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 3hhs_1_B DATA FIRST_RESID 3 DATA SEQUENCE DAKNNLLYFF DRPNEPCFMQ KGEDKVVFEI PDHYYPDKYK SLSNTLSNRF DATA SEQUENCE GNEATKRIPI RNITLPNLEV PMQLPYNDQF SLFVPKHRTM AAKLIDIFMG DATA SEQUENCE MRDVEDLQSV CSYCQLRINP YMFNYCLSVA ILHRPDTKGL SIPTFAETFP DATA SEQUENCE DKFMDSKVFL RAREVSNVVI SGSRMPVNVP INYTANTTEP EQRVAYFRED DATA SEQUENCE IGINLHHWHW HLVYPFDSAD RSIVNKDRRG ELFYYMHQQI IGRYNVERMC DATA SEQUENCE NGLPQVKPFS DFSAPIEEGY FPKLDSQVAS RTWPPRFAGS VFRNLDRTVD DATA SEQUENCE QVKIDVRKLF TWRDQFLEAI QKMAIKMPNG RELPLDEVTG IDMLGNLMES DATA SEQUENCE SIISPNRGYY GDLHNMGHVF AAYTHDPDHR HLEQFGVMGD SATAMRDPFF DATA SEQUENCE YRWHRFVDDV FNIYKEKLTP YTNERLDFPG VRVSSVGIEG XRPNTLRTLW DATA SEQUENCE QQSTVELGRG LDFTPRGSVL ARFTHLQHDE FQYVIEVNNT TGGNLMGTVR DATA SEQUENCE IFMAPKVDDN GQPMSFNKQR RLMIELDKFS QALRPGTNTI RRRSVDSSVT DATA SEQUENCE IPYERTXXXX XXXXXXXXXX XXXXXDFcGc GWPHHMLIPK GTAQGYPVVL DATA SEQUENCE FVMISNWNND RIEQDXXGSc NDAASYcGIR DRKYPDKQAM GYPFDRKMAN DATA SEQUENCE DAATLSDFLR PNMAVRDCSI QFSDTTVE 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.350 176.300 0.083 0.000 2.045 3 D CA 0.000 54.032 54.000 0.053 0.000 0.868 3 D CB 0.000 40.833 40.800 0.054 0.000 0.688 4 A N 1.643 124.520 122.820 0.096 0.000 1.892 4 A HA -0.245 4.076 4.320 0.001 0.000 0.218 4 A C 1.994 179.653 177.584 0.126 0.000 1.188 4 A CA 2.590 54.707 52.037 0.132 0.000 0.631 4 A CB -0.690 18.382 19.000 0.120 0.000 0.822 4 A HN 0.293 nan 8.150 nan 0.000 0.447 5 K N -0.237 120.213 120.400 0.084 0.000 2.034 5 K HA -0.267 4.054 4.320 0.001 0.000 0.214 5 K C 1.723 178.357 176.600 0.057 0.000 1.051 5 K CA 2.203 58.529 56.287 0.065 0.000 0.931 5 K CB -0.349 32.174 32.500 0.038 0.000 0.715 5 K HN 0.659 nan 8.250 nan 0.000 0.446 6 N N 0.344 119.064 118.700 0.033 0.000 2.331 6 N HA -0.072 4.668 4.740 0.001 0.000 0.180 6 N C 1.287 176.770 175.510 -0.046 0.000 1.019 6 N CA 0.866 53.905 53.050 -0.018 0.000 0.881 6 N CB -0.048 38.417 38.487 -0.036 0.000 0.972 6 N HN 0.230 nan 8.380 nan 0.000 0.435 7 N N 1.023 119.762 118.700 0.065 0.000 2.272 7 N HA -0.097 4.643 4.740 0.001 0.000 0.185 7 N C 1.419 177.062 175.510 0.221 0.000 1.014 7 N CA 0.628 53.790 53.050 0.187 0.000 0.870 7 N CB -0.262 38.430 38.487 0.342 0.000 0.975 7 N HN 0.339 nan 8.380 nan 0.000 0.433 8 L N 0.495 121.848 121.223 0.217 0.000 2.187 8 L HA -0.120 4.221 4.340 0.001 0.000 0.213 8 L C 2.004 179.085 176.870 0.351 0.000 1.100 8 L CA 0.677 55.727 54.840 0.350 0.000 0.765 8 L CB -0.432 41.804 42.059 0.295 0.000 0.904 8 L HN 0.168 nan 8.230 nan 0.000 0.437 9 L N -1.645 119.655 121.223 0.128 0.000 2.265 9 L HA -0.231 4.110 4.340 0.001 0.000 0.215 9 L C 2.430 179.365 176.870 0.107 0.000 1.117 9 L CA 1.033 55.939 54.840 0.109 0.000 0.782 9 L CB -0.662 41.303 42.059 -0.157 0.000 0.914 9 L HN 0.237 nan 8.230 nan 0.000 0.441 10 Y N -0.910 119.436 120.300 0.076 0.000 2.403 10 Y HA -0.175 4.376 4.550 0.001 0.000 0.291 10 Y C 2.074 177.944 175.900 -0.051 0.000 1.143 10 Y CA 0.866 58.942 58.100 -0.040 0.000 1.257 10 Y CB -0.724 37.651 38.460 -0.141 0.000 0.984 10 Y HN 0.055 nan 8.280 nan 0.000 0.550 11 F N -2.278 117.887 119.950 0.358 0.000 2.699 11 F HA -0.063 4.465 4.527 0.001 0.000 0.298 11 F C 1.134 176.889 175.800 -0.075 0.000 1.154 11 F CA 0.579 58.666 58.000 0.145 0.000 1.457 11 F CB -0.988 38.073 39.000 0.101 0.000 1.106 11 F HN -0.015 nan 8.300 nan 0.000 0.585 12 F N -0.792 119.282 119.950 0.207 0.000 2.695 12 F HA 0.134 4.662 4.527 0.001 0.000 0.303 12 F C 0.437 176.223 175.800 -0.024 0.000 1.091 12 F CA -0.592 57.455 58.000 0.078 0.000 1.300 12 F CB 0.025 39.057 39.000 0.053 0.000 1.071 12 F HN -0.222 nan 8.300 nan 0.000 0.578 13 D N 0.548 121.035 120.400 0.145 0.000 2.233 13 D HA 0.253 4.894 4.640 0.001 0.000 0.240 13 D C 0.051 176.328 176.300 -0.040 0.000 1.074 13 D CA -0.255 53.774 54.000 0.048 0.000 0.838 13 D CB 0.533 41.390 40.800 0.096 0.000 1.124 13 D HN -0.130 nan 8.370 nan 0.000 0.475 14 R N 3.290 123.722 120.500 -0.113 0.000 3.059 14 R HA -0.108 4.232 4.340 0.001 0.000 0.251 14 R C -1.915 174.265 176.300 -0.200 0.000 0.886 14 R CA 0.210 56.196 56.100 -0.190 0.000 0.634 14 R CB -1.380 28.794 30.300 -0.211 0.000 1.282 14 R HN 0.549 nan 8.270 nan 0.000 0.487 15 P HA -0.116 nan 4.420 nan 0.000 0.220 15 P C 0.748 177.987 177.300 -0.101 0.000 1.148 15 P CA 1.175 64.205 63.100 -0.116 0.000 0.803 15 P CB 0.109 31.729 31.700 -0.134 0.000 0.782 16 N N -1.038 117.568 118.700 -0.156 0.000 2.467 16 N HA -0.013 4.727 4.740 0.001 0.000 0.184 16 N C 0.217 175.628 175.510 -0.164 0.000 1.106 16 N CA 0.167 53.147 53.050 -0.117 0.000 0.892 16 N CB -0.057 38.381 38.487 -0.081 0.000 0.969 16 N HN 0.270 nan 8.380 nan 0.000 0.454 17 E N 1.453 121.443 120.200 -0.349 0.000 2.259 17 E HA 0.163 4.514 4.350 0.001 0.000 0.281 17 E C -2.403 174.021 176.600 -0.293 0.000 1.027 17 E CA -2.121 54.079 56.400 -0.333 0.000 0.838 17 E CB 0.771 30.210 29.700 -0.436 0.000 1.066 17 E HN 0.052 nan 8.360 nan 0.000 0.401 18 P HA -0.099 nan 4.420 nan 0.000 0.265 18 P C 0.728 177.572 177.300 -0.760 0.000 1.193 18 P CA -0.059 62.633 63.100 -0.680 0.000 0.765 18 P CB 0.278 31.204 31.700 -1.290 0.000 0.823 19 C N 1.640 120.668 119.300 -0.453 0.000 2.525 19 C HA 0.044 4.505 4.460 0.001 0.000 0.279 19 C C 1.887 176.803 174.990 -0.124 0.000 1.437 19 C CA -0.366 58.534 59.018 -0.197 0.000 1.704 19 C CB -2.571 25.195 27.740 0.043 0.000 1.672 19 C HN 0.594 nan 8.230 nan 0.000 0.582 20 F N -0.741 119.111 119.950 -0.163 0.000 2.780 20 F HA 0.433 4.961 4.527 0.001 0.000 0.299 20 F C 1.084 176.771 175.800 -0.188 0.000 1.146 20 F CA -0.750 57.169 58.000 -0.134 0.000 1.428 20 F CB -0.721 38.114 39.000 -0.276 0.000 1.115 20 F HN 0.086 nan 8.300 nan 0.000 0.583 21 M N 1.114 120.418 119.600 -0.493 0.000 2.197 21 M HA 0.187 4.667 4.480 0.001 0.000 0.305 21 M C 0.226 176.355 176.300 -0.285 0.000 1.162 21 M CA -0.379 54.498 55.300 -0.705 0.000 1.099 21 M CB 0.612 32.669 32.600 -0.905 0.000 1.430 21 M HN 0.060 nan 8.290 nan 0.000 0.481 22 Q N 1.533 121.224 119.800 -0.182 0.000 2.337 22 Q HA 0.159 4.500 4.340 0.001 0.000 0.270 22 Q C -0.845 175.052 176.000 -0.171 0.000 1.002 22 Q CA 0.256 55.991 55.803 -0.114 0.000 0.888 22 Q CB 0.650 29.377 28.738 -0.018 0.000 1.222 22 Q HN 0.242 nan 8.270 nan 0.000 0.400 23 K N 1.154 121.407 120.400 -0.245 0.000 2.259 23 K HA 0.607 4.927 4.320 0.001 0.000 0.252 23 K C 0.018 176.523 176.600 -0.158 0.000 0.936 23 K CA -0.076 56.077 56.287 -0.223 0.000 0.810 23 K CB 1.906 34.203 32.500 -0.338 0.000 1.143 23 K HN 0.892 nan 8.250 nan 0.000 0.427 24 G N 1.886 110.701 108.800 0.025 0.000 2.828 24 G HA2 -0.222 3.738 3.960 0.001 0.000 0.463 24 G HA3 -0.222 3.738 3.960 0.001 0.000 0.463 24 G C 0.205 175.126 174.900 0.036 0.000 1.394 24 G CA -0.455 44.713 45.100 0.113 0.000 0.862 24 G HN 0.568 nan 8.290 nan 0.000 0.540 25 E N 0.511 120.739 120.200 0.047 0.000 2.511 25 E HA 0.015 4.365 4.350 0.001 0.000 0.196 25 E C 1.404 178.012 176.600 0.014 0.000 1.066 25 E CA 1.344 57.757 56.400 0.023 0.000 0.871 25 E CB 0.079 29.792 29.700 0.022 0.000 0.863 25 E HN 0.668 nan 8.360 nan 0.000 0.520 26 D N -0.210 120.198 120.400 0.014 0.000 2.433 26 D HA 0.037 4.677 4.640 0.001 0.000 0.211 26 D C -0.078 176.199 176.300 -0.038 0.000 1.114 26 D CA -0.302 53.699 54.000 0.001 0.000 0.837 26 D CB 0.049 40.865 40.800 0.027 0.000 0.984 26 D HN -0.136 nan 8.370 nan 0.000 0.505 27 K N 0.080 120.445 120.400 -0.057 0.000 3.393 27 K HA -0.111 4.210 4.320 0.001 0.000 0.272 27 K C -0.784 175.733 176.600 -0.138 0.000 1.004 27 K CA 0.088 56.329 56.287 -0.077 0.000 0.764 27 K CB -1.634 30.846 32.500 -0.034 0.000 1.373 27 K HN 0.128 nan 8.250 nan 0.000 0.458 28 V N 1.059 120.814 119.914 -0.265 0.000 2.716 28 V HA 0.517 4.638 4.120 0.001 0.000 0.304 28 V C 0.542 176.383 176.094 -0.421 0.000 1.053 28 V CA -0.633 61.435 62.300 -0.388 0.000 0.984 28 V CB 1.868 33.299 31.823 -0.654 0.000 1.021 28 V HN 0.233 nan 8.190 nan 0.000 0.467 29 V N 0.745 120.451 119.914 -0.348 0.000 2.769 29 V HA 0.674 4.795 4.120 0.001 0.000 0.312 29 V C -0.875 175.031 176.094 -0.314 0.000 1.061 29 V CA -0.919 61.224 62.300 -0.261 0.000 0.931 29 V CB 1.754 33.557 31.823 -0.033 0.000 1.010 29 V HN 0.501 nan 8.190 nan 0.000 0.433 30 F N 0.877 120.776 119.950 -0.084 0.000 2.375 30 F HA 0.454 4.982 4.527 0.001 0.000 0.333 30 F C 1.172 176.992 175.800 0.033 0.000 1.104 30 F CA -0.376 57.608 58.000 -0.026 0.000 1.149 30 F CB 1.122 40.121 39.000 -0.002 0.000 1.190 30 F HN 0.607 nan 8.300 nan 0.000 0.533 31 E N 3.676 124.020 120.200 0.240 0.000 1.979 31 E HA 0.130 4.480 4.350 0.001 0.000 0.285 31 E C -0.480 176.205 176.600 0.141 0.000 1.188 31 E CA -0.294 56.203 56.400 0.162 0.000 1.214 31 E CB -0.025 29.736 29.700 0.103 0.000 1.210 31 E HN 0.249 nan 8.360 nan 0.000 0.477 32 I N 3.850 124.536 120.570 0.193 0.000 2.587 32 I HA 0.037 4.207 4.170 0.001 0.000 0.284 32 I C -1.871 174.326 176.117 0.133 0.000 1.134 32 I CA -2.310 59.071 61.300 0.135 0.000 1.410 32 I CB -0.614 37.495 38.000 0.182 0.000 1.392 32 I HN 0.086 nan 8.210 nan 0.000 0.545 33 P HA 0.091 nan 4.420 nan 0.000 0.272 33 P C 0.446 177.853 177.300 0.178 0.000 1.223 33 P CA -0.259 62.816 63.100 -0.041 0.000 0.784 33 P CB 0.568 32.116 31.700 -0.253 0.000 0.923 34 D N 0.909 121.424 120.400 0.191 0.000 2.123 34 D HA -0.277 4.364 4.640 0.001 0.000 0.196 34 D C 1.344 177.830 176.300 0.310 0.000 0.992 34 D CA 1.883 55.971 54.000 0.146 0.000 0.833 34 D CB -1.214 39.593 40.800 0.012 0.000 0.954 34 D HN 0.598 nan 8.370 nan 0.000 0.455 35 H N -1.061 118.148 119.070 0.231 0.000 2.559 35 H HA -0.031 4.526 4.556 0.001 0.000 0.273 35 H C 1.303 176.940 175.328 0.515 0.000 1.000 35 H CA 0.479 56.708 56.048 0.302 0.000 1.195 35 H CB -1.094 28.806 29.762 0.230 0.000 1.368 35 H HN 0.382 nan 8.280 nan 0.000 0.592 36 Y N 0.127 120.402 120.300 -0.042 0.000 2.475 36 Y HA 0.008 4.558 4.550 0.001 0.000 0.289 36 Y C 0.478 176.473 175.900 0.159 0.000 1.121 36 Y CA -0.484 57.678 58.100 0.103 0.000 1.257 36 Y CB 0.144 38.646 38.460 0.070 0.000 1.026 36 Y HN 0.048 nan 8.280 nan 0.000 0.555 37 Y N 2.223 122.667 120.300 0.240 0.000 2.597 37 Y HA -0.008 4.542 4.550 0.001 0.000 0.336 37 Y C -1.864 174.132 175.900 0.159 0.000 1.216 37 Y CA -2.249 55.979 58.100 0.212 0.000 1.463 37 Y CB -0.098 38.432 38.460 0.118 0.000 1.303 37 Y HN -0.064 nan 8.280 nan 0.000 0.576 38 P HA -0.074 nan 4.420 nan 0.000 0.268 38 P C 0.071 177.420 177.300 0.081 0.000 1.208 38 P CA 0.061 63.212 63.100 0.086 0.000 0.777 38 P CB 0.767 32.486 31.700 0.031 0.000 0.875 39 D N 1.756 122.154 120.400 -0.004 0.000 2.149 39 D HA -0.213 4.428 4.640 0.001 0.000 0.194 39 D C 1.624 177.896 176.300 -0.047 0.000 1.001 39 D CA 1.761 55.756 54.000 -0.009 0.000 0.849 39 D CB -0.262 40.517 40.800 -0.034 0.000 0.939 39 D HN 0.595 nan 8.370 nan 0.000 0.449 40 K N -0.593 119.706 120.400 -0.168 0.000 2.362 40 K HA -0.137 4.184 4.320 0.001 0.000 0.200 40 K C 1.094 177.550 176.600 -0.241 0.000 1.046 40 K CA 1.053 57.174 56.287 -0.276 0.000 0.952 40 K CB -0.191 32.035 32.500 -0.457 0.000 0.753 40 K HN 0.203 nan 8.250 nan 0.000 0.466 41 Y N 1.051 121.408 120.300 0.095 0.000 2.445 41 Y HA 0.297 4.847 4.550 0.001 0.000 0.247 41 Y C 1.460 177.394 175.900 0.056 0.000 1.129 41 Y CA -0.900 57.270 58.100 0.117 0.000 1.251 41 Y CB 0.458 39.064 38.460 0.243 0.000 1.176 41 Y HN -0.073 nan 8.280 nan 0.000 0.522 42 K N 0.412 120.917 120.400 0.175 0.000 2.063 42 K HA -0.179 4.141 4.320 0.001 0.000 0.208 42 K C 2.185 178.773 176.600 -0.019 0.000 1.048 42 K CA 1.908 58.239 56.287 0.073 0.000 0.928 42 K CB -0.165 32.386 32.500 0.084 0.000 0.713 42 K HN 0.326 nan 8.250 nan 0.000 0.442 43 S N 0.556 116.261 115.700 0.008 0.000 2.447 43 S HA -0.064 4.407 4.470 0.001 0.000 0.233 43 S C 1.535 176.110 174.600 -0.041 0.000 1.006 43 S CA 0.771 58.962 58.200 -0.016 0.000 0.957 43 S CB -0.114 63.086 63.200 -0.000 0.000 0.773 43 S HN 0.220 nan 8.310 nan 0.000 0.507 44 L N 2.094 123.295 121.223 -0.037 0.000 2.818 44 L HA 0.264 4.604 4.340 0.001 0.000 0.243 44 L C 2.191 178.937 176.870 -0.207 0.000 1.185 44 L CA 0.323 55.121 54.840 -0.070 0.000 0.988 44 L CB -0.012 42.054 42.059 0.012 0.000 1.292 44 L HN 0.456 nan 8.230 nan 0.000 0.519 45 S N -0.763 114.722 115.700 -0.359 0.000 