 -0.001 0.000 0.240 36 S C 1.694 176.325 174.600 0.052 0.000 0.981 36 S CA 1.138 59.455 58.200 0.195 0.000 0.948 36 S CB -1.245 62.038 63.200 0.138 0.000 0.759 36 S HN 0.691 nan 8.310 nan 0.000 0.531 37 T N -0.636 113.958 114.554 0.067 0.000 3.039 37 T HA 0.251 4.600 4.350 -0.001 0.000 0.250 37 T C 1.497 176.210 174.700 0.022 0.000 1.052 37 T CA 0.076 62.192 62.100 0.027 0.000 1.125 37 T CB -0.523 68.362 68.868 0.028 0.000 0.908 37 T HN 0.292 nan 8.240 nan 0.000 0.473 38 I N 2.620 123.217 120.570 0.046 0.000 2.546 38 I HA 0.201 4.370 4.170 -0.001 0.000 0.255 38 I C 2.834 178.965 176.117 0.023 0.000 1.163 38 I CA 0.715 62.032 61.300 0.029 0.000 1.457 38 I CB -0.702 37.317 38.000 0.032 0.000 1.092 38 I HN 0.358 nan 8.210 nan 0.000 0.434 39 A N 0.018 122.860 122.820 0.036 0.000 2.121 39 A HA -0.035 4.285 4.320 -0.001 0.000 0.218 39 A C 2.108 179.643 177.584 -0.081 0.000 1.154 39 A CA 1.063 53.083 52.037 -0.029 0.000 0.679 39 A CB -0.423 18.484 19.000 -0.154 0.000 0.795 39 A HN 0.318 nan 8.150 nan 0.000 0.458 40 L N -1.584 119.603 121.223 -0.060 0.000 2.354 40 L HA 0.058 4.397 4.340 -0.001 0.000 0.212 40 L C 2.831 179.677 176.870 -0.039 0.000 1.091 40 L CA 1.296 56.100 54.840 -0.060 0.000 0.828 40 L CB -1.473 40.556 42.059 -0.051 0.000 0.973 40 L HN 0.437 nan 8.230 nan 0.000 0.461 41 A N 0.995 123.800 122.820 -0.024 0.000 1.829 41 A HA -0.101 4.218 4.320 -0.001 0.000 0.216 41 A C 1.123 178.693 177.584 -0.023 0.000 1.207 41 A CA 0.873 52.900 52.037 -0.016 0.000 0.622 41 A CB -0.764 18.232 19.000 -0.007 0.000 0.846 41 A HN 0.204 nan 8.150 nan 0.000 0.447 42 L N -0.644 120.564 121.223 -0.025 0.000 2.452 42 L HA 0.517 4.857 4.340 -0.001 0.000 0.267 42 L C 1.028 177.870 176.870 -0.046 0.000 1.188 42 L CA 0.354 55.176 54.840 -0.031 0.000 0.821 42 L CB -1.259 40.784 42.059 -0.027 0.000 1.102 42 L HN 0.343 nan 8.230 nan 0.000 0.470 43 G N 0.299 109.066 108.800 -0.055 0.000 2.531 43 G HA2 0.371 4.330 3.960 -0.001 0.000 0.281 43 G HA3 0.371 4.330 3.960 -0.001 0.000 0.281 43 G C 1.010 175.850 174.900 -0.100 0.000 1.382 43 G CA 0.059 45.114 45.100 -0.075 0.000 1.045 43 G HN 0.554 nan 8.290 nan 0.000 0.533 44 V N 0.128 119.965 119.914 -0.128 0.000 2.233 44 V HA -0.269 3.850 4.120 -0.001 0.000 0.252 44 V C 2.761 178.747 176.094 -0.181 0.000 1.063 44 V CA 3.388 65.584 62.300 -0.173 0.000 1.032 44 V CB -0.840 30.860 31.823 -0.206 0.000 0.645 44 V HN 0.789 nan 8.190 nan 0.000 0.446 45 E N 0.349 120.447 120.200 -0.171 0.000 2.049 45 E HA -0.232 4.118 4.350 -0.001 0.000 0.198 45 E C 2.413 178.956 176.600 -0.095 0.000 1.007 45 E CA 1.972 58.282 56.400 -0.150 0.000 0.809 45 E CB -0.505 29.132 29.700 -0.105 0.000 0.749 45 E HN 0.562 nan 8.360 nan 0.000 0.450 46 R N 0.085 120.543 120.500 -0.070 0.000 2.189 46 R HA 0.032 4.372 4.340 -0.001 0.000 0.218 46 R C 2.086 178.370 176.300 -0.026 0.000 1.074 46 R CA 1.249 57.324 56.100 -0.040 0.000 0.991 46 R CB -0.288 29.992 30.300 -0.033 0.000 0.883 46 R HN 0.245 nan 8.270 nan 0.000 0.457 47 T N 0.569 115.099 114.554 -0.040 0.000 2.737 47 T HA -0.084 4.266 4.350 -0.001 0.000 0.265 47 T C 1.843 176.554 174.700 0.019 0.000 1.038 47 T CA 1.084 63.182 62.100 -0.003 0.000 1.144 47 T CB -0.011 68.831 68.868 -0.045 0.000 0.866 47 T HN 0.294 nan 8.240 nan 0.000 0.434 48 R N 1.247 121.728 120.500 -0.033 0.000 2.066 48 R HA -0.056 4.284 4.340 -0.001 0.000 0.232 48 R C 2.930 179.236 176.300 0.010 0.000 1.131 48 R CA 1.760 57.847 56.100 -0.021 0.000 0.955 48 R CB -0.423 29.824 30.300 -0.089 0.000 0.851 48 R HN 0.451 nan 8.270 nan 0.000 0.432 49 S N 0.543 116.242 115.700 -0.003 0.000 2.428 49 S HA -0.116 4.354 4.470 -0.001 0.000 0.230 49 S C 1.453 176.072 174.600 0.032 0.000 1.014 49 S CA 1.318 59.526 58.200 0.015 0.000 0.957 49 S CB -0.042 63.159 63.200 0.002 0.000 0.784 49 S HN 0.579 nan 8.310 nan 0.000 0.499 50 E N -0.626 119.597 120.200 0.038 0.000 2.555 50 E HA 0.266 4.616 4.350 -0.001 0.000 0.209 50 E C 1.579 178.239 176.600 0.101 0.000 0.847 50 E CA -0.246 56.188 56.400 0.058 0.000 1.438 50 E CB -0.542 29.173 29.700 0.024 0.000 1.420 50 E HN 0.281 nan 8.360 nan 0.000 0.755 51 L N 1.836 123.117 121.223 0.096 0.000 2.049 51 L HA 0.101 4.441 4.340 -0.001 0.000 0.203 51 L C 2.096 179.083 176.870 0.195 0.000 1.074 51 L CA 1.572 56.505 54.840 0.155 0.000 0.749 51 L CB -0.444 41.703 42.059 0.146 0.000 0.907 51 L HN 0.176 nan 8.230 nan 0.000 0.439 52 L N -0.278 121.029 121.223 0.140 0.000 1.989 52 L HA -0.164 4.175 4.340 -0.001 0.000 0.211 52 L C -0.004 176.914 176.870 0.080 0.000 1.071 52 L CA 1.460 56.360 54.840 0.100 0.000 0.749 52 L CB -2.147 39.963 42.059 0.085 0.000 0.890 52 L HN 0.222 nan 8.230 nan 0.000 0.431 53 P HA -0.252 nan 4.420 nan 0.000 0.215 53 P C 1.639 178.988 177.300 0.081 0.000 1.157 53 P CA 1.544 64.688 63.100 0.072 0.000 0.874 53 P CB -0.125 31.623 31.700 0.081 0.000 0.790 54 F N -0.185 119.767 119.950 0.004 0.000 2.202 54 F HA -0.145 4.382 4.527 -0.001 0.000 0.301 54 F C 1.746 177.542 175.800 -0.006 0.000 1.082 54 F CA 1.415 59.415 58.000 -0.001 0.000 1.313 54 F CB -0.729 38.270 39.000 -0.003 0.000 1.024 54 F HN -0.210 nan 8.300 nan 0.000 0.495 55 L N -1.002 120.138 121.223 -0.139 0.000 2.270 55 L HA -0.093 4.247 4.340 -0.001 0.000 0.210 55 L C 2.294 179.043 176.870 -0.201 0.000 1.104 55 L CA 0.978 55.674 54.840 -0.239 0.000 0.804 55 L CB -1.010 41.007 42.059 -0.071 0.000 0.937 55 L HN 0.072 nan 8.230 nan 0.000 0.450 56 T N 0.264 114.746 114.554 -0.121 0.000 2.555 56 T HA -0.157 4.193 4.350 -0.001 0.000 0.264 56 T C 0.688 175.318 174.700 -0.116 0.000 1.083 56 T CA 1.865 63.911 62.100 -0.090 0.000 1.179 56 T CB -0.362 68.478 68.868 -0.047 0.000 0.863 56 T HN 0.516 nan 8.240 nan 0.000 0.412 57 D N 0.309 120.636 120.400 -0.122 0.000 2.301 57 D HA 0.223 4.862 4.640 -0.001 0.000 0.287 57 D C 0.094 176.279 176.300 -0.191 0.000 1.179 57 D CA -0.120 53.810 54.000 -0.117 0.000 1.060 57 D CB -0.813 39.940 40.800 -0.079 0.000 1.135 57 D HN 0.095 nan 8.370 nan 0.000 0.531 58 T N -0.901 113.551 114.554 -0.171 0.000 3.549 58 T HA -0.168 4.181 4.350 -0.001 0.000 0.398 58 T C -0.218 174.371 174.700 -0.184 0.000 0.766 58 T CA 0.316 62.285 62.100 -0.217 0.000 2.007 58 T CB -1.645 66.927 68.868 -0.493 0.000 1.727 58 T HN 0.303 nan 8.240 nan 0.000 0.693 59 I N 2.101 122.620 120.570 -0.084 0.000 2.503 59 I HA 0.248 4.418 4.170 -0.001 0.000 0.277 59 I C -0.043 176.094 176.117 0.032 0.000 1.078 59 I CA -0.839 60.429 61.300 -0.052 0.000 1.184 59 I CB 0.666 38.626 38.000 -0.067 0.000 1.353 59 I HN 0.306 nan 8.210 nan 0.000 0.490 60 Y N 5.796 126.058 120.300 -0.063 0.000 2.425 60 Y HA 0.209 4.758 4.550 -0.001 0.000 0.347 60 Y C 0.612 176.494 175.900 -0.030 0.000 0.976 60 Y CA -1.285 56.793 58.100 -0.037 0.000 1.190 60 Y CB 0.404 38.847 38.460 -0.028 0.000 1.136 60 Y HN 0.432 nan 8.280 nan 0.000 0.517 61 D N 5.115 125.209 120.400 -0.509 0.000 2.746 61 D HA -0.145 4.495 4.640 -0.001 0.000 0.233 61 D C 0.661 176.552 176.300 -0.682 0.000 1.120 61 D CA 0.605 54.309 54.000 -0.493 0.000 1.421 61 D CB -0.124 40.497 40.800 -0.298 0.000 1.142 61 D HN 0.683 nan 8.370 nan 0.000 0.479 62 E N 1.041 120.907 120.200 -0.557 0.000 2.445 62 E HA -0.074 4.275 4.350 -0.001 0.000 0.189 62 E C 0.668 177.156 176.600 -0.186 0.000 1.069 62 E CA -0.067 56.120 56.400 -0.354 0.000 0.871 62 E CB 0.080 29.687 29.700 -0.155 0.000 0.991 62 E HN 0.116 nan 8.360 nan 0.000 0.481 63 D N 0.568 120.857 120.400 -0.185 0.000 4.494 63 D HA -0.409 4.230 4.640 -0.001 0.000 0.296 63 D C 1.250 177.506 176.300 -0.075 0.000 0.698 63 D CA 2.271 56.203 54.000 -0.113 0.000 1.701 63 D CB -0.945 39.798 40.800 -0.096 0.000 0.986 63 D HN 0.564 nan 8.370 nan 0.000 0.424 64 E N 0.648 120.813 120.200 -0.058 0.000 2.219 64 E HA -0.164 4.186 4.350 -0.001 0.000 0.198 64 E C 2.124 178.703 176.600 -0.035 0.000 0.998 64 E CA 1.492 57.870 56.400 -0.036 0.000 0.818 64 E CB 0.076 29.762 29.700 -0.023 0.000 0.741 64 E HN 0.304 nan 8.360 nan 0.000 0.477 65 V N 0.574 120.460 119.914 -0.046 0.000 2.379 65 V HA -0.185 3.935 4.120 -0.001 0.000 0.243 65 V C 2.324 178.386 176.094 -0.052 0.000 1.035 65 V CA 1.121 63.398 62.300 -0.039 0.000 1.035 65 V CB -0.316 31.487 31.823 -0.033 0.000 0.673 65 V HN 0.345 nan 8.190 nan 0.000 0.457 66 L N -0.606 120.574 121.223 -0.071 0.000 2.081 66 L HA -0.232 4.108 4.340 -0.001 0.000 0.212 66 L C 2.469 179.304 176.870 -0.058 0.000 1.080 66 L CA 1.292 56.088 54.840 -0.073 0.000 0.754 66 L CB -0.538 41.471 42.059 -0.083 0.000 0.893 66 L HN 0.344 nan 8.230 nan 0.000 0.433 67 L N 0.078 121.273 121.223 -0.048 0.000 1.994 67 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 67 L C 2.686 179.536 176.870 -0.033 0.000 1.071 67 L CA 2.151 56.970 54.840 -0.035 0.000 0.745 67 L CB -0.783 41.261 42.059 -0.026 0.000 0.892 67 L HN 0.157 nan 8.230 nan 0.000 0.431 68 A N -0.996 121.804 122.820 -0.032 0.000 1.933 68 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 68 A C 2.217 179.769 177.584 -0.053 0.000 1.175 68 A CA 1.856 53.874 52.037 -0.031 0.000 0.628 68 A CB -0.964 18.024 19.000 -0.021 0.000 0.814 68 A HN 0.479 nan 8.150 nan 0.000 0.444 69 L N -0.204 120.980 121.223 -0.066 0.000 2.017 69 L HA -0.053 4.286 4.340 -0.001 0.000 0.208 69 L C 2.622 179.426 176.870 -0.110 0.000 1.073 69 L CA 2.309 57.090 54.840 -0.100 0.000 0.745 69 L CB -0.888 41.114 42.059 -0.094 0.000 0.894 69 L HN 0.318 nan 8.230 nan 0.000 0.432 70 A N -0.836 121.939 122.820 -0.075 0.000 1.933 70 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 70 A C 2.294 179.851 177.584 -0.044 0.000 1.175 70 A CA 1.697 53.700 52.037 -0.058 0.000 0.628 70 A CB -0.686 18.292 19.000 -0.037 0.000 0.814 70 A HN 0.646 nan 8.150 nan 0.000 0.444 71 E N -0.786 119.393 120.200 -0.036 0.000 2.015 71 E HA -0.281 4.069 4.350 -0.001 0.000 0.191 71 E C 2.191 178.778 176.600 -0.022 0.000 0.991 71 E CA 1.526 57.918 56.400 -0.015 0.000 0.802 71 E CB -0.233 29.464 29.700 -0.005 0.000 0.759 71 E HN 0.505 nan 8.360 nan 0.000 0.447 72 Q N 0.601 120.368 119.800 -0.056 0.000 2.112 72 Q HA -0.152 4.188 4.340 -0.001 0.000 0.206 72 Q C 2.137 178.039 176.000 -0.164 0.000 0.987 72 Q CA 1.718 57.472 55.803 -0.082 0.000 0.858 72 Q CB -0.349 28.305 28.738 -0.139 0.000 0.905 72 Q HN 0.444 nan 8.270 nan 0.000 0.420 73 L N -1.026 120.053 121.223 -0.240 0.000 2.265 73 L HA -0.093 4.247 4.340 -0.001 0.000 0.215 73 L C 2.029 178.902 176.870 0.005 0.000 1.117 73 L CA 0.914 55.620 54.840 -0.223 0.000 0.782 73 L CB -0.574 41.384 42.059 -0.167 0.000 0.914 73 L HN 0.362 nan 8.230 nan 0.000 0.441 74 G N -1.051 107.767 108.800 0.030 0.000 2.744 74 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.211 74 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.211 74 G C 0.866 175.834 174.900 0.114 0.000 1.143 74 G CA 0.861 46.007 45.100 0.078 0.000 0.788 74 G HN 0.407 nan 8.290 nan 0.000 0.534 75 T N -4.040 110.607 114.554 0.154 0.000 3.585 75 T HA 0.530 4.880 4.350 -0.001 0.000 0.252 75 T C -0.327 174.569 174.700 0.326 0.000 1.382 75 T CA -0.707 61.500 62.100 0.178 0.000 1.584 75 T CB -0.012 68.941 68.868 0.141 0.000 0.892 75 T HN -0.075 nan 8.240 nan 0.000 0.671 76 F N 0.101 120.061 119.950 0.017 0.000 2.974 76 F HA 0.299 4.825 4.527 -0.000 0.000 0.357 76 F C 1.909 177.709 175.800 -0.001 0.000 1.114 76 F CA -0.522 57.482 58.000 0.007 0.000 1.099 76 F CB 0.597 39.603 39.000 0.009 0.000 1.205 76 F HN 0.288 nan 8.300 nan 0.000 0.535 77 T N -0.711 113.912 114.554 0.116 0.000 2.635 77 T HA -0.265 4.085 4.350 -0.001 0.000 0.267 77 T C 2.235 176.922 174.700 -0.021 0.000 1.040 77 T CA 2.564 64.691 62.100 0.045 0.000 1.156 77 T CB -0.435 68.458 68.868 0.042 0.000 0.863 77 T HN 0.344 nan 8.240 nan 0.000 0.430 78 T N 1.206 115.733 114.554 -0.044 0.000 2.821 78 T HA -0.055 4.295 4.350 -0.001 0.000 0.267 78 T C 1.645 176.256 174.700 -0.150 0.000 1.046 78 T CA 0.606 62.660 62.100 -0.077 0.000 1.139 78 T CB -0.353 68.477 68.868 -0.062 0.000 0.871 78 T HN 0.061 nan 8.240 nan 0.000 0.454 79 L N 1.106 122.169 121.223 -0.267 0.000 2.633 79 L HA 0.235 4.575 4.340 -0.001 0.000 0.235 79 L C 1.934 178.615 176.870 -0.315 0.000 1.163 79 L CA 0.747 55.348 54.840 -0.398 0.000 0.859 79 L CB -0.423 41.124 42.059 -0.853 0.000 0.973 79 L HN 0.254 nan 8.230 nan 0.000 0.451 80 V N -1.852 117.942 119.914 -0.200 0.000 3.556 80 V HA 0.454 4.573 4.120 -0.001 0.000 0.287 80 V C 1.409 177.381 176.094 -0.204 0.000 1.422 80 V CA 0.763 62.972 62.300 -0.151 0.000 1.038 80 V CB 0.779 32.576 31.823 -0.044 0.000 0.850 80 V HN 0.495 nan 8.190 nan 0.000 0.437 81 G N -0.983 107.730 108.800 -0.144 0.000 2.370 81 G HA2 0.282 4.241 3.960 -0.001 0.000 0.174 81 G HA3 0.282 4.241 3.960 -0.001 0.000 0.174 81 G C 0.646 175.587 174.900 0.068 0.000 1.002 81 G CA 0.035 45.074 45.100 -0.101 0.000 0.730 81 G HN 1.503 nan 8.290 nan 0.000 0.497 82 G N -0.207 108.605 108.800 0.020 0.000 2.725 82 G HA2 0.125 4.084 3.960 -0.001 0.000 0.220 82 G HA3 0.125 4.084 3.960 -0.001 0.000 0.220 82 G C -0.820 174.094 174.900 0.024 0.000 1.357 82 G CA 0.271 45.385 45.100 0.023 0.000 0.866 82 G HN 0.540 nan 8.290 nan 0.000 0.548 83 P HA -0.148 nan 4.420 nan 0.000 0.216 83 P C 1.576 178.821 177.300 -0.092 0.000 1.167 83 P CA 2.334 65.410 63.100 -0.041 0.000 0.933 83 P CB -0.191 31.496 31.700 -0.021 0.000 0.793 84 E N -2.648 117.499 120.200 -0.089 0.000 2.352 84 E HA -0.217 4.133 4.350 -0.001 0.000 0.203 84 E C 0.899 177.218 176.600 -0.469 0.000 1.024 84 E CA 1.223 57.482 56.400 -0.235 0.000 0.842 84 E CB -0.545 28.987 29.700 -0.280 0.000 0.753 84 E HN 0.528 nan 8.360 nan 0.000 0.508 85 Y N -1.689 118.447 120.300 -0.273 0.000 2.588 85 Y HA 0.106 4.655 4.550 -0.001 0.000 0.247 85 Y C 1.672 177.189 175.900 -0.638 0.000 1.157 85 Y CA -0.188 57.590 58.100 -0.538 0.000 1.215 85 Y CB 0.462 38.741 38.460 -0.301 0.000 1.245 85 Y HN -0.024 nan 8.280 nan 0.000 0.534 86 V N -1.059 118.647 119.914 -0.347 0.000 2.546 86 V HA -0.354 3.765 4.120 -0.001 0.000 0.254 86 V C 2.199 178.121 176.094 -0.287 0.000 1.076 86 V CA 2.525 64.661 62.300 -0.274 0.000 1.087 86 V CB -0.911 30.739 31.823 -0.289 0.000 0.674 86 V HN 0.618 nan 8.190 nan 0.000 0.470 87 H N -0.629 118.253 119.070 -0.313 0.000 2.543 87 H HA -0.062 4.493 4.556 -0.001 0.000 0.286 87 H C 2.050 177.351 175.328 -0.045 0.000 1.037 87 H CA 1.390 57.333 56.048 -0.176 0.000 1.250 87 H CB -1.164 28.320 29.762 -0.464 0.000 1.373 87 H HN 0.593 nan 8.280 nan 0.000 0.580 88 C N 1.026 120.227 119.300 -0.164 0.000 2.472 88 C HA 0.087 4.546 4.460 -0.001 0.000 0.278 88 C C 2.693 177.708 174.990 0.040 0.000 1.447 88 C CA 0.019 59.027 59.018 -0.016 0.000 1.773 88 C CB -1.118 26.604 27.740 -0.031 0.000 1.793 88 C HN 0.490 nan 8.230 nan 0.000 0.544 89 L N -0.187 121.068 121.223 0.054 0.000 2.446 89 L HA 0.061 4.400 4.340 -0.001 0.000 0.219 89 L C 2.284 179.205 176.870 0.085 0.000 1.116 89 L CA 0.487 55.376 54.840 0.080 0.000 0.844 89 L CB -0.353 41.770 42.059 0.107 0.000 0.970 89 L HN 0.359 nan 8.230 nan 0.000 0.457 90 L N 0.213 121.508 121.223 0.120 0.000 1.976 90 L HA -0.146 4.194 4.340 -0.001 0.000 0.209 90 L C -0.083 176.806 176.870 0.032 0.000 1.071 90 L CA 1.567 56.465 54.840 0.097 0.000 0.746 90 L CB -1.976 40.165 42.059 0.137 0.000 0.890 90 L HN 0.162 nan 8.230 nan 0.000 0.432 91 P HA -0.207 nan 4.420 nan 0.000 0.218 91 P C -1.396 175.891 177.300 -0.022 0.000 1.165 91 P CA 2.131 65.233 63.100 0.004 0.000 0.922 91 P CB -1.165 30.548 31.700 0.021 0.000 0.794 92 P HA -0.062 nan 4.420 nan 0.000 0.222 92 P C 1.625 178.896 177.300 -0.048 0.000 1.153 92 P CA 1.252 64.324 63.100 -0.045 0.000 0.798 92 P CB -0.280 31.388 31.700 -0.053 0.000 0.796 93 L N -0.086 121.119 121.223 -0.030 0.000 2.068 93 L HA -0.077 4.263 4.340 -0.001 0.000 0.204 93 L C 2.942 179.785 176.870 -0.046 0.000 1.076 93 L CA 1.349 56.172 54.840 -0.028 0.000 0.753 93 L CB -0.836 41.226 42.059 0.004 0.000 0.910 93 L HN -0.002 nan 8.230 nan 0.000 0.439 94 E N -0.194 119.972 120.200 -0.057 0.000 2.070 94 E HA -0.288 4.062 4.350 -0.001 0.000 0.197 94 E C 2.240 178.794 176.600 -0.078 0.000 1.004 94 E CA 1.715 58.064 56.400 -0.085 0.000 0.805 94 E CB -0.029 29.615 29.700 -0.094 0.000 0.744 94 E HN 0.332 nan 8.360 nan 0.000 0.451 95 S N 0.302 115.960 115.700 -0.070 0.000 2.414 95 S HA -0.224 4.245 4.470 -0.001 0.000 0.225 95 S C 2.022 176.587 174.600 -0.058 0.000 1.041 95 S CA 1.828 59.986 58.200 -0.070 0.000 1.114 95 S CB -0.652 62.507 63.200 -0.069 0.000 1.064 95 S HN 0.428 nan 8.310 nan 0.000 0.420 96 L N 1.262 122.452 121.223 -0.055 0.000 2.357 96 L HA -0.161 4.179 4.340 -0.001 0.000 0.220 96 L C 2.757 179.602 176.870 -0.041 0.000 1.123 96 L CA 0.974 55.785 54.840 -0.049 0.000 0.782 96 L CB -0.615 41.414 42.059 -0.051 0.000 0.910 96 L HN 0.530 nan 8.230 nan 0.000 0.442 97 A N -0.747 122.046 122.820 -0.044 0.000 1.929 97 A HA -0.132 4.187 4.320 -0.001 0.000 0.216 97 A C 2.167 179.727 177.584 -0.039 0.000 1.176 97 A CA 1.912 53.925 52.037 -0.040 0.000 0.628 97 A CB -0.555 18.414 19.000 -0.052 0.000 0.816 97 A HN 0.373 nan 8.150 nan 0.000 0.444 98 T N -0.055 114.476 114.554 -0.038 0.000 3.169 98 T HA 0.244 4.594 4.350 -0.001 0.000 0.250 98 T C 0.927 175.637 174.700 0.016 0.000 1.111 98 T CA 0.203 62.295 62.100 -0.013 0.000 1.010 98 T CB -0.374 68.489 68.868 -0.009 0.000 0.984 98 T HN 0.117 nan 8.240 nan 0.000 0.537 99 V N 1.408 121.315 119.914 -0.011 0.000 3.994 99 V HA 0.028 4.148 4.120 -0.001 0.000 0.269 99 V C 1.632 177.703 176.094 -0.038 0.000 0.932 99 V CA 0.479 62.772 62.300 -0.011 0.000 0.938 99 V CB 0.407 32.210 31.823 -0.032 0.000 1.214 99 V HN 0.317 nan 8.190 nan 0.000 0.423 100 E N -0.571 119.600 120.200 -0.048 0.000 2.357 100 E HA 0.092 4.442 4.350 -0.001 0.000 0.190 100 E C 0.578 177.150 176.600 -0.047 0.000 1.022 100 E CA -0.130 56.230 56.400 -0.066 0.000 1.068 100 E CB 0.020 29.679 29.700 -0.067 0.000 1.465 100 E HN 0.754 nan 8.360 nan 0.000 0.503 101 E N 2.321 122.497 120.200 -0.040 0.000 3.102 101 E HA -0.136 4.214 4.350 -0.001 0.000 0.235 101 E C 0.763 177.350 176.600 -0.021 0.000 0.995 101 E CA 0.556 56.940 56.400 -0.028 0.000 0.950 101 E CB 0.387 30.066 29.700 -0.035 0.000 0.905 101 E HN 0.270 nan 8.360 nan 0.000 0.553 102 T N 0.865 115.415 114.554 -0.007 0.000 2.778 102 T HA -0.236 4.113 4.350 -0.001 0.000 0.269 102 T C 1.728 176.430 174.700 0.003 0.000 1.050 102 T CA 1.220 63.322 62.100 0.003 0.000 1.137 102 T CB -0.360 68.522 68.868 0.024 0.000 0.860 102 T HN 0.333 nan 8.240 nan 0.000 0.468 103 V N 1.283 121.197 119.914 0.000 0.000 2.278 103 V HA -0.199 3.920 4.120 -0.001 0.000 0.251 103 V C 2.897 178.988 176.094 -0.005 0.000 1.062 103 V CA 1.861 64.161 62.300 0.000 0.000 1.038 103 V CB -0.878 30.942 31.823 -0.004 0.000 0.646 103 V HN 0.450 nan 8.190 nan 0.000 0.447 104 V N -0.028 119.876 119.914 -0.016 0.000 2.358 104 V HA -0.192 3.928 4.120 -0.001 0.000 0.246 104 V C 2.665 178.749 176.094 -0.017 0.000 1.047 104 V CA 1.809 64.095 62.300 -0.023 0.000 1.035 104 V CB -0.769 31.032 31.823 -0.037 0.000 0.658 104 V HN 0.494 nan 8.190 nan 0.000 0.452 105 R N 0.277 120.768 120.500 -0.015 0.000 2.105 105 R HA -0.175 4.165 4.340 -0.001 0.000 0.239 105 R C 1.902 178.204 176.300 0.003 0.000 1.135 105 R CA 1.777 57.870 56.100 -0.012 0.000 0.967 105 R CB -0.901 29.393 30.300 -0.012 0.000 0.861 105 R HN 0.543 nan 8.270 nan 0.000 0.442 106 D N 0.852 121.258 120.400 0.011 0.000 2.084 106 D HA -0.101 4.538 4.640 -0.001 0.000 0.196 106 D C 1.866 178.179 176.300 0.022 0.000 0.985 106 D CA 0.869 54.883 54.000 0.023 0.000 0.826 106 