2.382 45 S HA -0.160 4.310 4.470 0.001 0.000 0.228 45 S C 1.667 175.953 174.600 -0.525 0.000 1.027 45 S CA 1.047 58.754 58.200 -0.821 0.000 0.991 45 S CB -0.217 62.302 63.200 -1.136 0.000 0.823 45 S HN 0.448 nan 8.310 nan 0.000 0.469 46 N N 1.949 120.472 118.700 -0.295 0.000 2.043 46 N HA -0.073 4.667 4.740 0.001 0.000 0.193 46 N C 1.891 177.312 175.510 -0.148 0.000 1.037 46 N CA 2.031 54.973 53.050 -0.181 0.000 0.851 46 N CB -1.420 36.995 38.487 -0.120 0.000 1.027 46 N HN 0.514 nan 8.380 nan 0.000 0.422 47 T N 2.232 116.702 114.554 -0.141 0.000 2.684 47 T HA -0.048 4.302 4.350 0.001 0.000 0.267 47 T C 2.144 176.760 174.700 -0.140 0.000 1.036 47 T CA 0.866 62.894 62.100 -0.121 0.000 1.148 47 T CB -0.275 68.534 68.868 -0.099 0.000 0.863 47 T HN 0.145 nan 8.240 nan 0.000 0.436 48 L N 0.543 121.677 121.223 -0.149 0.000 2.072 48 L HA -0.037 4.304 4.340 0.001 0.000 0.205 48 L C 2.886 179.779 176.870 0.038 0.000 1.079 48 L CA 0.908 55.693 54.840 -0.092 0.000 0.752 48 L CB -0.677 41.327 42.059 -0.092 0.000 0.906 48 L HN 0.258 nan 8.230 nan 0.000 0.436 49 S N 0.440 116.156 115.700 0.027 0.000 2.365 49 S HA -0.240 4.231 4.470 0.001 0.000 0.225 49 S C 1.693 176.333 174.600 0.065 0.000 1.039 49 S CA 2.148 60.423 58.200 0.124 0.000 1.033 49 S CB -0.391 62.835 63.200 0.043 0.000 0.887 49 S HN 0.503 nan 8.310 nan 0.000 0.447 50 N N 0.202 118.887 118.700 -0.025 0.000 2.142 50 N HA -0.079 4.662 4.740 0.001 0.000 0.186 50 N C 2.144 177.601 175.510 -0.088 0.000 1.023 50 N CA 0.939 53.962 53.050 -0.045 0.000 0.852 50 N CB -0.181 38.266 38.487 -0.065 0.000 0.998 50 N HN 0.362 nan 8.380 nan 0.000 0.424 51 R N 0.583 120.966 120.500 -0.195 0.000 2.083 51 R HA -0.115 4.225 4.340 0.001 0.000 0.237 51 R C 1.232 177.297 176.300 -0.392 0.000 1.137 51 R CA 1.561 57.431 56.100 -0.384 0.000 0.951 51 R CB -0.162 29.738 30.300 -0.668 0.000 0.851 51 R HN 0.177 nan 8.270 nan 0.000 0.434 52 F N -0.767 119.220 119.950 0.062 0.000 2.664 52 F HA 0.239 4.767 4.527 0.001 0.000 0.296 52 F C 2.209 178.033 175.800 0.039 0.000 1.125 52 F CA 0.752 58.794 58.000 0.070 0.000 1.444 52 F CB -0.333 38.749 39.000 0.136 0.000 1.114 52 F HN 0.168 nan 8.300 nan 0.000 0.576 53 G N -0.629 108.264 108.800 0.154 0.000 2.511 53 G HA2 -0.185 3.775 3.960 0.001 0.000 0.217 53 G HA3 -0.185 3.775 3.960 0.001 0.000 0.217 53 G C 0.729 175.652 174.900 0.038 0.000 1.133 53 G CA -0.192 44.960 45.100 0.085 0.000 0.792 53 G HN 0.292 nan 8.290 nan 0.000 0.539 54 N N 0.816 119.526 118.700 0.016 0.000 2.452 54 N HA 0.004 4.744 4.740 0.001 0.000 0.266 54 N C 0.169 175.685 175.510 0.010 0.000 1.209 54 N CA 0.414 53.462 53.050 -0.003 0.000 0.929 54 N CB 0.099 38.568 38.487 -0.031 0.000 1.063 54 N HN 0.371 nan 8.380 nan 0.000 0.472 55 E N -0.473 119.730 120.200 0.005 0.000 4.028 55 E HA -0.209 4.141 4.350 0.001 0.000 0.343 55 E C -0.437 176.166 176.600 0.004 0.000 0.700 55 E CA 0.501 56.904 56.400 0.005 0.000 1.288 55 E CB -1.288 28.417 29.700 0.009 0.000 1.677 55 E HN 0.756 nan 8.360 nan 0.000 0.424 56 A N 0.843 123.666 122.820 0.005 0.000 2.477 56 A HA 0.254 4.575 4.320 0.001 0.000 0.246 56 A C 1.495 179.062 177.584 -0.029 0.000 1.078 56 A CA 0.763 52.790 52.037 -0.015 0.000 0.770 56 A CB 0.290 19.280 19.000 -0.016 0.000 1.011 56 A HN 0.341 nan 8.150 nan 0.000 0.494 57 T N -0.647 113.880 114.554 -0.045 0.000 3.043 57 T HA 0.153 4.504 4.350 0.001 0.000 0.263 57 T C 0.550 175.223 174.700 -0.046 0.000 1.094 57 T CA 1.218 63.294 62.100 -0.038 0.000 1.127 57 T CB -0.161 68.686 68.868 -0.035 0.000 0.905 57 T HN 0.690 nan 8.240 nan 0.000 0.490 58 K N 0.283 120.639 120.400 -0.074 0.000 2.543 58 K HA 0.462 4.782 4.320 0.001 0.000 0.255 58 K C -1.633 174.903 176.600 -0.107 0.000 0.934 58 K CA -0.810 55.429 56.287 -0.080 0.000 0.810 58 K CB 1.788 34.233 32.500 -0.093 0.000 1.315 58 K HN 0.059 nan 8.250 nan 0.000 0.433 59 R N 4.133 124.590 120.500 -0.071 0.000 2.338 59 R HA 0.451 4.791 4.340 0.001 0.000 0.317 59 R C -0.447 175.820 176.300 -0.054 0.000 0.968 59 R CA -0.706 55.356 56.100 -0.064 0.000 0.849 59 R CB 1.045 31.337 30.300 -0.013 0.000 1.128 59 R HN 0.452 nan 8.270 nan 0.000 0.448 60 I N 5.025 125.546 120.570 -0.081 0.000 2.304 60 I HA 0.243 4.413 4.170 0.001 0.000 0.291 60 I C -2.070 174.124 176.117 0.128 0.000 1.018 60 I CA -2.417 58.880 61.300 -0.004 0.000 1.260 60 I CB 1.430 39.361 38.000 -0.115 0.000 1.390 60 I HN 0.224 nan 8.210 nan 0.000 0.475 61 P HA 0.147 nan 4.420 nan 0.000 0.269 61 P C -0.757 176.632 177.300 0.149 0.000 1.209 61 P CA -0.084 63.082 63.100 0.109 0.000 0.776 61 P CB 0.661 32.407 31.700 0.077 0.000 0.876 62 I N 2.357 122.993 120.570 0.109 0.000 2.389 62 I HA 0.315 4.486 4.170 0.001 0.000 0.288 62 I C 0.801 176.951 176.117 0.056 0.000 0.999 62 I CA -0.728 60.626 61.300 0.091 0.000 1.129 62 I CB 1.183 39.195 38.000 0.021 0.000 1.288 62 I HN 0.352 nan 8.210 nan 0.000 0.444 63 R N 5.288 125.837 120.500 0.083 0.000 2.491 63 R HA 0.086 4.426 4.340 0.001 0.000 0.283 63 R C 0.388 176.736 176.300 0.080 0.000 1.072 63 R CA -0.306 55.838 56.100 0.074 0.000 1.048 63 R CB 0.567 30.916 30.300 0.081 0.000 0.983 63 R HN 0.617 nan 8.270 nan 0.000 0.450 64 N N 4.968 123.710 118.700 0.070 0.000 2.468 64 N HA 0.036 4.777 4.740 0.001 0.000 0.265 64 N C -0.408 175.162 175.510 0.100 0.000 1.199 64 N CA 0.249 53.354 53.050 0.092 0.000 0.928 64 N CB 0.386 38.914 38.487 0.067 0.000 1.059 64 N HN 0.517 nan 8.380 nan 0.000 0.467 65 I N -0.786 119.863 120.570 0.132 0.000 3.108 65 I HA 0.414 4.584 4.170 0.001 0.000 0.312 65 I C -0.101 176.058 176.117 0.070 0.000 1.095 65 I CA -0.912 60.442 61.300 0.091 0.000 1.000 65 I CB 1.774 39.826 38.000 0.086 0.000 1.229 65 I HN 0.090 nan 8.210 nan 0.000 0.454 66 T N 4.317 118.892 114.554 0.035 0.000 2.779 66 T HA 0.394 4.744 4.350 0.001 0.000 0.296 66 T C 0.118 174.799 174.700 -0.032 0.000 0.938 66 T CA -0.179 61.926 62.100 0.009 0.000 1.119 66 T CB 0.020 68.893 68.868 0.008 0.000 0.891 66 T HN 0.291 nan 8.240 nan 0.000 0.526 67 L N 6.718 127.888 121.223 -0.087 0.000 2.426 67 L HA 0.317 4.658 4.340 0.001 0.000 0.271 67 L C -1.229 175.571 176.870 -0.117 0.000 1.169 67 L CA -1.669 53.035 54.840 -0.225 0.000 0.836 67 L CB 0.123 41.889 42.059 -0.488 0.000 1.112 67 L HN 0.456 nan 8.230 nan 0.000 0.465 68 P HA 0.106 nan 4.420 nan 0.000 0.279 68 P C -1.071 176.238 177.300 0.016 0.000 1.252 68 P CA -0.676 62.416 63.100 -0.013 0.000 0.811 68 P CB 0.729 32.437 31.700 0.014 0.000 1.035 69 N N 1.405 120.114 118.700 0.016 0.000 2.431 69 N HA 0.046 4.787 4.740 0.001 0.000 0.265 69 N C 0.363 175.889 175.510 0.027 0.000 1.184 69 N CA 0.123 53.189 53.050 0.027 0.000 0.943 69 N CB -0.402 38.094 38.487 0.014 0.000 1.080 69 N HN 0.339 nan 8.380 nan 0.000 0.477 70 L N 2.664 123.917 121.223 0.050 0.000 2.741 70 L HA 0.194 4.534 4.340 0.001 0.000 0.237 70 L C 1.489 178.360 176.870 0.002 0.000 1.178 70 L CA -0.049 54.805 54.840 0.023 0.000 0.973 70 L CB -0.006 42.077 42.059 0.039 0.000 1.255 70 L HN 0.587 nan 8.230 nan 0.000 0.498 71 E N 0.337 120.541 120.200 0.008 0.000 2.085 71 E HA -0.190 4.160 4.350 0.001 0.000 0.194 71 E C 2.118 178.715 176.600 -0.004 0.000 0.994 71 E CA 1.328 57.730 56.400 0.003 0.000 0.801 71 E CB 0.107 29.812 29.700 0.008 0.000 0.743 71 E HN 0.300 nan 8.360 nan 0.000 0.453 72 V N 1.614 121.523 119.914 -0.008 0.000 2.223 72 V HA -0.196 3.925 4.120 0.001 0.000 0.244 72 V C -0.886 175.198 176.094 -0.016 0.000 1.045 72 V CA 2.148 64.442 62.300 -0.009 0.000 1.000 72 V CB -1.482 30.336 31.823 -0.009 0.000 0.635 72 V HN 0.258 nan 8.190 nan 0.000 0.445 73 P HA -0.142 nan 4.420 nan 0.000 0.222 73 P C 1.679 178.953 177.300 -0.044 0.000 1.147 73 P CA 1.475 64.544 63.100 -0.051 0.000 0.790 73 P CB -0.167 31.479 31.700 -0.089 0.000 0.780 74 M N -0.891 118.689 119.600 -0.033 0.000 2.686 74 M HA -0.068 4.413 4.480 0.001 0.000 0.246 74 M C 1.900 178.192 176.300 -0.013 0.000 1.096 74 M CA 1.137 56.421 55.300 -0.026 0.000 1.076 74 M CB -0.536 32.045 32.600 -0.031 0.000 1.504 74 M HN 0.021 nan 8.290 nan 0.000 0.524 75 Q N 0.112 119.907 119.800 -0.009 0.000 2.297 75 Q HA -0.032 4.308 4.340 0.001 0.000 0.204 75 Q C 0.275 176.277 176.000 0.003 0.000 0.962 75 Q CA 0.421 56.225 55.803 0.002 0.000 0.879 75 Q CB 0.076 28.820 28.738 0.011 0.000 0.947 75 Q HN 0.316 nan 8.270 nan 0.000 0.462 76 L N 2.226 123.440 121.223 -0.016 0.000 2.361 76 L HA 0.239 4.580 4.340 0.001 0.000 0.278 76 L C -2.400 174.463 176.870 -0.011 0.000 1.113 76 L CA -2.061 52.760 54.840 -0.032 0.000 0.849 76 L CB 0.476 42.472 42.059 -0.104 0.000 1.155 76 L HN -0.186 nan 8.230 nan 0.000 0.452 77 P HA -0.089 nan 4.420 nan 0.000 0.264 77 P C 0.008 177.329 177.300 0.036 0.000 1.183 77 P CA 0.306 63.425 63.100 0.031 0.000 0.763 77 P CB 0.216 31.933 31.700 0.029 0.000 0.807 78 Y N 3.615 123.880 120.300 -0.058 0.000 2.241 78 Y HA -0.258 4.293 4.550 0.001 0.000 0.286 78 Y C 1.409 177.263 175.900 -0.075 0.000 1.166 78 Y CA 2.103 60.159 58.100 -0.074 0.000 1.203 78 Y CB -0.204 38.210 38.460 -0.076 0.000 0.977 78 Y HN 0.382 nan 8.280 nan 0.000 0.529 79 N N -0.486 118.228 118.700 0.024 0.000 2.453 79 N HA 0.116 4.857 4.740 0.001 0.000 0.270 79 N C -1.362 174.119 175.510 -0.050 0.000 1.195 79 N CA -0.098 52.932 53.050 -0.034 0.000 0.902 79 N CB -0.177 38.327 38.487 0.027 0.000 1.186 79 N HN 0.101 nan 8.380 nan 0.000 0.510 80 D N 0.042 120.412 120.400 -0.050 0.000 2.326 80 D HA 0.284 4.925 4.640 0.001 0.000 0.248 80 D C 0.026 176.338 176.300 0.020 0.000 1.001 80 D CA -0.293 53.686 54.000 -0.035 0.000 0.961 80 D CB 1.125 41.925 40.800 -0.000 0.000 1.183 80 D HN -0.011 nan 8.370 nan 0.000 0.502 81 Q N 0.410 120.163 119.800 -0.079 0.000 2.354 81 Q HA 0.279 4.620 4.340 0.001 0.000 0.244 81 Q C -0.767 175.402 176.000 0.282 0.000 0.969 81 Q CA -0.139 55.644 55.803 -0.034 0.000 0.885 81 Q CB 1.006 29.338 28.738 -0.678 0.000 1.241 81 Q HN 0.410 nan 8.270 nan 0.000 0.461 82 F N 0.632 120.724 119.950 0.235 0.000 2.482 82 F HA 0.463 4.991 4.527 0.001 0.000 0.331 82 F C -0.709 175.334 175.800 0.406 0.000 1.115 82 F CA -0.513 57.667 58.000 0.299 0.000 0.955 82 F CB 1.682 40.768 39.000 0.143 0.000 1.136 82 F HN 0.355 nan 8.300 nan 0.000 0.452 83 S N 5.890 121.430 115.700 -0.266 0.000 2.546 83 S HA 0.346 4.817 4.470 0.001 0.000 0.272 83 S C 0.140 174.271 174.600 -0.781 0.000 1.140 83 S CA -0.653 57.147 58.200 -0.666 0.000 0.920 83 S CB 1.421 64.349 63.200 -0.453 0.000 1.083 83 S HN 0.864 nan 8.310 nan 0.000 0.476 84 L N 4.179 124.852 121.223 -0.917 0.000 2.261 84 L HA 0.115 4.456 4.340 0.001 0.000 0.216 84 L C 1.410 178.162 176.870 -0.196 0.000 1.114 84 L CA 1.810 56.290 54.840 -0.600 0.000 0.777 84 L CB -0.638 40.968 42.059 -0.755 0.000 0.910 84 L HN 0.815 nan 8.230 nan 0.000 0.440 85 F N -1.305 118.573 119.950 -0.120 0.000 2.216 85 F HA -0.108 4.419 4.527 0.001 0.000 0.300 85 F C 1.321 177.039 175.800 -0.136 0.000 1.085 85 F CA 0.156 58.100 58.000 -0.094 0.000 1.326 85 F CB -1.063 37.775 39.000 -0.271 0.000 1.027 85 F HN -0.290 nan 8.300 nan 0.000 0.497 86 V N 2.484 122.339 119.914 -0.098 0.000 2.470 86 V HA 0.021 4.141 4.120 0.001 0.000 0.276 86 V C -1.229 174.813 176.094 -0.086 0.000 1.040 86 V CA -1.124 61.060 62.300 -0.193 0.000 1.008 86 V CB 0.999 32.455 31.823 -0.612 0.000 0.990 86 V HN -0.042 nan 8.190 nan 0.000 0.477 87 P HA -0.190 nan 4.420 nan 0.000 0.215 87 P C 1.676 179.018 177.300 0.069 0.000 1.157 87 P CA 1.273 64.397 63.100 0.040 0.000 0.874 87 P CB 0.219 31.933 31.700 0.023 0.000 0.790 88 K N -1.102 119.343 120.400 0.075 0.000 2.148 88 K HA -0.174 4.147 4.320 0.001 0.000 0.204 88 K C 2.013 178.767 176.600 0.256 0.000 1.050 88 K CA 1.172 57.546 56.287 0.145 0.000 0.942 88 K CB -0.369 32.220 32.500 0.148 0.000 0.724 88 K HN 0.340 nan 8.250 nan 0.000 0.446 89 H N -0.426 118.689 119.070 0.075 0.000 2.421 89 H HA -0.067 4.489 4.556 0.001 0.000 0.298 89 H C 2.113 177.516 175.328 0.125 0.000 1.087 89 H CA 0.825 56.954 56.048 0.135 0.000 1.330 89 H CB 0.207 29.980 29.762 0.017 0.000 1.388 89 H HN 0.181 nan 8.280 nan 0.000 0.526 90 R N 0.215 120.816 120.500 0.167 0.000 2.073 90 R HA -0.096 4.244 4.340 0.001 0.000 0.234 90 R C 2.405 178.758 176.300 0.088 0.000 1.134 90 R CA 1.808 57.960 56.100 0.087 0.000 0.952 90 R CB -0.476 29.870 30.300 0.077 0.000 0.850 90 R HN 0.201 nan 8.270 nan 0.000 0.433 91 T N 1.372 115.981 114.554 0.092 0.000 2.684 91 T HA -0.145 4.206 4.350 0.001 0.000 0.267 91 T C 1.917 176.647 174.700 0.051 0.000 1.036 91 T CA 1.559 63.696 62.100 0.062 0.000 1.148 91 T CB -0.103 68.801 68.868 0.060 0.000 0.863 91 T HN 0.190 nan 8.240 nan 0.000 0.436 92 M N 0.729 120.374 119.600 0.074 0.000 2.156 92 M HA 0.037 4.518 4.480 0.001 0.000 0.264 92 M C 2.845 179.152 176.300 0.012 0.000 1.067 92 M CA 1.379 56.700 55.300 0.036 0.000 1.131 92 M CB -0.421 32.200 32.600 0.036 0.000 1.368 92 M HN 0.293 nan 8.290 nan 0.000 0.416 93 A N 0.522 123.392 122.820 0.083 0.000 1.898 93 A HA -0.010 4.310 4.320 0.001 0.000 0.216 93 A C 2.386 179.982 177.584 0.021 0.000 1.181 93 A CA 1.784 53.865 52.037 0.074 0.000 0.620 93 A CB -0.900 18.257 19.000 0.263 0.000 0.819 93 A HN 0.473 nan 8.150 nan 0.000 0.442 94 A N 0.009 122.843 122.820 0.023 0.000 1.883 94 A HA -0.201 4.119 4.320 0.001 0.000 0.217 94 A C 2.080 179.631 177.584 -0.055 0.000 1.186 94 A CA 2.461 54.489 52.037 -0.015 0.000 0.624 94 A CB -0.462 18.535 19.000 -0.005 0.000 0.822 94 A HN 0.443 nan 8.150 nan 0.000 0.444 95 K N -0.481 119.885 120.400 -0.055 0.000 2.032 95 K HA -0.129 4.191 4.320 0.001 0.000 0.209 95 K C 1.755 178.260 176.600 -0.159 0.000 1.048 95 K CA 1.700 57.938 56.287 -0.081 0.000 0.927 95 K CB -0.599 31.865 32.500 -0.061 0.000 0.712 95 K HN 0.339 nan 8.250 nan 0.000 0.441 96 L N 0.589 121.678 121.223 -0.223 0.000 2.056 96 L HA 0.031 4.372 4.340 0.001 0.000 0.207 96 L C 1.985 178.493 176.870 -0.603 0.000 1.078 96 L CA 1.463 56.029 54.840 -0.458 0.000 0.749 96 L CB -0.371 41.406 42.059 -0.471 0.000 0.901 96 L HN 0.275 nan 8.230 nan 0.000 0.433 97 I N -0.348 120.027 120.570 -0.324 0.000 2.151 97 I HA -0.342 3.829 4.170 0.001 0.000 0.243 97 I C 2.215 178.259 176.117 -0.121 0.000 1.080 97 I CA 1.779 62.970 61.300 -0.182 0.000 1.339 97 I CB -0.545 37.396 38.000 -0.099 0.000 1.039 97 I HN 0.316 nan 8.210 nan 0.000 0.409 98 D N 1.080 121.411 120.400 -0.114 0.000 2.133 98 D HA -0.185 4.455 4.640 0.001 0.000 0.195 98 D C 2.114 178.383 176.300 -0.053 0.000 0.997 98 D CA 1.450 55.409 54.000 -0.069 0.000 0.840 98 D CB -0.080 40.683 40.800 -0.061 0.000 0.947 98 D HN 0.290 nan 8.370 nan 0.000 0.452 99 I N -0.324 120.181 120.570 -0.108 0.000 2.179 99 I HA -0.260 3.910 4.170 0.001 0.000 0.242 99 I C 1.899 178.070 176.117 0.091 0.000 1.088 99 I CA 0.570 61.836 61.300 -0.056 0.000 1.357 99 I CB -0.219 37.703 38.000 -0.131 0.000 1.051 99 I HN 0.011 nan 8.210 nan 0.000 0.409 100 F N 0.104 120.031 119.950 -0.039 0.000 2.134 100 F HA -0.213 4.314 4.527 0.001 0.000 0.299 100 F C 2.481 178.260 175.800 -0.035 0.000 1.097 100 F CA 1.142 59.112 58.000 -0.050 0.000 1.264 100 F CB -1.005 37.941 39.000 -0.089 0.000 1.001 100 F HN 0.063 nan 8.300 nan 0.000 0.479 101 M N -0.400 119.290 119.600 0.150 0.000 2.296 101 M HA -0.017 4.464 4.480 0.001 0.000 0.265 101 M C 2.413 178.747 176.300 0.056 0.000 1.064 101 M CA 1.356 56.700 55.300 0.073 0.000 1.109 101 M CB -1.998 30.617 32.600 0.026 0.000 1.396 101 M HN 0.182 nan 8.290 nan 0.000 0.430 102 G N -0.485 108.349 108.800 0.057 0.000 2.683 102 G HA2 0.032 3.993 3.960 0.001 0.000 0.213 102 G HA3 0.032 3.993 3.960 0.001 0.000 0.213 102 G C 0.799 175.729 174.900 0.049 0.000 1.142 102 G CA -0.132 44.992 45.100 0.041 0.000 0.793 102 G HN 0.220 nan 8.290 nan 0.000 0.534 103 M N 1.073 120.714 119.600 0.069 0.000 2.251 103 M HA 0.178 4.659 4.480 0.001 0.000 0.343 103 M C 1.257 177.585 176.300 0.046 0.000 1.245 103 M CA -0.087 55.250 55.300 0.062 0.000 1.061 103 M CB 0.435 33.078 32.600 0.071 0.000 1.723 103 M HN 0.030 nan 8.290 nan 0.000 0.449 104 R N 1.688 122.212 120.500 0.041 0.000 2.115 104 R HA -0.036 4.304 4.340 0.001 0.000 0.226 104 R C 0.055 176.375 176.300 0.034 0.000 1.100 104 R CA 0.980 57.101 56.100 0.034 0.000 0.980 104 R CB -0.593 29.726 30.300 0.032 0.000 0.875 104 R HN 0.871 nan 8.270 nan 0.000 0.445 105 D N -3.398 117.025 120.400 0.038 0.000 2.615 105 D HA 0.100 4.741 4.640 0.001 0.000 0.267 105 D C 0.706 177.032 176.300 0.043 0.000 1.236 105 D CA -0.724 53.299 54.000 0.038 0.000 0.839 105 D CB 0.766 41.589 40.800 0.038 0.000 1.380 105 D HN -0.290 nan 8.370 nan 0.000 0.433 106 V N 0.256 120.196 119.914 0.044 0.000 2.407 106 V HA -0.179 3.941 4.120 0.001 0.000 0.248 106 V C 1.910 178.046 176.094 0.071 0.000 1.055 106 V CA 2.056 64.386 62.300 0.052 0.000 1.049 106 V CB -0.885 30.970 31.823 0.053 0.000 0.662 106 V HN 0.560 nan 8.190 nan 0.000 0.455 107 E N 0.271 120.516 120.200 0.075 0.000 2.077 107 E HA -0.205 4.146 4.350 0.001 0.000 0.193 107 E C 1.927 178.581 176.600 0.090 0.000 0.989 107 E CA 1.491 57.946 56.400 0.091 0.000 0.800 107 E CB -0.343 29.407 29.700 0.082 0.000 0.746 107 E HN 0.568 nan 8.360 nan 0.000 0.452 108 D N -0.125 120.319 120.400 0.073 0.000 2.144 108 D HA -0.124 4.517 4.640 0.001 0.000 0.199 108 D C 1.845 178.183 176.300 0.064 0.000 0.984 108 D CA 0.511 54.554 54.000 0.072 0.000 0.834 108 D CB -0.229 40.607 40.800 0.060 0.000 0.955 108 D HN 0.078 nan 8.370 nan 0.000 0.465 109 L N 0.849 122.097 121.223 0.043 0.000 2.017 109 L HA -0.177 4.163 4.340 0.001 0.000 0.208 109 L C 2.252 179.106 176.870 -0.027 0.000 1.073 109 L CA 1.786 56.619 54.840 -0.011 0.000 0.745 109 L CB -0.708 41.331 42.059 -0.034 0.000 0.894 109 L HN -0.002 nan 8.230 nan 0.000 0.432 110 Q N -1.135 118.704 119.800 0.064 0.000 2.077 110 Q HA -0.278 4.063 4.340 0.001 0.000 0.206 110 Q C 2.370 178.437 176.000 0.111 0.000 0.989 110 Q CA 2.423 58.318 55.803 0.153 0.000 0.853 110 Q CB -0.306 28.564 28.738 0.220 0.000 0.907 110 Q HN 0.630 nan 8.270 nan 0.000 0.418 111 S N -0.894 114.882 115.700 0.126 0.000 2.356 111 S HA -0.124 4.347 4.470 0.001 0.000 0.223 111 S C 1.874 176.595 174.600 0.201 0.000 1.032 111 S CA 1.248 59.568 58.200 0.200 0.000 1.005 111 S CB -0.372 62.946 63.200 0.197 0.000 0.867 111 S HN 0.417 nan 8.310 nan 0.000 0.449 112 V N 0.906 120.878 119.914 0.096 0.000 2.427 112 V HA -0.139 3.982 4.120 0.001 0.000 0.248 112 V C 2.461 178.593 176.094 0.063 0.000 1.051 112 V CA 2.042 64.393 62.300 0.085 0.000 1.048 112 V CB -0.780 31.120 31.823 0.128 0.000 0.666 112 V HN 0.784 nan 8.190 nan 0.000 0.456 113 C N 0.656 119.871 119.300 -0.142 0.000 2.413 113 C HA -0.144 4.316 4.460 0.001 0.000 0.276 113 C C 3.204 177.904 174.990 -0.484 0.000 1.248 113 C CA 1.641 60.416 59.018 -0.405 0.000 1.742 113 C CB -1.251 25.916 27.740 -0.955 0.000 2.017 113 C HN 0.826 nan 8.230 nan 0.000 0.481 114 S N -0.149 115.399 115.700 -0.254 0.000 2.368 114 S HA -0.245 4.226 4.470 0.001 0.000 0.224 114 S C 1.779 176.363 174.600 -0.027 0.000 1.029 114 S CA 1.585 59.757 58.200 -0.048 0.000 0.988 114 S CB -1.002 62.258 63.200 0.100 0.000 0.838 114 S HN 0.658 nan 8.310 nan 0.000 0.462 115 Y N 1.745 121.919 120.300 -0.210 0.000 2.128 115 Y HA -0.172 4.378 4.550 0.001 0.000 0.284 115 Y C 2.608 178.336 175.900 -0.286 0.000 1.154 115 Y CA 1.141 58.953 58.100 -0.480 0.000 1.149 115 Y CB -0.993 36.959 38.460 -0.847 0.000 0.976 115 Y HN 0.410 nan 8.280 nan 0.000 0.505 116 C N 0.210 119.410 119.300 -0.166 0.000 2.440 116 C HA -0.157 4.303 4.460 0.001 0.000 0.278 116 C C 2.699 177.416 174.990 -0.455 0.000 1.295 116 C CA 1.157 60.069 59.018 -0.177 0.000 1.738 116 C CB -1.087 26.809 27.740 0.260 0.000 1.987 116 C HN 0.605 nan 8.230 nan 0.000 0.492 117 Q N 0.871 120.198 119.800 -0.788 0.000 2.135 117 Q HA -0.136 4.204 4.340 0.001 0.000 0.204 117 Q C 1.893 177.599 176.000 -0.490 0.000 0.981 117 Q CA 1.613 56.745 55.803 -1.118 0.000 0.856 117 Q CB -0.330 27.861 28.738 -0.912 0.000 0.902 117 Q HN 0.682 nan 8.270 nan 0.000 0.425 118 L N -0.385 120.628 121.223 -0.351 0.000 2.552 118 L HA -0.025 4.315 4.340 0.001 0.000 0.227 118 L C 2.050 178.766 176.870 -0.257 0.000 1.146 118 L CA 0.542 55.235 54.840 -0.246 0.000 0.858 118 L CB 0.043 41.988 42.059 -0.190 0.000 0.969 118 L HN 0.080 nan 8.230 nan 0.000 0.451 119 R N -1.489 118.872 120.500 -0.232 0.000 2.561 119 R HA 0.264 4.605 4.340 0.001 0.000 0.213 119 R C 0.097 176.413 176.300 0.027 0.000 0.885 119 R CA -0.282 55.703 56.100 -0.191 0.000 1.002 119 R CB 1.052 31.149 30.300 -0.338 0.000 1.432 119 R HN -0.009 nan 8.270 nan 0.000 0.651 120 I N 2.576 123.155 120.570 0.016 0.000 2.385 120 I HA 0.065 4.235 4.170 0.001 0.000 0.294 120 I C 0.306 176.383 176.117 -0.067 0.000 0.988 120 I CA -1.092 60.215 61.300 0.011 0.000 1.265 120 I CB 0.886 38.891 38.000 0.008 0.000 1.388 120 I HN 0.179 nan 8.210 nan 0.000 0.480 121 N N 8.030 126.632 118.700 -0.162 0.000 2.142 121 N HA -0.102 4.639 4.740 0.001 0.000 0.282 121 N C -1.798 173.518 175.510 -0.324 0.000 1.342 121 N CA -0.500 52.323 53.050 -0.379 0.000 0.831 121 N CB 1.011 39.377 38.487 -0.202 0.000 1.083 121 N HN 0.298 nan 8.380 nan 0.000 0.492 122 P HA -0.122 nan 4.420 nan 0.000 0.218 122 P C 0.592 177.907 177.300 0.024 0.000 1.148 122 P CA 1.304 64.283 63.100 -0.201 0.000 0.822 122 P CB 0.007 31.532 31.700 -0.292 0.000 0.784 123 Y N -1.534 118.710 120.300 -0.094 0.000 2.200 123 Y HA -0.065 4.485 4.550 0.001 0.000 0.290 123 Y C 2.646 178.505 175.900 -0.068 0.000 1.137 123 Y CA 0.933 58.990 58.100 -0.072 0.000 1.163 123 Y CB -1.271 37.162 38.460 -0.045 0.000 0.988 123 Y HN -0.095 nan 8.280 nan 0.000 0.518 124 M N -1.272 118.188 119.600 -0.234 0.000 2.175 124 M HA -0.192 4.288 4.480 0.001 0.000 0.264 124 M C 2.065 178.237 176.300 -0.213 0.000 1.063 124 M CA 1.615 56.441 55.300 -0.790 0.000 1.119 124 M CB -0.340 31.747 32.600 -0.855 0.000 1.377 124 M HN 0.267 nan 8.290 nan 0.000 0.415 125 F N 1.409 121.272 119.950 -0.145 0.000 2.095 125 F HA -0.289 4.238 4.527 0.001 0.000 0.298 125 F C 2.268 178.107 175.800 0.064 0.000 1.104 125 F CA 2.285 60.271 58.000 -0.023 0.000 1.232 125 F CB -0.832 38.135 39.000 -0.055 0.000 0.987 125 F HN 0.343 nan 8.300 nan 0.000 0.475 126 N N -0.420 118.372 118.700 0.154 0.000 2.043 126 N HA -0.324 4.416 4.740 0.001 0.000 0.193 126 N C 2.147 177.808 175.510 0.251 0.000 1.037 126 N CA 2.012 55.172 53.050 0.183 0.000 0.851 126 N CB -0.852 38.035 38.487 0.667 0.000 1.027 126 N HN 0.516 nan 8.380 nan 0.000 0.422 127 Y N 1.576 122.020 120.300 0.241 0.000 2.097 127 Y HA -0.215 4.336 4.550 0.001 0.000 0.282 127 Y C 2.823 178.767 175.900 0.073 0.000 1.152 127 Y CA 2.003 60.253 58.100 0.249 0.000 1.136 127 Y CB -0.733 37.902 38.460 0.291 0.000 0.975 127 Y HN 0.205 nan 8.280 nan 0.000 0.498 128 C N -0.393 118.915 119.300 0.013 0.000 2.440 128 C HA -0.110 4.351 4.460 0.001 0.000 0.278 128 C C 2.670 177.682 174.990 0.037 0.000 1.295 128 C CA 0.742 59.731 59.018 -0.048 0.000 1.738 128 C CB -1.561 26.136 27.740 -0.071 0.000 1.987 128 C HN 0.698 nan 8.230 nan 0.000 0.492 129 L N 1.508 122.691 121.223 -0.067 0.000 2.056 129 L HA -0.080 4.260 4.340 0.001 0.000 0.207 129 L C 2.508 179.332 176.870 -0.076 0.000 1.078 129 L CA 2.007 56.698 54.840 -0.248 0.000 0.749 129 L CB -0.951 40.665 42.059 -0.739 0.000 0.901 129 L HN 0.223 nan 8.230 nan 0.000 0.433 130 S N -0.915 114.786 115.700 0.001 0.000 2.359 130 S HA -0.175 4.295 4.470 0.001 0.000 0.224 130 S C 1.998 176.510 174.600 -0.145 0.000 1.035 130 S CA 1.493 59.710 58.200 0.029 0.000 1.018 130 S CB -0.599 62.659 63.200 0.097 0.000 0.876 130 S HN 0.356 nan 8.310 nan 0.000 0.448 131 V N 2.209 121.967 119.914 -0.260 0.000 2.332 131 V HA -0.249 3.871 4.120 0.001 0.000 0.248 131 V C 2.670 178.781 176.094 0.028 0.000 1.055 131 V CA 1.783 63.975 62.300 -0.181 0.000 1.038 131 V CB -1.321 30.304 31.823 -0.331 0.000 0.651 131 V HN 0.557 nan 8.190 nan 0.000 0.450 132 A N -0.176 122.650 122.820 0.009 0.000 1.902 132 A HA -0.168 4.153 4.320 0.001 0.000 0.217 132 A C 2.189 179.784 177.584 0.020 0.000 1.181 132 A CA 1.928 53.998 52.037 0.055 0.000 0.623 132 A CB -0.556 18.504 19.000 0.099 0.000 0.818 132 A HN 0.510 nan 8.150 nan 0.000 0.443 133 I N -0.351 120.206 120.570 -0.023 0.000 2.286 133 I HA -0.235 3.935 4.170 0.001 0.000 0.248 133 I C 2.072 178.135 176.117 -0.090 0.000 1.115 133 I CA 1.019 62.298 61.300 -0.036 0.000 1.392 133 I CB -0.207 37.789 38.000 -0.006 0.000 1.065 133 I HN 0.274 nan 8.210 nan 0.000 0.418 134 L N -0.501 120.624 121.223 -0.163 0.000 2.376 134 L HA -0.130 4.210 4.340 0.001 0.000 0.219 134 L C 2.053 178.632 176.870 -0.486 0.000 1.133 134 L CA 