D CB -0.100 40.716 40.800 0.027 0.000 0.978 106 D HN -0.037 nan 8.370 nan 0.000 0.456 107 K N 0.982 121.390 120.400 0.013 0.000 2.113 107 K HA -0.088 4.232 4.320 -0.001 0.000 0.208 107 K C 1.971 178.578 176.600 0.011 0.000 1.047 107 K CA 0.950 57.244 56.287 0.012 0.000 0.928 107 K CB -0.515 31.985 32.500 0.000 0.000 0.716 107 K HN 0.091 nan 8.250 nan 0.000 0.446 108 A N 0.528 123.349 122.820 0.002 0.000 1.902 108 A HA -0.119 4.201 4.320 -0.001 0.000 0.217 108 A C 2.487 180.081 177.584 0.017 0.000 1.181 108 A CA 1.671 53.707 52.037 -0.001 0.000 0.623 108 A CB -0.524 18.466 19.000 -0.016 0.000 0.818 108 A HN 0.081 nan 8.150 nan 0.000 0.443 109 V N -0.052 119.876 119.914 0.023 0.000 2.379 109 V HA -0.230 3.889 4.120 -0.001 0.000 0.245 109 V C 2.502 178.634 176.094 0.063 0.000 1.044 109 V CA 2.117 64.442 62.300 0.041 0.000 1.036 109 V CB -0.679 31.171 31.823 0.045 0.000 0.664 109 V HN 0.771 nan 8.190 nan 0.000 0.453 110 E N 0.297 120.531 120.200 0.057 0.000 2.070 110 E HA -0.241 4.109 4.350 -0.001 0.000 0.197 110 E C 2.330 178.973 176.600 0.073 0.000 1.004 110 E CA 1.876 58.315 56.400 0.065 0.000 0.805 110 E CB -0.107 29.625 29.700 0.054 0.000 0.744 110 E HN 0.573 nan 8.360 nan 0.000 0.451 111 S N 0.571 116.309 115.700 0.062 0.000 2.368 111 S HA -0.108 4.361 4.470 -0.001 0.000 0.225 111 S C 1.982 176.640 174.600 0.097 0.000 1.030 111 S CA 0.826 59.068 58.200 0.071 0.000 0.999 111 S CB -0.226 63.003 63.200 0.048 0.000 0.844 111 S HN 0.267 nan 8.310 nan 0.000 0.459 112 L N 0.837 122.123 121.223 0.105 0.000 2.079 112 L HA -0.151 4.188 4.340 -0.001 0.000 0.210 112 L C 2.632 179.617 176.870 0.192 0.000 1.081 112 L CA 1.334 56.282 54.840 0.180 0.000 0.752 112 L CB -0.309 41.830 42.059 0.133 0.000 0.896 112 L HN 0.229 nan 8.230 nan 0.000 0.433 113 R N -0.749 119.822 120.500 0.118 0.000 2.115 113 R HA -0.083 4.256 4.340 -0.001 0.000 0.230 113 R C 2.379 178.663 176.300 -0.026 0.000 1.111 113 R CA 1.093 57.211 56.100 0.030 0.000 0.976 113 R CB -0.385 29.965 30.300 0.083 0.000 0.870 113 R HN 0.356 nan 8.270 nan 0.000 0.445 114 A N 1.828 124.696 122.820 0.081 0.000 1.855 114 A HA -0.121 4.199 4.320 -0.001 0.000 0.215 114 A C 2.136 179.795 177.584 0.124 0.000 1.191 114 A CA 1.438 53.565 52.037 0.150 0.000 0.613 114 A CB -0.625 18.450 19.000 0.124 0.000 0.829 114 A HN 0.459 nan 8.150 nan 0.000 0.442 115 I N -0.838 119.786 120.570 0.089 0.000 3.176 115 I HA -0.076 4.094 4.170 -0.001 0.000 0.275 115 I C 2.076 178.235 176.117 0.069 0.000 1.298 115 I CA 1.522 62.899 61.300 0.128 0.000 1.445 115 I CB -0.434 37.684 38.000 0.197 0.000 1.075 115 I HN 0.352 nan 8.210 nan 0.000 0.482 116 S N 1.549 117.066 115.700 -0.306 0.000 2.370 116 S HA -0.258 4.211 4.470 -0.001 0.000 0.226 116 S C 1.958 176.265 174.600 -0.490 0.000 1.033 116 S CA 1.387 59.082 58.200 -0.841 0.000 1.011 116 S CB -1.040 61.407 63.200 -1.255 0.000 0.852 116 S HN 0.634 nan 8.310 nan 0.000 0.457 117 H N 1.592 120.586 119.070 -0.126 0.000 2.521 117 H HA 0.117 4.672 4.556 -0.001 0.000 0.286 117 H C 1.947 177.276 175.328 0.001 0.000 1.034 117 H CA 1.357 57.371 56.048 -0.058 0.000 1.278 117 H CB -0.166 29.576 29.762 -0.034 0.000 1.386 117 H HN 0.619 nan 8.280 nan 0.000 0.567 118 E N 0.600 120.880 120.200 0.134 0.000 2.170 118 E HA -0.031 4.318 4.350 -0.001 0.000 0.191 118 E C 0.524 177.173 176.600 0.081 0.000 0.981 118 E CA 0.084 56.543 56.400 0.099 0.000 0.830 118 E CB 0.017 29.768 29.700 0.084 0.000 0.775 118 E HN 0.614 nan 8.360 nan 0.000 0.470 119 H N 1.611 120.652 119.070 -0.048 0.000 2.897 119 H HA 0.053 4.609 4.556 -0.001 0.000 0.347 119 H C 0.876 176.187 175.328 -0.028 0.000 1.068 119 H CA 0.222 56.252 56.048 -0.030 0.000 1.426 119 H CB 0.761 30.480 29.762 -0.071 0.000 1.410 119 H HN 0.052 nan 8.280 nan 0.000 0.597 120 S N 3.661 119.416 115.700 0.091 0.000 2.645 120 S HA 0.088 4.558 4.470 -0.001 0.000 0.266 120 S C -1.518 173.115 174.600 0.055 0.000 1.258 120 S CA -1.337 56.893 58.200 0.051 0.000 0.990 120 S CB 1.708 64.924 63.200 0.026 0.000 0.967 120 S HN 0.462 nan 8.310 nan 0.000 0.556 121 P HA -0.162 nan 4.420 nan 0.000 0.214 121 P C 1.731 179.047 177.300 0.026 0.000 1.163 121 P CA 1.746 64.855 63.100 0.015 0.000 0.889 121 P CB -0.338 31.363 31.700 0.002 0.000 0.790 122 S N -0.656 115.059 115.700 0.026 0.000 2.383 122 S HA -0.178 4.292 4.470 -0.001 0.000 0.229 122 S C 1.857 176.492 174.600 0.059 0.000 1.030 122 S CA 1.602 59.818 58.200 0.026 0.000 1.002 122 S CB -1.069 62.140 63.200 0.014 0.000 0.829 122 S HN 0.029 nan 8.310 nan 0.000 0.467 123 D N 0.582 121.042 120.400 0.100 0.000 2.277 123 D HA 0.055 4.695 4.640 -0.001 0.000 0.208 123 D C 1.916 178.395 176.300 0.298 0.000 0.962 123 D CA 0.375 54.495 54.000 0.200 0.000 0.865 123 D CB -0.107 40.791 40.800 0.164 0.000 0.939 123 D HN 0.393 nan 8.370 nan 0.000 0.510 124 L N 0.815 122.152 121.223 0.191 0.000 2.017 124 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 124 L C 2.335 179.281 176.870 0.127 0.000 1.073 124 L CA 1.218 56.139 54.840 0.135 0.000 0.745 124 L CB -0.173 41.886 42.059 0.000 0.000 0.894 124 L HN 0.011 nan 8.230 nan 0.000 0.432 125 E N -0.138 120.099 120.200 0.062 0.000 2.028 125 E HA -0.211 4.139 4.350 -0.001 0.000 0.191 125 E C 2.220 178.804 176.600 -0.026 0.000 0.988 125 E CA 1.165 57.572 56.400 0.011 0.000 0.799 125 E CB -0.197 29.499 29.700 -0.007 0.000 0.755 125 E HN 0.489 nan 8.360 nan 0.000 0.447 126 A N 0.710 123.507 122.820 -0.040 0.000 1.972 126 A HA -0.186 4.134 4.320 -0.001 0.000 0.219 126 A C 1.280 178.605 177.584 -0.432 0.000 1.169 126 A CA 1.829 53.728 52.037 -0.230 0.000 0.635 126 A CB -0.381 18.465 19.000 -0.258 0.000 0.810 126 A HN 0.271 nan 8.150 nan 0.000 0.446 127 H N -4.735 114.345 119.070 0.017 0.000 2.573 127 H HA 0.277 4.832 4.556 -0.001 0.000 0.236 127 H C 1.413 176.772 175.328 0.051 0.000 0.907 127 H CA 0.246 56.317 56.048 0.038 0.000 1.058 127 H CB -0.166 29.648 29.762 0.087 0.000 1.417 127 H HN 0.342 nan 8.280 nan 0.000 0.425 128 F N 1.546 121.529 119.950 0.053 0.000 2.039 128 F HA -0.161 4.365 4.527 -0.000 0.000 0.294 128 F C 2.091 177.793 175.800 -0.163 0.000 1.130 128 F CA 1.274 59.198 58.000 -0.126 0.000 1.189 128 F CB -0.499 38.316 39.000 -0.309 0.000 0.983 128 F HN -0.108 nan 8.300 nan 0.000 0.471 129 V N 1.207 121.123 119.914 0.003 0.000 2.250 129 V HA -0.304 3.815 4.120 -0.001 0.000 0.250 129 V C -0.405 175.529 176.094 -0.268 0.000 1.060 129 V CA 2.591 64.798 62.300 -0.154 0.000 1.030 129 V CB -2.088 29.681 31.823 -0.089 0.000 0.643 129 V HN 0.226 nan 8.190 nan 0.000 0.445 130 P HA -0.177 nan 4.420 nan 0.000 0.217 130 P C 1.833 178.998 177.300 -0.226 0.000 1.148 130 P CA 1.278 64.264 63.100 -0.189 0.000 0.834 130 P CB -0.090 31.527 31.700 -0.139 0.000 0.783 131 L N -1.115 119.940 121.223 -0.280 0.000 2.156 131 L HA -0.061 4.279 4.340 -0.001 0.000 0.208 131 L C 1.965 178.595 176.870 -0.400 0.000 1.095 131 L CA 1.683 56.327 54.840 -0.327 0.000 0.770 131 L CB -1.111 40.703 42.059 -0.408 0.000 0.914 131 L HN -0.188 nan 8.230 nan 0.000 0.439 132 V N 0.020 119.626 119.914 -0.513 0.000 2.295 132 V HA -0.276 3.843 4.120 -0.001 0.000 0.246 132 V C 2.582 178.424 176.094 -0.419 0.000 1.049 132 V CA 2.094 64.061 62.300 -0.554 0.000 1.024 132 V CB -0.744 30.636 31.823 -0.737 0.000 0.648 132 V HN 0.443 nan 8.190 nan 0.000 0.447 133 K N 0.072 120.212 120.400 -0.434 0.000 1.973 133 K HA -0.159 4.160 4.320 -0.001 0.000 0.212 133 K C 2.346 178.874 176.600 -0.119 0.000 1.047 133 K CA 1.611 57.680 56.287 -0.363 0.000 0.937 133 K CB -0.359 31.865 32.500 -0.461 0.000 0.721 133 K HN 0.325 nan 8.250 nan 0.000 0.440 134 R N 0.799 121.219 120.500 -0.133 0.000 2.154 134 R HA -0.182 4.157 4.340 -0.001 0.000 0.248 134 R C 2.333 178.586 176.300 -0.078 0.000 1.155 134 R CA 1.346 57.393 56.100 -0.088 0.000 0.979 134 R CB -0.518 29.714 30.300 -0.113 0.000 0.869 134 R HN 0.213 nan 8.270 nan 0.000 0.452 135 L N -0.438 120.720 121.223 -0.109 0.000 2.068 135 L HA -0.050 4.290 4.340 -0.001 0.000 0.204 135 L C 2.658 179.530 176.870 0.003 0.000 1.076 135 L CA 0.979 55.774 54.840 -0.074 0.000 0.753 135 L CB -0.468 41.520 42.059 -0.118 0.000 0.910 135 L HN 0.181 nan 8.230 nan 0.000 0.439 136 A N 0.290 123.129 122.820 0.031 0.000 1.828 136 A HA -0.143 4.177 4.320 -0.001 0.000 0.215 136 A C 2.098 179.775 177.584 0.155 0.000 1.203 136 A CA 1.711 53.842 52.037 0.157 0.000 0.614 136 A CB -1.482 17.712 19.000 0.324 0.000 0.844 136 A HN 0.407 nan 8.150 nan 0.000 0.445 137 G N -0.095 108.817 108.800 0.186 0.000 3.186 137 G HA2 0.386 4.345 3.960 -0.001 0.000 0.214 137 G HA3 0.386 4.345 3.960 -0.001 0.000 0.214 137 G C 0.682 175.627 174.900 0.075 0.000 1.222 137 G CA 0.477 45.665 45.100 0.146 0.000 0.921 137 G HN 0.755 nan 8.290 nan 0.000 0.504 138 G N -0.639 108.194 108.800 0.055 0.000 2.634 138 G HA2 0.284 4.243 3.960 -0.001 0.000 0.255 138 G HA3 0.284 4.243 3.960 -0.001 0.000 0.255 138 G C 0.309 175.246 174.900 0.061 0.000 1.205 138 G CA -0.301 44.812 45.100 0.021 0.000 0.884 138 G HN 0.111 nan 8.290 nan 0.000 0.549 139 D N -0.517 119.915 120.400 0.053 0.000 2.191 139 D HA -0.021 4.619 4.640 -0.001 0.000 0.221 139 D C 0.686 177.161 176.300 0.292 0.000 1.006 139 D CA 0.442 54.528 54.000 0.143 0.000 0.910 139 D CB -0.188 40.693 40.800 0.135 0.000 1.031 139 D HN 0.327 nan 8.370 nan 0.000 0.447 140 W N 1.425 122.731 121.300 0.009 0.000 2.555 140 W HA -0.142 4.517 4.660 -0.000 0.000 0.342 140 W C 1.559 178.100 176.519 0.035 0.000 1.194 140 W CA -0.434 56.911 57.345 0.001 0.000 1.390 140 W CB -0.518 28.897 29.460 -0.075 0.000 1.203 140 W HN 0.092 nan 8.180 nan 0.000 0.596 141 F N 0.149 120.201 119.950 0.171 0.000 2.219 141 F HA -0.076 4.451 4.527 -0.001 0.000 0.294 141 F C 2.077 177.928 175.800 0.084 0.000 1.086 141 F CA 1.574 59.627 58.000 0.087 0.000 1.330 141 F CB -1.460 37.555 39.000 0.024 0.000 1.047 141 F HN 0.239 nan 8.300 nan 0.000 0.495 142 T N -1.920 112.144 114.554 -0.817 0.000 2.699 142 T HA -0.279 4.070 4.350 -0.001 0.000 0.268 142 T C 2.170 176.805 174.700 -0.109 0.000 1.036 142 T CA 1.704 63.482 62.100 -0.535 0.000 1.147 142 T CB -1.394 67.168 68.868 -0.510 0.000 0.862 142 T HN 0.395 nan 8.240 nan 0.000 0.446 143 S N 0.412 116.095 115.700 -0.029 0.000 2.488 143 S HA -0.067 4.402 4.470 -0.001 0.000 0.246 143 S C 2.077 176.698 174.600 0.034 0.000 0.992 143 S CA 1.050 59.254 58.200 0.007 0.000 0.963 143 S CB -0.351 62.859 63.200 0.017 0.000 0.754 143 S HN 0.594 nan 8.310 nan 0.000 0.519 144 R N -1.176 119.374 120.500 0.083 0.000 2.225 144 R HA 0.188 4.527 4.340 -0.001 0.000 0.194 144 R C 2.323 178.693 176.300 0.116 0.000 0.949 144 R CA 0.884 57.049 56.100 0.109 0.000 1.088 144 R CB -0.542 29.839 30.300 0.135 0.000 1.106 144 R HN 0.264 nan 8.270 nan 0.000 0.566 145 T N -0.506 114.142 114.554 0.157 0.000 3.025 145 T HA -0.010 4.340 4.350 -0.001 0.000 0.270 145 T C 1.209 175.971 174.700 0.103 0.000 1.126 145 T CA 1.356 63.547 62.100 0.153 0.000 1.105 145 T CB -0.026 68.982 68.868 0.233 0.000 0.884 145 T HN 0.100 nan 8.240 nan 0.000 0.522 146 S N -0.375 115.369 115.700 0.073 0.000 2.505 146 S HA 0.420 4.890 4.470 -0.001 0.000 0.216 146 S C 2.252 176.885 174.600 0.055 0.000 1.018 146 S CA 0.316 58.547 58.200 0.053 0.000 0.911 146 S CB 0.157 63.365 63.200 0.013 0.000 0.818 146 S HN 0.550 nan 8.310 nan 0.000 0.497 147 A N 0.819 123.679 122.820 0.066 0.000 1.898 147 A HA -0.124 4.195 4.320 -0.001 0.000 0.216 147 A C 2.210 179.940 177.584 0.243 0.000 1.181 147 A CA 1.391 53.469 52.037 0.069 0.000 0.620 147 A CB -1.288 17.772 19.000 0.100 0.000 0.819 147 A HN 0.597 nan 8.150 nan 0.000 0.442 148 C N -0.769 118.696 119.300 0.274 0.000 2.398 148 C HA -0.086 4.374 4.460 -0.001 0.000 0.279 148 C C 2.602 177.824 174.990 0.386 0.000 1.250 148 C CA 0.750 59.975 59.018 0.345 0.000 1.786 148 C CB -1.638 26.188 27.740 0.143 0.000 2.018 148 C HN 0.707 nan 8.230 nan 0.000 0.494 149 G N -0.641 108.301 108.800 0.236 0.000 3.124 149 G HA2 0.245 4.205 3.960 -0.001 0.000 0.212 149 G HA3 0.245 4.205 3.960 -0.001 0.000 0.212 149 G C 0.932 175.937 174.900 0.174 0.000 1.181 149 G CA 0.130 45.345 45.100 0.191 0.000 0.803 149 G HN 0.599 nan 8.290 nan 0.000 0.529 150 L N -1.381 119.947 121.223 0.175 0.000 3.069 150 L HA 0.405 4.745 4.340 -0.001 0.000 0.271 150 L C 1.275 178.175 176.870 0.051 0.000 1.201 150 L CA -0.282 54.613 54.840 0.091 0.000 1.015 150 L CB 0.197 42.221 42.059 -0.058 0.000 1.371 150 L HN 0.022 nan 8.230 nan 0.000 0.574 151 F N 0.494 120.455 119.950 0.017 0.000 2.270 151 F HA -0.089 4.437 4.527 -0.001 0.000 0.295 151 F C 2.784 178.632 175.800 0.080 0.000 1.087 151 F CA 1.323 59.280 58.000 -0.071 0.000 1.365 151 F CB -0.112 38.565 39.000 -0.539 0.000 1.056 151 F HN 0.118 nan 8.300 nan 0.000 0.506 152 S N 0.082 115.960 115.700 0.298 0.000 2.481 152 S HA -0.099 4.371 4.470 -0.001 0.000 0.231 152 S C 1.972 176.710 174.600 0.231 0.000 0.996 152 S CA 0.973 59.368 58.200 0.325 0.000 0.942 152 S CB -1.177 62.171 63.200 0.247 0.000 0.768 152 S HN 0.260 nan 8.310 nan 0.000 0.520 153 V N 0.622 120.622 119.914 0.144 0.000 2.488 153 V HA -0.032 4.087 4.120 -0.001 0.000 0.246 153 V C 2.568 178.632 176.094 -0.051 0.000 1.046 153 V CA 0.858 63.164 62.300 0.010 0.000 1.053 153 V CB -1.644 30.068 31.823 -0.186 0.000 0.679 153 V HN 0.806 nan 8.190 nan 0.000 0.458 154 C N -2.099 117.207 119.300 0.011 0.000 2.634 154 C HA 0.245 4.705 4.460 -0.001 0.000 0.268 154 C C 2.495 177.550 174.990 0.108 0.000 1.322 154 C CA 0.157 59.170 59.018 -0.008 0.000 1.737 154 C CB -1.748 26.025 27.740 0.055 0.000 1.976 154 C HN 0.579 nan 8.230 nan 0.000 0.547 155 Y N 3.820 124.201 120.300 0.135 0.000 2.097 155 Y HA -0.007 4.542 4.550 -0.001 0.000 0.282 155 Y C -0.424 175.540 175.900 0.107 0.000 1.152 155 Y CA 2.146 60.357 58.100 0.185 0.000 1.136 155 Y CB -1.455 37.212 38.460 0.346 0.000 0.975 155 Y HN 0.206 nan 8.280 nan 0.000 0.498 156 P HA -0.144 nan 4.420 nan 0.000 0.216 156 P C 1.182 178.458 177.300 -0.040 0.000 1.150 156 P CA 2.082 65.216 63.100 0.057 0.000 0.837 156 P CB 0.001 31.770 31.700 0.116 0.000 0.786 157 R N -0.577 119.905 120.500 -0.030 0.000 2.210 157 R HA 0.046 4.386 4.340 -0.001 0.000 0.203 157 R C 0.954 177.217 176.300 -0.061 0.000 1.010 157 R CA 0.163 56.240 56.100 -0.039 0.000 1.008 157 R CB -0.542 29.745 30.300 -0.023 0.000 0.923 157 R HN 0.153 nan 8.270 nan 0.000 0.469 158 V N -0.950 118.910 119.914 -0.090 0.000 3.641 158 V HA 0.224 4.343 4.120 -0.001 0.000 0.286 158 V C 0.503 176.535 176.094 -0.103 0.000 1.027 158 V CA -0.905 61.346 62.300 -0.082 0.000 1.032 158 V CB 1.111 32.893 31.823 -0.068 0.000 1.238 158 V HN 0.232 nan 8.190 nan 0.000 0.439 159 S N 0.327 115.984 115.700 -0.071 0.000 2.585 159 S HA 0.151 4.621 4.470 -0.001 0.000 0.273 159 S C 1.261 175.815 174.600 -0.077 0.000 1.339 159 S CA 0.059 58.223 58.200 -0.060 0.000 1.028 159 S CB 0.816 63.998 63.200 -0.030 0.000 0.906 159 S HN 1.326 nan 8.310 nan 0.000 0.528 160 S N 2.474 118.140 115.700 -0.057 0.000 2.387 160 S HA -0.203 4.267 4.470 -0.001 0.000 0.230 160 S C 2.057 176.653 174.600 -0.007 0.000 1.035 160 S CA 1.059 59.234 58.200 -0.042 0.000 1.014 160 S CB -1.308 61.884 63.200 -0.013 0.000 0.836 160 S HN 1.081 nan 8.310 nan 0.000 0.466 161 A N 1.395 124.217 122.820 0.004 0.000 1.902 161 A HA 0.045 4.364 4.320 -0.001 0.000 0.217 161 A C 2.395 180.008 177.584 0.048 0.000 1.181 161 A CA 1.623 53.678 52.037 0.030 0.000 0.623 161 A CB -0.931 18.083 19.000 0.022 0.000 0.818 161 A HN 0.416 nan 8.150 nan 0.000 0.443 162 V N 0.259 120.188 119.914 0.024 0.000 2.667 162 V HA -0.196 3.924 4.120 -0.001 0.000 0.252 162 V C 2.299 178.445 176.094 0.086 0.000 1.065 162 V CA 1.876 64.204 62.300 0.046 0.000 1.083 162 V CB -0.637 31.191 31.823 0.008 0.000 0.692 162 V HN 0.503 nan 8.190 nan 0.000 0.468 163 K N 0.790 121.195 120.400 0.009 0.000 2.032 163 K HA -0.193 4.126 4.320 -0.001 0.000 0.209 163 K C 2.384 179.201 176.600 0.363 0.000 1.048 163 K CA 1.596 57.904 56.287 0.034 0.000 0.927 163 K CB -0.505 31.802 32.500 -0.321 0.000 0.712 163 K HN 0.467 nan 8.250 nan 0.000 0.441 164 A N 2.188 125.148 122.820 0.234 0.000 1.873 164 A HA -0.269 4.050 4.320 -0.001 0.000 0.218 164 A C 2.026 179.783 177.584 0.288 0.000 1.193 164 A CA 1.961 54.141 52.037 0.238 0.000 0.629 164 A CB -0.618 18.473 19.000 0.152 0.000 0.826 164 A HN 0.387 nan 8.150 nan 0.000 0.447 165 E N -0.265 120.102 120.200 0.278 0.000 2.085 165 E HA -0.196 4.154 4.350 -0.001 0.000 0.194 165 E C 1.970 178.894 176.600 0.540 0.000 0.994 165 E CA 1.303 57.931 56.400 0.380 0.000 0.801 165 E CB -0.401 29.489 29.700 0.317 0.000 0.743 165 E HN 0.634 nan 8.360 nan 0.000 0.453 166 L N 0.695 122.200 121.223 0.471 0.000 2.131 166 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 166 L C 2.612 179.870 176.870 0.647 0.000 1.092 166 L CA 1.140 56.354 54.840 0.623 0.000 0.759 166 L CB -0.288 42.165 42.059 0.657 0.000 0.903 166 L HN 0.073 nan 8.230 nan 0.000 0.435 167 R N -0.674 120.163 120.500 0.562 0.000 2.066 167 R HA -0.184 4.155 4.340 -0.001 0.000 0.232 167 R C 2.279 178.780 176.300 0.335 0.000 1.131 167 R CA 1.329 57.703 56.100 0.456 0.000 0.955 167 R CB -0.340 30.159 30.300 0.332 0.000 0.851 167 R HN 0.239 nan 8.270 nan 0.000 0.432 168 Q N 0.348 120.324 119.800 0.293 0.000 2.030 168 Q HA -0.193 4.147 4.340 -0.001 0.000 0.204 168 Q C 1.721 177.795 176.000 0.123 0.000 0.986 168 Q CA 1.876 57.773 55.803 0.157 0.000 0.843 168 Q CB -0.417 28.368 28.738 0.078 0.000 0.904 168 Q HN 0.349 nan 8.270 nan 0.000 0.420 169 Y N -0.971 119.429 120.300 0.168 0.000 2.165 169 Y HA -0.195 4.355 4.550 -0.001 0.000 0.286 169 Y C 1.992 177.867 175.900 -0.040 0.000 1.155 169 Y CA 1.438 59.633 58.100 0.158 0.000 1.164 169 Y CB -0.551 38.130 38.460 0.369 0.000 0.978 169 Y HN 0.231 nan 8.280 nan 0.000 0.513 170 F N 0.488 120.301 119.950 -0.228 0.000 2.171 170 F HA -0.169 4.358 4.527 -0.000 0.000 0.300 170 F C 2.628 178.289 175.800 -0.232 0.000 1.090 170 F CA 1.456 59.047 58.000 -0.683 0.000 1.293 170 F CB -0.293 38.078 39.000 -1.050 0.000 1.013 170 F HN -0.147 nan 8.300 nan 0.000 0.486 171 R N 0.401 120.918 120.500 0.028 0.000 2.082 171 R HA -0.204 4.136 4.340 -0.001 0.000 0.234 171 R C 2.030 178.272 176.300 -0.096 0.000 1.136 171 R CA 1.944 58.052 56.100 0.013 0.000 0.935 171 R CB -0.528 29.810 30.300 0.062 0.000 0.842 171 R HN 0.259 nan 8.270 nan 0.000 0.430 172 N N 0.871 119.519 118.700 -0.087 0.000 2.192 172 N HA -0.198 4.541 4.740 -0.001 0.000 0.188 172 N C 1.788 177.222 175.510 -0.128 0.000 1.013 172 N CA 1.137 54.129 53.050 -0.097 0.000 0.863 172 N CB -0.263 38.160 38.487 -0.106 0.000 0.990 172 N HN 0.315 nan 8.380 nan 0.000 0.430 173 L N -0.199 120.893 121.223 -0.218 0.000 2.217 173 L HA -0.084 4.256 4.340 -0.001 0.000 0.211 173 L C 2.011 178.704 176.870 -0.295 0.000 1.107 173 L CA 0.495 55.171 54.840 -0.274 0.000 0.783 173 L CB -0.110 41.682 42.059 -0.443 0.000 0.919 173 L HN 0.222 nan 8.230 nan 0.000 0.442 174 C N -0.883 118.230 119.300 -0.312 0.000 2.475 174 C HA -0.058 4.402 4.460 -0.001 0.000 0.279 174 C C 2.342 177.265 174.990 -0.111 0.000 1.322 174 C CA 0.839 59.737 59.018 -0.199 0.000 1.734 174 C CB -0.643 27.027 27.740 -0.117 0.000 2.005 174 C HN 0.597 nan 8.230 nan 0.000 0.495 175 S N -0.077 115.567 115.700 -0.094 0.000 2.582 175 S HA 0.111 4.580 4.470 -0.001 0.000 0.249 175 S C -0.321 174.242 174.600 -0.063 0.000 1.072 175 S CA -0.220 57.941 58.200 -0.065 0.000 1.115 175 S CB -0.545 62.625 63.200 -0.050 0.000 0.790 175 S HN 0.611 nan 8.310 nan 