0.816 55.453 54.840 -0.338 0.000 0.816 134 L CB -0.464 41.298 42.059 -0.495 0.000 0.933 134 L HN 0.402 nan 8.230 nan 0.000 0.449 135 H N -1.460 117.554 119.070 -0.094 0.000 3.017 135 H HA 0.237 4.793 4.556 0.001 0.000 0.255 135 H C 0.534 175.836 175.328 -0.043 0.000 0.990 135 H CA -0.313 55.692 56.048 -0.072 0.000 1.205 135 H CB 0.661 30.374 29.762 -0.081 0.000 1.460 135 H HN 0.170 nan 8.280 nan 0.000 0.478 136 R N 2.434 122.970 120.500 0.059 0.000 2.522 136 R HA 0.008 4.349 4.340 0.001 0.000 0.284 136 R C -1.652 174.657 176.300 0.015 0.000 1.032 136 R CA -1.250 54.872 56.100 0.037 0.000 1.049 136 R CB 0.483 30.799 30.300 0.027 0.000 0.956 136 R HN 0.119 nan 8.270 nan 0.000 0.422 137 P HA -0.153 nan 4.420 nan 0.000 0.220 137 P C 0.228 177.532 177.300 0.006 0.000 1.148 137 P CA 1.145 64.250 63.100 0.008 0.000 0.803 137 P CB 0.144 31.852 31.700 0.012 0.000 0.782 138 D N -1.597 118.810 120.400 0.011 0.000 2.349 138 D HA -0.048 4.593 4.640 0.001 0.000 0.224 138 D C 0.720 177.025 176.300 0.009 0.000 1.029 138 D CA 0.731 54.739 54.000 0.012 0.000 0.879 138 D CB -1.266 39.545 40.800 0.019 0.000 0.906 138 D HN 0.194 nan 8.370 nan 0.000 0.528 139 T N -3.388 111.167 114.554 0.002 0.000 3.252 139 T HA 0.178 4.529 4.350 0.001 0.000 0.286 139 T C 0.574 175.265 174.700 -0.016 0.000 1.013 139 T CA -0.802 61.297 62.100 -0.002 0.000 0.914 139 T CB 0.314 69.181 68.868 -0.001 0.000 1.131 139 T HN -0.235 nan 8.240 nan 0.000 0.529 140 K N 1.676 122.066 120.400 -0.017 0.000 2.414 140 K HA 0.384 4.705 4.320 0.001 0.000 0.272 140 K C 1.484 178.073 176.600 -0.018 0.000 0.993 140 K CA 0.974 57.246 56.287 -0.024 0.000 0.964 140 K CB 0.242 32.730 32.500 -0.021 0.000 0.925 140 K HN 0.532 nan 8.250 nan 0.000 0.487 141 G N 0.965 109.753 108.800 -0.019 0.000 2.168 141 G HA2 -0.268 3.692 3.960 0.001 0.000 0.257 141 G HA3 -0.268 3.692 3.960 0.001 0.000 0.257 141 G C -0.289 174.600 174.900 -0.018 0.000 0.997 141 G CA 0.236 45.326 45.100 -0.017 0.000 0.708 141 G HN 0.401 nan 8.290 nan 0.000 0.520 142 L N 1.237 122.449 121.223 -0.017 0.000 2.282 142 L HA 0.794 5.135 4.340 0.001 0.000 0.288 142 L C 0.474 177.333 176.870 -0.019 0.000 1.033 142 L CA -0.375 54.450 54.840 -0.025 0.000 0.807 142 L CB 1.798 43.845 42.059 -0.021 0.000 1.209 142 L HN 0.180 nan 8.230 nan 0.000 0.423 143 S N 4.820 120.501 115.700 -0.031 0.000 2.585 143 S HA 0.583 5.054 4.470 0.001 0.000 0.277 143 S C -0.163 174.393 174.600 -0.072 0.000 1.241 143 S CA -0.845 57.361 58.200 0.010 0.000 1.041 143 S CB 0.489 63.686 63.200 -0.006 0.000 0.987 143 S HN 0.447 nan 8.310 nan 0.000 0.512 144 I N 5.001 125.575 120.570 0.007 0.000 2.396 144 I HA 0.275 4.445 4.170 0.001 0.000 0.289 144 I C -2.026 173.982 176.117 -0.183 0.000 1.056 144 I CA -2.430 58.734 61.300 -0.227 0.000 1.365 144 I CB 0.018 37.952 38.000 -0.109 0.000 1.407 144 I HN 0.455 nan 8.210 nan 0.000 0.509 145 P HA 0.006 nan 4.420 nan 0.000 0.264 145 P C -0.150 177.152 177.300 0.005 0.000 1.183 145 P CA 0.169 63.141 63.100 -0.212 0.000 0.763 145 P CB 0.180 31.715 31.700 -0.276 0.000 0.807 146 T N 3.968 118.562 114.554 0.067 0.000 2.800 146 T HA -0.106 4.245 4.350 0.001 0.000 0.283 146 T C 1.017 175.829 174.700 0.186 0.000 0.999 146 T CA 0.314 62.516 62.100 0.170 0.000 1.176 146 T CB -0.319 68.589 68.868 0.067 0.000 0.973 146 T HN 0.294 nan 8.240 nan 0.000 0.519 147 F N 3.464 123.509 119.950 0.158 0.000 2.161 147 F HA -0.127 4.400 4.527 0.001 0.000 0.300 147 F C 2.277 178.066 175.800 -0.017 0.000 1.089 147 F CA 1.670 59.730 58.000 0.100 0.000 1.282 147 F CB -0.497 38.497 39.000 -0.010 0.000 1.010 147 F HN 0.690 nan 8.300 nan 0.000 0.485 148 A N -0.431 122.243 122.820 -0.244 0.000 2.070 148 A HA -0.162 4.159 4.320 0.001 0.000 0.220 148 A C 2.023 179.471 177.584 -0.227 0.000 1.159 148 A CA 1.750 53.456 52.037 -0.552 0.000 0.656 148 A CB -0.678 17.791 19.000 -0.885 0.000 0.800 148 A HN 0.586 nan 8.150 nan 0.000 0.453 149 E N -1.228 118.886 120.200 -0.144 0.000 2.400 149 E HA -0.019 4.331 4.350 0.001 0.000 0.195 149 E C 1.601 178.125 176.600 -0.126 0.000 1.012 149 E CA 0.847 57.195 56.400 -0.085 0.000 0.875 149 E CB 0.082 29.753 29.700 -0.048 0.000 0.859 149 E HN 0.583 nan 8.360 nan 0.000 0.498 150 T N 0.410 114.834 114.554 -0.216 0.000 2.809 150 T HA -0.012 4.339 4.350 0.001 0.000 0.260 150 T C 0.346 174.634 174.700 -0.687 0.000 1.039 150 T CA 0.842 62.672 62.100 -0.449 0.000 1.141 150 T CB 0.022 68.597 68.868 -0.489 0.000 0.869 150 T HN 0.003 nan 8.240 nan 0.000 0.437 151 F N 1.492 121.287 119.950 -0.257 0.000 2.523 151 F HA 0.358 4.885 4.527 0.001 0.000 0.322 151 F C -1.954 173.826 175.800 -0.034 0.000 1.361 151 F CA -2.954 54.929 58.000 -0.196 0.000 1.151 151 F CB 1.310 40.120 39.000 -0.316 0.000 1.391 151 F HN -0.018 nan 8.300 nan 0.000 0.566 152 P HA -0.160 nan 4.420 nan 0.000 0.222 152 P C 0.882 178.422 177.300 0.400 0.000 1.147 152 P CA 1.299 64.574 63.100 0.292 0.000 0.790 152 P CB 0.069 31.948 31.700 0.298 0.000 0.780 153 D N 0.237 120.656 120.400 0.032 0.000 2.351 153 D HA -0.163 4.478 4.640 0.001 0.000 0.216 153 D C 1.437 177.794 176.300 0.095 0.000 0.968 153 D CA 0.914 54.886 54.000 -0.046 0.000 0.899 153 D CB -0.718 39.807 40.800 -0.459 0.000 0.907 153 D HN 0.173 nan 8.370 nan 0.000 0.514 154 K N -0.891 119.536 120.400 0.045 0.000 2.486 154 K HA 0.045 4.366 4.320 0.001 0.000 0.194 154 K C 0.219 176.448 176.600 -0.619 0.000 1.033 154 K CA 0.454 56.544 56.287 -0.328 0.000 1.004 154 K CB 0.025 32.220 32.500 -0.508 0.000 0.798 154 K HN 0.279 nan 8.250 nan 0.000 0.495 155 F N 0.219 120.206 119.950 0.061 0.000 2.798 155 F HA 0.290 4.817 4.527 0.001 0.000 0.328 155 F C 0.403 176.233 175.800 0.050 0.000 1.098 155 F CA -0.599 57.426 58.000 0.043 0.000 1.172 155 F CB 0.581 39.583 39.000 0.003 0.000 1.072 155 F HN -0.137 nan 8.300 nan 0.000 0.555 156 M N -1.980 117.748 119.600 0.212 0.000 2.603 156 M HA 0.385 4.865 4.480 0.001 0.000 0.275 156 M C -1.524 174.798 176.300 0.035 0.000 1.226 156 M CA -0.930 54.408 55.300 0.062 0.000 0.870 156 M CB 1.689 34.286 32.600 -0.006 0.000 1.716 156 M HN -0.255 nan 8.290 nan 0.000 0.482 157 D N 2.244 122.456 120.400 -0.313 0.000 2.583 157 D HA -0.012 4.628 4.640 0.001 0.000 0.232 157 D C 1.157 177.483 176.300 0.042 0.000 1.128 157 D CA 1.154 55.009 54.000 -0.242 0.000 0.859 157 D CB 1.169 41.650 40.800 -0.533 0.000 1.169 157 D HN 0.770 nan 8.370 nan 0.000 0.481 158 S N 3.775 119.591 115.700 0.193 0.000 2.440 158 S HA -0.208 4.262 4.470 0.001 0.000 0.238 158 S C 1.542 176.280 174.600 0.231 0.000 1.010 158 S CA 0.875 59.270 58.200 0.325 0.000 0.972 158 S CB -0.071 63.281 63.200 0.254 0.000 0.774 158 S HN 0.554 nan 8.310 nan 0.000 0.501 159 K N 0.787 121.234 120.400 0.079 0.000 2.283 159 K HA 0.040 4.361 4.320 0.001 0.000 0.202 159 K C 1.924 178.486 176.600 -0.063 0.000 1.048 159 K CA 1.039 57.342 56.287 0.026 0.000 0.948 159 K CB -0.471 32.032 32.500 0.005 0.000 0.742 159 K HN 0.291 nan 8.250 nan 0.000 0.458 160 V N 1.021 120.806 119.914 -0.216 0.000 2.332 160 V HA -0.261 3.860 4.120 0.001 0.000 0.248 160 V C 1.861 177.665 176.094 -0.483 0.000 1.055 160 V CA 1.855 63.889 62.300 -0.444 0.000 1.038 160 V CB -0.593 30.813 31.823 -0.695 0.000 0.651 160 V HN 0.185 nan 8.190 nan 0.000 0.450 161 F N -0.710 119.259 119.950 0.031 0.000 2.259 161 F HA -0.022 4.506 4.527 0.001 0.000 0.298 161 F C 2.138 177.966 175.800 0.045 0.000 1.088 161 F CA 0.822 58.848 58.000 0.044 0.000 1.358 161 F CB -0.885 38.151 39.000 0.060 0.000 1.040 161 F HN 0.034 nan 8.300 nan 0.000 0.505 162 L N 0.148 121.464 121.223 0.155 0.000 1.978 162 L HA -0.293 4.048 4.340 0.001 0.000 0.218 162 L C 2.752 179.658 176.870 0.059 0.000 1.075 162 L CA 1.733 56.632 54.840 0.099 0.000 0.767 162 L CB -0.649 41.453 42.059 0.071 0.000 0.890 162 L HN 0.104 nan 8.230 nan 0.000 0.434 163 R N -0.348 120.162 120.500 0.017 0.000 2.091 163 R HA -0.158 4.182 4.340 0.001 0.000 0.238 163 R C 2.333 178.637 176.300 0.007 0.000 1.136 163 R CA 1.416 57.516 56.100 -0.001 0.000 0.959 163 R CB -0.585 29.695 30.300 -0.034 0.000 0.856 163 R HN 0.407 nan 8.270 nan 0.000 0.437 164 A N 1.307 124.126 122.820 -0.001 0.000 1.902 164 A HA -0.172 4.149 4.320 0.001 0.000 0.217 164 A C 2.189 179.813 177.584 0.066 0.000 1.181 164 A CA 1.255 53.307 52.037 0.024 0.000 0.623 164 A CB -0.459 18.558 19.000 0.028 0.000 0.818 164 A HN 0.222 nan 8.150 nan 0.000 0.443 165 R N -0.324 120.233 120.500 0.095 0.000 2.096 165 R HA -0.166 4.175 4.340 0.001 0.000 0.235 165 R C 2.162 178.504 176.300 0.070 0.000 1.127 165 R CA 1.689 57.847 56.100 0.097 0.000 0.968 165 R CB -0.215 30.155 30.300 0.117 0.000 0.861 165 R HN 0.747 nan 8.270 nan 0.000 0.440 166 E N -0.318 119.916 120.200 0.057 0.000 2.047 166 E HA -0.155 4.195 4.350 0.001 0.000 0.191 166 E C 1.840 178.462 176.600 0.037 0.000 0.987 166 E CA 1.488 57.914 56.400 0.043 0.000 0.799 166 E CB 0.088 29.808 29.700 0.035 0.000 0.752 166 E HN 0.160 nan 8.360 nan 0.000 0.449 167 V N 0.582 120.515 119.914 0.032 0.000 2.287 167 V HA -0.284 3.836 4.120 0.001 0.000 0.248 167 V C 2.489 178.602 176.094 0.032 0.000 1.053 167 V CA 2.019 64.334 62.300 0.026 0.000 1.027 167 V CB -0.718 31.117 31.823 0.020 0.000 0.646 167 V HN 0.329 nan 8.190 nan 0.000 0.447 168 S N -0.310 115.414 115.700 0.040 0.000 2.382 168 S HA -0.196 4.275 4.470 0.001 0.000 0.228 168 S C 1.865 176.491 174.600 0.044 0.000 1.027 168 S CA 1.796 60.022 58.200 0.044 0.000 0.991 168 S CB -0.378 62.855 63.200 0.055 0.000 0.823 168 S HN 0.666 nan 8.310 nan 0.000 0.469 169 N N 0.051 118.779 118.700 0.047 0.000 2.368 169 N HA 0.065 4.805 4.740 0.001 0.000 0.176 169 N C 1.550 177.082 175.510 0.037 0.000 1.021 169 N CA 0.982 54.060 53.050 0.046 0.000 0.888 169 N CB 0.170 38.688 38.487 0.053 0.000 0.995 169 N HN 0.282 nan 8.380 nan 0.000 0.437 170 V N 0.603 120.537 119.914 0.033 0.000 2.672 170 V HA 0.065 4.186 4.120 0.001 0.000 0.242 170 V C 0.994 177.101 176.094 0.023 0.000 1.059 170 V CA 0.565 62.881 62.300 0.027 0.000 1.081 170 V CB 0.431 32.269 31.823 0.025 0.000 0.752 170 V HN -0.101 nan 8.190 nan 0.000 0.472 171 V N 3.843 123.771 119.914 0.023 0.000 2.153 171 V HA 0.137 4.258 4.120 0.001 0.000 0.250 171 V C 1.244 177.349 176.094 0.020 0.000 1.334 171 V CA 0.342 62.654 62.300 0.019 0.000 1.249 171 V CB -0.287 31.546 31.823 0.016 0.000 1.371 171 V HN 0.537 nan 8.190 nan 0.000 0.498 172 I N 0.725 121.307 120.570 0.019 0.000 3.578 172 I HA 0.299 4.469 4.170 0.001 0.000 0.295 172 I C 0.838 176.965 176.117 0.017 0.000 1.280 172 I CA 0.266 61.578 61.300 0.020 0.000 1.347 172 I CB 0.227 38.240 38.000 0.021 0.000 1.051 172 I HN 0.559 nan 8.210 nan 0.000 0.460 173 S N 0.043 115.751 115.700 0.014 0.000 2.547 173 S HA 0.750 5.221 4.470 0.001 0.000 0.270 173 S C -0.182 174.425 174.600 0.010 0.000 1.150 173 S CA 0.006 58.213 58.200 0.012 0.000 0.850 173 S CB 1.369 64.575 63.200 0.011 0.000 1.118 173 S HN 1.161 nan 8.310 nan 0.000 0.461 174 G N 1.563 110.368 108.800 0.009 0.000 2.782 174 G HA2 -0.024 3.936 3.960 0.001 0.000 0.228 174 G HA3 -0.024 3.936 3.960 0.001 0.000 0.228 174 G C -0.139 174.765 174.900 0.008 0.000 1.372 174 G CA -0.359 44.745 45.100 0.007 0.000 0.862 174 G HN 1.566 nan 8.290 nan 0.000 0.547 175 S N 0.167 115.871 115.700 0.006 0.000 2.572 175 S HA 0.477 4.948 4.470 0.001 0.000 0.279 175 S C 0.836 175.441 174.600 0.007 0.000 1.341 175 S CA 0.105 58.309 58.200 0.006 0.000 1.043 175 S CB 0.527 63.729 63.200 0.003 0.000 0.887 175 S HN 0.647 nan 8.310 nan 0.000 0.516 176 R N 1.187 121.692 120.500 0.008 0.000 2.589 176 R HA 0.461 4.802 4.340 0.001 0.000 0.293 176 R C -0.714 175.590 176.300 0.006 0.000 0.963 176 R CA -0.807 55.298 56.100 0.008 0.000 0.905 176 R CB 1.142 31.449 30.300 0.012 0.000 1.144 176 R HN 0.422 nan 8.270 nan 0.000 0.459 177 M N 2.710 122.312 119.600 0.003 0.000 2.274 177 M HA 0.309 4.789 4.480 0.001 0.000 0.344 177 M C -2.181 174.119 176.300 0.001 0.000 1.161 177 M CA -2.251 53.049 55.300 -0.000 0.000 1.126 177 M CB 0.861 33.459 32.600 -0.003 0.000 1.522 177 M HN 0.310 nan 8.290 nan 0.000 0.461 178 P HA 0.060 nan 4.420 nan 0.000 0.267 178 P C -1.150 176.147 177.300 -0.006 0.000 1.200 178 P CA -0.342 62.761 63.100 0.004 0.000 0.772 178 P CB 0.212 31.916 31.700 0.006 0.000 0.855 179 V N 4.071 123.977 119.914 -0.013 0.000 2.521 179 V HA 0.023 4.144 4.120 0.001 0.000 0.286 179 V C 0.724 176.798 176.094 -0.033 0.000 1.034 179 V CA -0.162 62.117 62.300 -0.035 0.000 1.045 179 V CB -0.230 31.553 31.823 -0.067 0.000 0.974 179 V HN 0.515 nan 8.190 nan 0.000 0.480 180 N N 3.729 122.407 118.700 -0.036 0.000 2.470 180 N HA 0.175 4.915 4.740 0.001 0.000 0.268 180 N C -0.448 175.033 175.510 -0.049 0.000 1.136 180 N CA -0.161 52.870 53.050 -0.030 0.000 0.961 180 N CB 1.674 40.143 38.487 -0.029 0.000 1.067 180 N HN 0.419 nan 8.380 nan 0.000 0.468 181 V N 5.336 125.236 119.914 -0.022 0.000 2.385 181 V HA 0.209 4.329 4.120 0.001 0.000 0.269 181 V C -1.696 174.376 176.094 -0.036 0.000 1.043 181 V CA -1.463 60.809 62.300 -0.047 0.000 0.906 181 V CB 1.035 32.871 31.823 0.022 0.000 0.995 181 V HN 0.545 nan 8.190 nan 0.000 0.467 182 P HA 0.173 nan 4.420 nan 0.000 0.271 182 P C 0.822 178.144 177.300 0.037 0.000 1.220 182 P CA 0.037 63.120 63.100 -0.029 0.000 0.768 182 P CB 1.698 33.378 31.700 -0.033 0.000 0.848 183 I N 2.224 122.833 120.570 0.065 0.000 2.480 183 I HA -0.042 4.129 4.170 0.001 0.000 0.251 183 I C 0.229 176.475 176.117 0.214 0.000 1.124 183 I CA 0.695 62.065 61.300 0.116 0.000 1.444 183 I CB 0.179 38.156 38.000 -0.038 0.000 1.098 183 I HN 0.300 nan 8.210 nan 0.000 0.428 184 N N 0.889 119.685 118.700 0.160 0.000 2.457 184 N HA 0.145 4.886 4.740 0.001 0.000 0.250 184 N C -0.458 175.204 175.510 0.255 0.000 0.982 184 N CA -0.168 52.982 53.050 0.166 0.000 0.941 184 N CB 1.169 39.699 38.487 0.072 0.000 1.120 184 N HN 0.325 nan 8.380 nan 0.000 0.505 185 Y N -0.785 119.546 120.300 0.051 0.000 2.449 185 Y HA 0.138 4.688 4.550 0.001 0.000 0.278 185 Y C 1.620 177.541 175.900 0.036 0.000 1.066 185 Y CA -0.128 57.994 58.100 0.038 0.000 1.166 185 Y CB -0.261 38.221 38.460 0.038 0.000 1.346 185 Y HN 0.269 nan 8.280 nan 0.000 0.562 186 T N -0.788 113.427 114.554 -0.564 0.000 3.014 186 T HA 0.662 5.013 4.350 0.001 0.000 0.263 186 T C 0.753 175.364 174.700 -0.148 0.000 1.078 186 T CA 0.675 62.531 62.100 -0.407 0.000 1.135 186 T CB -0.156 68.431 68.868 -0.468 0.000 0.895 186 T HN 0.644 nan 8.240 nan 0.000 0.480 187 A N 0.383 123.157 122.820 -0.076 0.000 2.602 187 A HA 0.642 4.963 4.320 0.001 0.000 0.290 187 A C -0.928 176.650 177.584 -0.009 0.000 1.114 187 A CA -0.930 51.090 52.037 -0.028 0.000 0.683 187 A CB 0.812 19.830 19.000 0.031 0.000 1.281 187 A HN 0.120 nan 8.150 nan 0.000 0.416 188 N N -0.415 118.280 118.700 -0.010 0.000 2.381 188 N HA 0.149 4.889 4.740 0.001 0.000 0.254 188 N C 1.479 177.002 175.510 0.022 0.000 1.264 188 N CA 0.771 53.823 53.050 0.002 0.000 0.942 188 N CB 1.479 39.959 38.487 -0.011 0.000 1.190 188 N HN 0.723 nan 8.380 nan 0.000 0.495 189 T N -0.640 113.930 114.554 0.026 0.000 2.760 189 T HA -0.187 4.163 4.350 0.001 0.000 0.269 189 T C 1.505 176.224 174.700 0.031 0.000 1.047 189 T CA 2.120 64.240 62.100 0.034 0.000 1.139 189 T CB -0.361 68.526 68.868 0.031 0.000 0.855 189 T HN 0.543 nan 8.240 nan 0.000 0.471 190 T N 0.368 114.935 114.554 0.022 0.000 3.215 190 T HA 0.112 4.462 4.350 0.001 0.000 0.254 190 T C 0.135 174.851 174.700 0.027 0.000 1.149 190 T CA 0.127 62.239 62.100 0.020 0.000 1.042 190 T CB -0.293 68.580 68.868 0.009 0.000 0.966 190 T HN 0.446 nan 8.240 nan 0.000 0.534 191 E N 1.103 121.324 120.200 0.036 0.000 2.102 191 E HA 0.353 4.703 4.350 0.001 0.000 0.263 191 E C -1.932 174.701 176.600 0.055 0.000 0.894 191 E CA -2.512 53.919 56.400 0.051 0.000 0.746 191 E CB 1.535 31.272 29.700 0.061 0.000 1.129 191 E HN 0.004 nan 8.360 nan 0.000 0.416 192 P HA -0.211 nan 4.420 nan 0.000 0.216 192 P C 0.596 177.921 177.300 0.043 0.000 1.154 192 P CA 1.086 64.210 63.100 0.041 0.000 0.865 192 P CB 0.343 32.064 31.700 0.034 0.000 0.789 193 E N -0.653 119.585 120.200 0.064 0.000 2.267 193 E HA -0.221 4.129 4.350 0.001 0.000 0.197 193 E C 1.959 178.607 176.600 0.080 0.000 0.998 193 E CA 0.942 57.388 56.400 0.075 0.000 0.830 193 E CB -0.459 29.313 29.700 0.121 0.000 0.751 193 E HN 0.318 nan 8.360 nan 0.000 0.491 194 Q N 1.172 121.023 119.800 0.085 0.000 2.291 194 Q HA -0.066 4.275 4.340 0.001 0.000 0.205 194 Q C 1.703 177.765 176.000 0.104 0.000 0.970 194 Q CA 1.056 56.914 55.803 0.092 0.000 0.876 194 Q CB -0.062 28.722 28.738 0.077 0.000 0.935 194 Q HN 0.140 nan 8.270 nan 0.000 0.455 195 R N -0.621 119.931 120.500 0.088 0.000 2.193 195 R HA -0.065 4.276 4.340 0.001 0.000 0.229 195 R C 1.380 177.782 176.300 0.169 0.000 1.110 195 R CA 1.388 57.559 56.100 0.119 0.000 0.988 195 R CB -0.058 30.281 30.300 0.064 0.000 0.871 195 R HN 0.330 nan 8.270 nan 0.000 0.458 196 V N -4.435 115.495 119.914 0.027 0.000 3.176 196 V HA 0.428 4.549 4.120 0.001 0.000 0.332 196 V C 1.522 177.514 176.094 -0.169 0.000 1.414 196 V CA 0.327 62.505 62.300 -0.205 0.000 1.133 196 V CB 0.599 32.217 31.823 -0.342 0.000 1.088 196 V HN 0.085 nan 8.190 nan 0.000 0.473 197 A N 1.554 124.396 122.820 0.038 0.000 1.986 197 A HA -0.204 4.117 4.320 0.001 0.000 0.220 197 A C 1.956 179.626 177.584 0.143 0.000 1.171 197 A CA 2.266 54.364 52.037 0.102 0.000 0.640 197 A CB -0.914 18.162 19.000 0.126 0.000 0.811 197 A HN 1.100 nan 8.150 nan 0.000 0.451 198 Y N -2.885 117.557 120.300 0.235 0.000 2.315 198 Y HA -0.094 4.457 4.550 0.001 0.000 0.288 198 Y C 1.879 177.995 175.900 0.359 0.000 1.154 198 Y CA 1.131 59.405 58.100 0.290 0.000 1.229 198 Y CB -0.754 37.923 38.460 0.361 0.000 0.980 198 Y HN 0.261 nan 8.280 nan 0.000 0.540 199 F N 1.363 121.062 119.950 -0.418 0.000 2.188 199 F HA 0.110 4.638 4.527 0.001 0.000 0.289 199 F C 2.419 178.220 175.800 0.003 0.000 1.082 199 F CA 0.968 58.869 58.000 -0.164 0.000 1.282 199 F CB -0.253 38.561 39.000 -0.311 0.000 1.060 199 F HN -0.230 nan 8.300 nan 0.000 0.493 200 R N 0.387 121.040 120.500 0.254 0.000 2.105 200 R HA -0.153 4.187 4.340 0.001 0.000 0.239 200 R C 1.426 177.779 176.300 0.089 0.000 1.135 200 R CA 1.901 58.114 56.100 0.188 0.000 0.967 200 R CB -0.482 29.905 30.300 0.145 0.000 0.861 200 R HN 0.435 nan 8.270 nan 0.000 0.442 201 E N 0.369 120.650 120.200 0.135 0.000 2.463 201 E HA -0.005 4.345 4.350 0.001 0.000 0.193 201 E C -0.608 176.111 176.600 0.198 0.000 1.041 201 E CA -0.278 56.231 56.400 0.183 0.000 0.879 201 E CB 0.280 30.139 29.700 0.264 0.000 0.997 201 E HN 0.213 nan 8.360 nan 0.000 0.478 202 D N 0.803 121.291 120.400 0.147 0.000 2.425 202 D HA -0.005 4.635 4.640 0.001 0.000 0.247 202 D C 0.931 177.311 176.300 0.133 0.000 1.147 202 D CA 0.026 54.132 54.000 0.176 0.000 0.879 202 D CB 0.801 41.679 40.800 0.130 0.000 1.179 202 D HN 0.021 nan 8.370 nan 0.000 0.456 203 I N 3.290 123.942 120.570 0.137 0.000 2.315 203 I HA -0.058 4.112 4.170 0.001 0.000 0.248 203 I C 1.900 178.047 176.117 0.050 0.000 1.117 203 I CA 1.423 62.769 61.300 0.078 0.000 1.404 203 I CB -0.116 37.769 38.000 -0.191 0.000 1.071 203 I HN 0.636 nan 8.210 nan 0.000 0.419 204 G N 0.921 109.763 108.800 0.069 0.000 2.422 204 G HA2 -0.202 3.759 3.960 0.001 0.000 0.218 204 G HA3 -0.202 3.759 3.960 0.001 0.000 0.218 204 G C 1.630 176.462 174.900 -0.114 0.000 1.146 204 G CA 0.866 45.965 45.100 -0.002 0.000 0.769 204 G HN 0.448 nan 8.290 nan 0.000 0.547 205 I N 0.683 121.107 120.570 -0.243 0.000 2.202 205 I HA -0.139 4.032 4.170 0.001 0.000 0.242 205 I C 2.524 178.642 176.117 0.002 0.000 1.091 205 I CA 1.091 62.170 61.300 -0.369 0.000 1.368 205 I CB -0.279 37.344 38.000 -0.627 0.000 1.058 205 I HN 0.126 nan 8.210 nan 0.000 0.410 206 N N 0.859 119.617 118.700 0.097 0.000 2.166 206 N HA -0.132 4.609 4.740 0.001 0.000 0.186 206 N C 1.891 177.661 175.510 0.433 0.000 1.019 206 N CA 1.039 54.245 53.050 0.260 0.000 0.856 206 N CB -0.158 38.499 38.487 0.284 0.000 0.993 206 N HN 0.226 nan 8.380 nan 0.000 0.426 207 L N -0.321 121.130 121.223 0.379 0.000 2.046 207 L HA -0.221 4.120 4.340 0.001 0.000 0.208 207 L C 2.338 179.450 176.870 0.404 0.000 1.077 207 L CA 1.349 56.389 54.840 0.332 0.000 0.747 207 L CB -0.468 41.702 42.059 0.185 0.000 0.896 207 L HN 0.362 nan 8.230 nan 0.000 0.432 208 H N -1.142 118.117 119.070 0.315 0.000 2.352 208 H HA -0.255 4.302 4.556 0.001 0.000 0.299 208 H C 2.354 177.953 175.328 0.452 0.000 1.097 208 H CA 2.147 58.426 56.048 0.386 0.000 1.311 208 H CB -0.170 29.763 29.762 0.285 0.000 1.377 208 H HN 0.313 nan 8.280 nan 0.000 0.504 209 H N -0.427 118.742 119.070 0.165 0.000 2.321 209 H HA -0.188 4.368 4.556 0.001 0.000 0.300 209 H C 2.224 177.764 175.328 0.352 0.000 1.087 209 H CA 1.550 57.706 56.048 0.179 0.000 1.319 209 H CB -0.602 29.284 29.762 0.207 0.000 1.379 209 H HN 0.668 nan 8.280 nan 0.000 0.501 210 W N 1.666 123.056 121.300 0.150 0.000 2.333 210 W HA -0.241 4.419 4.660 0.001 0.000 0.316 210 W C 1.812 178.349 176.519 0.030 0.000 1.215 210 W CA 1.919 59.272 57.345 0.013 0.000 1.278 210 W CB -0.716 28.669 29.460 -0.125 0.000 1.154 210 W HN 0.412 nan 8.180 nan 0.000 0.486 211 H N -1.973 117.186 119.070 0.148 0.000 2.389 211 H HA -0.188 4.369 4.556 0.001 0.000 0.299 211 H C 1.924 177.262 175.328 0.016 0.000 1.081 211 H CA 2.071 58.162 56.048 0.072 0.000 1.345 211 H CB -0.833 29.144 29.762 0.359 0.000 1.393 211 H HN 0.244 nan 8.280 nan 0.000 0.520 212 W N 1.359 122.644 121.300 -0.026 0.000 2.332 212 W HA -0.228 4.433 4.660 0.001 0.000 0.321 212 W C 2.223 178.683 176.519 -0.099 0.000 1.219 212 W CA 1.746 59.046 57.345 -0.076 0.000 1.277 212 W CB -0.264 28.994 29.460 -0.336 0.000 1.161 212 W HN 0.281 nan 8.180 nan 0.000 0.476 213 H N -0.285 118.926 119.070 0.235 0.000 2.456 213 H HA -0.161 4.396 4.556 0.001 0.000 0.296 213 H C 2.046 177.257 175.328 -0.195 0.000 1.079 213 H CA 1.703 57.806 56.048 0.091 0.000 1.322 213 H CB -0.712 29.071 29.762 0.034 0.000 1.388 213 H HN 0.260 nan 8.280 nan 0.000 0.538 214 L N 0.339 121.392 121.223 -0.283 0.000 2.093 214 L HA -0.083 4.257 4.340 0.001 0.000 0.208 214 L C 2.219 178.898 176.870 -0.318 0.000 1.085 214 L CA 1.092 55.699 54.840 -0.387 0.000 0.755 214 L CB -0.369 41.328 42.059 -0.603 0.000 0.904 214 L HN -0.064 nan 8.230 nan 0.000 0.435 215 V N -1.494 118.210 119.914 -0.350 0.000 2.878 215 V HA -0.090 4.031 4.120 0.001 0.000 0.250 215 V C 0.158 175.791 176.094 -0.768 0.000 1.075 215 V CA 0.688 62.687 62.300 -0.502 0.000 1.096 215 V CB -0.421 31.120 31.823 -0.470 0.000 0.724 215 V HN 0.386 nan 8.190 nan 0.000 0.467 216 Y N 1.235 121.233 120.300 -0.504 0.000 2.638 216 Y HA 0.400 4.951 4.550 0.001 0.000 0.367 216 Y C -2.318 173.442 175.900 -0.232 0.000 1.001 216 Y CA -3.260 54.543 58.100 -0.495 0.000 1.133 216 Y CB 0.174 37.989 38.460 -1.074 0.000 1.199 216 Y HN 0.201 nan 8.280 nan 0.000 0.642 217 P HA 0.003 nan 4.420 nan 0.000 0.271 217 P C 0.522 177.825 177.300 0.006 0.000 1.218 217 P CA -0.174 62.888 63.100 -0.064 0.000 0.780 217 P CB 0.796 32.421 31.700 -0.126 0.000 0.901 218 F N -1.007 119.000 119.950 0.095 0.000 2.743 218 F HA 0.377 4.905 4.527 0.001 0.000 0.297 218 F C 0.080 175.899 175.800 0.031 0.000 1.131 218 F CA 0.020 58.059 58.000 0.066 0.000 1.426 218 F CB -0.072 38.968 39.000 0.068 0.000 1.116 218 F HN 0.024 nan 8.300 nan 0.000 0.583 219 D N -0.429 119.814 120.400 -0.262 0.000 2.661 219 D HA 0.499 5.139 4.640 0.001 0.000 0.228 219 D C -1.045 175.161 176.300 -0.157 0.000 1.210 219 D CA -0.107 53.825 54.000 -0.113 0.000 0.826 219 D CB 2.476 43.237 40.800 -0.065 0.000 1.542 219 D HN 0.069 nan 8.370 nan 0.000 0.447 220 S N -0.775 114.879 115.700 -0.077 0.000 2.815 220 S HA 0.571 5.041 4.470 0.001 0.000 0.296 220 S C -0.114 174.453 174.600 -0.055 0.000 1.224 220 S CA 0.396 58.552 58.200 -0.073 0.000 0.938 220 S CB 0.676 63.804 63.200 -0.120 0.000 1.285 220 S HN 0.360 nan 8.310 nan 0.000 0.549 221 A N 0.485 123.261 122.820 -0.074 0.000 2.067 221 A HA 0.288 4.608 4.320 0.001 0.000 0.217 221 A C 0.483 178.033 177.584 -0.057 0.000 1.156 221 A CA 1.043 53.043 52.037 -0.062 0.000 0.683 221 A CB -0.306 18.650 19.000 -0.074 0.000 0.808 221 A HN 0.637 nan 8.150 nan 0.000 0.455 222 D N -2.060 118.296 120.400 -0.073 0.000 2.947 222 D HA 0.280 4.921 4.640 0.001 0.000 0.224 222 D C 0.287 176.552 176.300 -0.058 0.000 1.230 222 D CA -0.556 53.409 54.000 -0.058 0.000 0.871 222 D CB 1.160 41.921 40.800 -0.064 0.000 1.671 222 D HN 0.049 nan 8.370 nan 0.000 0.507 223 R N 0.524 121.006 120.500 -0.030 0.000 2.200 223 R HA -0.127 4.213 4.340 0.001 0.000 0.234 