0.000 0.459 176 D N 1.348 121.705 120.400 -0.072 0.000 2.341 176 D HA 0.052 4.691 4.640 -0.001 0.000 0.245 176 D C 0.101 176.372 176.300 -0.049 0.000 1.106 176 D CA -0.145 53.822 54.000 -0.055 0.000 0.905 176 D CB 0.984 41.751 40.800 -0.055 0.000 1.202 176 D HN 0.154 nan 8.370 nan 0.000 0.426 177 D N 1.590 121.968 120.400 -0.037 0.000 2.218 177 D HA -0.075 4.564 4.640 -0.001 0.000 0.204 177 D C 0.361 176.630 176.300 -0.053 0.000 0.976 177 D CA 0.931 54.907 54.000 -0.039 0.000 0.853 177 D CB 0.132 40.916 40.800 -0.026 0.000 0.939 177 D HN 0.350 nan 8.370 nan 0.000 0.481 178 T N 1.604 116.123 114.554 -0.058 0.000 2.856 178 T HA 0.166 4.516 4.350 -0.001 0.000 0.292 178 T C -1.719 172.917 174.700 -0.106 0.000 0.980 178 T CA -1.436 60.605 62.100 -0.098 0.000 1.091 178 T CB 2.059 70.854 68.868 -0.122 0.000 0.936 178 T HN -0.167 nan 8.240 nan 0.000 0.503 179 P HA -0.012 nan 4.420 nan 0.000 0.215 179 P C 1.817 179.053 177.300 -0.106 0.000 1.157 179 P CA 0.782 63.820 63.100 -0.104 0.000 0.863 179 P CB 0.061 31.699 31.700 -0.102 0.000 0.787 180 M N -0.780 118.726 119.600 -0.157 0.000 2.106 180 M HA -0.160 4.319 4.480 -0.001 0.000 0.259 180 M C 1.501 177.767 176.300 -0.055 0.000 1.068 180 M CA 1.730 56.952 55.300 -0.130 0.000 1.100 180 M CB -0.482 31.965 32.600 -0.255 0.000 1.351 180 M HN -0.225 nan 8.290 nan 0.000 0.404 181 V N -0.241 119.641 119.914 -0.054 0.000 3.078 181 V HA -0.196 3.924 4.120 -0.001 0.000 0.265 181 V C 2.086 178.147 176.094 -0.055 0.000 1.122 181 V CA 1.382 63.677 62.300 -0.009 0.000 1.141 181 V CB -0.924 30.904 31.823 0.008 0.000 0.735 181 V HN 0.446 nan 8.190 nan 0.000 0.498 182 R N -0.318 120.144 120.500 -0.063 0.000 2.128 182 R HA 0.116 4.456 4.340 -0.001 0.000 0.211 182 R C 2.524 178.800 176.300 -0.041 0.000 1.067 182 R CA 0.415 56.475 56.100 -0.068 0.000 1.010 182 R CB -0.143 30.119 30.300 -0.064 0.000 0.922 182 R HN 0.403 nan 8.270 nan 0.000 0.457 183 R N 0.571 121.053 120.500 -0.030 0.000 2.096 183 R HA -0.041 4.299 4.340 -0.001 0.000 0.235 183 R C 2.248 178.559 176.300 0.019 0.000 1.127 183 R CA 1.435 57.531 56.100 -0.007 0.000 0.968 183 R CB -0.237 30.055 30.300 -0.014 0.000 0.861 183 R HN 0.151 nan 8.270 nan 0.000 0.440 184 A N 1.120 123.951 122.820 0.018 0.000 1.873 184 A HA -0.073 4.246 4.320 -0.001 0.000 0.215 184 A C 2.354 179.966 177.584 0.046 0.000 1.186 184 A CA 1.559 53.623 52.037 0.046 0.000 0.616 184 A CB -0.600 18.435 19.000 0.059 0.000 0.823 184 A HN 0.383 nan 8.150 nan 0.000 0.442 185 A N -0.090 122.709 122.820 -0.035 0.000 1.933 185 A HA 0.145 4.465 4.320 -0.001 0.000 0.218 185 A C 2.483 180.133 177.584 0.111 0.000 1.175 185 A CA 2.108 54.074 52.037 -0.118 0.000 0.628 185 A CB -0.974 17.782 19.000 -0.406 0.000 0.814 185 A HN 1.020 nan 8.150 nan 0.000 0.444 186 A N 0.443 123.310 122.820 0.079 0.000 1.858 186 A HA -0.117 4.203 4.320 -0.001 0.000 0.216 186 A C 2.461 180.137 177.584 0.153 0.000 1.190 186 A CA 2.381 54.496 52.037 0.130 0.000 0.617 186 A CB -1.112 17.936 19.000 0.081 0.000 0.827 186 A HN 1.117 nan 8.150 nan 0.000 0.443 187 S N -1.465 114.308 115.700 0.121 0.000 2.547 187 S HA -0.011 4.459 4.470 -0.001 0.000 0.235 187 S C 1.259 175.943 174.600 0.141 0.000 0.980 187 S CA 1.205 59.473 58.200 0.115 0.000 0.941 187 S CB -0.009 63.245 63.200 0.089 0.000 0.763 187 S HN 0.385 nan 8.310 nan 0.000 0.532 188 K N 0.147 120.670 120.400 0.206 0.000 2.402 188 K HA 0.384 4.703 4.320 -0.001 0.000 0.204 188 K C 1.264 178.002 176.600 0.229 0.000 1.056 188 K CA -0.121 56.302 56.287 0.226 0.000 1.069 188 K CB -0.122 32.549 32.500 0.285 0.000 0.888 188 K HN 0.338 nan 8.250 nan 0.000 0.546 189 L N 1.089 122.484 121.223 0.288 0.000 2.083 189 L HA -0.040 4.300 4.340 -0.001 0.000 0.209 189 L C 1.820 178.714 176.870 0.041 0.000 1.083 189 L CA 2.094 57.057 54.840 0.204 0.000 0.752 189 L CB -0.866 41.368 42.059 0.291 0.000 0.899 189 L HN 0.216 nan 8.230 nan 0.000 0.433 190 G N -0.296 108.533 108.800 0.048 0.000 2.480 190 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.216 190 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.216 190 G C 1.335 176.222 174.900 -0.022 0.000 1.200 190 G CA 0.867 45.962 45.100 -0.010 0.000 0.782 190 G HN 0.679 nan 8.290 nan 0.000 0.554 191 E N -0.728 119.485 120.200 0.022 0.000 2.110 191 E HA -0.131 4.219 4.350 -0.001 0.000 0.193 191 E C 2.202 178.819 176.600 0.029 0.000 0.988 191 E CA 0.935 57.353 56.400 0.030 0.000 0.804 191 E CB -0.513 29.229 29.700 0.069 0.000 0.745 191 E HN 0.328 nan 8.360 nan 0.000 0.458 192 F N 2.202 122.025 119.950 -0.211 0.000 2.171 192 F HA 0.007 4.533 4.527 -0.000 0.000 0.300 192 F C 2.287 177.889 175.800 -0.330 0.000 1.090 192 F CA 0.948 58.737 58.000 -0.352 0.000 1.293 192 F CB -0.673 37.857 39.000 -0.783 0.000 1.013 192 F HN 0.127 nan 8.300 nan 0.000 0.486 193 A N 0.485 123.105 122.820 -0.332 0.000 1.877 193 A HA -0.259 4.061 4.320 -0.001 0.000 0.216 193 A C 2.142 179.553 177.584 -0.289 0.000 1.186 193 A CA 1.999 53.813 52.037 -0.372 0.000 0.620 193 A CB -0.853 18.012 19.000 -0.225 0.000 0.822 193 A HN 0.343 nan 8.150 nan 0.000 0.443 194 K N 0.626 120.921 120.400 -0.175 0.000 2.360 194 K HA -0.088 4.231 4.320 -0.001 0.000 0.201 194 K C 1.159 177.695 176.600 -0.106 0.000 1.046 194 K CA 1.834 58.051 56.287 -0.115 0.000 0.940 194 K CB -0.667 31.797 32.500 -0.060 0.000 0.748 194 K HN 0.604 nan 8.250 nan 0.000 0.465 195 V N -1.601 118.222 119.914 -0.152 0.000 3.542 195 V HA 0.370 4.490 4.120 -0.001 0.000 0.296 195 V C 0.396 176.418 176.094 -0.119 0.000 1.364 195 V CA -0.503 61.756 62.300 -0.068 0.000 1.118 195 V CB -0.602 31.264 31.823 0.071 0.000 0.972 195 V HN 0.031 nan 8.190 nan 0.000 0.430 196 L N 1.668 122.695 121.223 -0.326 0.000 2.375 196 L HA 0.547 4.887 4.340 -0.001 0.000 0.268 196 L C 0.587 177.397 176.870 -0.100 0.000 1.058 196 L CA -0.797 53.865 54.840 -0.297 0.000 0.803 196 L CB 1.124 42.844 42.059 -0.564 0.000 1.212 196 L HN 0.278 nan 8.230 nan 0.000 0.451 197 E N 1.720 121.919 120.200 -0.001 0.000 2.408 197 E HA 0.004 4.354 4.350 -0.001 0.000 0.259 197 E C 0.853 177.426 176.600 -0.045 0.000 1.110 197 E CA -0.350 56.048 56.400 -0.003 0.000 0.929 197 E CB 1.197 30.916 29.700 0.030 0.000 0.971 197 E HN 0.588 nan 8.360 nan 0.000 0.438 198 L N 0.923 122.123 121.223 -0.039 0.000 2.013 198 L HA -0.282 4.057 4.340 -0.001 0.000 0.212 198 L C 1.527 178.372 176.870 -0.042 0.000 1.073 198 L CA 2.273 57.084 54.840 -0.048 0.000 0.753 198 L CB -0.435 41.603 42.059 -0.036 0.000 0.890 198 L HN 0.525 nan 8.230 nan 0.000 0.432 199 D N -0.188 120.198 120.400 -0.024 0.000 2.149 199 D HA -0.228 4.412 4.640 -0.001 0.000 0.194 199 D C 1.692 177.980 176.300 -0.021 0.000 1.001 199 D CA 1.350 55.341 54.000 -0.015 0.000 0.849 199 D CB -0.276 40.523 40.800 -0.001 0.000 0.939 199 D HN 0.301 nan 8.370 nan 0.000 0.449 200 N N -0.112 118.570 118.700 -0.030 0.000 2.494 200 N HA -0.020 4.720 4.740 -0.001 0.000 0.182 200 N C 1.461 176.915 175.510 -0.094 0.000 1.076 200 N CA 0.119 53.141 53.050 -0.047 0.000 0.908 200 N CB 0.405 38.867 38.487 -0.042 0.000 0.967 200 N HN 0.139 nan 8.380 nan 0.000 0.449 201 V N 0.919 120.772 119.914 -0.103 0.000 2.535 201 V HA -0.082 4.037 4.120 -0.001 0.000 0.246 201 V C 2.043 178.095 176.094 -0.070 0.000 1.045 201 V CA 1.307 63.533 62.300 -0.123 0.000 1.058 201 V CB -0.119 31.626 31.823 -0.130 0.000 0.689 201 V HN 0.168 nan 8.190 nan 0.000 0.461 202 K N 0.734 121.107 120.400 -0.046 0.000 2.076 202 K HA -0.080 4.239 4.320 -0.001 0.000 0.204 202 K C 2.326 178.924 176.600 -0.004 0.000 1.051 202 K CA 1.562 57.837 56.287 -0.021 0.000 0.949 202 K CB -0.203 32.287 32.500 -0.017 0.000 0.726 202 K HN 0.586 nan 8.250 nan 0.000 0.443 203 S N 0.012 115.708 115.700 -0.006 0.000 2.458 203 S HA 0.031 4.501 4.470 -0.001 0.000 0.223 203 S C 1.590 176.199 174.600 0.016 0.000 1.019 203 S CA 0.628 58.832 58.200 0.008 0.000 0.937 203 S CB 0.196 63.402 63.200 0.010 0.000 0.788 203 S HN 0.134 nan 8.310 nan 0.000 0.511 204 E N 0.306 120.509 120.200 0.005 0.000 2.354 204 E HA 0.366 4.716 4.350 -0.001 0.000 0.203 204 E C 1.809 178.429 176.600 0.033 0.000 0.841 204 E CA 0.090 56.504 56.400 0.023 0.000 1.046 204 E CB -0.018 29.694 29.700 0.020 0.000 1.040 204 E HN 0.245 nan 8.360 nan 0.000 0.504 205 I N 1.362 121.924 120.570 -0.013 0.000 2.202 205 I HA -0.204 3.965 4.170 -0.001 0.000 0.242 205 I C 2.043 178.213 176.117 0.089 0.000 1.091 205 I CA 1.020 62.323 61.300 0.005 0.000 1.368 205 I CB -0.785 37.157 38.000 -0.097 0.000 1.058 205 I HN 0.177 nan 8.210 nan 0.000 0.410 206 I N 1.274 121.888 120.570 0.074 0.000 2.151 206 I HA -0.210 3.959 4.170 -0.001 0.000 0.243 206 I C -0.012 176.208 176.117 0.172 0.000 1.080 206 I CA 2.099 63.490 61.300 0.151 0.000 1.339 206 I CB -2.600 35.456 38.000 0.093 0.000 1.039 206 I HN 0.129 nan 8.210 nan 0.000 0.409 207 P HA -0.110 nan 4.420 nan 0.000 0.216 207 P C 2.173 179.515 177.300 0.071 0.000 1.153 207 P CA 1.459 64.599 63.100 0.067 0.000 0.848 207 P CB -0.067 31.663 31.700 0.049 0.000 0.787 208 M N -2.484 117.181 119.600 0.107 0.000 2.117 208 M HA -0.152 4.328 4.480 -0.001 0.000 0.262 208 M C 2.095 178.477 176.300 0.137 0.000 1.065 208 M CA 1.778 57.149 55.300 0.119 0.000 1.114 208 M CB -1.067 31.643 32.600 0.184 0.000 1.361 208 M HN -0.097 nan 8.290 nan 0.000 0.408 209 F N 1.318 121.291 119.950 0.040 0.000 2.069 209 F HA -0.201 4.326 4.527 -0.001 0.000 0.298 209 F C 2.441 178.252 175.800 0.019 0.000 1.113 209 F CA 1.883 59.901 58.000 0.030 0.000 1.214 209 F CB -0.654 38.356 39.000 0.017 0.000 0.978 209 F HN 0.009 nan 8.300 nan 0.000 0.474 210 S N 0.694 116.250 115.700 -0.239 0.000 2.359 210 S HA -0.237 4.233 4.470 -0.001 0.000 0.224 210 S C 1.940 176.389 174.600 -0.253 0.000 1.035 210 S CA 1.333 59.334 58.200 -0.332 0.000 1.018 210 S CB -0.671 62.466 63.200 -0.105 0.000 0.876 210 S HN 0.487 nan 8.310 nan 0.000 0.448 211 N N 1.444 120.066 118.700 -0.131 0.000 2.043 211 N HA -0.033 4.706 4.740 -0.001 0.000 0.193 211 N C 1.665 177.109 175.510 -0.110 0.000 1.037 211 N CA 1.182 54.177 53.050 -0.092 0.000 0.851 211 N CB -0.432 38.030 38.487 -0.042 0.000 1.027 211 N HN 0.347 nan 8.380 nan 0.000 0.422 212 L N 0.538 121.697 121.223 -0.106 0.000 2.201 212 L HA -0.077 4.262 4.340 -0.001 0.000 0.212 212 L C 2.355 179.139 176.870 -0.142 0.000 1.105 212 L CA 0.846 55.634 54.840 -0.087 0.000 0.775 212 L CB -0.340 41.712 42.059 -0.011 0.000 0.913 212 L HN 0.122 nan 8.230 nan 0.000 0.440 213 A N -0.404 122.245 122.820 -0.284 0.000 2.014 213 A HA -0.088 4.232 4.320 -0.001 0.000 0.218 213 A C 1.716 179.194 177.584 -0.176 0.000 1.163 213 A CA 1.276 53.135 52.037 -0.297 0.000 0.652 213 A CB -0.288 18.373 19.000 -0.565 0.000 0.808 213 A HN 0.431 nan 8.150 nan 0.000 0.449 214 S N 0.087 115.694 115.700 -0.155 0.000 2.497 214 S HA 0.431 4.900 4.470 -0.001 0.000 0.193 214 S C -0.820 173.732 174.600 -0.079 0.000 1.360 214 S CA -0.566 57.574 58.200 -0.100 0.000 1.204 214 S CB -0.135 63.010 63.200 -0.092 0.000 1.171 214 S HN 0.333 nan 8.310 nan 0.000 0.502 215 D N 0.984 121.341 120.400 -0.073 0.000 2.193 215 D HA 0.207 4.847 4.640 -0.001 0.000 0.249 215 D C 1.110 177.379 176.300 -0.051 0.000 1.034 215 D CA -0.612 53.352 54.000 -0.060 0.000 0.902 215 D CB 1.274 42.039 40.800 -0.058 0.000 1.182 215 D HN 0.412 nan 8.370 nan 0.000 0.436 216 E N 1.659 121.831 120.200 -0.046 0.000 2.077 216 E HA -0.230 4.119 4.350 -0.001 0.000 0.193 216 E C 0.066 176.641 176.600 -0.043 0.000 0.989 216 E CA 0.820 57.195 56.400 -0.041 0.000 0.800 216 E CB 0.192 29.869 29.700 -0.038 0.000 0.746 216 E HN 0.366 nan 8.360 nan 0.000 0.452 217 Q N 1.376 121.147 119.800 -0.048 0.000 2.293 217 Q HA -0.018 4.321 4.340 -0.001 0.000 0.263 217 Q C 0.065 176.032 176.000 -0.056 0.000 1.002 217 Q CA 0.272 56.044 55.803 -0.052 0.000 0.910 217 Q CB 1.451 30.155 28.738 -0.056 0.000 1.185 217 Q HN 0.315 nan 8.270 nan 0.000 0.401 218 D N 0.631 120.994 120.400 -0.061 0.000 2.312 218 D HA -0.143 4.497 4.640 -0.001 0.000 0.211 218 D C 0.958 177.209 176.300 -0.081 0.000 0.964 218 D CA 1.102 55.059 54.000 -0.072 0.000 0.877 218 D CB 0.044 40.792 40.800 -0.086 0.000 0.924 218 D HN 0.446 nan 8.370 nan 0.000 0.515 219 S N -0.299 115.355 115.700 -0.077 0.000 2.481 219 S HA -0.044 4.426 4.470 -0.001 0.000 0.231 219 S C 1.966 176.535 174.600 -0.052 0.000 0.996 219 S CA 0.550 58.705 58.200 -0.075 0.000 0.942 219 S CB -0.299 62.858 63.200 -0.071 0.000 0.768 219 S HN 0.149 nan 8.310 nan 0.000 0.520 220 V N 1.680 121.566 119.914 -0.048 0.000 2.599 220 V HA 0.080 4.200 4.120 -0.001 0.000 0.245 220 V C 2.845 178.924 176.094 -0.024 0.000 1.046 220 V CA 1.087 63.367 62.300 -0.033 0.000 1.065 220 V CB -0.546 31.253 31.823 -0.040 0.000 0.703 220 V HN 0.421 nan 8.190 nan 0.000 0.464 221 R N 0.628 121.106 120.500 -0.038 0.000 2.066 221 R HA -0.090 4.250 4.340 -0.001 0.000 0.232 221 R C 2.403 178.698 176.300 -0.009 0.000 1.131 221 R CA 1.798 57.878 56.100 -0.034 0.000 0.955 221 R CB -0.662 29.610 30.300 -0.047 0.000 0.851 221 R HN 0.572 nan 8.270 nan 0.000 0.432 222 L N -0.311 120.899 121.223 -0.023 0.000 2.349 222 L HA -0.095 4.245 4.340 -0.001 0.000 0.220 222 L C 1.747 178.636 176.870 0.030 0.000 1.130 222 L CA 1.387 56.224 54.840 -0.005 0.000 0.791 222 L CB -0.425 41.604 42.059 -0.051 0.000 0.918 222 L HN 0.151 nan 8.230 nan 0.000 0.444 223 L N 0.637 121.878 121.223 0.029 0.000 2.179 223 L HA 0.016 4.356 4.340 -0.001 0.000 0.208 223 L C 3.048 179.975 176.870 0.095 0.000 1.096 223 L CA 0.758 55.631 54.840 0.055 0.000 0.779 223 L CB -0.590 41.497 42.059 0.046 0.000 0.922 223 L HN 0.368 nan 8.230 nan 0.000 0.443 224 A N -0.144 122.740 122.820 0.107 0.000 2.076 224 A HA -0.131 4.188 4.320 -0.001 0.000 0.220 224 A C 2.286 180.037 177.584 0.278 0.000 1.160 224 A CA 1.358 53.520 52.037 0.208 0.000 0.653 224 A CB -0.646 18.432 19.000 0.130 0.000 0.801 224 A HN 0.219 nan 8.150 nan 0.000 0.455 225 V N 0.064 120.082 119.914 0.173 0.000 2.343 225 V HA -0.283 3.836 4.120 -0.001 0.000 0.247 225 V C 2.570 178.729 176.094 0.109 0.000 1.051 225 V CA 2.450 64.842 62.300 0.154 0.000 1.036 225 V CB -0.732 31.159 31.823 0.113 0.000 0.654 225 V HN 0.803 nan 8.190 nan 0.000 0.451 226 E N 1.240 121.495 120.200 0.092 0.000 2.031 226 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 226 E C 2.116 178.737 176.600 0.035 0.000 0.994 226 E CA 1.869 58.304 56.400 0.059 0.000 0.800 226 E CB -0.611 29.128 29.700 0.065 0.000 0.752 226 E HN 0.464 nan 8.360 nan 0.000 0.447 227 A N 0.391 123.252 122.820 0.068 0.000 1.986 227 A HA -0.253 4.067 4.320 -0.001 0.000 0.220 227 A C 2.654 180.141 177.584 -0.162 0.000 1.171 227 A CA 1.661 53.710 52.037 0.020 0.000 0.640 227 A CB -1.460 17.626 19.000 0.143 0.000 0.811 227 A HN 0.600 nan 8.150 nan 0.000 0.451 228 C N -1.042 118.164 119.300 -0.156 0.000 2.429 228 C HA -0.051 4.408 4.460 -0.001 0.000 0.277 228 C C 2.666 177.515 174.990 -0.235 0.000 1.262 228 C CA 1.246 60.035 59.018 -0.382 0.000 1.733 228 C CB -1.472 26.229 27.740 -0.064 0.000 2.010 228 C HN 0.435 nan 8.230 nan 0.000 0.483 229 V N 1.665 121.510 119.914 -0.115 0.000 2.287 229 V HA -0.271 3.849 4.120 -0.001 0.000 0.248 229 V C 2.124 178.151 176.094 -0.111 0.000 1.053 229 V CA 2.785 65.029 62.300 -0.092 0.000 1.027 229 V CB -1.029 30.766 31.823 -0.047 0.000 0.646 229 V HN 0.637 nan 8.190 nan 0.000 0.447 230 N N -0.106 118.526 118.700 -0.112 0.000 2.106 230 N HA -0.091 4.648 4.740 -0.001 0.000 0.188 230 N C 1.831 177.251 175.510 -0.151 0.000 1.029 230 N CA 1.473 54.458 53.050 -0.109 0.000 0.848 230 N CB -0.212 38.225 38.487 -0.083 0.000 1.007 230 N HN 0.401 nan 8.380 nan 0.000 0.423 231 I N 0.979 121.412 120.570 -0.228 0.000 2.252 231 I HA -0.207 3.963 4.170 -0.001 0.000 0.245 231 I C 2.386 178.378 176.117 -0.209 0.000 1.102 231 I CA 0.676 61.822 61.300 -0.255 0.000 1.385 231 I CB -0.348 37.405 38.000 -0.413 0.000 1.064 231 I HN 0.173 nan 8.210 nan 0.000 0.414 232 A N 0.290 122.982 122.820 -0.213 0.000 2.019 232 A HA -0.232 4.087 4.320 -0.001 0.000 0.219 232 A C 2.226 179.744 177.584 -0.109 0.000 1.164 232 A CA 1.426 53.373 52.037 -0.149 0.000 0.644 232 A CB -0.492 18.426 19.000 -0.136 0.000 0.805 232 A HN 0.498 nan 8.150 nan 0.000 0.449 233 Q N -0.514 119.223 119.800 -0.105 0.000 2.172 233 Q HA 0.039 4.379 4.340 -0.001 0.000 0.200 233 Q C 1.815 177.769 176.000 -0.077 0.000 0.964 233 Q CA 1.084 56.839 55.803 -0.081 0.000 0.855 233 Q CB -0.243 28.452 28.738 -0.071 0.000 0.918 233 Q HN 0.664 nan 8.270 nan 0.000 0.444 234 L N 0.275 121.444 121.223 -0.090 0.000 2.313 234 L HA 0.007 4.347 4.340 -0.001 0.000 0.214 234 L C 0.606 177.432 176.870 -0.074 0.000 1.119 234 L CA 0.194 54.984 54.840 -0.083 0.000 0.809 234 L CB -0.001 41.997 42.059 -0.101 0.000 0.933 234 L HN 0.139 nan 8.230 nan 0.000 0.449 235 L N 1.105 122.282 121.223 -0.077 0.000 2.312 235 L HA 0.303 4.643 4.340 -0.001 0.000 0.281 235 L C -1.930 174.910 176.870 -0.050 0.000 1.070 235 L CA -2.062 52.741 54.840 -0.063 0.000 0.805 235 L CB 0.562 42.582 42.059 -0.065 0.000 1.174 235 L HN -0.184 nan 8.230 nan 0.000 0.434 236 P HA -0.059 nan 4.420 nan 0.000 0.269 236 P C 0.117 177.398 177.300 -0.032 0.000 1.209 236 P CA -0.223 62.857 63.100 -0.034 0.000 0.776 236 P CB 0.787 32.470 31.700 -0.027 0.000 0.876 237 Q N 2.227 122.009 119.800 -0.031 0.000 2.133 237 Q HA -0.253 4.086 4.340 -0.001 0.000 0.208 237 Q C 1.244 177.231 176.000 -0.022 0.000 0.991 237 Q CA 2.315 58.101 55.803 -0.029 0.000 0.867 237 Q CB -0.170 28.551 28.738 -0.028 0.000 0.911 237 Q HN 0.454 nan 8.270 nan 0.000 0.417 238 E N 0.604 120.793 120.200 -0.018 0.000 2.204 238 E HA -0.143 4.206 4.350 -0.001 0.000 0.195 238 E C 1.451 178.044 176.600 -0.011 0.000 0.990 238 E CA 1.371 57.763 56.400 -0.013 0.000 0.821 238 E CB -0.144 29.549 29.700 -0.011 0.000 0.750 238 E HN 0.404 nan 8.360 nan 0.000 0.477 239 D N -0.234 120.158 120.400 -0.014 0.000 2.323 239 D HA 0.030 4.669 4.640 -0.001 0.000 0.209 239 D C 1.763 178.058 176.300 -0.009 0.000 0.973 239 D CA 0.209 54.203 54.000 -0.011 0.000 0.874 239 D CB 0.029 40.819 40.800 -0.016 0.000 0.930 239 D HN 0.176 nan 8.370 nan 0.000 0.521 240 L N 0.704 121.918 121.223 -0.015 0.000 2.012 240 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 240 L C 2.432 179.304 176.870 0.004 0.000 1.073 240 L CA 1.197 56.029 54.840 -0.013 0.000 0.748 240 L CB -0.282 41.764 42.059 -0.023 0.000 0.891 240 L HN -0.035 nan 8.230 nan 0.000 0.431 241 E N 0.356 120.559 120.200 0.005 0.000 2.118 241 E HA -0.206 4.144 4.350 -0.001 0.000 0.195 241 E C 1.974 178.586 176.600 0.020 0.000 0.992 241 E CA 1.674 58.082 56.400 0.013 0.000 0.804 241 E CB -0.035 29.670 29.700 0.010 0.000 0.741 241 E HN 0.410 nan 8.360 nan 0.000 0.458 242 A N -0.270 122.560 122.820 0.017 0.000 1.903 242 A HA 0.084 4.403 4.320 -0.001 0.000 0.213 242 A C 2.109 179.712 177.584 0.031 0.000 1.185 242 A CA 0.927 52.976 52.037 0.020 0.000 0.628 242 A CB -0.249 18.759 19.000 0.014 0.000 0.830 242 A HN 0.288 nan 8.150 nan 0.000 0.446 243 L N -1.170 120.073 121.223 0.033 0.000 2.529 243 L HA 0.122 4.461 4.340 -0.001 0.000 0.223 243 L C 1.487 178.413 176.870 0.093 0.000 1.113 243 L CA 0.115 54.986 54.840 0.053 0.000 0.861 243 L CB 0.404 42.483 42.059 0.035 0.000 1.012 243 L HN 0.219 nan 8.230 nan 0.000 0.461 244 V N -2.031 117.931 119.914 0.081 0.000 3.279 244 V HA 0.009 4.129 4.120 -0.001 0.000 0.213 244 V C 2.035 178.205 176.094 0.127 0.000 1.335 244 V CA 0.091 62.469 62.300 0.129 0.000 1.317 244 V CB 0.301 32.144 31.823 0.033 0.000 1.209 244 V