223 R C 2.057 178.343 176.300 -0.024 0.000 1.127 223 R CA 1.671 57.761 56.100 -0.017 0.000 0.989 223 R CB -0.042 30.258 30.300 0.000 0.000 0.869 223 R HN 0.434 nan 8.270 nan 0.000 0.459 224 S N 0.446 116.125 115.700 -0.035 0.000 2.423 224 S HA -0.068 4.403 4.470 0.001 0.000 0.231 224 S C 1.931 176.497 174.600 -0.056 0.000 1.014 224 S CA 0.708 58.891 58.200 -0.030 0.000 0.965 224 S CB -0.256 62.931 63.200 -0.022 0.000 0.785 224 S HN 0.231 nan 8.310 nan 0.000 0.495 225 I N 1.352 121.843 120.570 -0.132 0.000 2.252 225 I HA -0.101 4.069 4.170 0.001 0.000 0.245 225 I C 2.345 178.389 176.117 -0.122 0.000 1.102 225 I CA 0.924 62.081 61.300 -0.238 0.000 1.385 225 I CB -0.379 37.359 38.000 -0.436 0.000 1.064 225 I HN 0.216 nan 8.210 nan 0.000 0.414 226 V N 0.301 120.172 119.914 -0.072 0.000 2.453 226 V HA -0.182 3.938 4.120 0.001 0.000 0.247 226 V C 1.263 177.379 176.094 0.038 0.000 1.048 226 V CA 1.270 63.565 62.300 -0.008 0.000 1.049 226 V CB -0.836 30.996 31.823 0.014 0.000 0.672 226 V HN 0.412 nan 8.190 nan 0.000 0.457 227 N N 1.691 120.407 118.700 0.027 0.000 3.193 227 N HA 0.026 4.766 4.740 0.001 0.000 0.312 227 N C -0.058 175.492 175.510 0.067 0.000 1.261 227 N CA 0.155 53.233 53.050 0.047 0.000 1.208 227 N CB -0.288 38.217 38.487 0.031 0.000 1.471 227 N HN 0.251 nan 8.380 nan 0.000 0.548 228 K N 0.187 120.652 120.400 0.109 0.000 2.106 228 K HA 0.153 4.474 4.320 0.001 0.000 0.246 228 K C -0.473 176.229 176.600 0.171 0.000 0.987 228 K CA -0.724 55.653 56.287 0.149 0.000 0.904 228 K CB 0.602 33.223 32.500 0.202 0.000 1.071 228 K HN 0.289 nan 8.250 nan 0.000 0.453 229 D N 0.938 121.445 120.400 0.178 0.000 2.434 229 D HA 0.004 4.645 4.640 0.001 0.000 0.252 229 D C -0.182 176.196 176.300 0.130 0.000 1.185 229 D CA 0.541 54.628 54.000 0.145 0.000 0.886 229 D CB 0.199 41.089 40.800 0.149 0.000 1.148 229 D HN 0.424 nan 8.370 nan 0.000 0.483 230 R N 1.401 121.944 120.500 0.070 0.000 3.516 230 R HA -0.277 4.064 4.340 0.001 0.000 0.271 230 R C 1.112 177.413 176.300 0.002 0.000 1.098 230 R CA 1.001 57.109 56.100 0.013 0.000 0.732 230 R CB -1.419 28.854 30.300 -0.045 0.000 1.152 230 R HN 0.558 nan 8.270 nan 0.000 0.455 231 R N -1.230 119.300 120.500 0.050 0.000 2.148 231 R HA -0.010 4.331 4.340 0.001 0.000 0.227 231 R C 2.011 178.394 176.300 0.138 0.000 1.103 231 R CA 1.594 57.714 56.100 0.033 0.000 0.983 231 R CB -0.531 29.844 30.300 0.125 0.000 0.874 231 R HN 0.231 nan 8.270 nan 0.000 0.451 232 G N 0.975 109.840 108.800 0.109 0.000 2.421 232 G HA2 -0.334 3.627 3.960 0.001 0.000 0.216 232 G HA3 -0.334 3.627 3.960 0.001 0.000 0.216 232 G C 1.424 176.386 174.900 0.103 0.000 1.171 232 G CA 0.764 45.934 45.100 0.116 0.000 0.775 232 G HN 0.548 nan 8.290 nan 0.000 0.543 233 E N -0.400 119.815 120.200 0.026 0.000 2.106 233 E HA -0.087 4.264 4.350 0.001 0.000 0.192 233 E C 2.381 179.015 176.600 0.058 0.000 0.984 233 E CA 0.609 57.012 56.400 0.005 0.000 0.806 233 E CB -0.172 29.495 29.700 -0.055 0.000 0.750 233 E HN 0.295 nan 8.360 nan 0.000 0.458 234 L N 0.437 121.683 121.223 0.038 0.000 2.093 234 L HA -0.078 4.263 4.340 0.001 0.000 0.208 234 L C 2.023 178.982 176.870 0.147 0.000 1.085 234 L CA 1.450 56.345 54.840 0.092 0.000 0.755 234 L CB -0.730 41.367 42.059 0.063 0.000 0.904 234 L HN 0.245 nan 8.230 nan 0.000 0.435 235 F N -0.655 119.389 119.950 0.156 0.000 2.043 235 F HA -0.368 4.159 4.527 0.001 0.000 0.297 235 F C 2.532 178.314 175.800 -0.031 0.000 1.121 235 F CA 2.310 60.349 58.000 0.065 0.000 1.199 235 F CB -0.869 38.275 39.000 0.240 0.000 0.968 235 F HN 0.326 nan 8.300 nan 0.000 0.478 236 Y N -0.279 119.871 120.300 -0.250 0.000 2.069 236 Y HA -0.369 4.181 4.550 0.001 0.000 0.278 236 Y C 2.302 178.019 175.900 -0.304 0.000 1.175 236 Y CA 2.396 60.170 58.100 -0.543 0.000 1.134 236 Y CB -1.526 36.368 38.460 -0.942 0.000 0.965 236 Y HN 0.316 nan 8.280 nan 0.000 0.498 237 Y N 0.112 119.956 120.300 -0.760 0.000 2.220 237 Y HA -0.185 4.365 4.550 0.001 0.000 0.291 237 Y C 2.700 178.181 175.900 -0.698 0.000 1.129 237 Y CA 1.936 59.529 58.100 -0.845 0.000 1.161 237 Y CB -0.573 37.639 38.460 -0.414 0.000 0.997 237 Y HN 0.285 nan 8.280 nan 0.000 0.522 238 M N -0.327 118.829 119.600 -0.739 0.000 2.159 238 M HA -0.249 4.231 4.480 0.001 0.000 0.263 238 M C 1.459 177.146 176.300 -1.022 0.000 1.063 238 M CA 2.130 56.828 55.300 -1.003 0.000 1.110 238 M CB -0.853 31.085 32.600 -1.104 0.000 1.374 238 M HN 0.459 nan 8.290 nan 0.000 0.411 239 H N -0.760 117.826 119.070 -0.807 0.000 2.436 239 H HA -0.030 4.527 4.556 0.001 0.000 0.294 239 H C 2.121 177.155 175.328 -0.491 0.000 1.048 239 H CA 1.476 57.145 56.048 -0.632 0.000 1.353 239 H CB -0.048 29.288 29.762 -0.710 0.000 1.414 239 H HN 0.426 nan 8.280 nan 0.000 0.536 240 Q N 0.786 120.294 119.800 -0.486 0.000 2.084 240 Q HA -0.193 4.148 4.340 0.001 0.000 0.202 240 Q C 1.617 177.354 176.000 -0.439 0.000 0.978 240 Q CA 1.437 56.986 55.803 -0.423 0.000 0.844 240 Q CB 0.160 28.535 28.738 -0.605 0.000 0.898 240 Q HN 0.543 nan 8.270 nan 0.000 0.426 241 Q N 0.024 119.395 119.800 -0.714 0.000 2.123 241 Q HA -0.032 4.309 4.340 0.001 0.000 0.199 241 Q C 2.321 178.021 176.000 -0.500 0.000 0.966 241 Q CA 0.725 56.106 55.803 -0.703 0.000 0.845 241 Q CB -0.147 27.850 28.738 -1.235 0.000 0.907 241 Q HN 0.468 nan 8.270 nan 0.000 0.439 242 I N 0.650 120.956 120.570 -0.440 0.000 2.163 242 I HA -0.289 3.881 4.170 0.001 0.000 0.243 242 I C 2.081 178.277 176.117 0.133 0.000 1.085 242 I CA 0.910 62.174 61.300 -0.060 0.000 1.347 242 I CB -0.238 37.822 38.000 0.099 0.000 1.044 242 I HN 0.163 nan 8.210 nan 0.000 0.408 243 I N 0.707 121.307 120.570 0.050 0.000 2.252 243 I HA -0.148 4.022 4.170 0.001 0.000 0.245 243 I C 2.697 178.850 176.117 0.060 0.000 1.102 243 I CA 1.574 62.956 61.300 0.138 0.000 1.385 243 I CB -1.984 36.064 38.000 0.079 0.000 1.064 243 I HN 0.229 nan 8.210 nan 0.000 0.414 244 G N 0.897 109.667 108.800 -0.051 0.000 2.459 244 G HA2 -0.272 3.688 3.960 0.001 0.000 0.217 244 G HA3 -0.272 3.688 3.960 0.001 0.000 0.217 244 G C 1.917 176.777 174.900 -0.067 0.000 1.183 244 G CA 0.575 45.627 45.100 -0.079 0.000 0.776 244 G HN 0.293 nan 8.290 nan 0.000 0.552 245 R N -1.155 119.314 120.500 -0.051 0.000 2.083 245 R HA -0.117 4.223 4.340 0.001 0.000 0.237 245 R C 2.368 178.575 176.300 -0.155 0.000 1.137 245 R CA 1.542 57.644 56.100 0.004 0.000 0.951 245 R CB -0.600 29.782 30.300 0.136 0.000 0.851 245 R HN 0.484 nan 8.270 nan 0.000 0.434 246 Y N 2.010 122.077 120.300 -0.389 0.000 2.145 246 Y HA -0.205 4.346 4.550 0.001 0.000 0.286 246 Y C 1.904 177.509 175.900 -0.492 0.000 1.145 246 Y CA 1.412 59.035 58.100 -0.795 0.000 1.148 246 Y CB -0.343 37.785 38.460 -0.553 0.000 0.981 246 Y HN 0.023 nan 8.280 nan 0.000 0.507 247 N N -0.013 118.535 118.700 -0.253 0.000 2.104 247 N HA -0.182 4.558 4.740 0.001 0.000 0.190 247 N C 1.958 177.308 175.510 -0.266 0.000 1.024 247 N CA 1.765 54.652 53.050 -0.272 0.000 0.853 247 N CB -0.591 37.824 38.487 -0.120 0.000 1.008 247 N HN 0.318 nan 8.380 nan 0.000 0.424 248 V N 1.810 121.601 119.914 -0.206 0.000 2.407 248 V HA -0.153 3.967 4.120 0.001 0.000 0.248 248 V C 2.193 178.120 176.094 -0.278 0.000 1.055 248 V CA 1.398 63.601 62.300 -0.162 0.000 1.049 248 V CB -0.337 31.450 31.823 -0.060 0.000 0.662 248 V HN 0.260 nan 8.190 nan 0.000 0.455 249 E N 0.344 120.336 120.200 -0.346 0.000 2.047 249 E HA -0.173 4.177 4.350 0.001 0.000 0.191 249 E C 2.410 178.773 176.600 -0.396 0.000 0.987 249 E CA 1.025 57.207 56.400 -0.363 0.000 0.799 249 E CB -0.295 29.097 29.700 -0.513 0.000 0.752 249 E HN 0.580 nan 8.360 nan 0.000 0.449 250 R N 0.240 120.423 120.500 -0.527 0.000 2.096 250 R HA -0.080 4.261 4.340 0.001 0.000 0.240 250 R C 2.532 178.672 176.300 -0.268 0.000 1.139 250 R CA 1.724 57.560 56.100 -0.440 0.000 0.952 250 R CB -0.348 29.634 30.300 -0.531 0.000 0.854 250 R HN 0.192 nan 8.270 nan 0.000 0.436 251 M N -0.286 119.173 119.600 -0.234 0.000 2.229 251 M HA -0.159 4.321 4.480 0.001 0.000 0.264 251 M C 2.317 178.511 176.300 -0.178 0.000 1.063 251 M CA 1.059 56.281 55.300 -0.130 0.000 1.114 251 M CB -0.202 32.385 32.600 -0.021 0.000 1.387 251 M HN 0.269 nan 8.290 nan 0.000 0.420 252 C N 0.685 119.746 119.300 -0.399 0.000 2.437 252 C HA -0.099 4.362 4.460 0.001 0.000 0.283 252 C C 1.350 176.204 174.990 -0.226 0.000 1.424 252 C CA 0.908 59.632 59.018 -0.490 0.000 1.782 252 C CB -1.696 25.693 27.740 -0.585 0.000 1.833 252 C HN 0.564 nan 8.230 nan 0.000 0.532 253 N N -0.698 117.906 118.700 -0.160 0.000 2.282 253 N HA 0.320 5.061 4.740 0.001 0.000 0.240 253 N C 1.041 176.516 175.510 -0.058 0.000 1.182 253 N CA 0.682 53.680 53.050 -0.085 0.000 0.874 253 N CB 0.605 39.062 38.487 -0.049 0.000 1.126 253 N HN 0.376 nan 8.380 nan 0.000 0.516 254 G N 0.516 109.283 108.800 -0.056 0.000 2.155 254 G HA2 -0.277 3.684 3.960 0.001 0.000 0.257 254 G HA3 -0.277 3.684 3.960 0.001 0.000 0.257 254 G C -0.175 174.703 174.900 -0.038 0.000 0.983 254 G CA 0.095 45.178 45.100 -0.029 0.000 0.676 254 G HN 0.243 nan 8.290 nan 0.000 0.528 255 L N 1.007 122.187 121.223 -0.072 0.000 2.334 255 L HA 0.527 4.868 4.340 0.001 0.000 0.275 255 L C -1.583 175.237 176.870 -0.083 0.000 1.036 255 L CA -2.489 52.304 54.840 -0.078 0.000 0.807 255 L CB 1.418 43.404 42.059 -0.122 0.000 1.231 255 L HN -0.108 nan 8.230 nan 0.000 0.438 256 P HA 0.076 nan 4.420 nan 0.000 0.272 256 P C -1.027 176.224 177.300 -0.081 0.000 1.240 256 P CA -0.498 62.570 63.100 -0.053 0.000 0.791 256 P CB 0.402 32.086 31.700 -0.027 0.000 0.978 257 Q N -0.308 119.449 119.800 -0.071 0.000 2.428 257 Q HA 0.110 4.450 4.340 0.001 0.000 0.276 257 Q C 0.133 176.113 176.000 -0.034 0.000 1.059 257 Q CA -0.243 55.514 55.803 -0.076 0.000 0.923 257 Q CB 0.256 28.961 28.738 -0.054 0.000 1.283 257 Q HN 0.230 nan 8.270 nan 0.000 0.447 258 V N 2.566 122.479 119.914 -0.003 0.000 2.617 258 V HA -0.073 4.047 4.120 0.001 0.000 0.304 258 V C -0.219 175.919 176.094 0.073 0.000 1.040 258 V CA 0.574 62.927 62.300 0.089 0.000 1.149 258 V CB 0.249 32.221 31.823 0.249 0.000 0.914 258 V HN 0.577 nan 8.190 nan 0.000 0.487 259 K N 8.838 129.286 120.400 0.080 0.000 2.234 259 K HA 0.402 4.723 4.320 0.001 0.000 0.282 259 K C -2.388 174.263 176.600 0.086 0.000 1.039 259 K CA -1.487 54.840 56.287 0.068 0.000 0.928 259 K CB 0.924 33.465 32.500 0.068 0.000 1.039 259 K HN 0.550 nan 8.250 nan 0.000 0.470 260 P HA -0.051 nan 4.420 nan 0.000 0.271 260 P C -0.757 176.612 177.300 0.115 0.000 1.218 260 P CA -0.155 62.998 63.100 0.087 0.000 0.780 260 P CB 0.417 32.162 31.700 0.075 0.000 0.901 261 F N 2.882 122.811 119.950 -0.035 0.000 2.541 261 F HA 0.120 4.648 4.527 0.001 0.000 0.351 261 F C 1.263 176.894 175.800 -0.281 0.000 1.209 261 F CA 0.024 57.988 58.000 -0.061 0.000 1.277 261 F CB -0.342 38.706 39.000 0.081 0.000 1.632 261 F HN 0.222 nan 8.300 nan 0.000 0.619 262 S N -0.026 115.329 115.700 -0.574 0.000 2.517 262 S HA 0.066 4.537 4.470 0.001 0.000 0.214 262 S C 0.284 174.127 174.600 -1.261 0.000 0.991 262 S CA -0.215 57.455 58.200 -0.882 0.000 0.906 262 S CB -0.076 62.953 63.200 -0.285 0.000 0.789 262 S HN 0.479 nan 8.310 nan 0.000 0.513 263 D N 0.878 120.629 120.400 -1.080 0.000 2.454 263 D HA 0.342 4.983 4.640 0.001 0.000 0.225 263 D C -0.160 175.450 176.300 -1.150 0.000 1.081 263 D CA -1.049 52.406 54.000 -0.908 0.000 0.864 263 D CB 0.193 40.721 40.800 -0.454 0.000 1.040 263 D HN 0.079 nan 8.370 nan 0.000 0.517 264 F N 1.410 120.857 119.950 -0.839 0.000 2.604 264 F HA 0.013 4.541 4.527 0.001 0.000 0.298 264 F C 2.318 177.868 175.800 -0.417 0.000 1.131 264 F CA 0.133 57.592 58.000 -0.902 0.000 1.457 264 F CB -0.336 38.136 39.000 -0.881 0.000 1.095 264 F HN 0.279 nan 8.300 nan 0.000 0.574 265 S N -0.624 115.067 115.700 -0.015 0.000 2.548 265 S HA 0.365 4.835 4.470 0.001 0.000 0.215 265 S C 1.191 175.806 174.600 0.025 0.000 0.976 265 S CA 0.072 58.329 58.200 0.095 0.000 0.908 265 S CB -0.287 63.001 63.200 0.145 0.000 0.781 265 S HN 0.214 nan 8.310 nan 0.000 0.519 266 A N 2.820 125.584 122.820 -0.092 0.000 2.351 266 A HA 0.526 4.847 4.320 0.001 0.000 0.257 266 A C -2.570 175.115 177.584 0.168 0.000 1.087 266 A CA -1.360 50.674 52.037 -0.004 0.000 0.798 266 A CB -0.269 18.671 19.000 -0.100 0.000 1.033 266 A HN 0.096 nan 8.150 nan 0.000 0.488 267 P HA 