HN 0.070 nan 8.190 nan 0.000 0.525 245 M N 0.512 120.153 119.600 0.069 0.000 2.108 245 M HA -0.154 4.326 4.480 -0.001 0.000 0.257 245 M C -0.186 176.154 176.300 0.068 0.000 1.071 245 M CA 2.242 57.578 55.300 0.061 0.000 1.093 245 M CB -2.623 29.999 32.600 0.037 0.000 1.345 245 M HN 0.245 nan 8.290 nan 0.000 0.403 246 P HA -0.113 nan 4.420 nan 0.000 0.215 246 P C 1.564 178.894 177.300 0.051 0.000 1.157 246 P CA 1.696 64.825 63.100 0.048 0.000 0.874 246 P CB -0.310 31.413 31.700 0.037 0.000 0.790 247 T N -0.035 114.560 114.554 0.068 0.000 2.708 247 T HA -0.162 4.188 4.350 -0.001 0.000 0.266 247 T C 1.677 176.429 174.700 0.086 0.000 1.037 247 T CA 1.106 63.234 62.100 0.046 0.000 1.146 247 T CB -0.988 67.906 68.868 0.044 0.000 0.865 247 T HN -0.000 nan 8.240 nan 0.000 0.435 248 L N 1.205 122.512 121.223 0.141 0.000 2.093 248 L HA 0.063 4.403 4.340 -0.001 0.000 0.208 248 L C 2.410 179.338 176.870 0.098 0.000 1.085 248 L CA 1.596 56.515 54.840 0.132 0.000 0.755 248 L CB -0.555 41.569 42.059 0.109 0.000 0.904 248 L HN 0.057 nan 8.230 nan 0.000 0.435 249 R N -1.068 119.480 120.500 0.081 0.000 2.092 249 R HA -0.177 4.162 4.340 -0.001 0.000 0.231 249 R C 2.257 178.596 176.300 0.066 0.000 1.119 249 R CA 1.292 57.438 56.100 0.076 0.000 0.970 249 R CB -0.267 30.071 30.300 0.063 0.000 0.864 249 R HN 0.390 nan 8.270 nan 0.000 0.440 250 Q N 0.693 120.524 119.800 0.050 0.000 2.079 250 Q HA -0.053 4.286 4.340 -0.001 0.000 0.200 250 Q C 1.891 177.915 176.000 0.039 0.000 0.974 250 Q CA 1.975 57.798 55.803 0.033 0.000 0.840 250 Q CB -0.275 28.469 28.738 0.010 0.000 0.898 250 Q HN 0.312 nan 8.270 nan 0.000 0.430 251 A N 0.209 123.059 122.820 0.050 0.000 1.940 251 A HA -0.088 4.232 4.320 -0.001 0.000 0.219 251 A C 2.201 179.832 177.584 0.078 0.000 1.176 251 A CA 1.892 53.965 52.037 0.059 0.000 0.631 251 A CB -1.048 18.000 19.000 0.081 0.000 0.814 251 A HN 0.479 nan 8.150 nan 0.000 0.446 252 A N -1.264 121.614 122.820 0.097 0.000 2.168 252 A HA -0.004 4.316 4.320 -0.001 0.000 0.215 252 A C 1.753 179.385 177.584 0.079 0.000 1.152 252 A CA 1.471 53.574 52.037 0.109 0.000 0.716 252 A CB -0.264 18.824 19.000 0.146 0.000 0.794 252 A HN 0.620 nan 8.150 nan 0.000 0.465 253 E N -0.306 119.933 120.200 0.065 0.000 2.526 253 E HA 0.018 4.367 4.350 -0.001 0.000 0.208 253 E C -0.280 176.348 176.600 0.046 0.000 0.997 253 E CA -0.406 56.024 56.400 0.050 0.000 0.961 253 E CB 0.184 29.910 29.700 0.042 0.000 1.030 253 E HN 0.557 nan 8.360 nan 0.000 0.483 254 D N 1.175 121.603 120.400 0.046 0.000 2.548 254 D HA -0.110 4.530 4.640 -0.001 0.000 0.231 254 D C 1.019 177.346 176.300 0.044 0.000 1.142 254 D CA 0.337 54.358 54.000 0.035 0.000 0.866 254 D CB 0.928 41.744 40.800 0.027 0.000 1.190 254 D HN -0.064 nan 8.370 nan 0.000 0.469 255 K N 1.341 121.760 120.400 0.032 0.000 2.063 255 K HA -0.127 4.193 4.320 -0.001 0.000 0.208 255 K C 0.898 177.538 176.600 0.066 0.000 1.048 255 K CA 0.466 56.779 56.287 0.042 0.000 0.928 255 K CB -0.575 31.940 32.500 0.025 0.000 0.713 255 K HN 0.319 nan 8.250 nan 0.000 0.442 256 S N 1.809 117.531 115.700 0.037 0.000 2.481 256 S HA 0.040 4.510 4.470 -0.001 0.000 0.276 256 S C 1.322 175.946 174.600 0.040 0.000 1.247 256 S CA -0.748 57.460 58.200 0.013 0.000 1.053 256 S CB 0.152 63.303 63.200 -0.082 0.000 0.925 256 S HN 0.408 nan 8.310 nan 0.000 0.491 257 W N 6.665 127.976 121.300 0.019 0.000 2.525 257 W HA -0.097 4.563 4.660 -0.001 0.000 0.259 257 W C 1.035 177.596 176.519 0.071 0.000 1.253 257 W CA 0.199 57.568 57.345 0.039 0.000 1.262 257 W CB -0.679 28.795 29.460 0.023 0.000 1.122 257 W HN 0.709 nan 8.180 nan 0.000 0.607 258 R N 1.079 121.100 120.500 -0.799 0.000 2.066 258 R HA -0.091 4.249 4.340 -0.001 0.000 0.232 258 R C 2.483 178.652 176.300 -0.217 0.000 1.131 258 R CA 1.853 57.471 56.100 -0.802 0.000 0.955 258 R CB -0.920 28.902 30.300 -0.797 0.000 0.851 258 R HN 0.041 nan 8.270 nan 0.000 0.432 259 V N 1.466 121.300 119.914 -0.133 0.000 2.287 259 V HA -0.264 3.856 4.120 -0.001 0.000 0.248 259 V C 2.356 178.486 176.094 0.061 0.000 1.053 259 V CA 1.798 64.087 62.300 -0.018 0.000 1.027 259 V CB -0.525 31.290 31.823 -0.014 0.000 0.646 259 V HN 0.305 nan 8.190 nan 0.000 0.447 260 R N -1.102 119.451 120.500 0.089 0.000 2.081 260 R HA -0.212 4.128 4.340 -0.001 0.000 0.235 260 R C 2.323 178.728 176.300 0.174 0.000 1.131 260 R CA 2.081 58.262 56.100 0.135 0.000 0.960 260 R CB -0.699 29.694 30.300 0.156 0.000 0.856 260 R HN 0.617 nan 8.270 nan 0.000 0.436 261 Y N 1.248 121.596 120.300 0.081 0.000 2.151 261 Y HA -0.259 4.291 4.550 -0.000 0.000 0.284 261 Y C 2.314 178.258 175.900 0.072 0.000 1.166 261 Y CA 1.604 59.769 58.100 0.107 0.000 1.163 261 Y CB -0.052 38.466 38.460 0.097 0.000 0.974 261 Y HN -0.073 nan 8.280 nan 0.000 0.511 262 M N -0.969 118.755 119.600 0.207 0.000 2.279 262 M HA -0.170 4.309 4.480 -0.001 0.000 0.264 262 M C 2.118 178.470 176.300 0.087 0.000 1.062 262 M CA 0.946 56.320 55.300 0.123 0.000 1.099 262 M CB -1.209 31.461 32.600 0.117 0.000 1.394 262 M HN 0.241 nan 8.290 nan 0.000 0.426 263 V N 0.229 120.212 119.914 0.115 0.000 2.307 263 V HA -0.209 3.911 4.120 -0.001 0.000 0.245 263 V C 2.627 178.867 176.094 0.243 0.000 1.045 263 V CA 1.778 64.188 62.300 0.183 0.000 1.024 263 V CB -1.202 30.744 31.823 0.206 0.000 0.651 263 V HN 0.473 nan 8.190 nan 0.000 0.449 264 A N -0.131 122.740 122.820 0.084 0.000 1.933 264 A HA -0.295 4.025 4.320 -0.001 0.000 0.218 264 A C 2.008 179.599 177.584 0.012 0.000 1.175 264 A CA 2.185 54.212 52.037 -0.016 0.000 0.628 264 A CB -0.696 18.207 19.000 -0.162 0.000 0.814 264 A HN 0.605 nan 8.150 nan 0.000 0.444 265 D N -0.337 120.002 120.400 -0.101 0.000 2.104 265 D HA -0.119 4.521 4.640 -0.001 0.000 0.194 265 D C 1.326 177.658 176.300 0.053 0.000 0.994 265 D CA 1.197 55.147 54.000 -0.084 0.000 0.830 265 D CB 0.031 40.748 40.800 -0.139 0.000 0.959 265 D HN 0.182 nan 8.370 nan 0.000 0.452 266 K N -0.117 120.336 120.400 0.088 0.000 2.520 266 K HA 0.021 4.340 4.320 -0.001 0.000 0.205 266 K C 1.039 177.708 176.600 0.115 0.000 1.035 266 K CA -0.270 56.070 56.287 0.089 0.000 1.188 266 K CB -0.265 32.274 32.500 0.065 0.000 0.894 266 K HN 0.237 nan 8.250 nan 0.000 0.497 267 F N 2.603 122.550 119.950 -0.005 0.000 2.026 267 F HA -0.291 4.235 4.527 -0.001 0.000 0.296 267 F C 2.557 178.358 175.800 0.003 0.000 1.133 267 F CA 2.410 60.400 58.000 -0.017 0.000 1.188 267 F CB -0.717 38.246 39.000 -0.062 0.000 0.968 267 F HN 0.199 nan 8.300 nan 0.000 0.476 268 T N -2.082 112.568 114.554 0.159 0.000 2.737 268 T HA -0.263 4.087 4.350 -0.001 0.000 0.269 268 T C 1.700 176.403 174.700 0.006 0.000 1.040 268 T CA 1.802 63.957 62.100 0.092 0.000 1.142 268 T CB -0.669 68.252 68.868 0.087 0.000 0.861 268 T HN 0.254 nan 8.240 nan 0.000 0.456 269 E N 1.195 121.396 120.200 0.001 0.000 2.106 269 E HA 0.090 4.440 4.350 -0.001 0.000 0.192 269 E C 2.152 178.713 176.600 -0.065 0.000 0.984 269 E CA 0.774 57.160 56.400 -0.023 0.000 0.806 269 E CB -0.491 29.205 29.700 -0.006 0.000 0.750 269 E HN 0.496 nan 8.360 nan 0.000 0.458 270 L N 0.406 121.563 121.223 -0.110 0.000 2.093 270 L HA -0.189 4.151 4.340 -0.001 0.000 0.208 270 L C 2.658 179.421 176.870 -0.178 0.000 1.085 270 L CA 1.149 55.891 54.840 -0.164 0.000 0.755 270 L CB -0.315 41.590 42.059 -0.256 0.000 0.904 270 L HN 0.192 nan 8.230 nan 0.000 0.435 271 Q N 0.448 120.134 119.800 -0.190 0.000 2.061 271 Q HA -0.253 4.087 4.340 -0.001 0.000 0.204 271 Q C 2.173 178.118 176.000 -0.092 0.000 0.984 271 Q CA 1.772 57.500 55.803 -0.124 0.000 0.846 271 Q CB 0.121 28.842 28.738 -0.029 0.000 0.902 271 Q HN 0.430 nan 8.270 nan 0.000 0.421 272 K N -0.468 119.887 120.400 -0.076 0.000 2.062 272 K HA -0.052 4.267 4.320 -0.001 0.000 0.205 272 K C 2.026 178.586 176.600 -0.067 0.000 1.051 272 K CA 0.934 57.182 56.287 -0.065 0.000 0.941 272 K CB -0.089 32.380 32.500 -0.051 0.000 0.719 272 K HN 0.195 nan 8.250 nan 0.000 0.440 273 A N 0.975 123.752 122.820 -0.073 0.000 2.015 273 A HA -0.077 4.243 4.320 -0.001 0.000 0.219 273 A C 2.252 179.791 177.584 -0.076 0.000 1.163 273 A CA 1.113 53.105 52.037 -0.074 0.000 0.646 273 A CB -0.279 18.671 19.000 -0.082 0.000 0.806 273 A HN 0.076 nan 8.150 nan 0.000 0.448 274 V N -1.366 118.500 119.914 -0.081 0.000 2.599 274 V HA 0.379 4.498 4.120 -0.001 0.000 0.245 274 V C 1.249 177.307 176.094 -0.060 0.000 1.046 274 V CA 1.425 63.682 62.300 -0.072 0.000 1.065 274 V CB -0.432 31.342 31.823 -0.081 0.000 0.703 274 V HN 1.182 nan 8.190 nan 0.000 0.464 275 G N -0.361 108.401 108.800 -0.064 0.000 2.576 275 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.686 275 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.686 275 G C -1.981 172.883 174.900 -0.061 0.000 1.242 275 G CA -0.192 44.873 45.100 -0.058 0.000 0.819 275 G HN 0.069 nan 8.290 nan 0.000 0.655 276 P HA -0.130 nan 4.420 nan 0.000 0.215 276 P C 1.373 178.641 177.300 -0.054 0.000 1.157 276 P CA 1.954 65.011 63.100 -0.071 0.000 0.874 276 P CB 0.149 31.808 31.700 -0.069 0.000 0.790 277 E N -0.196 119.980 120.200 -0.039 0.000 2.038 277 E HA -0.137 4.212 4.350 -0.001 0.000 0.195 277 E C 2.257 178.849 176.600 -0.014 0.000 1.000 277 E CA 1.080 57.466 56.400 -0.025 0.000 0.803 277 E CB -0.597 29.091 29.700 -0.020 0.000 0.750 277 E HN 0.248 nan 8.360 nan 0.000 0.448 278 I N 0.791 121.351 120.570 -0.016 0.000 2.394 278 I HA -0.212 3.958 4.170 -0.001 0.000 0.251 278 I C 2.177 178.298 176.117 0.007 0.000 1.136 278 I CA 0.924 62.221 61.300 -0.005 0.000 1.425 278 I CB -0.283 37.709 38.000 -0.014 0.000 1.079 278 I HN 0.123 nan 8.210 nan 0.000 0.425 279 T N 0.504 115.053 114.554 -0.009 0.000 2.788 279 T HA -0.221 4.128 4.350 -0.001 0.000 0.268 279 T C 1.957 176.692 174.700 0.059 0.000 1.044 279 T CA 1.346 63.457 62.100 0.019 0.000 1.139 279 T CB -0.119 68.722 68.868 -0.045 0.000 0.867 279 T HN 0.310 nan 8.240 nan 0.000 0.454 280 K N 0.256 120.666 120.400 0.015 0.000 2.062 280 K HA -0.084 4.236 4.320 -0.001 0.000 0.205 280 K C 2.309 178.942 176.600 0.054 0.000 1.051 280 K CA 1.329 57.631 56.287 0.025 0.000 0.941 280 K CB -0.088 32.408 32.500 -0.007 0.000 0.719 280 K HN 0.248 nan 8.250 nan 0.000 0.440 281 T N 1.172 115.752 114.554 0.043 0.000 2.668 281 T HA -0.074 4.276 4.350 -0.001 0.000 0.258 281 T C 1.226 175.968 174.700 0.070 0.000 1.051 281 T CA 1.414 63.542 62.100 0.047 0.000 1.155 281 T CB -0.182 68.704 68.868 0.031 0.000 0.864 281 T HN 0.268 nan 8.240 nan 0.000 0.413 282 D N 0.903 121.346 120.400 0.071 0.000 2.269 282 D HA 0.159 4.799 4.640 -0.001 0.000 0.220 282 D C 2.295 178.679 176.300 0.140 0.000 0.962 282 D CA 0.483 54.535 54.000 0.087 0.000 0.884 282 D CB -0.197 40.639 40.800 0.060 0.000 1.023 282 D HN 0.239 nan 8.370 nan 0.000 0.484 283 L N 1.078 122.391 121.223 0.149 0.000 2.141 283 L HA -0.082 4.257 4.340 -0.001 0.000 0.209 283 L C 2.546 179.688 176.870 0.453 0.000 1.094 283 L CA 0.440 55.431 54.840 0.252 0.000 0.763 283 L CB -0.331 41.776 42.059 0.080 0.000 0.908 283 L HN -0.100 nan 8.230 nan 0.000 0.437 284 V N 0.374 120.532 119.914 0.406 0.000 2.407 284 V HA -0.151 3.969 4.120 -0.001 0.000 0.248 284 V C -0.185 176.100 176.094 0.319 0.000 1.055 284 V CA 1.944 64.514 62.300 0.450 0.000 1.049 284 V CB -1.262 30.749 31.823 0.313 0.000 0.662 284 V HN 0.344 nan 8.190 nan 0.000 0.455 285 P HA -0.020 nan 4.420 nan 0.000 0.217 285 P C 1.735 179.118 177.300 0.139 0.000 1.154 285 P CA 1.618 64.808 63.100 0.149 0.000 0.841 285 P CB -0.112 31.656 31.700 0.112 0.000 0.788 286 A N -0.620 122.319 122.820 0.198 0.000 1.883 286 A HA -0.237 4.083 4.320 -0.001 0.000 0.217 286 A C 2.116 179.754 177.584 0.089 0.000 1.186 286 A CA 1.528 53.678 52.037 0.188 0.000 0.624 286 A CB -1.941 17.249 19.000 0.317 0.000 0.822 286 A HN 0.098 nan 8.150 nan 0.000 0.444 287 F N 0.795 120.700 119.950 -0.075 0.000 2.120 287 F HA -0.249 4.277 4.527 -0.001 0.000 0.300 287 F C 2.520 178.144 175.800 -0.293 0.000 1.095 287 F CA 2.235 59.919 58.000 -0.528 0.000 1.249 287 F CB -0.552 38.052 39.000 -0.660 0.000 0.995 287 F HN 0.361 nan 8.300 nan 0.000 0.480 288 Q N -0.334 119.401 119.800 -0.109 0.000 2.084 288 Q HA -0.211 4.129 4.340 -0.001 0.000 0.202 288 Q C 1.999 177.899 176.000 -0.166 0.000 0.978 288 Q CA 1.500 57.218 55.803 -0.142 0.000 0.844 288 Q CB -0.277 28.459 28.738 -0.005 0.000 0.898 288 Q HN 0.424 nan 8.270 nan 0.000 0.426 289 N N 0.692 119.328 118.700 -0.106 0.000 2.058 289 N HA -0.127 4.613 4.740 -0.001 0.000 0.191 289 N C 1.878 177.302 175.510 -0.142 0.000 1.037 289 N CA 1.028 54.027 53.050 -0.084 0.000 0.848 289 N CB -0.396 38.074 38.487 -0.027 0.000 1.021 289 N HN 0.196 nan 8.380 nan 0.000 0.422 290 L N 0.648 121.745 121.223 -0.209 0.000 2.081 290 L HA -0.105 4.234 4.340 -0.001 0.000 0.212 290 L C 2.128 178.813 176.870 -0.309 0.000 1.080 290 L CA 1.021 55.710 54.840 -0.252 0.000 0.754 290 L CB -0.368 41.481 42.059 -0.350 0.000 0.893 290 L HN 0.179 nan 8.230 nan 0.000 0.433 291 M N -0.840 118.501 119.600 -0.433 0.000 2.686 291 M HA -0.105 4.375 4.480 -0.001 0.000 0.246 291 M C 0.984 177.157 176.300 -0.211 0.000 1.096 291 M CA 1.288 56.361 55.300 -0.378 0.000 1.076 291 M CB 0.025 32.345 32.600 -0.466 0.000 1.504 291 M HN 0.137 nan 8.290 nan 0.000 0.524 292 K N -0.626 119.675 120.400 -0.164 0.000 2.536 292 K HA 0.136 4.456 4.320 -0.001 0.000 0.203 292 K C -0.151 176.407 176.600 -0.071 0.000 1.063 292 K CA -0.202 56.024 56.287 -0.101 0.000 1.063 292 K CB 0.742 33.193 32.500 -0.082 0.000 0.843 292 K HN 0.154 nan 8.250 nan 0.000 0.521 293 D N 0.809 121.166 120.400 -0.072 0.000 2.419 293 D HA -0.075 4.564 4.640 -0.001 0.000 0.236 293 D C 1.351 177.633 176.300 -0.031 0.000 1.165 293 D CA 0.121 54.102 54.000 -0.032 0.000 0.882 293 D CB 1.109 41.906 40.800 -0.006 0.000 1.201 293 D HN 0.296 nan 8.370 nan 0.000 0.443 294 C N 1.573 120.860 119.300 -0.021 0.000 2.450 294 C HA 0.104 4.564 4.460 -0.001 0.000 0.279 294 C C 0.736 175.688 174.990 -0.064 0.000 1.335 294 C CA -0.414 58.581 59.018 -0.038 0.000 1.749 294 C CB -0.506 27.215 27.740 -0.032 0.000 1.963 294 C HN 0.442 nan 8.230 nan 0.000 0.501 295 E N 1.522 121.681 120.200 -0.068 0.000 2.257 295 E HA 0.370 4.719 4.350 -0.001 0.000 0.278 295 E C 1.046 177.595 176.600 -0.086 0.000 1.049 295 E CA 0.502 56.812 56.400 -0.150 0.000 0.876 295 E CB 1.011 30.579 29.700 -0.219 0.000 1.035 295 E HN 0.539 nan 8.360 nan 0.000 0.419 296 A N 3.795 126.555 122.820 -0.100 0.000 2.125 296 A HA -0.187 4.133 4.320 -0.001 0.000 0.219 296 A C 1.767 179.430 177.584 0.132 0.000 1.156 296 A CA 1.157 53.196 52.037 0.004 0.000 0.671 296 A CB -0.095 18.909 19.000 0.007 0.000 0.794 296 A HN 0.437 nan 8.150 nan 0.000 0.459 297 E N -0.367 119.865 120.200 0.054 0.000 2.028 297 E HA -0.094 4.256 4.350 -0.001 0.000 0.191 297 E C 2.063 178.916 176.600 0.421 0.000 0.988 297 E CA 1.326 57.901 56.400 0.293 0.000 0.799 297 E CB -0.448 29.336 29.700 0.139 0.000 0.755 297 E HN 0.305 nan 8.360 nan 0.000 0.447 298 V N 1.182 121.310 119.914 0.356 0.000 2.287 298 V HA -0.299 3.821 4.120 -0.001 0.000 0.248 298 V C 2.203 178.327 176.094 0.050 0.000 1.053 298 V CA 2.080 64.535 62.300 0.259 0.000 1.027 298 V CB -0.518 31.440 31.823 0.225 0.000 0.646 298 V HN 0.221 nan 8.190 nan 0.000 0.447 299 R N 0.348 120.854 120.500 0.010 0.000 2.083 299 R HA -0.165 4.175 4.340 -0.001 0.000 0.237 299 R C 2.463 178.711 176.300 -0.087 0.000 1.137 299 R CA 1.599 57.654 56.100 -0.075 0.000 0.951 299 R CB -0.741 29.520 30.300 -0.065 0.000 0.851 299 R HN 0.545 nan 8.270 nan 0.000 0.434 300 A N 1.464 124.255 122.820 -0.049 0.000 1.902 300 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 300 A C 2.430 179.957 177.584 -0.096 0.000 1.181 300 A CA 1.702 53.656 52.037 -0.138 0.000 0.623 300 A CB -0.623 18.148 19.000 -0.381 0.000 0.818 300 A HN 0.408 nan 8.150 nan 0.000 0.443 301 A N -0.071 122.715 122.820 -0.058 0.000 1.877 301 A HA 0.139 4.458 4.320 -0.001 0.000 0.216 301 A C 2.549 180.096 177.584 -0.061 0.000 1.186 301 A CA 2.286 54.255 52.037 -0.112 0.000 0.620 301 A CB -1.165 17.619 19.000 -0.360 0.000 0.822 301 A HN 1.086 nan 8.150 nan 0.000 0.443 302 A N -0.251 122.488 122.820 -0.134 0.000 1.865 302 A HA -0.125 4.194 4.320 -0.001 0.000 0.217 302 A C 2.440 179.972 177.584 -0.087 0.000 1.191 302 A CA 2.312 54.227 52.037 -0.203 0.000 0.623 302 A CB -1.139 17.555 19.000 -0.509 0.000 0.826 302 A HN 0.515 nan 8.150 nan 0.000 0.444 303 S N -0.888 114.747 115.700 -0.109 0.000 2.374 303 S HA -0.273 4.197 4.470 -0.001 0.000 0.227 303 S C 1.889 176.543 174.600 0.089 0.000 1.037 303 S CA 1.832 60.017 58.200 -0.024 0.000 1.024 303 S CB -0.640 62.535 63.200 -0.042 0.000 0.861 303 S HN 0.803 nan 8.310 nan 0.000 0.456 304 H N 1.724 120.783 119.070 -0.019 0.000 2.422 304 H HA 0.022 4.578 4.556 -0.000 0.000 0.298 304 H C 1.665 177.026 175.328 0.054 0.000 1.098 304 H CA 1.346 57.396 56.048 0.005 0.000 1.315 304 H CB 0.053 29.802 29.762 -0.022 0.000 1.382 304 H HN 0.086 nan 8.280 nan 0.000 0.523 305 K N -0.135 120.324 120.400 0.098 0.000 2.459 305 K HA 0.028 4.348 4.320 -0.001 0.000 0.193 305 K C 2.154 178.836 176.600 0.135 0.000 1.030 305 K CA 0.348 56.687 56.287 0.087 0.000 1.026 305 K CB -0.140 32.447 32.500 0.145 0.000 0.809 305 K HN 0.191 nan 8.250 nan 0.000 0.504 306 V N 2.213 122.269 119.914 0.236 0.000 2.250 306 V HA -0.343 3.777 4.120 -0.001 0.000 0.253 306 V C 2.636 178.819 176.094 0.150 0.000 1.065 306 V CA 2.171 64.634 62.300 0.271 0.000 1.039 306 V CB -0.316 31.640 31.823 0.221 0.000 0.647 306 V HN 0.403 nan 8.190 nan 0.000 0.446 307 K N -0.467 119.972 120.400 0.066 0.000 2.001 307 K HA -0.249 4.070 4.320 -0.001 0.000 0.208 307 K C 2.208 178.819 176.600 0.019 0.000 1.048 307 K CA 2.092 58.397 56.287 0.030 0.000 0.932 307 K CB -0.255 32.242 32.500 -0.005 0.000 0.715 307 K HN 0.559 nan 8.250 nan 0.000 0.437 308 E N -0.334 119.873 120.200 0.011 0.000 2.070 308 E HA -0.233 4.116 4.350 -0.001 0.000 0.197 308 E C 1.854 178.477 176.600 0.038 0.000 1.004 308 E CA 1.615 58.022 56.400 0.012 0.000 0.805 308 E CB -0.221 29.485 29.700 0.011 0.000 0.744 308 E HN 0.321 nan 8.360 nan 0.000 0.451 309 F N 0.842 120.714 119.950 -0.131 0.000 2.046 309 F HA -0.272 4.255 4.527 -0.000 0.000 0.297 309 F C 2.309 178.021 175.800 -0.146 0.000 1.123 309 F CA 1.545 59.426 58.000 -0.199 0.000 1.199 309 F CB -0.784 37.931 39.000 -0.476 0.000 0.972 309 F HN 0.146 nan 8.300 nan 0.000 0.474 310 C N 0.526 119.760 119.300 -0.109 0.000 2.411 310 C HA -0.180 4.279 4.460 -0.001 0.000 0.279 310 C C 2.629 177.517 174.990 -0.171 0.000 1.288 310 C CA 1.227 60.138 59.018 -0.180 0.000 1.764 310 C CB -1.417 26.305 27.740 -0.029 0.000 1.974 310 C HN 0.539 nan 8.230 nan 0.000 0.498 311 E N 0.930 121.061 120.200 -0.115 0.000 2.150 311 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 311 E C 1.229 177.752 176.600 -0.129 0.000 0.985 311 E CA 0.943 57.285 56.400 -0.096 0.000 0.814 311 E CB -0.129 29.534 29.700 -0.063 0.000 0.752 311 E HN 0.652 nan 8.360 nan 0.000 0.466 312 N N 0.188 118.781 118.700 -0.177 0.000 2.336 312 N HA 0.077 4.817 4.740 -0.001 0.000 0.189 312 N C -0.086 175.275 175.510 -0.248 0.000 1.113 312 N CA 0.199 53.138 53.050 -0.184 0.000 0.858 312 N CB 0.196 38.590 38.487 -0.154 0.000 0.970 312 N HN 0.066 nan 8.380 nan 0.000 0.471 313 L N 1.099 122.135 121.223 -0.312 0.000 2.439 313 L HA 0.092 4.432 4.340 -0.001 0.000 0.269 313 L C 0.802 177.567 176.870 -0.176 0.000 1.179 313 L CA -0.485 54.177 54.840 -0.298 0.000 0.828 313 L CB 0.313 42.189 42.059 -0.305 0.000 1.106 313 L HN 0.100 nan 8.230 nan 0.000 0.467 314 S N 1.795 117.411 115.700 -0.140 0.000 2.555 314 S HA 0.057 4.526 4.470 -0.001 0.000 0.293 314 S C 1.302 175.852 174.600 -0.083 0.000 1.248 314 S CA -0.258 57.884 58.200 -0.097 0.000 1.096 314 S CB 1.102 64.256 63.200 -0.077 0.000 0.881 314 S HN 0.762 nan 8.310 nan 0.000 0.498 315 A N 3.292 126.068 122.820 -0.072 0.000 2.023 315 A HA -0.290 4.029 4.320 -0.001 0.000 0.223 315 A C 1.786 179.340 177.584 -0.051 0.000 1.180 315 A CA 2.456 54.457 52.037 -0.060 0.000 0.659 315 A CB -1.440 17.531 19.000 -0.049 0.000 0.817 315 A HN 1.056 nan 8.150 nan 0.000 0.466 316 D N -0.170 120.202 120.400 -0.048 0.000 2.137 316 D HA -0.232 4.408 4.640 -0.001 0.000 0.193 316 D C 1.925 178.202 176.300 -0.038 0.000 0.993 316 D CA 2.810 56.787 54.000 -0.039 0.000 0.846 316 D CB -0.756 40.021 40.800 -0.037 0.000 0.990 316 D HN 0.675 nan 8.370 nan 0.000 0.448 317 C N -0.023 119.250 119.300 -0.044 0.000 2.618 317 C HA 0.416 4.875 4.460 -0.001 0.000 0.264 317 C C 2.366 177.327 174.990 -0.049 0.000 1.334 317 C CA -0.213 58.781 59.018 -0.040 0.000 1.731 317 C CB -1.374 26.343 27.740 -0.037 0.000 1.852 317 C HN 0.347 nan 8.230 nan 0.000 0.566 318 R N 1.754 122.215 120.500 -0.064 0.000 2.446 318 R HA -0.311 4.029 4.340 -0.001 0.000 0.206 318 R C 2.197 178.464 176.300 -0.054 0.000 1.011 318 R CA 2.689 58.744 56.100 -0.074 0.000 0.780 318 R CB -0.992 29.264 30.300 -0.075 0.000 0.782 318 R HN 0.657 nan 8.270 nan 0.000 0.428 319 E N -0.401 119.774 120.200 -0.042 0.000 2.197 319 E HA -0.276 4.074 4.350 -0.001 0.000 0.205 319 E C 1.748 178.332 176.600 -0.027 0.000 1.029 319 E CA 1.783 58.164 56.400 -0.031 0.000 0.828 319 E CB -0.139 29.548 29.700 -0.022 0.000 0.737 319 E HN 0.432 nan 8.360 nan 0.000 0.464 320 N N -0.147 118.539 118.700 -0.025 0.000 2.396 320 N HA -0.116 4.624 4.740 -0.001 0.000 0.180 320 N C 1.873 177.375 175.510 -0.013 0.000 1.028 320 N CA 1.177 54.216 53.050 -0.019 0.000 0.893 320 N CB 0.351 38.830 38.487 -0.014 0.000 0.967 320 N HN 0.239 nan 8.380 nan 0.000 0.440 321 V N -1.222 118.684 119.914 -0.014 0.000 2.725 321 V HA 0.058 4.178 4.120 -0.001 0.000 0.247 321 V C 2.018 178.124 176.094 0.021 0.000 1.058 321 V CA 0.674 62.978 62.300 0.006 0.000 1.080 321 V CB -0.373 31.450 31.823 0.000 0.000 0.713 321 V HN 0.029 nan 8.190 nan 0.000 0.465 322 I N -0.368 120.204 120.570 0.002 0.000 2.179 322 I HA -0.189 3.981 4.170 -0.001 0.000 0.242 322 I C 2.639 178.752 176.117 -0.006 0.000 1.088 322 I CA 2.268 63.576 61.300 0.014 0.000 1.357 322 I CB -0.228 37.769 38.000 -0.005 0.000 1.051 322 I HN 0.332 nan 8.210 nan 0.000 0.409 323 M N -0.362 119.214 119.600 -0.039 0.000 2.296 323 M HA -0.151 4.328 4.480 -0.001 0.000 0.265 323 M C 2.334 178.595 176.300 -0.065 0.000 1.064 323 M CA 1.531 56.778 55.300 -0.089 0.000 1.109 323 M CB -0.411 32.129 32.600 -0.101 0.000 1.396 323 M HN 0.123 nan 8.290 nan 0.000 0.430 324 S N -1.593 114.093 115.700 -0.025 0.000 2.506 324 S HA 0.032 4.502 4.470 -0.001 0.000 0.230 324 S C 1.764 176.373 174.600 0.016 0.000 1.066 324 S CA 0.324 58.520 58.200 -0.008 0.000 0.940 324 S CB 0.137 63.337 63.200 -0.001 0.000 0.818 324 S HN 0.386 nan 8.310 nan 0.000 0.518 325 Q N 0.199 120.024 119.800 0.041 0.000 2.287 325 Q HA 0.257 4.597 4.340 -0.001 0.000 0.201 325 Q C 1.940 177.998 176.000 0.097 0.000 0.946 325 Q CA 0.700 56.547 55.803 0.074 0.000 0.868 325 Q CB -0.389 28.412 28.738 0.107 0.000 0.967 325 Q HN 0.461 nan 8.270 nan 0.000 0.516 326 I N 0.695 121.337 120.570 0.120 0.000 2.270 326 I HA -0.153 4.017 4.170 -0.001 0.000 0.239 326 I C 2.238 178.405 176.117 0.083 0.000 1.080 326 I CA 0.519 61.911 61.300 0.153 0.000 1.383 326 I CB -0.843 37.291 38.000 0.222 0.000 1.097 326 I HN 0.085 nan 8.210 nan 0.000 0.420 327 L N 1.456 122.705 121.223 0.045 0.000 2.051 327 L HA -0.185 4.154 4.340 -0.001 0.000 0.214 327 L C -0.596 176.279 176.870 0.009 0.000 1.076 327 L CA 2.442 57.291 54.840 0.015 0.000 0.758 327 L CB -1.633 40.403 42.059 -0.039 0.000 0.890 327 L HN 0.157 nan 8.230 nan 0.000 0.433 328 P HA -0.102 nan 4.420 nan 0.000 0.217 328 P C 1.897 179.197 177.300 -0.001 0.000 1.150 328 P CA 1.627 64.728 63.100 0.002 0.000 0.832 328 P CB -0.178 31.523 31.700 0.001 0.000 0.787 329 C N -1.263 118.035 119.300 -0.003 0.000 2.435 329 C HA -0.051 4.409 4.460 -0.001 0.000 0.279 329 C C 2.636 177.609 174.990 -0.028 0.000 1.321 329 C CA 0.458 59.458 59.018 -0.030 0.000 1.752 329 C CB -1.681 26.024 27.740 -0.057 0.000 1.959 329 C HN 0.193 nan 8.230 nan 0.000 0.500 330 I N 0.868 121.437 120.570 -0.001 0.000 2.252 330 I HA -0.208 3.961 4.170 -0.001 0.000 0.245 330 I C 2.466 178.588 176.117 0.010 0.000 1.102 330 I CA 1.531 62.837 61.300 0.009 0.000 1.385 330 I CB -0.405 37.617 38.000 0.037 0.000 1.064 330 I HN 0.372 nan 8.210 nan 0.000 0.414 331 K N 0.343 120.751 120.400 0.015 0.000 2.103 331 K HA -0.192 4.128 4.320 -0.001 0.000 0.207 331 K C 2.086 178.690 176.600 0.006 0.000 1.048 331 K CA 1.125 57.423 56.287 0.019 0.000 0.930 331 K CB -0.059 32.454 32.500 0.023 0.000 0.716 331 K HN 0.212 nan 8.250 nan 0.000 0.444 332 E N 1.014 121.210 120.200 -0.006 0.000 2.017 332 E HA -0.154 4.196 4.350 -0.001 0.000 0.193 332 E C 2.094 178.683 176.600 -0.020 0.000 0.997 332 E CA 1.117 57.508 56.400 -0.015 0.000 0.804 332 E CB -0.266 29.419 29.700 -0.026 0.000 0.757 332 E HN 0.270 nan 8.360 nan 0.000 0.448 333 L N 0.568 121.774 121.223 -0.028 0.000 2.129 333 L HA -0.190 4.149 4.340 -0.001 0.000 0.212 333 L C 2.523 179.383 176.870 -0.017 0.000 1.087 333 L CA 0.654 55.475 54.840 -0.032 0.000 0.757 333 L CB -0.488 41.545 42.059 -0.043 0.000 0.896 333 L HN -0.009 nan 8.230 nan 0.000 0.434 334 V N -1.125 118.786 119.914 -0.005 0.000 2.688 334 V HA -0.240 3.880 4.120 -0.001 0.000 0.256 334 V C 1.876 177.968 176.094 -0.003 0.000 1.084 334 V CA 1.908 64.209 62.300 0.002 0.000 1.103 334 V CB -0.216 31.615 31.823 0.014 0.000 0.688 334 V HN 0.400 nan 8.190 nan 0.000 0.480 335 S N -1.796 113.901 115.700 -0.006 0.000 2.578 335 S HA 0.113 4.583 4.470 -0.001 0.000 0.231 335 S C 0.581 175.174 174.600 -0.012 0.000 0.994 335 S CA -0.438 57.758 58.200 -0.008 0.000 0.956 335 S CB -0.109 63.088 63.200 -0.005 0.000 0.870 335 S HN 0.650 nan 8.310 nan 0.000 0.494 336 D N 1.729 122.119 120.400 -0.016 0.000 2.429 336 D HA 0.046 4.686 4.640 -0.001 0.000 0.233 336 D C 1.255 177.546 176.300 -0.015 0.000 1.202 336 D CA 0.463 54.452 54.000 -0.019 0.000 0.879 336 D CB 0.883 41.668 40.800 -0.024 0.000 1.212 336 D HN 0.219 nan 8.370 nan 0.000 0.465 337 A N 3.774 126.584 122.820 -0.016 0.000 1.854 337 A HA -0.128 4.192 4.320 -0.001 0.000 0.214 337 A C 1.131 178.710 177.584 -0.009 0.000 1.192 337 A CA 0.709 52.737 52.037 -0.015 0.000 0.611 337 A CB -0.497 18.491 19.000 -0.020 0.000 0.832 337 A HN 0.714 nan 8.150 nan 0.000 0.442 338 N N 0.508 119.205 118.700 -0.004 0.000 2.454 338 N HA 0.143 4.882 4.740 -0.001 0.000 0.260 338 N C 0.822 176.350 175.510 0.029 0.000 1.218 338 N CA 0.131 53.190 53.050 0.015 0.000 0.904 338 N CB 0.605 39.112 38.487 0.035 0.000 1.065 338 N HN 0.414 nan 8.380 nan 0.000 0.462 339 Q N 0.755 120.577 119.800 0.037 0.000 2.378 339 Q HA -0.165 4.174 4.340 -0.001 0.000 0.205 339 Q C 0.919 176.960 176.000 0.068 0.000 0.954 339 Q CA 0.647 56.472 55.803 0.036 0.000 0.901 339 Q CB -0.012 28.742 28.738 0.027 0.000 0.981 339 Q HN 0.677 nan 8.270 nan 0.000 0.483 340 H N 0.838 119.896 119.070 -0.020 0.000 2.319 340 H HA -0.113 4.443 4.556 -0.000 0.000 0.299 340 H C 1.821 177.144 175.328 -0.009 0.000 1.092 340 H CA 1.662 57.700 56.048 -0.016 0.000 1.302 340 H CB -0.101 29.647 29.762 -0.023 0.000 1.373 340 H HN -0.029 nan 8.280 nan 0.000 0.497 341 V N 0.904 120.800 119.914 -0.029 0.000 2.255 341 V HA -0.204 3.916 4.120 -0.001 0.000 0.243 341 V C 2.337 178.393 176.094 -0.064 0.000 1.038 341 V CA 2.134 64.379 62.300 -0.091 0.000 1.008 341 V CB -0.391 31.407 31.823 -0.042 0.000 0.645 341 V HN 0.426 nan 8.190 nan 0.000 0.449 342 K N -0.079 120.304 120.400 -0.028 0.000 2.160 342 K HA -0.222 4.097 4.320 -0.001 0.000 0.206 342 K C 2.451 179.042 176.600 -0.016 0.000 1.047 342 K CA 1.722 57.999 56.287 -0.017 0.000 0.930 342 K CB -0.422 32.074 32.500 -0.007 0.000 0.720 342 K HN 0.355 nan 8.250 nan 0.000 0.450 343 S N 0.575 116.261 115.700 -0.024 0.000 2.351 343 S HA -0.191 4.278 4.470 -0.001 0.000 0.220 343 S C 2.099 176.687 174.600 -0.020 0.000 1.035 343 S CA 1.447 59.636 58.200 -0.020 0.000 1.031 343 S CB -0.226 62.960 63.200 -0.023 0.000 0.928 343 S HN 0.458 nan 8.310 nan 0.000 0.433 344 A N 1.017 123.799 122.820 -0.064 0.000 1.902 344 A HA -0.048 4.272 4.320 -0.001 0.000 0.217 344 A C 2.122 179.751 177.584 0.075 0.000 1.181 344 A CA 1.679 53.713 52.037 -0.004 0.000 0.623 344 A CB -0.788 18.159 19.000 -0.088 0.000 0.818 344 A HN 0.532 nan 8.150 nan 0.000 0.443 345 L N -0.184 121.054 121.223 0.025 0.000 2.027 345 L HA -0.000 4.339 4.340 -0.001 0.000 0.206 345 L C 2.604 179.501 176.870 0.044 0.000 1.074 345 L CA 2.295 57.156 54.840 0.034 0.000 0.745 345 L CB -0.962 41.105 42.059 0.012 0.000 0.898 345 L HN 0.312 nan 8.230 nan 0.000 0.433 346 A N -0.843 121.998 122.820 0.034 0.000 2.019 346 A HA -0.180 4.140 4.320 -0.001 0.000 0.219 346 A C 2.280 179.893 177.584 0.047 0.000 1.164 346 A CA 1.615 53.675 52.037 0.038 0.000 0.644 346 A CB -1.095 17.917 19.000 0.020 0.000 0.805 346 A HN 0.680 nan 8.150 nan 0.000 0.449 347 S N -0.903 114.834 115.700 0.061 0.000 2.720 347 S HA 0.175 4.645 4.470 -0.001 0.000 0.222 347 S C 0.966 175.600 174.600 0.057 0.000 0.958 347 S CA 0.941 59.184 58.200 0.071 0.000 0.943 347 S CB -0.322 62.944 63.200 0.111 0.000 0.779 347 S HN 1.332 nan 8.310 nan 0.000 0.526 348 V N -3.767 116.172 119.914 0.042 0.000 3.195 348 V HA 0.359 4.479 4.120 -0.001 0.000 0.256 348 V C 1.444 177.552 176.094 0.024 0.000 1.735 348 V CA 0.124 62.432 62.300 0.013 0.000 1.017 348 V CB -0.978 30.827 31.823 -0.029 0.000 0.897 348 V HN 0.319 nan 8.190 nan 0.000 0.387 349 I N 0.598 121.193 120.570 0.041 0.000 2.229 349 I HA -0.245 3.925 4.170 -0.001 0.000 0.250 349 I C 2.292 178.434 176.117 0.042 0.000 1.096 349 I CA 2.222 63.551 61.300 0.049 0.000 1.358 349 I CB 0.122 38.159 38.000 0.063 0.000 1.047 349 I HN 0.315 nan 8.210 nan 0.000 0.422 350 M N 0.096 119.720 119.600 0.040 0.000 2.619 350 M HA 0.032 4.512 4.480 -0.001 0.000 0.251 350 M C 1.977 178.268 176.300 -0.014 0.000 1.106 350 M CA 0.774 56.079 55.300 0.008 0.000 1.086 350 M CB -1.402 31.201 32.600 0.004 0.000 1.465 350 M HN 0.293 nan 8.290 nan 0.000 0.506 351 G N -0.409 108.389 108.800 -0.003 0.000 2.776 351 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.209 351 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.209 351 G C 1.392 176.284 174.900 -0.013 0.000 1.145 351 G CA 0.087 45.179 45.100 -0.013 0.000 0.791 351 G HN 0.429 nan 8.290 nan 0.000 0.530 352 L N 0.424 121.644 121.223 -0.005 0.000 2.591 352 L HA 0.106 4.446 4.340 -0.001 0.000 0.228 352 L C 2.585 179.448 176.870 -0.012 0.000 1.133 352 L CA -0.151 54.688 54.840 -0.001 0.000 0.880 352 L CB 0.103 42.173 42.059 0.018 0.000 1.033 352 L HN 0.119 nan 8.230 nan 0.000 0.450 353 S N 1.218 116.902 115.700 -0.027 0.000 2.345 353 S HA -0.047 4.423 4.470 -0.001 0.000 0.220 353 S C -0.619 173.960 174.600 -0.034 0.000 1.031 353 S CA 1.235 59.412 58.200 -0.039 0.000 0.996 353 S CB -0.913 62.246 63.200 -0.068 0.000 0.882 353 S HN 0.354 nan 8.310 nan 0.000 0.445 354 P HA 0.087 nan 4.420 nan 0.000 0.239 354 P C 0.478 177.761 177.300 -0.028 0.000 1.184 354 P CA 0.863 63.943 63.100 -0.032 0.000 0.760 354 P CB -0.322 31.358 31.700 -0.033 0.000 0.884 355 I N -2.206 118.349 120.570 -0.025 0.000 4.082 355 I HA 0.145 4.315 4.170 -0.001 0.000 0.337 355 I C 1.791 177.897 176.117 -0.018 0.000 1.352 355 I CA 0.125 61.410 61.300 -0.025 0.000 1.097 355 I CB 0.210 38.194 38.000 -0.028 0.000 1.048 355 I HN -0.149 nan 8.210 nan 0.000 0.393 356 L N 0.336 121.553 121.223 -0.011 0.000 2.948 356 L HA 0.474 4.813 4.340 -0.001 0.000 0.259 356 L C 0.824 177.695 176.870 0.003 0.000 1.136 356 L CA 0.050 54.891 54.840 0.002 0.000 0.959 356 L CB 0.654 42.724 42.059 0.018 0.000 1.370 356 L HN 0.311 nan 8.230 nan 0.000 0.552 357 G N 1.583 110.378 108.800 -0.009 0.000 2.733 357 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.686 357 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.686 357 G C 0.447 175.337 174.900 -0.017 0.000 1.373 357 G CA 0.178 45.270 45.100 -0.014 0.000 0.838 357 G HN 0.198 nan 8.290 nan 0.000 0.588 358 K N 0.080 120.464 120.400 -0.026 0.000 2.044 358 K HA -0.289 4.031 4.320 -0.001 0.000 0.224 358 K C 1.807 178.390 176.600 -0.029 0.000 1.056 358 K CA 2.730 58.997 56.287 -0.034 0.000 0.962 358 K CB -0.420 32.061 32.500 -0.033 0.000 0.730 358 K HN 0.626 nan 8.250 nan 0.000 0.453 359 D N 0.254 120.642 120.400 -0.019 0.000 2.104 359 D HA -0.166 4.474 4.640 -0.001 0.000 0.194 359 D C 1.921 178.216 176.300 -0.008 0.000 0.994 359 D CA 1.101 55.091 54.000 -0.017 0.000 0.830 359 D CB -0.420 40.375 40.800 -0.008 0.000 0.959 359 D HN 0.365 nan 8.370 nan 0.000 0.452 360 N N 0.416 119.132 118.700 0.028 0.000 2.084 360 N HA -0.098 4.642 4.740 -0.001 0.000 0.190 360 N C 1.925 177.477 175.510 0.071 0.000 1.030 360 N CA 1.085 54.194 53.050 0.098 0.000 0.849 360 N CB -0.557 37.993 38.487 0.107 0.000 1.012 360 N HN 0.151 nan 8.380 nan 0.000 0.423 361 T N 2.315 116.880 114.554 0.020 0.000 2.607 361 T HA -0.090 4.260 4.350 -0.001 0.000 0.267 361 T C 2.131 176.812 174.700 -0.032 0.000 1.049 361 T CA 1.040 63.134 62.100 -0.010 0.000 1.162 361 T CB -0.359 68.478 68.868 -0.052 0.000 0.863 361 T HN 0.199 nan 8.240 nan 0.000 0.424 362 I N 0.698 121.238 120.570 -0.050 0.000 2.194 362 I HA -0.202 3.968 4.170 -0.001 0.000 0.246 362 I C 2.750 178.821 176.117 -0.078 0.000 1.093 362 I CA 1.604 62.867 61.300 -0.061 0.000 1.355 362 I CB -0.333 37.633 38.000 -0.056 0.000 1.046 362 I HN 0.365 nan 8.210 nan 0.000 0.413 363 E N -0.463 119.655 120.200 -0.136 0.000 2.190 363 E HA -0.137 4.213 4.350 -0.001 0.000 0.191 363 E C 2.001 178.391 176.600 -0.349 0.000 0.978 363 E CA 0.641 56.875 56.400 -0.276 0.000 0.839 363 E CB 0.243 29.683 29.700 -0.433 0.000 0.787 363 E HN 0.558 nan 8.360 nan 0.000 0.473 364 H N -0.644 118.431 119.070 0.009 0.000 2.545 364 H HA 0.140 4.696 4.556 -0.001 0.000 0.283 364 H C 2.100 177.444 175.328 0.025 0.000 0.997 364 H CA 0.331 56.389 56.048 0.017 0.000 1.269 364 H CB 0.510 30.280 29.762 0.014 0.000 1.451 364 H HN 0.166 nan 8.280 nan 0.000 0.508 365 L N 0.068 121.365 121.223 0.124 0.000 2.145 365 L HA -0.067 4.272 4.340 -0.001 0.000 0.201 365 L C 2.205 179.134 176.870 0.098 0.000 1.075 365 L CA 0.235 55.128 54.840 0.090 0.000 0.773 365 L CB -0.202 41.883 42.059 0.042 0.000 0.936 365 L HN 0.085 nan 8.230 nan 0.000 0.451 366 L N 0.573 121.830 121.223 0.058 0.000 2.089 366 L HA -0.179 4.161 4.340 -0.001 0.000 0.213 366 L C -0.386 176.616 176.870 0.220 0.000 1.079 366 L CA 2.302 57.216 54.840 0.124 0.000 0.758 366 L CB -1.636 40.453 42.059 0.049 0.000 0.891 366 L HN 0.113 nan 8.230 nan 0.000 0.433 367 P HA -0.114 nan 4.420 nan 0.000 0.216 367 P C 1.984 179.348 177.300 0.108 0.000 1.153 367 P CA 1.140 64.302 63.100 0.105 0.000 0.844 367 P CB 0.070 31.812 31.700 0.071 0.000 0.787 368 L N -2.470 118.826 121.223 0.121 0.000 2.156 368 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 368 L C 2.340 179.290 176.870 0.133 0.000 1.095 368 L CA 1.072 55.974 54.840 0.102 0.000 0.770 368 L CB -0.992 41.124 42.059 0.096 0.000 0.914 368 L HN -0.028 nan 8.230 nan 0.000 0.439 369 F N 1.263 121.219 119.950 0.009 0.000 2.171 369 F HA -0.197 4.330 4.527 -0.001 0.000 0.300 369 F C 2.056 177.856 175.800 0.001 0.000 1.090 369 F CA 1.533 59.534 58.000 0.001 0.000 1.293 369 F CB -0.172 38.827 39.000 -0.001 0.000 1.013 369 F HN -0.113 nan 8.300 nan 0.000 0.486 370 L N -0.197 120.990 121.223 -0.060 0.000 2.131 370 L HA -0.009 4.331 4.340 -0.001 0.000 0.206 370 L C 2.820 179.621 176.870 -0.115 0.000 1.087 370 L CA 0.873 55.601 54.840 -0.185 0.000 0.767 370 L CB -1.147 40.887 42.059 -0.041 0.000 0.917 370 L HN 0.199 nan 8.230 nan 0.000 0.441 371 A N -0.298 122.499 122.820 -0.038 0.000 1.986 371 A HA -0.261 4.059 4.320 -0.001 0.000 0.220 371 A C 2.182 179.740 177.584 -0.043 0.000 1.171 371 A CA 1.758 53.779 52.037 -0.025 0.000 0.640 371 A CB -0.351 18.652 19.000 0.004 0.000 0.811 371 A HN 0.533 nan 8.150 nan 0.000 0.451 372 Q N -1.831 117.932 119.800 -0.063 0.000 2.339 372 Q HA 0.176 4.516 4.340 -0.001 0.000 0.205 372 Q C 1.545 177.478 176.000 -0.112 0.000 0.925 372 Q CA 0.269 56.033 55.803 -0.065 0.000 0.898 372 Q CB 0.012 28.729 28.738 -0.036 0.000 1.013 372 Q HN 0.497 nan 8.270 nan 0.000 0.504 373 L N 0.760 121.861 121.223 -0.203 0.000 2.622 373 L HA -0.048 4.291 4.340 -0.001 0.000 0.233 373 L C 0.342 177.136 176.870 -0.127 0.000 1.156 373 L CA 1.518 56.210 54.840 -0.247 0.000 0.866 373 L CB 0.273 42.053 42.059 -0.466 0.000 0.980 373 L HN -0.079 nan 8.230 nan 0.000 0.448 374 K N -0.889 119.458 120.400 -0.088 0.000 2.972 374 K HA 0.187 4.507 4.320 -0.001 0.000 0.209 374 K C -0.550 176.034 176.600 -0.027 0.000 1.128 374 K CA -0.202 56.061 56.287 -0.040 0.000 1.024 374 K CB 0.661 33.139 32.500 -0.037 0.000 0.754 374 K HN 0.064 nan 8.250 nan 0.000 0.454 375 D N 0.573 120.956 120.400 -0.028 0.000 2.388 375 D HA 0.058 4.698 4.640 -0.001 0.000 0.254 375 D C 1.130 177.425 176.300 -0.008 0.000 1.111 375 D CA -0.195 53.794 54.000 -0.018 0.000 0.993 375 D CB 1.147 41.935 40.800 -0.020 0.000 1.118 375 D HN -0.124 nan 8.370 nan 0.000 0.502 376 E N 0.400 120.595 120.200 -0.008 0.000 1.993 376 E HA -0.114 4.236 4.350 -0.001 0.000 0.198 376 E C 0.390 176.988 176.600 -0.003 0.000 0.999 376 E CA 0.431 56.826 56.400 -0.007 0.000 0.850 376 E CB -0.750 28.945 29.700 -0.009 0.000 0.796 376 E HN 0.505 nan 8.360 nan 0.000 0.482 377 C N 3.242 122.541 119.300 -0.001 0.000 2.106 377 C HA -0.077 4.383 4.460 -0.001 0.000 0.402 377 C C -1.275 173.722 174.990 0.012 0.000 1.548 377 C CA -0.931 58.089 59.018 0.004 0.000 1.432 377 C CB -0.206 27.537 27.740 0.006 0.000 2.584 377 C HN 0.219 nan 8.230 nan 0.000 0.604 378 P HA -0.073 nan 4.420 nan 0.000 0.221 378 P C 1.332 178.660 177.300 0.047 0.000 1.150 378 P CA 1.190 64.319 63.100 0.047 0.000 0.800 378 P CB 0.027 31.752 31.700 0.042 0.000 0.787 379 E N -0.454 119.764 120.200 0.029 0.000 2.110 379 E HA -0.093 4.257 4.350 -0.001 0.000 0.193 379 E C 2.054 178.660 176.600 0.011 0.000 0.988 379 E CA 0.976 57.391 56.400 0.025 0.000 0.804 379 E CB -1.070 28.644 29.700 0.023 0.000 0.745 379 E HN 0.150 nan 8.360 nan 0.000 0.458 380 V N 2.499 122.416 119.914 0.005 0.000 2.261 380 V HA -0.272 3.848 4.120 -0.001 0.000 0.246 380 V C 2.647 178.721 176.094 -0.033 0.000 1.047 380 V CA 2.358 64.653 62.300 -0.008 0.000 1.015 380 V CB -0.665 31.153 31.823 -0.008 0.000 0.642 380 V HN 0.324 nan 8.190 nan 0.000 0.446 381 R N 0.035 120.509 120.500 -0.042 0.000 2.148 381 R HA -0.109 4.230 4.340 -0.001 0.000 0.227 381 R C 2.122 178.303 176.300 -0.198 0.000 1.103 381 R CA 1.300 57.333 56.100 -0.112 0.000 0.983 381 R CB -0.553 29.699 30.300 -0.080 0.000 0.874 381 R HN 0.383 nan 8.270 nan 0.000 0.451 382 L N 1.985 123.140 121.223 -0.114 0.000 2.109 382 L HA -0.029 4.311 4.340 -0.001 0.000 0.207 382 L C 1.466 178.292 176.870 -0.074 0.000 1.086 382 L CA 1.568 56.341 54.840 -0.111 0.000 0.760 382 L CB -0.750 41.322 42.059 0.022 0.000 0.910 382 L HN 0.195 nan 8.230 nan 0.000 0.437 383 N N -0.453 118.226 118.700 -0.035 