0.182 nan 4.420 nan 0.000 0.268 267 P C -0.791 176.633 177.300 0.206 0.000 1.205 267 P CA 0.278 63.469 63.100 0.152 0.000 0.771 267 P CB 0.293 32.058 31.700 0.108 0.000 0.858 268 I N 2.928 123.576 120.570 0.130 0.000 2.281 268 I HA 0.075 4.246 4.170 0.001 0.000 0.293 268 I C 1.138 177.323 176.117 0.112 0.000 1.085 268 I CA 0.011 61.365 61.300 0.090 0.000 1.257 268 I CB 0.541 38.464 38.000 -0.129 0.000 1.430 268 I HN 0.347 nan 8.210 nan 0.000 0.489 269 E N 3.086 123.372 120.200 0.142 0.000 2.150 269 E HA -0.144 4.206 4.350 0.001 0.000 0.193 269 E C -0.003 176.680 176.600 0.139 0.000 0.985 269 E CA 1.024 57.502 56.400 0.129 0.000 0.814 269 E CB 0.009 29.780 29.700 0.119 0.000 0.752 269 E HN 0.512 nan 8.360 nan 0.000 0.466 270 E N 0.667 120.961 120.200 0.156 0.000 2.052 270 E HA 0.341 4.691 4.350 0.001 0.000 0.283 270 E C 0.130 176.843 176.600 0.189 0.000 1.071 270 E CA -0.107 56.399 56.400 0.177 0.000 0.851 270 E CB 1.150 30.963 29.700 0.188 0.000 1.066 270 E HN 0.201 nan 8.360 nan 0.000 0.396 271 G N 2.027 110.955 108.800 0.213 0.000 2.616 271 G HA2 0.284 4.244 3.960 0.001 0.000 0.268 271 G HA3 0.284 4.244 3.960 0.001 0.000 0.268 271 G C -1.244 173.840 174.900 0.308 0.000 1.213 271 G CA -0.093 45.138 45.100 0.217 0.000 0.926 271 G HN 0.449 nan 8.290 nan 0.000 0.523 272 Y N -0.727 119.578 120.300 0.008 0.000 2.399 272 Y HA 0.511 5.062 4.550 0.001 0.000 0.327 272 Y C -1.694 174.151 175.900 -0.093 0.000 1.111 272 Y CA -1.738 56.401 58.100 0.063 0.000 1.047 272 Y CB 1.402 39.891 38.460 0.048 0.000 1.259 272 Y HN 0.398 nan 8.280 nan 0.000 0.434 273 F N 8.511 128.166 119.950 -0.491 0.000 2.311 273 F HA 0.404 4.931 4.527 0.001 0.000 0.371 273 F C -1.672 173.755 175.800 -0.622 0.000 1.083 273 F CA -1.827 55.962 58.000 -0.351 0.000 1.113 273 F CB 1.379 40.289 39.000 -0.150 0.000 1.349 273 F HN 0.380 nan 8.300 nan 0.000 0.470 274 P HA -0.158 nan 4.420 nan 0.000 0.221 274 P C -0.154 177.117 177.300 -0.049 0.000 1.150 274 P CA 0.915 63.789 63.100 -0.376 0.000 0.800 274 P CB 0.195 31.843 31.700 -0.088 0.000 0.787 275 K N -1.184 119.257 120.400 0.069 0.000 3.069 275 K HA -0.142 4.178 4.320 0.001 0.000 0.267 275 K C -0.190 176.551 176.600 0.236 0.000 1.082 275 K CA 0.193 56.595 56.287 0.192 0.000 0.782 275 K CB -2.009 30.652 32.500 0.268 0.000 1.230 275 K HN 0.298 nan 8.250 nan 0.000 0.488 276 L N -0.073 121.270 121.223 0.200 0.000 2.334 276 L HA 0.518 4.859 4.340 0.001 0.000 0.272 276 L C -0.048 177.039 176.870 0.362 0.000 1.020 276 L CA -0.994 53.975 54.840 0.215 0.000 0.812 276 L CB 1.488 43.521 42.059 -0.043 0.000 1.264 276 L HN 0.012 nan 8.230 nan 0.000 0.439 277 D N 0.213 120.812 120.400 0.333 0.000 2.738 277 D HA 0.370 5.010 4.640 0.001 0.000 0.237 277 D C -1.211 175.234 176.300 0.241 0.000 1.123 277 D CA -0.209 53.957 54.000 0.277 0.000 0.856 277 D CB 2.305 43.218 40.800 0.189 0.000 1.552 277 D HN 0.334 nan 8.370 nan 0.000 0.480 278 S N 2.285 118.084 115.700 0.165 0.000 2.456 278 S HA 0.243 4.713 4.470 0.001 0.000 0.316 278 S C 0.778 175.410 174.600 0.053 0.000 1.089 278 S CA -0.357 57.928 58.200 0.141 0.000 1.101 278 S CB 1.354 64.624 63.200 0.116 0.000 0.995 278 S HN 0.487 nan 8.310 nan 0.000 0.468 279 Q N 2.997 122.812 119.800 0.024 0.000 2.046 279 Q HA -0.077 4.264 4.340 0.001 0.000 0.200 279 Q C 2.033 178.026 176.000 -0.011 0.000 0.975 279 Q CA 1.664 57.473 55.803 0.010 0.000 0.836 279 Q CB -0.321 28.412 28.738 -0.008 0.000 0.896 279 Q HN 0.734 nan 8.270 nan 0.000 0.428 280 V N 1.182 121.039 119.914 -0.096 0.000 2.282 280 V HA -0.309 3.811 4.120 0.001 0.000 0.249 280 V C 2.137 178.141 176.094 -0.150 0.000 1.057 280 V CA 2.045 64.191 62.300 -0.257 0.000 1.032 280 V CB -0.886 30.440 31.823 -0.828 0.000 0.645 280 V HN 0.439 nan 8.190 nan 0.000 0.447 281 A N -1.655 121.118 122.820 -0.078 0.000 2.208 281 A HA 0.087 4.407 4.320 0.001 0.000 0.209 281 A C 1.497 179.053 177.584 -0.048 0.000 1.161 281 A CA 0.935 52.930 52.037 -0.071 0.000 0.782 281 A CB -0.298 18.629 19.000 -0.122 0.000 0.816 281 A HN 0.660 nan 8.150 nan 0.000 0.477 282 S N -0.621 115.068 115.700 -0.018 0.000 3.550 282 S HA -0.201 4.270 4.470 0.001 0.000 0.372 282 S C 0.143 174.740 174.600 -0.005 0.000 0.966 282 S CA 1.227 59.430 58.200 0.005 0.000 1.229 282 S CB -1.198 62.014 63.200 0.020 0.000 0.917 282 S HN 1.173 nan 8.310 nan 0.000 0.496 283 R N -1.073 119.414 120.500 -0.020 0.000 2.687 283 R HA 0.495 4.835 4.340 0.001 0.000 0.265 283 R C -0.559 175.729 176.300 -0.021 0.000 1.048 283 R CA -0.523 55.562 56.100 -0.026 0.000 0.884 283 R CB 0.070 30.333 30.300 -0.061 0.000 1.258 283 R HN 0.252 nan 8.270 nan 0.000 0.469 284 T N -1.145 113.426 114.554 0.028 0.000 2.868 284 T HA 0.331 4.682 4.350 0.001 0.000 0.292 284 T C -0.184 174.561 174.700 0.075 0.000 1.028 284 T CA -0.499 61.663 62.100 0.103 0.000 1.059 284 T CB 0.505 69.453 68.868 0.134 0.000 0.991 284 T HN 0.440 nan 8.240 nan 0.000 0.531 285 W N 2.687 123.995 121.300 0.012 0.000 2.216 285 W HA 0.359 5.020 4.660 0.001 0.000 0.326 285 W C -1.868 174.616 176.519 -0.057 0.000 1.319 285 W CA -1.787 55.550 57.345 -0.012 0.000 1.213 285 W CB -0.048 29.422 29.460 0.017 0.000 1.171 285 W HN 0.529 nan 8.180 nan 0.000 0.557 286 P HA 0.148 nan 4.420 nan 0.000 0.275 286 P C -2.279 174.899 177.300 -0.203 0.000 1.228 286 P CA -1.157 61.847 63.100 -0.160 0.000 0.786 286 P CB 0.566 31.990 31.700 -0.460 0.000 0.927 287 P HA 0.331 nan 4.420 nan 0.000 0.279 287 P C -0.630 176.355 177.300 -0.525 0.000 1.276 287 P CA -0.522 62.319 63.100 -0.431 0.000 0.801 287 P CB 1.211 32.546 31.700 -0.608 0.000 1.127 288 R N 0.969 121.195 120.500 -0.458 0.000 2.409 288 R HA 0.395 4.736 4.340 0.001 0.000 0.313 288 R C -0.564 175.616 176.300 -0.199 0.000 0.953 288 R CA -0.642 55.269 56.100 -0.315 0.000 0.849 288 R CB 0.327 30.535 30.300 -0.153 0.000 1.171 288 R HN 0.212 nan 8.270 nan 0.000 0.458 289 F N 1.944 121.747 119.950 -0.245 0.000 2.450 289 F HA 0.242 4.770 4.527 0.001 0.000 0.339 289 F C 1.173 176.983 175.800 0.017 0.000 1.146 289 F CA -1.041 56.906 58.000 -0.089 0.000 1.267 289 F CB 0.375 39.390 39.000 0.025 0.000 1.178 289 F HN 0.569 nan 8.300 nan 0.000 0.585 290 A N 1.379 124.377 122.820 0.297 0.000 2.540 290 A HA 0.416 4.736 4.320 0.001 0.000 0.239 290 A C 1.199 178.884 177.584 0.168 0.000 1.061 290 A CA 0.530 52.688 52.037 0.202 0.000 0.758 290 A CB -0.785 18.323 19.000 0.180 0.000 0.991 290 A HN 1.701 nan 8.150 nan 0.000 0.502 291 G N 1.731 110.610 108.800 0.132 0.000 2.157 291 G HA2 -0.200 3.760 3.960 0.001 0.000 0.248 291 G HA3 -0.200 3.760 3.960 0.001 0.000 0.248 291 G C 0.514 175.479 174.900 0.108 0.000 0.979 291 G CA 0.374 45.542 45.100 0.115 0.000 0.650 291 G HN 1.139 nan 8.290 nan 0.000 0.529 292 S N -0.595 115.163 115.700 0.097 0.000 2.584 292 S HA 0.566 5.036 4.470 0.001 0.000 0.270 292 S C 0.664 175.307 174.600 0.071 0.000 1.346 292 S CA 0.244 58.489 58.200 0.074 0.000 1.018 292 S CB 1.766 64.984 63.200 0.030 0.000 0.899 292 S HN 1.566 nan 8.310 nan 0.000 0.542 293 V N 0.075 120.049 119.914 0.100 0.000 2.864 293 V HA 0.653 4.773 4.120 0.001 0.000 0.314 293 V C -0.594 175.651 176.094 0.252 0.000 1.073 293 V CA -1.204 61.190 62.300 0.156 0.000 0.956 293 V CB 0.825 32.736 31.823 0.148 0.000 1.023 293 V HN 0.593 nan 8.190 nan 0.000 0.435 294 F N 2.507 122.478 119.950 0.035 0.000 2.608 294 F HA 0.436 4.963 4.527 0.001 0.000 0.380 294 F C 1.039 176.892 175.800 0.088 0.000 1.083 294 F CA 0.184 58.206 58.000 0.038 0.000 1.266 294 F CB -0.146 38.838 39.000 -0.027 0.000 1.076 294 F HN 0.542 nan 8.300 nan 0.000 0.574 295 R N 2.249 122.900 120.500 0.252 0.000 2.686 295 R HA 0.300 4.640 4.340 0.001 0.000 0.286 295 R C -0.570 175.853 176.300 0.204 0.000 0.969 295 R CA -1.311 54.897 56.100 0.179 0.000 0.898 295 R CB 1.419 31.776 30.300 0.096 0.000 1.183 295 R HN 0.459 nan 8.270 nan 0.000 0.456 296 N N 2.223 121.024 118.700 0.168 0.000 2.292 296 N HA -0.063 4.677 4.740 0.001 0.000 0.258 296 N C -0.506 174.999 175.510 -0.009 0.000 1.261 296 N CA 0.719 53.850 53.050 0.136 0.000 0.845 296 N CB 0.375 38.901 38.487 0.066 0.000 1.064 296 N HN 0.340 nan 8.380 nan 0.000 0.471 297 L N 1.559 122.706 121.223 -0.127 0.000 2.307 297 L HA 0.340 4.680 4.340 0.001 0.000 0.282 297 L C 0.290 177.039 176.870 -0.202 0.000 1.051 297 L CA -0.393 54.284 54.840 -0.271 0.000 0.804 297 L CB 1.035 42.783 42.059 -0.518 0.000 1.197 297 L HN 0.402 nan 8.230 nan 0.000 0.431 298 D N 2.851 123.130 120.400 -0.202 0.000 2.527 298 D HA 0.189 4.829 4.640 0.001 0.000 0.242 298 D C -0.756 175.434 176.300 -0.182 0.000 1.285 298 D CA -0.451 53.452 54.000 -0.161 0.000 0.886 298 D CB 0.634 41.369 40.800 -0.108 0.000 1.402 298 D HN 0.350 nan 8.370 nan 0.000 0.528 299 R N 1.996 122.354 120.500 -0.236 0.000 2.312 299 R HA 0.299 4.640 4.340 0.001 0.000 0.310 299 R C 1.095 177.274 176.300 -0.200 0.000 1.064 299 R CA -0.396 55.540 56.100 -0.274 0.000 0.983 299 R CB 1.102 31.108 30.300 -0.489 0.000 1.139 299 R HN 0.124 nan 8.270 nan 0.000 0.536 300 T N 0.816 115.297 114.554 -0.122 0.000 2.665 300 T HA -0.183 4.167 4.350 0.001 0.000 0.268 300 T C 2.045 176.701 174.700 -0.074 0.000 1.035 300 T CA 2.106 64.161 62.100 -0.075 0.000 1.151 300 T CB -0.071 68.775 68.868 -0.037 0.000 0.862 300 T HN 0.520 nan 8.240 nan 0.000 0.438 301 V N 0.980 120.838 119.914 -0.094 0.000 2.469 301 V HA -0.144 3.977 4.120 0.001 0.000 0.251 301 V C 1.614 177.666 176.094 -0.070 0.000 1.064 301 V CA 1.983 64.237 62.300 -0.077 0.000 1.066 301 V CB -0.645 31.119 31.823 -0.099 0.000 0.667 301 V HN 0.271 nan 8.190 nan 0.000 0.461 302 D N -0.387 119.926 120.400 -0.144 0.000 2.340 302 D HA 0.083 4.724 4.640 0.001 0.000 0.220 302 D C 1.107 177.365 176.300 -0.069 0.000 1.039 302 D CA 0.455 54.392 54.000 -0.107 0.000 0.866 302 D CB -0.151 40.536 40.800 -0.188 0.000 0.913 302 D HN 0.720 nan 8.370 nan 0.000 0.523 303 Q N -0.126 119.636 119.800 -0.065 0.000 2.435 303 Q HA -0.179 4.162 4.340 0.001 0.000 0.312 303 Q C -0.617 175.347 176.000 -0.061 0.000 1.333 303 Q CA 0.155 55.931 55.803 -0.046 0.000 0.883 303 Q CB -1.475 27.259 28.738 -0.007 0.000 1.170 303 Q HN 0.129 nan 8.270 nan 0.000 0.443 304 V N 0.579 120.427 119.914 -0.110 0.000 2.448 304 V HA 0.645 4.766 4.120 0.001 0.000 0.295 304 V C -0.675 175.325 176.094 -0.155 0.000 1.025 304 V CA -0.342 61.879 62.300 -0.132 0.000 0.859 304 V CB 1.874 33.595 31.823 -0.169 0.000 0.988 304 V HN 0.272 nan 8.190 nan 0.000 0.431 305 K N 7.077 127.403 120.400 -0.122 0.000 2.656 305 K HA 0.656 4.976 4.320 0.001 0.000 0.253 305 K C -1.843 174.702 176.600 -0.092 0.000 1.002 305 K CA -0.488 55.730 56.287 -0.115 0.000 0.880 305 K CB 1.556 34.009 32.500 -0.079 0.000 1.232 305 K HN 0.771 nan 8.250 nan 0.000 0.456 306 I N 2.470 122.972 120.570 -0.113 0.000 2.752 306 I HA 0.275 4.446 4.170 0.001 0.000 0.290 306 I C -1.756 174.384 176.117 0.037 0.000 1.507 306 I CA -0.592 60.671 61.300 -0.062 0.000 1.038 306 I CB 1.854 39.815 38.000 -0.065 0.000 1.390 306 I HN 0.626 nan 8.210 nan 0.000 0.435 307 D N 5.274 125.703 120.400 0.048 0.000 2.253 307 D HA 0.270 4.911 4.640 0.001 0.000 0.249 307 D C 1.212 177.589 176.300 0.127 0.000 1.049 307 D CA -0.396 53.666 54.000 0.103 0.000 0.929 307 D CB 2.352 43.167 40.800 0.024 0.000 1.176 307 D HN 0.305 nan 8.370 nan 0.000 0.437 308 V N 2.035 122.004 119.914 0.092 0.000 2.380 308 V HA -0.295 3.826 4.120 0.001 0.000 0.251 308 V C 2.482 178.565 176.094 -0.018 0.000 1.063 308 V CA 1.858 64.065 62.300 -0.155 0.000 1.055 308 V CB -0.474 31.346 31.823 -0.003 0.000 0.657 308 V HN 0.575 nan 8.190 nan 0.000 0.455 309 R N 0.232 120.791 120.500 0.098 0.000 2.119 309 R HA -0.294 4.046 4.340 0.001 0.000 0.246 309 R C 2.369 178.688 176.300 0.032 0.000 1.146 309 R CA 2.184 58.377 56.100 0.155 0.000 0.962 309 R CB -0.299 30.026 30.300 0.042 0.000 0.863 309 R HN 0.364 nan 8.270 nan 0.000 0.442 310 K N 0.560 120.850 120.400 -0.184 0.000 2.113 310 K HA -0.147 4.173 4.320 0.001 0.000 0.208 310 K C 1.797 177.999 176.600 -0.663 0.000 1.047 310 K CA 1.533 57.516 56.287 -0.505 0.000 0.928 310 K CB -0.307 31.783 32.500 -0.684 0.000 0.716 310 K HN 0.244 nan 8.250 nan 0.000 0.446 311 L N -0.912 120.026 121.223 -0.474 0.000 2.056 311 L HA -0.127 4.214 4.340 0.001 0.000 0.207 311 L C 2.089 178.888 176.870 -0.119 0.000 1.078 