0.000 2.188 383 N HA -0.115 4.624 4.740 -0.001 0.000 0.184 383 N C 1.796 177.304 175.510 -0.004 0.000 1.018 383 N CA 1.142 54.188 53.050 -0.006 0.000 0.858 383 N CB -0.054 38.441 38.487 0.013 0.000 0.989 383 N HN 0.251 nan 8.380 nan 0.000 0.426 384 I N 1.201 121.756 120.570 -0.025 0.000 2.252 384 I HA -0.143 4.026 4.170 -0.001 0.000 0.245 384 I C 1.995 178.124 176.117 0.021 0.000 1.102 384 I CA 0.726 62.038 61.300 0.020 0.000 1.385 384 I CB -0.699 37.284 38.000 -0.028 0.000 1.064 384 I HN 0.025 nan 8.210 nan 0.000 0.414 385 I N 0.486 120.996 120.570 -0.100 0.000 2.315 385 I HA -0.186 3.983 4.170 -0.001 0.000 0.248 385 I C 2.487 178.586 176.117 -0.029 0.000 1.117 385 I CA 1.152 62.384 61.300 -0.113 0.000 1.404 385 I CB -1.259 36.524 38.000 -0.361 0.000 1.071 385 I HN 0.122 nan 8.210 nan 0.000 0.419 386 S N 1.014 116.699 115.700 -0.025 0.000 2.507 386 S HA -0.002 4.467 4.470 -0.001 0.000 0.235 386 S C 0.832 175.443 174.600 0.017 0.000 0.988 386 S CA 0.567 58.770 58.200 0.005 0.000 0.944 386 S CB -0.234 62.971 63.200 0.008 0.000 0.762 386 S HN 0.452 nan 8.310 nan 0.000 0.526 387 N N 1.095 119.810 118.700 0.025 0.000 2.757 387 N HA 0.299 5.039 4.740 -0.001 0.000 0.296 387 N C -0.171 175.353 175.510 0.024 0.000 1.874 387 N CA -0.006 53.058 53.050 0.023 0.000 0.885 387 N CB 0.968 39.469 38.487 0.025 0.000 1.242 387 N HN 0.260 nan 8.380 nan 0.000 0.488 388 L N -0.677 120.558 121.223 0.020 0.000 2.513 388 L HA 0.117 4.456 4.340 -0.001 0.000 0.222 388 L C 1.697 178.542 176.870 -0.041 0.000 1.096 388 L CA 0.140 54.979 54.840 -0.003 0.000 0.857 388 L CB 0.201 42.278 42.059 0.029 0.000 1.026 388 L HN 0.072 nan 8.230 nan 0.000 0.469 389 D N 0.020 120.405 120.400 -0.024 0.000 2.133 389 D HA -0.272 4.368 4.640 -0.001 0.000 0.192 389 D C 2.132 178.404 176.300 -0.047 0.000 1.001 389 D CA 1.568 55.549 54.000 -0.032 0.000 0.844 389 D CB -0.008 40.781 40.800 -0.017 0.000 0.944 389 D HN 0.344 nan 8.370 nan 0.000 0.447 390 C N 0.069 119.342 119.300 -0.045 0.000 2.453 390 C HA -0.086 4.374 4.460 -0.001 0.000 0.277 390 C C 2.892 177.836 174.990 -0.077 0.000 1.262 390 C CA 0.548 59.535 59.018 -0.052 0.000 1.718 390 C CB -0.895 26.820 27.740 -0.041 0.000 2.031 390 C HN 0.161 nan 8.230 nan 0.000 0.480 391 V N 1.279 121.128 119.914 -0.107 0.000 2.407 391 V HA -0.226 3.894 4.120 -0.001 0.000 0.248 391 V C 2.327 178.330 176.094 -0.152 0.000 1.055 391 V CA 2.350 64.557 62.300 -0.156 0.000 1.049 391 V CB -1.130 30.532 31.823 -0.269 0.000 0.662 391 V HN 0.668 nan 8.190 nan 0.000 0.455 392 N N 0.285 118.902 118.700 -0.138 0.000 2.244 392 N HA -0.191 4.549 4.740 -0.001 0.000 0.183 392 N C 1.694 177.145 175.510 -0.100 0.000 1.016 392 N CA 1.232 54.203 53.050 -0.133 0.000 0.866 392 N CB 0.063 38.474 38.487 -0.127 0.000 0.980 392 N HN 0.631 nan 8.380 nan 0.000 0.430 393 E N -0.295 119.858 120.200 -0.078 0.000 2.481 393 E HA -0.027 4.323 4.350 -0.001 0.000 0.195 393 E C 1.508 178.074 176.600 -0.057 0.000 1.047 393 E CA 0.118 56.482 56.400 -0.059 0.000 0.867 393 E CB 0.598 30.270 29.700 -0.045 0.000 0.858 393 E HN 0.233 nan 8.360 nan 0.000 0.513 394 V N 1.383 121.256 119.914 -0.069 0.000 2.602 394 V HA 0.056 4.175 4.120 -0.001 0.000 0.235 394 V C 1.285 177.340 176.094 -0.065 0.000 1.087 394 V CA 0.439 62.702 62.300 -0.062 0.000 1.117 394 V CB -0.044 31.741 31.823 -0.065 0.000 0.820 394 V HN 0.205 nan 8.190 nan 0.000 0.490 395 I N -0.382 120.137 120.570 -0.085 0.000 3.110 395 I HA 0.719 4.889 4.170 -0.001 0.000 0.314 395 I C 0.667 176.735 176.117 -0.082 0.000 1.020 395 I CA -0.373 60.878 61.300 -0.081 0.000 1.169 395 I CB 0.614 38.554 38.000 -0.099 0.000 1.437 395 I HN 0.184 nan 8.210 nan 0.000 0.595 396 G N 0.869 109.627 108.800 -0.070 0.000 2.539 396 G HA2 0.262 4.222 3.960 -0.001 0.000 0.258 396 G HA3 0.262 4.222 3.960 -0.001 0.000 0.258 396 G C 0.373 175.216 174.900 -0.094 0.000 1.202 396 G CA -0.478 44.582 45.100 -0.067 0.000 0.851 396 G HN 0.803 nan 8.290 nan 0.000 0.556 397 I N 0.436 120.945 120.570 -0.102 0.000 2.454 397 I HA -0.157 4.013 4.170 -0.001 0.000 0.254 397 I C 2.690 178.726 176.117 -0.134 0.000 1.156 397 I CA 1.456 62.652 61.300 -0.173 0.000 1.433 397 I CB -0.149 37.752 38.000 -0.164 0.000 1.082 397 I HN 0.714 nan 8.210 nan 0.000 0.432 398 R N -0.627 119.842 120.500 -0.052 0.000 2.119 398 R HA -0.011 4.328 4.340 -0.001 0.000 0.222 398 R C 1.936 178.229 176.300 -0.011 0.000 1.088 398 R CA 0.712 56.810 56.100 -0.003 0.000 0.984 398 R CB -0.853 29.456 30.300 0.014 0.000 0.884 398 R HN 0.304 nan 8.270 nan 0.000 0.447 399 Q N 0.831 120.609 119.800 -0.036 0.000 2.172 399 Q HA -0.052 4.288 4.340 -0.001 0.000 0.200 399 Q C 2.008 177.981 176.000 -0.044 0.000 0.964 399 Q CA 0.970 56.751 55.803 -0.036 0.000 0.855 399 Q CB -0.083 28.625 28.738 -0.051 0.000 0.918 399 Q HN 0.319 nan 8.270 nan 0.000 0.444 400 L N 0.032 121.205 121.223 -0.083 0.000 2.049 400 L HA -0.023 4.317 4.340 -0.001 0.000 0.203 400 L C 2.362 179.223 176.870 -0.015 0.000 1.074 400 L CA 1.791 56.570 54.840 -0.101 0.000 0.749 400 L CB -1.010 40.941 42.059 -0.180 0.000 0.907 400 L HN 0.043 nan 8.230 nan 0.000 0.439 401 S N -0.883 114.793 115.700 -0.040 0.000 2.374 401 S HA -0.325 4.144 4.470 -0.001 0.000 0.227 401 S C 2.068 176.747 174.600 0.131 0.000 1.037 401 S CA 1.900 60.156 58.200 0.093 0.000 1.024 401 S CB -0.363 62.950 63.200 0.189 0.000 0.861 401 S HN 0.651 nan 8.310 nan 0.000 0.456 402 Q N -0.560 119.290 119.800 0.082 0.000 2.364 402 Q HA 0.011 4.351 4.340 -0.001 0.000 0.207 402 Q C 1.793 177.845 176.000 0.086 0.000 0.970 402 Q CA 1.137 56.984 55.803 0.074 0.000 0.888 402 Q CB -0.046 28.719 28.738 0.045 0.000 0.951 402 Q HN 0.557 nan 8.270 nan 0.000 0.469 403 S N -1.318 114.451 115.700 0.114 0.000 2.549 403 S HA 0.070 4.539 4.470 -0.001 0.000 0.225 403 S C 1.103 175.866 174.600 0.272 0.000 1.039 403 S CA -0.219 58.083 58.200 0.170 0.000 0.942 403 S CB 0.336 63.634 63.200 0.164 0.000 0.881 403 S HN 0.374 nan 8.310 nan 0.000 0.503 404 L N 0.760 122.150 121.223 0.278 0.000 2.347 404 L HA 0.486 4.826 4.340 -0.001 0.000 0.196 404 L C 1.783 178.759 176.870 0.177 0.000 1.072 404 L CA 1.057 56.066 54.840 0.282 0.000 0.817 404 L CB -0.963 41.314 42.059 0.363 0.000 1.029 404 L HN 0.272 nan 8.230 nan 0.000 0.478 405 L N 0.968 122.307 121.223 0.193 0.000 1.991 405 L HA -0.168 4.172 4.340 -0.001 0.000 0.221 405 L C -0.459 176.476 176.870 0.108 0.000 1.079 405 L CA 2.652 57.593 54.840 0.168 0.000 0.778 405 L CB -1.930 40.235 42.059 0.177 0.000 0.893 405 L HN 0.182 nan 8.230 nan 0.000 0.437 406 P HA -0.196 nan 4.420 nan 0.000 0.217 406 P C 1.477 178.811 177.300 0.057 0.000 1.148 406 P CA 1.996 65.132 63.100 0.060 0.000 0.828 406 P CB -0.171 31.561 31.700 0.053 0.000 0.783 407 A N -0.941 121.914 122.820 0.059 0.000 1.873 407 A HA -0.179 4.140 4.320 -0.001 0.000 0.215 407 A C 2.163 179.794 177.584 0.078 0.000 1.186 407 A CA 1.447 53.509 52.037 0.041 0.000 0.616 407 A CB -1.509 17.483 19.000 -0.012 0.000 0.823 407 A HN 0.096 nan 8.150 nan 0.000 0.442 408 I N -0.387 120.250 120.570 0.111 0.000 2.113 408 I HA -0.218 3.951 4.170 -0.001 0.000 0.238 408 I C 2.307 178.503 176.117 0.132 0.000 1.070 408 I CA 1.335 62.733 61.300 0.163 0.000 1.332 408 I CB -0.485 37.631 38.000 0.194 0.000 1.044 408 I HN 0.133 nan 8.210 nan 0.000 0.402 409 V N 0.741 120.704 119.914 0.083 0.000 2.546 409 V HA -0.308 3.811 4.120 -0.001 0.000 0.254 409 V C 2.384 178.509 176.094 0.052 0.000 1.076 409 V CA 2.099 64.423 62.300 0.040 0.000 1.087 409 V CB -0.792 31.035 31.823 0.007 0.000 0.674 409 V HN 0.513 nan 8.190 nan 0.000 0.470 410 E N -0.416 119.822 120.200 0.062 0.000 2.299 410 E HA -0.060 4.290 4.350 -0.001 0.000 0.193 410 E C 1.985 178.628 176.600 0.071 0.000 0.998 410 E CA 0.498 56.931 56.400 0.055 0.000 0.851 410 E CB 0.114 29.841 29.700 0.044 0.000 0.795 410 E HN 0.610 nan 8.360 nan 0.000 0.492 411 L N -0.367 120.916 121.223 0.099 0.000 2.408 411 L HA 0.230 4.570 4.340 -0.001 0.000 0.215 411 L C 2.415 179.375 176.870 0.150 0.000 1.081 411 L CA 0.499 55.402 54.840 0.105 0.000 0.840 411 L CB -0.041 42.086 42.059 0.114 0.000 1.002 411 L HN 0.093 nan 8.230 nan 0.000 0.468 412 A N 0.885 123.838 122.820 0.223 0.000 2.015 412 A HA -0.124 4.196 4.320 -0.001 0.000 0.219 412 A C 0.908 178.694 177.584 0.336 0.000 1.163 412 A CA 0.772 53.059 52.037 0.418 0.000 0.646 412 A CB -0.411 18.790 19.000 0.334 0.000 0.806 412 A HN 0.556 nan 8.150 nan 0.000 0.448 413 E N -0.519 119.784 120.200 0.171 0.000 2.176 413 E HA 0.620 4.969 4.350 -0.001 0.000 0.267 413 E C -1.138 175.517 176.600 0.092 0.000 0.893 413 E CA -0.790 55.681 56.400 0.118 0.000 0.761 413 E CB 1.472 31.208 29.700 0.061 0.000 1.133 413 E HN 0.162 nan 8.360 nan 0.000 0.409 414 D N 1.498 121.950 120.400 0.086 0.000 3.010 414 D HA 0.393 5.032 4.640 -0.001 0.000 0.353 414 D C -0.128 176.209 176.300 0.060 0.000 1.415 414 D CA 0.217 54.254 54.000 0.062 0.000 0.864 414 D CB 0.594 41.424 40.800 0.049 0.000 1.445 414 D HN 0.424 nan 8.370 nan 0.000 0.516 415 A N 0.072 122.916 122.820 0.040 0.000 2.243 415 A HA 0.242 4.562 4.320 -0.001 0.000 0.195 415 A C -0.019 177.591 177.584 0.043 0.000 1.405 415 A CA 0.961 53.020 52.037 0.038 0.000 0.651 415 A CB -0.797 18.211 19.000 0.014 0.000 1.010 415 A HN 0.410 nan 8.150 nan 0.000 0.506 416 K N 1.388 121.782 120.400 -0.009 0.000 2.484 416 K HA -0.005 4.315 4.320 -0.001 0.000 0.280 416 K C 1.024 177.585 176.600 -0.065 0.000 1.013 416 K CA 0.467 56.714 56.287 -0.067 0.000 1.029 416 K CB 0.182 32.570 32.500 -0.187 0.000 0.902 416 K HN 0.757 nan 8.250 nan 0.000 0.481 417 W N 3.964 125.256 121.300 -0.013 0.000 2.392 417 W HA -0.203 4.456 4.660 -0.001 0.000 0.279 417 W C 0.636 177.109 176.519 -0.076 0.000 1.225 417 W CA 0.484 57.805 57.345 -0.039 0.000 1.233 417 W CB -0.427 29.017 29.460 -0.026 0.000 1.122 417 W HN 0.423 nan 8.180 nan 0.000 0.561 418 R N 1.251 121.207 120.500 -0.907 0.000 2.103 418 R HA -0.152 4.188 4.340 -0.001 0.000 0.242 418 R C 2.275 178.344 176.300 -0.386 0.000 1.142 418 R CA 1.880 57.459 56.100 -0.867 0.000 0.960 418 R CB -1.359 28.459 30.300 -0.803 0.000 0.858 418 R HN 0.269 nan 8.270 nan 0.000 0.439 419 V N 1.307 121.066 119.914 -0.258 0.000 2.453 419 V HA -0.161 3.958 4.120 -0.001 0.000 0.247 419 V C 2.534 178.542 176.094 -0.144 0.000 1.048 419 V CA 1.410 63.614 62.300 -0.161 0.000 1.049 419 V CB -0.453 31.313 31.823 -0.095 0.000 0.672 419 V HN 0.287 nan 8.190 nan 0.000 0.457 420 R N -0.214 120.224 120.500 -0.103 0.000 2.081 420 R HA -0.164 4.176 4.340 -0.001 0.000 0.235 420 R C 2.269 178.394 176.300 -0.293 0.000 1.131 420 R CA 1.533 57.567 56.100 -0.110 0.000 0.960 420 R CB -0.755 29.534 30.300 -0.019 0.000 0.856 420 R HN 0.389 nan 8.270 nan 0.000 0.436 421 L N 1.149 122.237 121.223 -0.225 0.000 2.127 421 L HA -0.119 4.221 4.340 -0.001 0.000 0.211 421 L C 2.218 178.897 176.870 -0.318 0.000 1.089 421 L CA 1.859 56.549 54.840 -0.250 0.000 0.757 421 L CB -0.681 41.337 42.059 -0.069 0.000 0.899 421 L HN 0.124 nan 8.230 nan 0.000 0.434 422 A N -0.317 122.320 122.820 -0.305 0.000 1.898 422 A HA -0.127 4.192 4.320 -0.001 0.000 0.216 422 A C 2.036 179.199 177.584 -0.702 0.000 1.181 422 A CA 1.736 53.555 52.037 -0.364 0.000 0.620 422 A CB -0.699 18.150 19.000 -0.252 0.000 0.819 422 A HN 0.437 nan 8.150 nan 0.000 0.442 423 I N 0.169 120.372 120.570 -0.611 0.000 2.614 423 I HA -0.144 4.026 4.170 -0.001 0.000 0.258 423 I C 2.092 177.936 176.117 -0.454 0.000 1.189 423 I CA 0.758 61.659 61.300 -0.665 0.000 1.462 423 I CB -1.269 36.667 38.000 -0.107 0.000 1.092 423 I HN 0.317 nan 8.210 nan 0.000 0.442 424 I N 0.930 121.181 120.570 -0.533 0.000 2.546 424 I HA -0.195 3.974 4.170 -0.001 0.000 0.255 424 I C 2.295 178.321 176.117 -0.152 0.000 1.163 424 I CA 0.804 61.840 61.300 -0.440 0.000 1.457 424 I CB -0.240 37.375 38.000 -0.643 0.000 1.092 424 I HN 0.192 nan 8.210 nan 0.000 0.434 425 E N 0.568 120.641 120.200 -0.212 0.000 2.150 425 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 425 E C 2.011 178.704 176.600 0.155 0.000 0.985 425 E CA 1.237 57.614 56.400 -0.038 0.000 0.814 425 E CB -0.593 29.087 29.700 -0.034 0.000 0.752 425 E HN 0.499 nan 8.360 nan 0.000 0.466 426 Y N 0.525 120.869 120.300 0.073 0.000 2.403 426 Y HA -0.099 4.451 4.550 -0.001 0.000 0.291 426 Y C 2.264 178.254 175.900 0.150 0.000 1.143 426 Y CA 0.295 58.458 58.100 0.106 0.000 1.257 426 Y CB -0.837 37.698 38.460 0.125 0.000 0.984 426 Y HN -0.015 nan 8.280 nan 0.000 0.550 427 M N 0.751 120.548 119.600 0.330 0.000 2.115 427 M HA -0.158 4.321 4.480 -0.001 0.000 0.258 427 M C -0.470 175.949 176.300 0.199 0.000 1.071 427 M CA 2.112 57.617 55.300 0.341 0.000 1.100 427 M CB -1.816 31.026 32.600 0.404 0.000 1.292 427 M HN -0.029 nan 8.290 nan 0.000 0.415 428 P HA -0.176 nan 4.420 nan 0.000 0.217 428 P C 1.710 178.982 177.300 -0.047 0.000 1.148 428 P CA 1.550 64.614 63.100 -0.060 0.000 0.828 428 P CB -0.303 31.364 31.700 -0.055 0.000 0.783 429 L N -1.091 120.165 121.223 0.054 0.000 1.988 429 L HA -0.117 4.223 4.340 -0.001 0.000 0.207 429 L C 2.900 179.824 176.870 0.090 0.000 1.071 429 L CA 1.257 56.133 54.840 0.060 0.000 0.744 429 L CB -1.137 40.980 42.059 0.096 0.000 0.893 429 L HN -0.104 nan 8.230 nan 0.000 0.433 430 L N -0.205 121.124 121.223 0.177 0.000 2.079 430 L HA -0.245 4.095 4.340 -0.001 0.000 0.210 430 L C 2.874 179.905 176.870 0.268 0.000 1.081 430 L CA 1.202 56.191 54.840 0.248 0.000 0.752 430 L CB -0.771 41.505 42.059 0.361 0.000 0.896 430 L HN 0.282 nan 8.230 nan 0.000 0.433 431 A N 0.512 123.449 122.820 0.194 0.000 1.834 431 A HA -0.172 4.148 4.320 -0.001 0.000 0.216 431 A C 2.386 179.994 177.584 0.040 0.000 1.203 431 A CA 1.853 53.960 52.037 0.116 0.000 0.621 431 A CB -1.536 17.174 19.000 -0.482 0.000 0.841 431 A HN 0.423 nan 8.150 nan 0.000 0.446 432 G N -1.582 107.124 108.800 -0.157 0.000 2.501 432 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.220 432 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.220 432 G C 1.558 176.457 174.900 -0.000 0.000 1.114 432 G CA 1.143 46.171 45.100 -0.120 0.000 0.757 432 G HN 0.652 nan 8.290 nan 0.000 0.559 433 Q N -0.937 118.892 119.800 0.049 0.000 2.263 433 Q HA 0.262 4.602 4.340 -0.001 0.000 0.196 433 Q C 2.467 178.508 176.000 0.069 0.000 0.965 433 Q CA 0.077 55.912 55.803 0.053 0.000 0.851 433 Q CB -0.027 28.741 28.738 0.049 0.000 0.948 433 Q HN 0.412 nan 8.270 nan 0.000 0.516 434 L N 0.288 121.581 121.223 0.118 0.000 2.552 434 L HA 0.138 4.478 4.340 -0.001 0.000 0.227 434 L C 0.788 177.757 176.870 0.165 0.000 1.146 434 L CA 0.366 55.253 54.840 0.078 0.000 0.858 434 L CB -0.430 41.654 42.059 0.042 0.000 0.969 434 L HN 0.310 nan 8.230 nan 0.000 0.451 435 G N -0.716 108.220 108.800 0.227 0.000 2.629 435 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.686 435 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.686 435 G C -0.003 175.045 174.900 0.247 0.000 1.232 435 G CA -0.409 44.821 45.100 0.217 0.000 0.803 435 G HN -0.256 nan 8.290 nan 0.000 0.638 436 V N 0.678 120.604 119.914 0.019 0.000 2.719 436 V HA -0.009 4.110 4.120 -0.001 0.000 0.252 436 V C 2.569 178.541 176.094 -0.204 0.000 1.065 436 V CA 2.807 64.783 62.300 -0.539 0.000 1.086 436 V CB -0.374 30.886 31.823 -0.939 0.000 0.700 436 V HN 0.862 nan 8.190 nan 0.000 0.467 437 E N -0.782 119.406 120.200 -0.020 0.000 2.152 437 E HA -0.245 4.104 4.350 -0.001 0.000 0.192 437 E C 2.174 178.836 176.600 0.103 0.000 0.983 437 E CA 1.482 57.905 56.400 0.039 0.000 0.818 437 E CB -0.562 29.170 29.700 0.054 0.000 0.758 437 E HN 0.621 nan 8.360 nan 0.000 0.467 438 F N 1.252 121.225 119.950 0.038 0.000 2.234 438 F HA 0.013 4.539 4.527 -0.001 0.000 0.296 438 F C 1.970 177.816 175.800 0.076 0.000 1.089 438 F CA 0.582 58.615 58.000 0.056 0.000 1.343 438 F CB -0.250 38.797 39.000 0.077 0.000 1.040 438 F HN -0.032 nan 8.300 nan 0.000 0.498 439 F N 1.281 121.198 119.950 -0.055 0.000 2.171 439 F HA -0.166 4.361 4.527 -0.001 0.000 0.300 439 F C 1.983 177.724 175.800 -0.099 0.000 1.090 439 F CA 1.895 59.847 58.000 -0.079 0.000 1.293 439 F CB -0.515 38.549 39.000 0.106 0.000 1.013 439 F HN -0.099 nan 8.300 nan 0.000 0.486 440 D N -0.168 120.235 120.400 0.007 0.000 2.269 440 D HA -0.140 4.499 4.640 -0.001 0.000 0.208 440 D C 1.989 178.196 176.300 -0.156 0.000 0.963 440 D CA 1.011 55.008 54.000 -0.005 0.000 0.864 440 D CB -0.221 40.645 40.800 0.110 0.000 0.936 440 D HN 0.554 nan 8.370 nan 0.000 0.505 441 E N -0.287 119.779 120.200 -0.222 0.000 2.431 441 E HA -0.017 4.333 4.350 -0.001 0.000 0.200 441 E C 1.066 177.470 176.600 -0.327 0.000 0.995 441 E CA 0.343 56.611 56.400 -0.220 0.000 0.915 441 E CB 0.405 30.026 29.700 -0.133 0.000 0.930 441 E HN -0.086 nan 8.360 nan 0.000 0.496 442 K N -0.525 119.551 120.400 -0.541 0.000 2.544 442 K HA 0.124 4.444 4.320 -0.001 0.000 0.213 442 K C 1.267 177.552 176.600 -0.524 0.000 1.392 442 K CA -0.003 55.962 56.287 -0.537 0.000 0.980 442 K CB 0.641 32.694 32.500 -0.745 0.000 1.177 442 K HN 0.061 nan 8.250 nan 0.000 0.570 443 L N 1.064 121.868 121.223 -0.699 0.000 2.467 443 L HA 0.191 4.530 4.340 -0.001 0.000 0.213 443 L C 1.923 178.311 176.870 -0.803 0.000 1.053 443 L CA 1.006 55.422 54.840 -0.705 0.000 0.847 443 L CB -1.005 40.624 42.059 -0.717 0.000 1.075 443 L HN 0.092 nan 8.230 nan 0.000 0.479 444 N N 0.174 118.296 118.700 -0.964 0.000 2.060 444 N HA -0.270 4.469 4.740 -0.001 0.000 0.195 444 N C 2.043 177.371 175.510 -0.303 0.000 1.028 444 N CA 2.048 54.791 53.050 -0.511 0.000 0.861 444 N CB 0.047 38.393 38.487 -0.236 0.000 1.029 444 N HN 0.413 nan 8.380 nan 0.000 0.428 445 S N -0.064 115.449 115.700 -0.312 0.000 2.359 445 S HA -0.193 4.277 4.470 -0.001 0.000 0.223 445 S C 1.955 176.355 174.600 -0.333 0.000 1.039 445 S CA 1.338 59.380 58.200 -0.263 0.000 1.042 445 S CB -0.915 62.141 63.200 -0.239 0.000 0.915 445 S HN 0.233 nan 8.310 nan 0.000 0.439 446 L N 1.578 122.539 121.223 -0.438 0.000 2.043 446 L HA -0.086 4.253 4.340 -0.001 0.000 0.212 446 L C 2.893 179.218 176.870 -0.908 0.000 1.075 446 L CA 1.128 55.548 54.840 -0.701 0.000 0.752 446 L CB -1.352 40.275 42.059 -0.720 0.000 0.891 446 L HN 0.519 nan 8.230 nan 0.000 0.432 447 C N -1.588 117.426 119.300 -0.476 0.000 2.446 447 C HA -0.083 4.377 4.460 -0.001 0.000 0.279 447 C C 2.750 177.742 174.990 0.004 0.000 1.366 447 C CA 0.204 59.175 59.018 -0.077 0.000 1.763 447 C CB -0.674 27.216 27.740 0.250 0.000 1.929 447 C HN 0.483 nan 8.230 nan 0.000 0.509 448 M N 1.157 120.697 119.600 -0.101 0.000 2.160 448 M HA 0.006 4.486 4.480 -0.001 0.000 0.264 448 M C 2.608 178.852 176.300 -0.093 0.000 1.073 448 M CA 1.788 57.049 55.300 -0.065 0.000 1.142 448 M CB -1.625 30.919 32.600 -0.092 0.000 1.358 448 M HN 0.361 nan 8.290 nan 0.000 0.422 449 A N -0.336 122.366 122.820 -0.197 0.000 1.978 449 A HA -0.194 4.126 4.320 -0.001 0.000 0.220 449 A C 1.869 179.409 177.584 -0.073 0.000 1.170 449 A CA 1.249 53.173 52.037 -0.188 0.000 0.636 449 A CB -1.029 17.802 19.000 -0.283 0.000 0.810 449 A HN 0.615 nan 8.150 nan 0.000 0.448 450 W N -0.203 121.065 121.300 -0.053 0.000 2.465 450 W HA 0.045 4.704 4.660 -0.000 0.000 0.268 450 W C 1.727 178.205 176.519 -0.068 0.000 1.242 450 W CA 0.329 57.642 57.345 -0.053 0.000 1.248 450 W CB -0.908 28.537 29.460 -0.026 0.000 1.118 450 W HN 0.303 nan 8.180 nan 0.000 0.587 451 L N -0.503 120.807 121.223 0.145 0.000 2.265 451 L HA -0.124 4.216 4.340 -0.001 0.000 0.215 451 L C 1.691 178.529 176.870 -0.053 0.000 1.117 451 L CA 0.714 55.582 54.840 0.048 0.000 0.782 451 L CB -0.567 41.504 42.059 0.020 0.000 0.914 451 L HN -0.283 nan 8.230 nan 0.000 0.441 452 V N -0.934 118.919 119.914 -0.100 0.000 3.085 452 V HA 0.068 4.188 4.120 -0.001 0.000 0.345 452 V C 0.246 176.275 176.094 -0.108 0.000 1.397 452 V CA -0.254 61.881 62.300 -0.275 0.000 1.165 452 V CB 0.223 31.821 31.823 -0.374 0.000 1.153 452 V HN 0.271 nan 8.190 nan 0.000 0.495 453 D N -0.866 119.531 120.400 -0.004 0.000 2.362 453 D HA -0.005 4.635 4.640 -0.001 0.000 0.238 453 D C 1.317 177.680 176.300 0.106 0.000 1.212 453 D CA 0.501 54.515 54.000 0.023 0.000 0.902 453 D CB 0.597 41.447 40.800 0.083 0.000 1.180 453 D HN 0.490 nan 8.370 nan 0.000 0.445 454 H N -0.190 118.923 119.070 0.072 0.000 2.395 454 H HA 0.079 4.635 4.556 -0.001 0.000 0.299 454 H C 0.241 175.586 175.328 0.027 0.000 1.070 454 H CA 0.006 56.094 56.048 0.067 0.000 1.356 454 H CB 0.334 30.136 29.762 0.066 0.000 1.401 454 H HN 0.048 nan 8.280 nan 0.000 0.524 455 V N 2.061 122.038 119.914 0.106 0.000 2.455 455 V HA -0.127 3.993 4.120 -0.001 0.000 0.273 455 V C 0.825 176.856 176.094 -0.106 0.000 1.045 455 V CA 0.196 62.452 62.300 -0.074 0.000 0.976 455 V CB 0.571 32.251 31.823 -0.238 0.000 0.993 455 V HN 0.363 nan 8.190 nan 0.000 0.475 456 Y N 5.674 125.859 120.300 -0.192 0.000 2.081 456 Y HA -0.310 4.240 4.550 -0.001 0.000 0.280 456 Y C 2.258 178.033 175.900 -0.208 0.000 1.163 456 Y CA 2.354 60.362 58.100 -0.154 0.000 1.135 456 Y CB -0.094 38.282 38.460 -0.140 0.000 0.970 456 Y HN 0.648 nan 8.280 nan 0.000 0.498 457 A N 0.742 123.229 122.820 -0.555 0.000 1.948 457 A HA -0.230 4.089 4.320 -0.001 0.000 0.220 457 A C 2.126 179.453 177.584 -0.428 0.000 1.177 457 A CA 2.067 53.739 52.037 -0.609 0.000 0.636 457 A CB -0.980 17.510 19.000 -0.850 0.000 0.815 457 A HN 0.580 nan 8.150 nan 0.000 0.449 458 I N -0.430 119.942 120.570 -0.330 0.000 2.252 458 I HA -0.192 3.977 4.170 -0.001 0.000 0.245 458 I C 2.580 178.576 176.117 -0.201 0.000 1.102 458 I CA 1.352 62.528 61.300 -0.206 0.000 1.385 458 I CB -1.337 36.592 38.000 -0.119 0.000 1.064 458 I HN 0.386 nan 8.210 nan 0.000 0.414 459 R N 0.539 120.923 120.500 -0.193 0.000 2.080 459 R HA -0.233 4.107 4.340 -0.001 0.000 0.236 459 R C 2.177 178.371 176.300 -0.177 0.000 1.137 459 R CA 1.752 57.779 56.100 -0.121 0.000 0.943 459 R CB -0.490 29.764 30.300 -0.077 0.000 0.846 459 R HN 0.461 nan 8.270 nan 0.000 0.431 460 E N 0.629 120.586 120.200 -0.405 0.000 2.033 460 E HA -0.244 4.106 4.350 -0.001 0.000 0.199 460 E C 2.018 178.499 176.600 -0.199 0.000 1.011 460 E CA 1.510 57.685 56.400 -0.376 0.000 0.815 460 E CB -0.102 29.223 29.700 -0.625 0.000 0.755 460 E HN 0.367 nan 8.360 nan 0.000 0.451 461 A N 1.177 123.876 122.820 -0.203 0.000 1.883 461 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 461 A C 2.441 179.970 177.584 -0.091 0.000 1.186 461 A CA 2.270 54.221 52.037 -0.144 0.000 0.624 461 A CB -1.020 17.874 19.000 -0.177 0.000 0.822 461 A HN 0.458 nan 8.150 nan 0.000 0.444 462 A N -1.276 121.501 122.820 -0.072 0.000 1.978 462 A HA -0.086 4.234 4.320 -0.001 0.000 0.220 462 A C 2.279 179.922 177.584 0.099 0.000 1.170 462 A CA 2.343 54.427 52.037 0.078 0.000 0.636 462 A CB -1.143 17.975 19.000 0.198 0.000 0.810 462 A HN 0.469 nan 8.150 nan 0.000 0.448 463 T N 0.291 114.873 114.554 0.046 0.000 2.668 463 T HA -0.135 4.215 4.350 -0.001 0.000 0.262 463 T C 2.404 177.140 174.700 0.060 0.000 1.045 463 T CA 2.052 64.192 62.100 0.066 0.000 1.152 463 T CB -0.489 68.417 68.868 0.063 0.000 0.864 463 T HN 0.808 nan 8.240 nan 0.000 0.419 464 S N 2.260 117.973 115.700 0.021 0.000 2.419 464 S HA -0.170 4.299 4.470 -0.001 0.000 0.233 464 S C 1.947 176.571 174.600 0.040 0.000 1.016 464 S CA 1.274 59.487 58.200 0.021 0.000 0.974 464 S CB -0.861 62.334 63.200 -0.009 0.000 0.786 464 S HN 0.550 nan 8.310 nan 0.000 0.492 465 N N 1.578 120.309 118.700 0.052 0.000 2.205 465 N HA -0.103 4.637 4.740 -0.001 0.000 0.186 465 N C 1.791 177.373 175.510 0.120 0.000 1.015 465 N CA 1.495 54.595 53.050 0.084 0.000 0.862 465 N CB -0.309 38.254 38.487 0.127 0.000 0.986 465 N HN 0.510 nan 8.380 nan 0.000 0.429 466 L N 1.181 122.488 121.223 0.140 0.000 2.042 466 L HA -0.183 4.156 4.340 -0.001 0.000 0.210 466 L C 2.748 179.705 176.870 0.146 0.000 1.076 466 L CA 1.263 56.207 54.840 0.173 0.000 0.749 466 L CB -0.587 41.564 42.059 0.153 0.000 0.893 466 L HN 0.233 nan 8.230 nan 0.000 0.432 467 K N 1.006 121.465 120.400 0.098 0.000 2.074 467 K HA -0.229 4.091 4.320 -0.001 0.000 0.209 467 K C 2.064 178.690 176.600 0.044 0.000 1.048 467 K CA 1.668 58.000 56.287 0.075 0.000 0.926 467 K CB 0.014 32.544 32.500 0.051 0.000 0.713 467 K HN 0.245 nan 8.250 nan 0.000 0.444 468 K N 0.375 120.788 120.400 0.021 0.000 2.283 468 K HA -0.039 4.281 4.320 -0.001 0.000 0.202 468 K C 2.044 178.578 176.600 -0.110 0.000 1.048 468 K CA 0.705 56.972 56.287 -0.034 0.000 0.948 468 K CB 0.068 32.554 32.500 -0.024 0.000 0.742 468 K HN 0.205 nan 8.250 nan 0.000 0.458 469 L N 0.183 121.367 121.223 -0.065 0.000 2.209 469 L HA -0.101 4.239 4.340 -0.001 0.000 0.207 469 L C 2.115 178.853 176.870 -0.220 0.000 1.094 469 L CA 0.517 55.219 54.840 -0.229 0.000 0.790 469 L CB -0.115 41.948 42.059 0.007 0.000 0.932 469 L HN -0.041 nan 8.230 nan 0.000 0.447 470 V N -0.183 119.787 119.914 0.093 0.000 2.427 470 V HA -0.250 3.870 4.120 -0.001 0.000 0.248 470 V C 2.234 178.333 176.094 0.010 0.000 1.051 470 V CA 1.580 63.998 62.300 0.196 0.000 1.048 470 V CB -0.437 31.529 31.823 0.238 0.000 0.666 470 V HN 0.435 nan 8.190 nan 0.000 0.456 471 E N -0.180 119.989 120.200 -0.052 0.000 2.160 471 E HA -0.272 4.077 4.350 -0.001 0.000 0.195 471 E C 2.206 178.698 176.600 -0.181 0.000 0.991 471 E CA 1.276 57.627 56.400 -0.081 0.000 0.810 471 E CB -0.051 29.605 29.700 -0.074 0.000 0.742 471 E HN 0.420 nan 8.360 nan 0.000 0.466 472 K N -0.439 119.736 120.400 -0.375 0.000 2.044 472 K HA -0.025 4.295 4.320 -0.001 0.000 0.204 472 K C 1.328 177.572 176.600 -0.593 0.000 1.049 472 K CA 1.010 56.928 56.287 -0.616 0.000 0.945 472 K CB 0.051 31.892 32.500 -1.098 0.000 0.724 472 K HN 0.047 nan 8.250 nan 0.000 0.440 473 F N -0.590 119.126 119.950 -0.390 0.000 2.731 473 F HA 0.386 4.913 4.527 -0.001 0.000 0.298 473 F C 0.864 176.598 175.800 -0.109 0.000 1.106 473 F CA 0.134 57.870 58.000 -0.439 0.000 1.329 473 F CB 0.175 38.451 39.000 -1.206 0.000 1.100 473 F HN 0.073 nan 8.300 nan 0.000 0.592 474 G N 1.003 109.904 108.800 0.169 0.000 2.629 474 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.686 474 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.686 474 G C 0.670 175.747 174.900 0.295 0.000 1.232 474 G CA -0.328 44.895 45.100 0.203 0.000 0.803 474 G HN 0.343 nan 8.290 nan 0.000 0.638 475 K N -0.157 120.365 120.400 0.204 0.000 2.147 475 K HA -0.043 4.276 4.320 -0.001 0.000 0.205 475 K C 1.638 178.361 176.600 0.206 0.000 1.049 475 K CA 1.860 58.261 56.287 0.190 0.000 0.936 475 K CB 0.035 32.609 32.500 0.124 0.000 0.722 475 K HN 0.359 nan 8.250 nan 0.000 0.446 476 E N 0.880 121.205 120.200 0.207 0.000 2.047 476 E HA -0.174 4.176 4.350 -0.001 0.000 0.191 476 E C 1.631 178.365 176.600 0.224 0.000 0.987 476 E CA 1.098 57.616 56.400 0.196 0.000 0.799 476 E CB -0.386 29.411 29.700 0.162 0.000 0.752 476 E HN 0.584 nan 8.360 nan 0.000 0.449 477 W N 1.814 123.162 121.300 0.081 0.000 2.342 477 W HA -0.197 4.463 4.660 -0.001 0.000 0.297 477 W C 2.209 178.770 176.519 0.070 0.000 1.213 477 W CA 2.425 59.805 57.345 0.059 0.000 1.251 477 W CB -0.276 29.233 29.460 0.083 0.000 1.136 477 W HN 0.050 nan 8.180 nan 0.000 0.526 478 A N -0.654 122.248 122.820 0.136 0.000 1.902 478 A HA -0.282 4.038 4.320 -0.001 0.000 0.217 478 A C 1.790 179.293 177.584 -0.136 0.000 1.181 478 A CA 2.017 53.995 52.037 -0.097 0.000 0.623 478 A CB -1.396 17.701 19.000 0.163 0.000 0.818 478 A HN 0.586 nan 8.150 nan 0.000 0.443 479 H N -0.506 118.492 119.070 -0.120 0.000 2.524 479 H HA 0.274 4.829 4.556 -0.001 0.000 0.282 479 H C 1.581 176.778 175.328 -0.218 0.000 1.016 479 H CA 1.264 57.215 56.048 -0.161 0.000 1.270 479 H CB -0.021 29.657 29.762 -0.139 0.000 1.394 479 H HN 0.364 nan 8.280 nan 0.000 0.568 480 A N -1.704 120.897 122.820 -0.366 0.000 2.324 480 A HA 0.209 4.529 4.320 -0.001 0.000 0.220 480 A C 1.582 178.928 177.584 -0.396 0.000 1.209 480 A CA 0.572 52.365 52.037 -0.408 0.000 0.918 480 A CB 0.331 19.174 19.000 -0.261 0.000 0.959 480 A HN 0.383 nan 8.150 nan 0.000 0.507 481 T N -1.214 113.007 114.554 -0.554 0.000 3.016 481 T HA 0.410 4.760 4.350 -0.001 0.000 0.271 481 T C 1.036 175.415 174.700 -0.535 0.000 0.968 481 T CA 0.317 62.052 62.100 -0.608 0.000 0.891 481 T CB 0.167 68.442 68.868 -0.989 0.000 1.149 481 T HN 0.280 nan 8.240 nan 0.000 0.524 482 I N -0.559 119.721 120.570 -0.482 0.000 4.547 482 I HA 0.246 4.416 4.170 -0.001 0.000 0.303 482 I C 1.526 177.546 176.117 -0.161 0.000 1.188 482 I CA 0.078 61.201 61.300 -0.294 0.000 1.320 482 I CB 0.552 38.363 38.000 -0.316 0.000 1.495 482 I HN 0.052 nan 8.210 nan 0.000 0.462 483 I N 2.390 122.874 120.570 -0.143 0.000 2.208 483 I HA -0.205 3.965 4.170 -0.001 0.000 0.245 483 I C -0.585 175.493 176.117 -0.064 0.000 1.097 483 I CA 1.999 63.266 61.300 -0.056 0.000 1.363 483 I CB -1.715 36.292 38.000 0.013 0.000 1.051 483 I HN 0.164 nan 8.210 nan 0.000 0.413 484 P HA -0.159 nan 4.420 nan 0.000 0.215 484 P C 1.453 178.706 177.300 -0.078 0.000 1.157 484 P CA 1.528 64.566 63.100 -0.102 0.000 0.863 484 P CB -0.042 31.566 31.700 -0.153 0.000 0.787 485 K N -0.734 119.610 120.400 -0.093 0.000 2.211 485 K HA -0.046 4.273 4.320 -0.001 0.000 0.203 485 K C 1.885 178.455 176.600 -0.050 0.000 1.050 485 K CA 0.889 57.133 56.287 -0.073 0.000 0.945 485 K CB -0.619 31.831 32.500 -0.084 0.000 0.732 485 K HN 0.019 nan 8.250 nan 0.000 0.451 486 V N 1.458 121.347 119.914 -0.042 0.000 2.488 486 V HA -0.155 3.964 4.120 -0.001 0.000 0.246 486 V C 1.961 178.046 176.094 -0.015 0.000 1.046 486 V CA 1.336 63.624 62.300 -0.020 0.000 1.053 486 V CB -0.213 31.609 31.823 -0.003 0.000 0.679 486 V HN 0.269 nan 8.190 nan 0.000 0.458 487 L N 0.005 121.220 121.223 -0.014 0.000 2.313 487 L HA -0.005 4.334 4.340 -0.001 0.000 0.214 487 L C 2.634 179.498 176.870 -0.010 0.000 1.119 487 L CA 0.998 55.835 54.840 -0.005 0.000 0.809 487 L CB -0.723 41.341 42.059 0.008 0.000 0.933 487 L HN 0.337 nan 8.230 nan 0.000 0.449 488 A N 0.263 123.073 122.820 -0.018 0.000 2.024 488 A HA -0.213 4.107 4.320 -0.001 0.000 0.220 488 A C 2.230 179.811 177.584 -0.006 0.000 1.164 488 A CA 1.559 53.587 52.037 -0.016 0.000 0.643 488 A CB -0.481 18.503 19.000 -0.025 0.000 0.806 488 A HN 0.414 nan 8.150 nan 0.000 0.451 489 M N 0.651 120.247 119.600 -0.006 0.000 2.630 489 M HA -0.086 4.394 4.480 -0.001 0.000 0.254 489 M C 2.075 178.381 176.300 0.011 0.000 1.092 489 M CA 1.122 56.428 55.300 0.010 0.000 1.087 489 M CB -0.371 32.230 32.600 0.002 0.000 1.453 489 M HN 0.606 nan 8.290 nan 0.000 0.509 490 S N 0.151 115.849 115.700 -0.003 0.000 2.442 490 S HA -0.086 4.383 4.470 -0.001 0.000 0.236 490 S C 1.815 176.414 174.600 -0.003 0.000 1.007 490 S CA 1.195 59.389 58.200 -0.010 0.000 0.965 490 S CB -0.935 62.258 63.200 -0.012 0.000 0.773 490 S HN 0.584 nan 8.310 nan 0.000 0.504 491 G N 0.642 109.444 108.800 0.004 0.000 3.042 491 G HA2 0.103 4.063 3.960 -0.001 0.000 0.212 491 G HA3 0.103 4.063 3.960 -0.001 0.000 0.212 491 G C 0.014 174.922 174.900 0.013 0.000 1.166 491 G CA -0.361 44.742 45.100 0.005 0.000 0.767 491 G HN 0.460 nan 8.290 nan 0.000 0.546 492 D N 1.278 121.694 120.400 0.028 0.000 2.458 492 D HA 0.049 4.689 4.640 -0.001 0.000 0.243 492 D C -0.836 175.469 176.300 0.007 0.000 1.146 492 D CA -1.206 52.819 54.000 0.042 0.000 0.877 492 D CB 2.199 43.066 40.800 0.111 0.000 1.176 492 D HN 0.070 nan 8.370 nan 0.000 0.461 493 P HA -0.121 nan 4.420 nan 0.000 0.222 493 P C 0.346 177.624 177.300 -0.037 0.000 1.147 493 P CA 0.442 63.528 63.100 -0.022 0.000 0.790 493 P CB 0.304 31.992 31.700 -0.021 0.000 0.780 494 N N 0.417 119.062 118.700 -0.090 0.000 2.422 494 N HA -0.032 4.707 4.740 -0.001 0.000 0.264 494 N C 1.011 176.507 175.510 -0.023 0.000 1.063 494 N CA -0.595 52.384 53.050 -0.118 0.000 0.959 494 N CB 0.275 38.523 38.487 -0.398 0.000 1.087 494 N HN -0.022 nan 8.380 nan 0.000 0.483 495 Y N 4.179 124.396 120.300 -0.138 0.000 2.315 495 Y HA -0.055 4.495 4.550 -0.001 0.000 0.288 495 Y C 1.291 177.133 175.900 -0.097 0.000 1.154 495 Y CA 1.102 59.133 58.100 -0.114 0.000 1.229 495 Y CB -0.558 37.838 38.460 -0.107 0.000 0.980 495 Y HN 0.529 nan 8.280 nan 0.000 0.540 496 L N 0.015 121.002 121.223 -0.394 0.000 2.083 496 L HA -0.225 4.114 4.340 -0.001 0.000 0.209 496 L C 2.470 179.324 176.870 -0.027 0.000 1.083 496 L CA 1.999 56.612 54.840 -0.377 0.000 0.752 496 L CB -0.764 41.189 42.059 -0.176 0.000 0.899 496 L HN 0.436 nan 8.230 nan 0.000 0.433 497 H N -1.123 117.884 119.070 -0.105 0.000 2.372 497 H HA -0.047 4.508 4.556 -0.001 0.000 0.301 497 H C 2.439 177.699 175.328 -0.114 0.000 1.065 497 H CA 0.385 56.389 56.048 -0.073 0.000 1.364 497 H CB 0.242 29.989 29.762 -0.024 0.000 1.406 497 H HN 0.163 nan 8.280 nan 0.000 0.521 498 R N 0.610 121.117 120.500 0.011 0.000 2.091 498 R HA -0.114 4.226 4.340 -0.001 0.000 0.238 498 R C 2.350 178.533 176.300 -0.195 0.000 1.136 498 R CA 1.418 57.480 56.100 -0.063 0.000 0.959 498 R CB -0.022 30.254 30.300 -0.040 0.000 0.856 498 R HN 0.297 nan 8.270 nan 0.000 0.437 499 M N -0.842 118.570 119.600 -0.313 0.000 2.159 499 M HA -0.147 4.333 4.480 -0.001 0.000 0.263 499 M C 1.971 177.746 176.300 -0.875 0.000 1.063 499 M CA 1.581 56.490 55.300 -0.651 0.000 1.110 499 M CB -0.162 32.009 32.600 -0.715 0.000 1.374 499 M HN 0.142 nan 8.290 nan 0.000 0.411 500 T N 0.217 114.509 114.554 -0.437 0.000 2.849 500 T HA -0.139 4.210 4.350 -0.001 0.000 0.270 500 T C 1.706 176.321 174.700 -0.141 0.000 1.066 500 T CA 1.778 63.760 62.100 -0.196 0.000 1.130 500 T CB -0.314 68.542 68.868 -0.020 0.000 0.864 500 T HN 0.428 nan 8.240 nan 0.000 0.481 501 T N 2.153 116.611 114.554 -0.159 0.000 2.708 501 T HA 0.029 4.379 4.350 -0.001 0.000 0.266 501 T C 1.930 176.585 174.700 -0.076 0.000 1.037 501 T CA 0.935 62.985 62.100 -0.084 0.000 1.146 501 T CB -0.375 68.450 68.868 -0.071 0.000 0.865 501 T HN 0.297 nan 8.240 nan 0.000 0.435 502 L N -0.092 121.030 121.223 -0.168 0.000 2.056 502 L HA -0.035 4.305 4.340 -0.001 0.000 0.207 502 L C 2.384 179.305 176.870 0.086 0.000 1.078 502 L CA 1.103 55.894 54.840 -0.082 0.000 0.749 502 L CB -0.683 41.285 42.059 -0.152 0.000 0.901 502 L HN 0.193 nan 8.230 nan 0.000 0.433 503 F N -0.245 119.709 119.950 0.008 0.000 2.161 503 F HA -0.224 4.302 4.527 -0.000 0.000 0.300 503 F C 2.638 178.451 175.800 0.021 0.000 1.089 503 F CA 0.463 58.474 58.000 0.018 0.000 1.282 503 F CB -1.644 37.371 39.000 0.025 0.000 1.010 503 F HN 0.162 nan 8.300 nan 0.000 0.485 504 C N -0.111 119.302 119.300 0.188 0.000 2.457 504 C HA -0.060 4.400 4.460 -0.001 0.000 0.278 504 C C 2.910 177.960 174.990 0.100 0.000 1.309 504 C CA 0.228 59.319 59.018 0.122 0.000 1.735 504 C CB -1.161 26.627 27.740 0.081 0.000 1.992 504 C HN 0.377 nan 8.230 nan 0.000 0.493 505 I N 1.529 122.151 120.570 0.087 0.000 2.315 505 I HA -0.180 3.989 4.170 -0.001 0.000 0.248 505 I C 2.154 178.323 176.117 0.086 0.000 1.117 505 I CA 1.468 62.813 61.300 0.075 0.000 1.404 505 I CB -0.630 37.403 38.000 0.055 0.000 1.071 505 I HN 0.501 nan 8.210 nan 0.000 0.419 506 N N 0.345 119.112 118.700 0.111 0.000 2.043 506 N HA -0.167 4.572 4.740 -0.001 0.000 0.193 506 N C 1.901 177.461 175.510 0.083 0.000 1.037 506 N CA 1.174 54.287 53.050 0.104 0.000 0.851 506 N CB -0.065 38.504 38.487 0.136 0.000 1.027 506 N HN 0.072 nan 8.380 nan 0.000 0.422 507 V N 1.583 121.549 119.914 0.087 0.000 2.427 507 V HA -0.137 3.983 4.120 -0.001 0.000 0.248 507 V C 2.008 178.145 176.094 0.071 0.000 1.051 507 V CA 1.301 63.643 62.300 0.070 0.000 1.048 507 V CB -0.370 31.495 31.823 0.070 0.000 0.666 507 V HN 0.301 nan 8.190 nan 0.000 0.456 508 L N 0.609 121.880 121.223 0.079 0.000 2.465 508 L HA -0.062 4.278 4.340 -0.001 0.000 0.224 508 L C 2.499 179.413 176.870 0.074 0.000 1.145 508 L CA 1.224 56.112 54.840 0.081 0.000 0.834 508 L CB -0.493 41.617 42.059 0.085 0.000 0.944 508 L HN 0.516 nan 8.230 nan 0.000 0.451 509 S N -1.127 114.612 115.700 0.066 0.000 2.436 509 S HA -0.117 4.353 4.470 -0.001 0.000 0.228 509 S C 1.635 176.266 174.600 0.052 0.000 1.014 509 S CA 0.378 58.612 58.200 0.057 0.000 0.950 509 S CB -0.152 63.079 63.200 0.053 0.000 0.784 509 S HN 0.433 nan 8.310 nan 0.000 0.504 510 E N 0.838 121.069 120.200 0.052 0.000 2.267 510 E HA -0.077 4.273 4.350 -0.001 0.000 0.197 510 E C 1.477 178.104 176.600 0.045 0.000 0.998 510 E CA 1.449 57.876 56.400 0.044 0.000 0.830 510 E CB -0.037 29.688 29.700 0.042 0.000 0.751 510 E HN 0.712 nan 8.360 nan 0.000 0.491 511 V N -4.368 115.579 119.914 0.055 0.000 3.372 511 V HA 0.201 4.320 4.120 -0.001 0.000 0.304 511 V C 0.955 177.092 176.094 0.072 0.000 1.530 511 V CA -0.408 61.927 62.300 0.059 0.000 1.080 511 V CB -0.007 31.853 31.823 0.062 0.000 0.929 511 V HN 0.146 nan 8.190 nan 0.000 0.455 512 C N 1.799 121.142 119.300 0.071 0.000 2.926 512 C HA 0.708 5.167 4.460 -0.001 0.000 0.272 512 C C 1.579 176.605 174.990 0.061 0.000 1.249 512 C CA 0.408 59.473 59.018 0.078 0.000 1.691 512 C CB -1.100 26.690 27.740 0.085 0.000 1.983 512 C HN 1.260 nan 8.230 nan 0.000 0.615 513 G N 0.359 109.188 108.800 0.049 0.000 2.758 513 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.686 513 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.686 513 G C 0.278 175.195 174.900 0.028 0.000 1.389 513 G CA 0.166 45.288 45.100 0.037 0.000 0.845 513 G HN 0.306 nan 8.290 nan 0.000 0.572 514 Q N -0.708 119.103 119.800 0.019 0.000 2.096 514 Q HA -0.170 4.169 4.340 -0.001 0.000 0.204 514 Q C 2.008 178.006 176.000 -0.002 0.000 0.982 514 Q CA 2.116 57.925 55.803 0.010 0.000 0.850 514 Q CB -0.131 28.611 28.738 0.007 0.000 0.901 514 Q HN 0.696 nan 8.270 nan 0.000 0.422 515 D N 0.065 120.463 120.400 -0.003 0.000 2.081 515 D HA -0.158 4.482 4.640 -0.001 0.000 0.194 515 D C 1.960 178.241 176.300 -0.032 0.000 0.986 515 D CA 1.349 55.337 54.000 -0.020 0.000 0.837 515 D CB -0.178 40.615 40.800 -0.011 0.000 0.985 515 D HN 0.292 nan 8.370 nan 0.000 0.448 516 I N 0.844 121.415 120.570 0.001 0.000 2.335 516 I HA -0.256 3.913 4.170 -0.001 0.000 0.251 516 I C 2.386 178.530 176.117 0.044 0.000 1.129 516 I CA 0.969 62.294 61.300 0.041 0.000 1.402 516 I CB -0.291 37.733 38.000 0.040 0.000 1.069 516 I HN 0.039 nan 8.210 nan 0.000 0.424 517 T N -0.246 114.324 114.554 0.026 0.000 2.777 517 T HA -0.129 4.220 4.350 -0.001 0.000 0.266 517 T C 1.920 176.617 174.700 -0.005 0.000 1.040 517 T CA 1.904 64.020 62.100 0.027 0.000 1.141 517 T CB -0.265 68.620 68.868 0.028 0.000 0.868 517 T HN 0.354 nan 8.240 nan 0.000 0.444 518 T N 1.884 116.418 114.554 -0.033 0.000 2.737 518 T HA -0.006 4.344 4.350 -0.001 0.000 0.265 518 T C 2.052 176.684 174.700 -0.114 0.000 1.038 518 T CA 0.933 63.000 62.100 -0.056 0.000 1.144 518 T CB -0.066 68.772 68.868 -0.050 0.000 0.866 518 T HN 0.339 nan 8.240 nan 0.000 0.434 519 K N -0.019 120.251 120.400 -0.217 0.000 2.044 519 K HA -0.007 4.313 4.320 -0.001 0.000 0.204 519 K C 2.011 178.301 176.600 -0.518 0.000 1.049 519 K CA 0.936 56.964 56.287 -0.432 0.000 0.945 519 K CB -0.029 32.031 32.500 -0.733 0.000 0.724 519 K HN 0.448 nan 8.250 nan 0.000 0.440 520 H N -1.210 117.844 119.070 -0.027 0.000 2.622 520 H HA 0.229 4.785 4.556 -0.001 0.000 0.269 520 H C 1.490 176.837 175.328 0.032 0.000 0.977 520 H CA 0.430 56.490 56.048 0.020 0.000 1.179 520 H CB 0.656 30.448 29.762 0.051 0.000 1.458 520 H HN 0.157 nan 8.280 nan 0.000 0.531 521 M N -0.720 118.930 119.600 0.082 0.000 2.724 521 M HA 0.011 4.491 4.480 -0.001 0.000 0.231 521 M C 1.968 178.287 176.300 0.033 0.000 1.568 521 M CA 0.116 55.455 55.300 0.066 0.000 1.153 521 M CB 0.274 32.915 32.600 0.068 0.000 1.345 521 M HN 0.036 nan 8.290 nan 0.000 0.555 522 L N 2.487 123.719 121.223 0.015 0.000 2.034 522 L HA -0.132 4.207 4.340 -0.001 0.000 0.217 522 L C -0.973 175.900 176.870 0.004 0.000 1.077 522 L CA 2.657 57.501 54.840 0.007 0.000 0.769 522 L CB -1.640 40.416 42.059 -0.005 0.000 0.890 522 L HN 0.024 nan 8.230 nan 0.000 0.435 523 P HA -0.146 nan 4.420 nan 0.000 0.214 523 P C 1.697 179.002 177.300 0.007 0.000 1.163 523 P CA 2.241 65.341 63.100 0.000 0.000 0.889 523 P CB -0.229 31.469 31.700 -0.003 0.000 0.790 524 T N -0.767 113.796 114.554 0.015 0.000 2.759 524 T HA -0.118 4.232 4.350 -0.001 0.000 0.269 524 T C 1.768 176.470 174.700 0.003 0.000 1.042 524 T CA 1.287 63.394 62.100 0.011 0.000 1.140 524 T CB -0.972 67.906 68.868 0.016 0.000 0.864 524 T HN -0.105 nan 8.240 nan 0.000 0.455 525 V N 1.147 121.065 119.914 0.007 0.000 2.358 525 V HA -0.058 4.062 4.120 -0.001 0.000 0.246 525 V C 2.439 178.536 176.094 0.004 0.000 1.047 525 V CA 1.322 63.625 62.300 0.004 0.000 1.035 525 V CB -0.581 31.250 31.823 0.015 0.000 0.658 525 V HN 0.439 nan 8.190 nan 0.000 0.452 526 L N -0.355 120.872 121.223 0.007 0.000 2.141 526 L HA -0.150 4.190 4.340 -0.001 0.000 0.209 526 L C 2.708 179.581 176.870 0.005 0.000 1.094 526 L CA 1.536 56.381 54.840 0.008 0.000 0.763 526 L CB -0.493 41.570 42.059 0.007 0.000 0.908 526 L HN 0.262 nan 8.230 nan 0.000 0.437 527 R N 0.374 120.876 120.500 0.002 0.000 2.092 527 R HA -0.116 4.223 4.340 -0.001 0.000 0.231 527 R C 2.132 178.430 176.300 -0.003 0.000 1.119 527 R CA 1.253 57.353 56.100 0.000 0.000 0.970 527 R CB -0.069 30.231 30.300 0.001 0.000 0.864 527 R HN 0.277 nan 8.270 nan 0.000 0.440 528 M N -0.126 119.469 119.600 -0.009 0.000 2.659 528 M HA 0.079 4.558 4.480 -0.001 0.000 0.243 528 M C 1.798 178.091 176.300 -0.013 0.000 1.111 528 M CA 0.546 55.836 55.300 -0.017 0.000 1.070 528 M CB 0.351 32.931 32.600 -0.033 0.000 1.525 528 M HN 0.223 nan 8.290 nan 0.000 0.517 529 A N 0.497 123.317 122.820 -0.001 0.000 2.178 529 A HA 0.008 4.328 4.320 -0.001 0.000 0.218 529 A C 1.954 179.545 177.584 0.011 0.000 1.157 529 A CA 1.526 53.569 52.037 0.010 0.000 0.689 529 A CB -0.824 18.187 19.000 0.018 0.000 0.787 529 A HN 0.563 nan 8.150 nan 0.000 0.465 530 G N -1.024 107.778 108.800 0.003 0.000 3.690 530 G HA2 0.185 4.145 3.960 -0.001 0.000 0.283 530 G HA3 0.185 4.145 3.960 -0.001 0.000 0.283 530 G C -0.009 174.889 174.900 -0.003 0.000 1.057 530 G CA -0.045 45.057 45.100 0.004 0.000 0.821 530 G HN 0.443 nan 8.290 nan 0.000 0.526 531 D N 1.346 121.740 120.400 -0.010 0.000 2.449 531 D HA 0.022 4.661 4.640 -0.001 0.000 0.236 531 D C -0.798 175.492 176.300 -0.017 0.000 1.149 531 D CA -1.014 52.975 54.000 -0.018 0.000 0.878 531 D CB 2.233 43.014 40.800 -0.032 0.000 1.198 531 D HN 0.062 nan 8.370 nan 0.000 0.446 532 P HA -0.047 nan 4.420 nan 0.000 0.221 532 P C 0.417 177.693 177.300 -0.039 0.000 1.150 532 P CA 0.319 63.403 63.100 -0.027 0.000 0.800 532 P CB 0.342 32.023 31.700 -0.031 0.000 0.787 533 V N 0.816 120.699 119.914 -0.052 0.000 2.465 533 V HA 0.353 4.473 4.120 -0.001 0.000 0.279 533 V C 1.835 177.902 176.094 -0.045 0.000 1.045 533 V CA 0.077 62.331 62.300 -0.078 0.000 0.938 533 V CB 0.884 32.631 31.823 -0.126 0.000 0.986 533 V HN -0.001 nan 8.190 nan 0.000 0.467 534 A N 3.831 126.645 122.820 -0.011 0.000 1.972 534 A HA -0.154 4.166 4.320 -0.001 0.000 0.219 534 A C 1.842 179.406 177.584 -0.033 0.000 1.169 534 A CA 1.988 54.062 52.037 0.061 0.000 0.635 534 A CB -0.649 18.443 19.000 0.153 0.000 0.810 534 A HN 0.871 nan 8.150 nan 0.000 0.446 535 N N -0.082 118.549 118.700 -0.116 0.000 2.223 535 N HA -0.102 4.638 4.740 -0.001 0.000 0.185 535 N C 1.361 176.448 175.510 -0.705 0.000 1.016 535 N CA 1.421 54.148 53.050 -0.539 0.000 0.863 535 N CB -0.368 38.103 38.487 -0.026 0.000 0.983 535 N HN 0.279 nan 8.380 nan 0.000 0.429 536 V N 0.859 120.595 119.914 -0.296 0.000 2.407 536 V HA -0.095 4.025 4.120 -0.001 0.000 0.245 536 V C 2.179 178.135 176.094 -0.229 0.000 1.041 536 V CA 1.319 63.468 62.300 -0.252 0.000 1.040 536 V CB -0.310 31.441 31.823 -0.119 0.000 0.671 536 V HN 0.262 nan 8.190 nan 0.000 0.455 537 R N 0.306 120.721 120.500 -0.143 0.000 2.083 537 R HA -0.189 4.151 4.340 -0.001 0.000 0.237 537 R C 2.342 178.661 176.300 0.032 0.000 1.137 537 R CA 2.175 58.258 56.100 -0.028 0.000 0.951 537 R CB -0.657 29.669 30.300 0.044 0.000 0.851 537 R HN 0.705 nan 8.270 nan 0.000 0.434 538 F N 0.566 120.543 119.950 0.046 0.000 2.325 538 F HA 0.082 4.609 4.527 -0.001 0.000 0.299 538 F C 1.503 177.269 175.800 -0.058 0.000 1.090 538 F CA 0.499 58.527 58.000 0.048 0.000 1.392 538 F CB -0.640 38.426 39.000 0.110 0.000 1.053 538 F HN -0.148 nan 8.300 nan 0.000 0.521 539 N N 0.958 119.478 118.700 -0.300 0.000 2.512 539 N HA -0.053 4.687 4.740 -0.001 0.000 0.183 539 N C 1.902 177.400 175.510 -0.020 0.000 1.073 539 N CA 0.803 53.780 53.050 -0.121 0.000 0.911 539 N CB 0.143 38.488 38.487 -0.237 0.000 0.964 539 N HN 0.305 nan 8.380 nan 0.000 0.447 540 V N 1.115 121.016 119.914 -0.022 0.000 2.407 540 V HA -0.107 4.012 4.120 -0.001 0.000 0.245 540 V C 2.378 178.513 176.094 0.068 0.000 1.041 540 V CA 1.579 63.887 62.300 0.013 0.000 1.040 540 V CB -0.520 31.305 31.823 0.004 0.000 0.671 540 V HN 0.224 nan 8.190 nan 0.000 0.455 541 A N -0.166 122.726 122.820 0.120 0.000 1.902 541 A HA -0.246 4.073 4.320 -0.001 0.000 0.217 541 A C 2.239 179.916 177.584 0.156 0.000 1.181 541 A CA 2.009 54.138 52.037 0.153 0.000 0.623 541 A CB -0.430 18.712 19.000 0.236 0.000 0.818 541 A HN 0.530 nan 8.150 nan 0.000 0.443 542 K N -0.183 120.316 120.400 0.165 0.000 2.097 542 K HA -0.060 4.259 4.320 -0.001 0.000 0.206 542 K C 2.331 179.003 176.600 0.121 0.000 1.049 542 K CA 1.422 57.800 56.287 0.151 0.000 0.933 542 K CB -0.156 32.411 32.500 0.112 0.000 0.717 542 K HN 0.403 nan 8.250 nan 0.000 0.442 543 S N 1.162 116.924 115.700 0.104 0.000 2.368 543 S HA -0.022 4.448 4.470 -0.001 0.000 0.224 543 S C 1.842 176.487 174.600 0.074 0.000 1.029 543 S CA 0.864 59.119 58.200 0.091 0.000 0.988 543 S CB -0.130 63.113 63.200 0.072 0.000 0.838 543 S HN 0.180 nan 8.310 nan 0.000 0.462 544 L N 1.358 122.622 121.223 0.069 0.000 2.046 544 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 544 L C 2.789 179.694 176.870 0.058 0.000 1.077 544 L CA 1.437 56.310 54.840 0.056 0.000 0.747 544 L CB -0.573 41.517 42.059 0.052 0.000 0.896 544 L HN 0.402 nan 8.230 nan 0.000 0.432 545 Q N 0.597 120.441 119.800 0.073 0.000 2.061 545 Q HA -0.297 4.042 4.340 -0.001 0.000 0.204 545 Q C 2.183 178.221 176.000 0.063 0.000 0.984 545 Q CA 2.074 57.919 55.803 0.069 0.000 0.846 545 Q CB 0.070 28.863 28.738 0.091 0.000 0.902 545 Q HN 0.174 nan 8.270 nan 0.000 0.421 546 K N 0.932 121.375 120.400 0.071 0.000 1.984 546 K HA -0.141 4.179 4.320 -0.001 0.000 0.209 546 K C 1.955 178.587 176.600 0.054 0.000 1.046 546 K CA 1.930 58.256 56.287 0.065 0.000 0.934 546 K CB -0.531 32.014 32.500 0.075 0.000 0.717 546 K HN 0.531 nan 8.250 nan 0.000 0.438 547 I N -2.248 118.354 120.570 0.054 0.000 3.111 547 I HA 0.142 4.312 4.170 -0.001 0.000 0.272 547 I C 1.829 177.967 176.117 0.036 0.000 1.268 547 I CA 0.997 62.324 61.300 0.045 0.000 1.467 547 I CB -0.776 37.250 38.000 0.044 0.000 1.087 547 I HN 0.147 nan 8.210 nan 0.000 0.467 548 G N 2.817 111.639 108.800 0.037 0.000 2.574 548 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.220 548 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.220 548 G C -0.395 174.520 174.900 0.025 0.000 1.173 548 G CA 1.325 46.443 45.100 0.030 0.000 0.772 548 G HN 0.412 nan 8.290 nan 0.000 0.585 549 P HA -0.011 nan 4.420 nan 0.000 0.219 549 P C 1.707 179.019 177.300 0.021 0.000 1.146 549 P CA 0.691 63.804 63.100 0.022 0.000 0.808 549 P CB -0.063 31.652 31.700 0.024 0.000 0.779 550 I N -1.969 118.615 120.570 0.023 0.000 2.928 550 I HA -0.080 4.090 4.170 -0.001 0.000 0.266 550 I C 0.998 177.125 176.117 0.016 0.000 1.234 550 I CA 0.318 61.630 61.300 0.021 0.000 1.483 550 I CB -0.366 37.650 38.000 0.026 0.000 1.097 550 I HN -0.114 nan 8.210 nan 0.000 0.455 551 L N 1.261 122.492 121.223 0.014 0.000 2.375 551 L HA 0.179 4.519 4.340 -0.001 0.000 0.271 551 L C 0.032 176.906 176.870 0.007 0.000 1.107 551 L CA -0.864 53.981 54.840 0.008 0.000 0.806 551 L CB 0.378 42.441 42.059 0.008 0.000 1.146 551 L HN 0.134 nan 8.230 nan 0.000 0.447 552 D N 0.125 120.526 120.400 0.003 0.000 2.361 552 D HA -0.062 4.577 4.640 -0.001 0.000 0.239 552 D C 0.672 176.974 176.300 0.003 0.000 1.200 552 D CA -0.418 53.584 54.000 0.003 0.000 0.915 552 D CB 0.515 41.315 40.800 -0.000 0.000 1.170 552 D HN 0.497 nan 8.370 nan 0.000 0.444 553 N N -0.044 118.659 118.700 0.004 0.000 2.223 553 N HA -0.237 4.502 4.740 -0.001 0.000 0.185 553 N C 1.596 177.108 175.510 0.003 0.000 1.016 553 N CA 1.508 54.561 53.050 0.004 0.000 0.863 553 N CB -0.155 38.335 38.487 0.004 0.000 0.983 553 N HN 0.420 nan 8.380 nan 0.000 0.429 554 S N -1.475 114.225 115.700 0.001 0.000 2.368 554 S HA -0.111 4.358 4.470 -0.001 0.000 0.225 554 S C 1.786 176.385 174.600 -0.001 0.000 1.030 554 S CA 1.876 60.076 58.200 -0.001 0.000 0.999 554 S CB -0.765 62.434 63.200 -0.002 0.000 0.844 554 S HN 0.447 nan 8.310 nan 0.000 0.459 555 T N 2.429 116.981 114.554 -0.002 0.000 2.777 555 T HA 0.102 4.452 4.350 -0.001 0.000 0.266 555 T C 1.722 176.422 174.700 0.001 0.000 1.040 555 T CA 1.219 63.317 62.100 -0.004 0.000 1.141 555 T CB -0.369 68.495 68.868 -0.007 0.000 0.868 555 T HN 0.304 nan 8.240 nan 0.000 0.444 556 L N 0.821 122.046 121.223 0.003 0.000 2.131 556 L HA -0.124 4.216 4.340 -0.001 0.000 0.210 556 L C 2.871 179.745 176.870 0.006 0.000 1.092 556 L CA 1.000 55.844 54.840 0.007 0.000 0.759 556 L CB -0.287 41.777 42.059 0.008 0.000 0.903 556 L HN 0.236 nan 8.230 nan 0.000 0.435 557 Q N -0.955 118.848 119.800 0.004 0.000 2.123 557 Q HA -0.074 4.266 4.340 -0.001 0.000 0.196 557 Q C 2.443 178.445 176.000 0.003 0.000 0.958 557 Q CA 1.697 57.502 55.803 0.004 0.000 0.841 557 Q CB -0.170 28.570 28.738 0.003 0.000 0.915 557 Q HN 0.552 nan 8.270 nan 0.000 0.455 558 S N -0.532 115.169 115.700 0.002 0.000 2.478 558 S HA 0.067 4.537 4.470 -0.001 0.000 0.222 558 S C 1.432 176.033 174.600 0.002 0.000 1.008 558 S CA 0.494 58.695 58.200 0.001 0.000 0.928 558 S CB 0.173 63.373 63.200 -0.001 0.000 0.781 558 S HN 0.299 nan 8.310 nan 0.000 0.518 559 E N 0.009 120.210 120.200 0.002 0.000 2.474 559 E HA 0.220 4.570 4.350 -0.001 0.000 0.215 559 E C 1.402 178.006 176.600 0.007 0.000 0.867 559 E CA 0.248 56.649 56.400 0.003 0.000 1.135 559 E CB 0.729 30.428 29.700 -0.001 0.000 1.147 559 E HN 0.325 nan 8.360 nan 0.000 0.534 560 V N 1.388 121.307 119.914 0.009 0.000 2.490 560 V HA -0.088 4.032 4.120 -0.001 0.000 0.238 560 V C 2.238 178.341 176.094 0.015 0.000 1.056 560 V CA 1.232 63.541 62.300 0.014 0.000 1.075 560 V CB -0.249 31.584 31.823 0.016 0.000 0.746 560 V HN 0.061 nan 8.190 nan 0.000 0.479 561 K N 0.780 121.187 120.400 0.012 0.000 2.052 561 K HA -0.263 4.057 4.320 -0.001 0.000 0.215 561 K C -0.271 176.336 176.600 0.012 0.000 1.053 561 K CA 2.590 58.884 56.287 0.011 0.000 0.934 561 K CB -1.189 31.316 32.500 0.008 0.000 0.717 561 K HN 0.376 nan 8.250 nan 0.000 0.450 562 P HA -0.184 nan 4.420 nan 0.000 0.215 562 P C 1.287 178.596 177.300 0.015 0.000 1.157 562 P CA 1.143 64.249 63.100 0.011 0.000 0.868 562 P CB 0.009 31.714 31.700 0.009 0.000 0.788 563 I N -1.142 119.438 120.570 0.017 0.000 2.142 563 I HA -0.191 3.978 4.170 -0.001 0.000 0.240 563 I C 2.376 178.510 176.117 0.029 0.000 1.078 563 I CA 1.610 62.923 61.300 0.022 0.000 1.343 563 I CB -1.550 36.463 38.000 0.022 0.000 1.046 563 I HN -0.041 nan 8.210 nan 0.000 0.405 564 L N 0.289 121.530 121.223 0.030 0.000 2.012 564 L HA -0.242 4.098 4.340 -0.001 0.000 0.210 564 L C 2.489 179.377 176.870 0.030 0.000 1.073 564 L CA 1.558 56.419 54.840 0.036 0.000 0.748 564 L CB -0.809 41.270 42.059 0.032 0.000 0.891 564 L HN 0.276 nan 8.230 nan 0.000 0.431 565 E N 0.108 120.321 120.200 0.021 0.000 2.130 565 E HA -0.297 4.052 4.350 -0.001 0.000 0.196 565 E C 2.188 178.800 176.600 0.020 0.000 0.998 565 E CA 1.532 57.942 56.400 0.016 0.000 0.806 565 E CB -0.093 29.614 29.700 0.011 0.000 0.738 565 E HN 0.356 nan 8.360 nan 0.000 0.459 566 K N 1.032 121.446 120.400 0.023 0.000 2.001 566 K HA -0.142 4.178 4.320 -0.001 0.000 0.208 566 K C 2.166 178.787 176.600 0.034 0.000 1.048 566 K CA 0.978 57.280 56.287 0.025 0.000 0.932 566 K CB -0.132 32.381 32.500 0.023 0.000 0.715 566 K HN 0.084 nan 8.250 nan 0.000 0.437 567 L N 1.291 122.540 121.223 0.043 0.000 2.189 567 L HA -0.180 4.160 4.340 -0.001 0.000 0.214 567 L C 2.433 179.341 176.870 0.064 0.000 1.097 567 L CA 1.808 56.685 54.840 0.062 0.000 0.764 567 L CB -0.780 41.327 42.059 0.080 0.000 0.900 567 L HN 0.495 nan 8.230 nan 0.000 0.436 568 T N -4.370 110.212 114.554 0.046 0.000 3.072 568 T HA -0.116 4.234 4.350 -0.001 0.000 0.266 568 T C 1.610 176.331 174.700 0.034 0.000 1.127 568 T CA 0.537 62.658 62.100 0.036 0.000 1.107 568 T CB -0.013 68.864 68.868 0.016 0.000 0.910 568 T HN 0.252 nan 8.240 nan 0.000 0.513 569 Q N 0.913 120.734 119.800 0.034 0.000 2.356 569 Q HA 0.223 4.562 4.340 -0.001 0.000 0.205 569 Q C 0.548 176.569 176.000 0.036 0.000 0.901 569 Q CA -0.016 55.805 55.803 0.030 0.000 0.938 569 Q CB -0.180 28.572 28.738 0.023 0.000 1.081 569 Q HN 0.655 nan 8.270 nan 0.000 0.517 570 D N 1.676 122.105 120.400 0.048 0.000 2.474 570 D HA -0.111 4.529 4.640 -0.001 0.000 0.232 570 D C 1.353 177.684 176.300 0.053 0.000 1.177 570 D CA 0.298 54.331 54.000 0.055 0.000 0.876 570 D CB 1.078 41.926 40.800 0.079 0.000 1.208 570 D HN 0.137 nan 8.370 nan 0.000 0.464 571 Q N 2.559 122.388 119.800 0.048 0.000 2.079 571 Q HA -0.183 4.156 4.340 -0.001 0.000 0.200 571 Q C 0.229 176.260 176.000 0.052 0.000 0.974 571 Q CA 0.928 56.756 55.803 0.042 0.000 0.840 571 Q CB -0.397 28.361 28.738 0.033 0.000 0.898 571 Q HN 0.486 nan 8.270 nan 0.000 0.430 572 D N 0.461 120.904 120.400 0.072 0.000 2.425 572 D HA 0.091 4.731 4.640 -0.001 0.000 0.247 572 D C 1.196 177.557 176.300 0.101 0.000 1.147 572 D CA 0.032 54.087 54.000 0.092 0.000 0.879 572 D CB 1.330 42.208 40.800 0.130 0.000 1.179 572 D HN -0.073 nan 8.370 nan 0.000 0.456 573 V N 3.554 123.516 119.914 0.078 0.000 2.282 573 V HA -0.255 3.865 4.120 -0.001 0.000 0.249 573 V C 1.633 177.781 176.094 0.091 0.000 1.057 573 V CA 1.821 64.159 62.300 0.064 0.000 1.032 573 V CB -0.500 31.337 31.823 0.025 0.000 0.645 573 V HN 0.677 nan 8.190 nan 0.000 0.447 574 D N 0.024 120.488 120.400 0.108 0.000 2.183 574 D HA -0.075 4.565 4.640 -0.001 0.000 0.203 574 D C 2.189 178.693 176.300 0.339 0.000 0.969 574 D CA 1.085 55.168 54.000 0.140 0.000 0.842 574 D CB -0.066 40.729 40.800 -0.009 0.000 0.957 574 D HN 0.381 nan 8.370 nan 0.000 0.484 575 V N 1.234 121.352 119.914 0.340 0.000 2.427 575 V HA -0.204 3.916 4.120 -0.001 0.000 0.248 575 V C 2.388 178.636 176.094 0.257 0.000 1.051 575 V CA 1.352 63.877 62.300 0.374 0.000 1.048 575 V CB -0.299 31.688 31.823 0.274 0.000 0.666 575 V HN 0.121 nan 8.190 nan 0.000 0.456 576 K N -0.766 119.739 120.400 0.174 0.000 1.985 576 K HA -0.229 4.090 4.320 -0.001 0.000 0.210 576 K C 2.210 178.851 176.600 0.068 0.000 1.047 576 K CA 2.210 58.559 56.287 0.104 0.000 0.932 576 K CB -0.468 32.079 32.500 0.079 0.000 0.716 576 K HN 0.509 nan 8.250 nan 0.000 0.439 577 Y N 0.727 120.993 120.300 -0.057 0.000 2.053 577 Y HA -0.301 4.249 4.550 -0.001 0.000 0.277 577 Y C 1.929 177.683 175.900 -0.242 0.000 1.159 577 Y CA 1.802 59.778 58.100 -0.206 0.000 1.125 577 Y CB -0.447 37.785 38.460 -0.379 0.000 0.969 577 Y HN -0.029 nan 8.280 nan 0.000 0.492 578 F N -0.214 119.771 119.950 0.059 0.000 2.293 578 F HA -0.103 4.424 4.527 -0.001 0.000 0.300 578 F C 2.501 178.287 175.800 -0.024 0.000 1.086 578 F CA 1.054 59.062 58.000 0.014 0.000 1.375 578 F CB -0.996 38.101 39.000 0.163 0.000 1.045 578 F HN 0.189 nan 8.300 nan 0.000 0.516 579 A N -0.632 122.271 122.820 0.138 0.000 1.897 579 A HA -0.213 4.106 4.320 -0.001 0.000 0.215 579 A C 2.102 179.680 177.584 -0.010 0.000 1.181 579 A CA 1.555 53.642 52.037 0.084 0.000 0.620 579 A CB -0.700 18.351 19.000 0.085 0.000 0.821 579 A HN 0.327 nan 8.150 nan 0.000 0.443 580 Q N 0.302 120.046 119.800 -0.093 0.000 2.050 580 Q HA -0.201 4.138 4.340 -0.001 0.000 0.202 580 Q C 1.926 177.826 176.000 -0.168 0.000 0.980 580 Q CA 2.378 58.100 55.803 -0.135 0.000 0.840 580 Q CB -0.393 28.234 28.738 -0.186 0.000 0.898 580 Q HN 0.733 nan 8.270 nan 0.000 0.424 581 E N -0.350 119.678 120.200 -0.285 0.000 2.085 581 E HA -0.205 4.145 4.350 -0.001 0.000 0.194 581 E C 1.701 178.257 176.600 -0.072 0.000 0.994 581 E CA 1.709 57.969 56.400 -0.233 0.000 0.801 581 E CB -0.557 28.944 29.700 -0.331 0.000 0.743 581 E HN 0.392 nan 8.360 nan 0.000 0.453 582 A N 0.925 123.737 122.820 -0.013 0.000 1.865 582 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 582 A C 2.366 179.955 177.584 0.009 0.000 1.191 582 A CA 1.719 53.776 52.037 0.032 0.000 0.623 582 A CB -1.019 18.021 19.000 0.067 0.000 0.826 582 A HN 0.375 nan 8.150 nan 0.000 0.444 583 L N -0.719 120.501 121.223 -0.006 0.000 2.043 583 L HA -0.219 4.120 4.340 -0.001 0.000 0.212 583 L C 2.828 179.689 176.870 -0.015 0.000 1.075 583 L CA 1.909 56.744 54.840 -0.008 0.000 0.752 583 L CB -0.812 41.238 42.059 -0.015 0.000 0.891 583 L HN 0.401 nan 8.230 nan 0.000 0.432 584 T N -1.000 113.534 114.554 -0.032 0.000 2.777 584 T HA -0.134 4.215 4.350 -0.001 0.000 0.266 584 T C 1.953 176.643 174.700 -0.016 0.000 1.040 584 T CA 1.269 63.351 62.100 -0.031 0.000 1.141 584 T CB -0.114 68.722 68.868 -0.054 0.000 0.868 584 T HN 0.060 nan 8.240 nan 0.000 0.444 585 V N 1.397 121.306 119.914 -0.009 0.000 2.427 585 V HA -0.042 4.077 4.120 -0.001 0.000 0.248 585 V C 2.315 178.415 176.094 0.010 0.000 1.051 585 V CA 1.388 63.691 62.300 0.005 0.000 1.048 585 V CB -0.531 31.302 31.823 0.018 0.000 0.666 585 V HN 0.439 nan 8.190 nan 0.000 0.456 586 L N -0.451 120.778 121.223 0.011 0.000 2.395 586 L HA 0.057 4.397 4.340 -0.001 0.000 0.218 586 L C 1.401 178.276 176.870 0.008 0.000 1.130 586 L CA 0.698 55.546 54.840 0.013 0.000 0.826 586 L CB -0.138 41.931 42.059 0.016 0.000 0.941 586 L HN 0.424 nan 8.230 nan 0.000 0.451 587 S N -0.858 114.844 115.700 0.003 0.000 3.315 587 S HA -0.132 4.338 4.470 -0.001 0.000 0.283 587 S C 0.825 175.426 174.600 0.001 0.000 1.279 587 S CA 0.375 58.575 58.200 0.001 0.000 0.984 587 S CB -1.662 61.540 63.200 0.003 0.000 1.184 587 S HN 0.353 nan 8.310 nan 0.000 0.653 588 L N -0.262 120.961 121.223 0.001 0.000 2.592 588 L HA 0.406 4.746 4.340 -0.001 0.000 0.227 588 L C 1.391 178.260 176.870 -0.002 0.000 1.127 588 L CA 0.461 55.302 54.840 0.002 0.000 0.884 588 L CB -0.434 41.629 42.059 0.005 0.000 1.065 588 L HN 0.491 nan 8.230 nan 0.000 0.457 589 A N 0.000 122.816 122.820 -0.006 0.000 2.254 589 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 589 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 589 A CB 0.000 18.989 19.000 -0.019 0.000 0.831 589 A HN 0.000 nan 8.150 nan 0.000 0.486