311 L CA 1.111 55.687 54.840 -0.439 0.000 0.749 311 L CB -0.490 40.992 42.059 -0.962 0.000 0.901 311 L HN 0.081 nan 8.230 nan 0.000 0.433 312 F N 0.334 120.363 119.950 0.132 0.000 2.134 312 F HA -0.219 4.308 4.527 0.001 0.000 0.299 312 F C 2.710 178.593 175.800 0.138 0.000 1.097 312 F CA 1.758 59.910 58.000 0.253 0.000 1.264 312 F CB -1.194 37.881 39.000 0.124 0.000 1.001 312 F HN -0.006 nan 8.300 nan 0.000 0.479 313 T N -0.911 113.744 114.554 0.168 0.000 2.652 313 T HA -0.232 4.118 4.350 0.001 0.000 0.267 313 T C 1.714 176.513 174.700 0.166 0.000 1.039 313 T CA 1.635 63.770 62.100 0.059 0.000 1.153 313 T CB -0.510 68.281 68.868 -0.127 0.000 0.863 313 T HN 0.233 nan 8.240 nan 0.000 0.428 314 W N 2.036 123.376 121.300 0.067 0.000 2.358 314 W HA 0.079 4.740 4.660 0.001 0.000 0.303 314 W C 2.575 179.258 176.519 0.273 0.000 1.208 314 W CA 0.104 57.499 57.345 0.082 0.000 1.274 314 W CB -1.047 28.491 29.460 0.130 0.000 1.138 314 W HN 0.230 nan 8.180 nan 0.000 0.515 315 R N 0.738 121.589 120.500 0.583 0.000 2.080 315 R HA -0.175 4.166 4.340 0.001 0.000 0.236 315 R C 1.629 178.197 176.300 0.447 0.000 1.137 315 R CA 2.221 58.675 56.100 0.591 0.000 0.943 315 R CB -0.579 30.095 30.300 0.623 0.000 0.846 315 R HN -0.032 nan 8.270 nan 0.000 0.431 316 D N 0.498 121.102 120.400 0.340 0.000 2.123 316 D HA -0.169 4.471 4.640 0.001 0.000 0.196 316 D C 2.079 178.509 176.300 0.218 0.000 0.992 316 D CA 1.230 55.375 54.000 0.241 0.000 0.833 316 D CB -0.241 40.670 40.800 0.184 0.000 0.954 316 D HN 0.404 nan 8.370 nan 0.000 0.455 317 Q N -0.782 119.134 119.800 0.194 0.000 2.096 317 Q HA -0.149 4.192 4.340 0.001 0.000 0.204 317 Q C 2.066 178.183 176.000 0.195 0.000 0.982 317 Q CA 0.913 56.804 55.803 0.146 0.000 0.850 317 Q CB -0.186 28.522 28.738 -0.050 0.000 0.901 317 Q HN 0.279 nan 8.270 nan 0.000 0.422 318 F N 0.652 120.777 119.950 0.291 0.000 2.102 318 F HA -0.191 4.336 4.527 0.001 0.000 0.298 318 F C 2.056 177.929 175.800 0.121 0.000 1.105 318 F CA 1.091 59.196 58.000 0.176 0.000 1.239 318 F CB -0.410 38.640 39.000 0.083 0.000 0.991 318 F HN 0.025 nan 8.300 nan 0.000 0.474 319 L N -0.450 120.962 121.223 0.315 0.000 2.083 319 L HA -0.211 4.129 4.340 0.001 0.000 0.209 319 L C 2.416 179.386 176.870 0.168 0.000 1.083 319 L CA 1.667 56.628 54.840 0.203 0.000 0.752 319 L CB -0.739 41.422 42.059 0.169 0.000 0.899 319 L HN 0.227 nan 8.230 nan 0.000 0.433 320 E N 0.645 120.950 120.200 0.175 0.000 2.072 320 E HA -0.216 4.134 4.350 0.001 0.000 0.191 320 E C 2.270 178.958 176.600 0.146 0.000 0.985 320 E CA 1.120 57.607 56.400 0.146 0.000 0.801 320 E CB 0.029 29.817 29.700 0.146 0.000 0.750 320 E HN 0.423 nan 8.360 nan 0.000 0.452 321 A N 1.077 124.005 122.820 0.178 0.000 1.908 321 A HA -0.169 4.151 4.320 0.001 0.000 0.218 321 A C 2.148 179.806 177.584 0.124 0.000 1.181 321 A CA 1.374 53.495 52.037 0.140 0.000 0.627 321 A CB -0.599 18.453 19.000 0.087 0.000 0.818 321 A HN 0.343 nan 8.150 nan 0.000 0.445 322 I N -0.916 119.747 120.570 0.156 0.000 2.252 322 I HA -0.231 3.940 4.170 0.001 0.000 0.245 322 I C 2.762 178.959 176.117 0.133 0.000 1.102 322 I CA 1.285 62.687 61.300 0.171 0.000 1.385 322 I CB -0.297 37.815 38.000 0.187 0.000 1.064 322 I HN 0.398 nan 8.210 nan 0.000 0.414 323 Q N 1.778 121.643 119.800 0.108 0.000 2.096 323 Q HA -0.238 4.102 4.340 0.001 0.000 0.204 323 Q C 1.848 177.889 176.000 0.070 0.000 0.982 323 Q CA 1.814 57.665 55.803 0.079 0.000 0.850 323 Q CB 0.032 28.813 28.738 0.072 0.000 0.901 323 Q HN 0.493 nan 8.270 nan 0.000 0.422 324 K N -0.623 119.823 120.400 0.077 0.000 2.379 324 K HA 0.110 4.430 4.320 0.001 0.000 0.194 324 K C 0.407 177.046 176.600 0.065 0.000 1.031 324 K CA -0.041 56.284 56.287 0.062 0.000 1.037 324 K CB 0.327 32.863 32.500 0.059 0.000 0.824 324 K HN 0.070 nan 8.250 nan 0.000 0.516 325 M N -0.456 119.198 119.600 0.090 0.000 2.302 325 M HA -0.218 4.262 4.480 0.001 0.000 0.200 325 M C -0.713 175.634 176.300 0.078 0.000 0.366 325 M CA 0.808 56.176 55.300 0.115 0.000 0.440 325 M CB -2.531 30.132 32.600 0.105 0.000 1.475 325 M HN 0.240 nan 8.290 nan 0.000 0.905 326 A N 0.508 123.361 122.820 0.055 0.000 2.582 326 A HA 0.819 5.139 4.320 0.001 0.000 0.297 326 A C -0.480 177.118 177.584 0.023 0.000 1.059 326 A CA -0.873 51.181 52.037 0.029 0.000 0.705 326 A CB 1.428 20.447 19.000 0.030 0.000 1.279 326 A HN 0.680 nan 8.150 nan 0.000 0.404 327 I N -0.952 119.615 120.570 -0.005 0.000 2.493 327 I HA 0.604 4.774 4.170 0.001 0.000 0.298 327 I C -0.010 176.153 176.117 0.077 0.000 0.998 327 I CA -0.830 60.481 61.300 0.018 0.000 1.137 327 I CB 1.695 39.586 38.000 -0.181 0.000 1.310 327 I HN 0.504 nan 8.210 nan 0.000 0.445 328 K N 5.709 126.195 120.400 0.144 0.000 2.401 328 K HA 0.311 4.631 4.320 0.001 0.000 0.278 328 K C -0.556 176.042 176.600 -0.004 0.000 1.018 328 K CA -0.265 55.989 56.287 -0.056 0.000 0.981 328 K CB 0.469 32.715 32.500 -0.424 0.000 0.933 328 K HN 0.524 nan 8.250 nan 0.000 0.477 329 M N 2.977 122.551 119.600 -0.043 0.000 2.598 329 M HA 0.229 4.709 4.480 0.001 0.000 0.317 329 M C -1.717 174.557 176.300 -0.044 0.000 1.201 329 M CA -2.824 52.467 55.300 -0.015 0.000 0.971 329 M CB 0.717 33.313 32.600 -0.006 0.000 1.657 329 M HN 0.206 nan 8.290 nan 0.000 0.470 330 P HA -0.134 nan 4.420 nan 0.000 0.218 330 P C 0.552 177.839 177.300 -0.021 0.000 1.146 330 P CA 1.318 64.409 63.100 -0.014 0.000 0.813 330 P CB -0.050 31.656 31.700 0.011 0.000 0.778 331 N N -1.274 117.414 118.700 -0.020 0.000 2.383 331 N HA 0.084 4.824 4.740 0.001 0.000 0.192 331 N C 1.163 176.657 175.510 -0.027 0.000 1.141 331 N CA 0.653 53.693 53.050 -0.017 0.000 0.851 331 N CB -1.044 37.438 38.487 -0.010 0.000 0.976 331 N HN 0.153 nan 8.380 nan 0.000 0.465 332 G N -0.323 108.450 108.800 -0.045 0.000 2.143 332 G HA2 -0.324 3.636 3.960 0.001 0.000 0.249 332 G HA3 -0.324 3.636 3.960 0.001 0.000 0.249 332 G C 0.057 174.929 174.900 -0.046 0.000 0.981 332 G CA 0.319 45.387 45.100 -0.054 0.000 0.665 332 G HN 0.546 nan 8.290 nan 0.000 0.528 333 R N -0.308 120.169 120.500 -0.038 0.000 2.944 333 R HA 0.766 5.107 4.340 0.001 0.000 0.233 333 R C -0.225 176.058 176.300 -0.029 0.000 1.346 333 R CA -0.814 55.269 56.100 -0.028 0.000 1.082 333 R CB 1.076 31.366 30.300 -0.017 0.000 1.434 333 R HN 0.294 nan 8.270 nan 0.000 0.510 334 E N 0.656 120.845 120.200 -0.017 0.000 2.238 334 E HA 0.306 4.657 4.350 0.001 0.000 0.267 334 E C -1.425 175.173 176.600 -0.004 0.000 0.887 334 E CA -0.925 55.469 56.400 -0.010 0.000 0.769 334 E CB 2.314 32.011 29.700 -0.005 0.000 1.187 334 E HN 0.057 nan 8.360 nan 0.000 0.416 335 L N 4.234 125.456 121.223 -0.002 0.000 2.305 335 L HA 0.411 4.751 4.340 0.001 0.000 0.284 335 L C -2.620 174.248 176.870 -0.003 0.000 1.013 335 L CA -1.967 52.870 54.840 -0.004 0.000 0.819 335 L CB 1.141 43.194 42.059 -0.009 0.000 1.227 335 L HN 0.271 nan 8.230 nan 0.000 0.417 336 P HA 0.051 nan 4.420 nan 0.000 0.267 336 P C -0.865 176.441 177.300 0.011 0.000 1.200 336 P CA 0.163 63.271 63.100 0.014 0.000 0.772 336 P CB 0.388 32.099 31.700 0.018 0.000 0.855 337 L N 3.862 125.103 121.223 0.031 0.000 2.334 337 L HA 0.186 4.526 4.340 0.001 0.000 0.286 337 L C 1.015 177.947 176.870 0.103 0.000 1.108 337 L CA -0.400 54.462 54.840 0.036 0.000 0.875 337 L CB -0.295 41.792 42.059 0.047 0.000 1.246 337 L HN 0.441 nan 8.230 nan 0.000 0.439 338 D N 1.913 122.352 120.400 0.066 0.000 2.348 338 D HA 0.005 4.645 4.640 0.001 0.000 0.249 338 D C 0.597 176.956 176.300 0.098 0.000 1.110 338 D CA -0.574 53.466 54.000 0.068 0.000 0.967 338 D CB 1.598 42.419 40.800 0.035 0.000 1.139 338 D HN 0.406 nan 8.370 nan 0.000 0.466 339 E N 0.008 120.250 120.200 0.070 0.000 2.097 339 E HA -0.169 4.181 4.350 0.001 0.000 0.196 339 E C 1.833 178.472 176.600 0.067 0.000 1.000 339 E CA 1.278 57.715 56.400 0.062 0.000 0.804 339 E CB 0.253 29.969 29.700 0.027 0.000 0.740 339 E HN 0.390 nan 8.360 nan 0.000 0.454 340 V N -0.164 119.776 119.914 0.044 0.000 2.379 340 V HA -0.141 3.979 4.120 0.001 0.000 0.243 340 V C 2.411 178.519 176.094 0.023 0.000 1.035 340 V CA 1.985 64.302 62.300 0.028 0.000 1.035 340 V CB -0.105 31.724 31.823 0.011 0.000 0.673 340 V HN 0.469 nan 8.190 nan 0.000 0.457 341 T N -2.611 111.955 114.554 0.019 0.000 3.023 341 T HA 0.175 4.525 4.350 0.001 0.000 0.253 341 T C 1.847 176.530 174.700 -0.028 0.000 1.038 341 T CA 0.796 62.894 62.100 -0.004 0.000 0.962 341 T CB 0.450 69.313 68.868 -0.008 0.000 1.018 341 T HN 0.361 nan 8.240 nan 0.000 0.521 342 G N 2.350 111.148 108.800 -0.003 0.000 2.529 342 G HA2 -0.227 3.733 3.960 0.001 0.000 0.219 342 G HA3 -0.227 3.733 3.960 0.001 0.000 0.219 342 G C 1.319 176.018 174.900 -0.335 0.000 1.177 342 G CA 1.240 46.270 45.100 -0.118 0.000 0.773 342 G HN 0.517 nan 8.290 nan 0.000 0.573 343 I N 0.864 121.312 120.570 -0.203 0.000 2.394 343 I HA -0.040 4.130 4.170 0.001 0.000 0.251 343 I C 2.096 178.082 176.117 -0.218 0.000 1.136 343 I CA 1.629 62.761 61.300 -0.280 0.000 1.425 343 I CB -0.289 37.608 38.000 -0.173 0.000 1.079 343 I HN 0.181 nan 8.210 nan 0.000 0.425 344 D N -0.152 120.175 120.400 -0.122 0.000 2.097 344 D HA -0.213 4.427 4.640 0.001 0.000 0.195 344 D C 2.242 178.507 176.300 -0.058 0.000 0.989 344 D CA 1.750 55.708 54.000 -0.069 0.000 0.827 344 D CB -0.071 40.707 40.800 -0.037 0.000 0.966 344 D HN 0.321 nan 8.370 nan 0.000 0.456 345 M N -0.331 119.221 119.600 -0.080 0.000 2.073 345 M HA -0.181 4.300 4.480 0.001 0.000 0.258 345 M C 2.381 178.643 176.300 -0.063 0.000 1.070 345 M CA 1.219 56.475 55.300 -0.074 0.000 1.103 345 M CB -0.389 32.151 32.600 -0.098 0.000 1.321 345 M HN 0.127 nan 8.290 nan 0.000 0.405 346 L N -0.434 120.727 121.223 -0.103 0.000 2.042 346 L HA -0.162 4.178 4.340 0.001 0.000 0.210 346 L C 2.706 179.701 176.870 0.208 0.000 1.076 346 L CA 1.427 56.276 54.840 0.016 0.000 0.749 346 L CB -1.257 40.767 42.059 -0.060 0.000 0.893 346 L HN 0.448 nan 8.230 nan 0.000 0.432 347 G N -0.128 108.742 108.800 0.116 0.000 2.440 347 G HA2 -0.305 3.655 3.960 0.001 0.000 0.218 347 G HA3 -0.305 3.655 3.960 0.001 0.000 0.218 347 G C 1.294 176.236 174.900 0.071 0.000 1.154 347 G CA 1.314 46.524 45.100 0.184 0.000 0.767 347 G HN 0.460 nan 8.290 nan 0.000 0.552 348 N N -0.116 118.599 118.700 0.027 0.000 2.216 348 N HA 0.094 4.835 4.740 0.001 0.000 0.183 348 N C 2.176 177.688 175.510 0.002 0.000 1.017 348 N CA 0.279 53.326 53.050 -0.006 0.000 0.861 348 N CB -0.110 38.386 38.487 0.014 0.000 0.986 348 N HN 0.218 nan 8.380 nan 0.000 0.428 349 L N 0.016 121.266 121.223 0.045 0.000 2.046 349 L HA -0.150 4.191 4.340 0.001 0.000 0.208 349 L C 2.344 179.354 176.870 0.233 0.000 1.077 349 L CA 1.064 55.974 54.840 0.118 0.000 0.747 349 L CB -0.220 41.912 42.059 0.122 0.000 0.896 349 L HN 0.332 nan 8.230 nan 0.000 0.432 350 M N -0.146 119.512 119.600 0.097 0.000 2.193 350 M HA -0.146 4.334 4.480 0.001 0.000 0.265 350 M C 2.049 178.290 176.300 -0.099 0.000 1.071 350 M CA 1.633 56.860 55.300 -0.122 0.000 1.140 350 M CB -0.282 32.078 32.600 -0.400 0.000 1.369 350 M HN 0.125 nan 8.290 nan 0.000 0.423 351 E N 0.279 120.328 120.200 -0.251 0.000 2.070 351 E HA -0.143 4.208 4.350 0.001 0.000 0.197 351 E C 0.427 176.917 176.600 -0.182 0.000 1.004 351 E CA 1.344 57.470 56.400 -0.457 0.000 0.805 351 E CB -0.125 29.061 29.700 -0.857 0.000 0.744 351 E HN 0.663 nan 8.360 nan 0.000 0.451 352 S N -0.517 115.044 115.700 -0.232 0.000 2.707 352 S HA 0.405 4.875 4.470 0.001 0.000 0.276 352 S C -0.020 174.485 174.600 -0.158 0.000 1.179 352 S CA -0.410 57.679 58.200 -0.185 0.000 0.992 352 S CB 1.730 64.859 63.200 -0.118 0.000 1.030 352 S HN 0.276 nan 8.310 nan 0.000 0.554 353 S N -0.293 115.395 115.700 -0.020 0.000 2.677 353 S HA 0.525 4.996 4.470 0.001 0.000 0.304 353 S C 0.555 175.216 174.600 0.101 0.000 1.108 353 S CA -0.783 57.492 58.200 0.125 0.000 0.944 353 S CB 0.817 64.105 63.200 0.147 0.000 1.127 353 S HN 0.723 nan 8.310 nan 0.000 0.511 354 I N 0.880 121.527 120.570 0.129 0.000 2.567 354 I HA 0.024 4.194 4.170 0.001 0.000 0.257 354 I C 1.516 177.668 176.117 0.058 0.000 1.184 354 I CA 0.945 62.297 61.300 0.085 0.000 1.451 354 I CB -0.446 37.600 38.000 0.077 0.000 1.089 354 I HN 0.740 nan 8.210 nan 0.000 0.441 355 I N -2.182 118.422 120.570 0.058 0.000 3.812 355 I HA 0.186 4.357 4.170 0.001 0.000 0.320 355 I C 1.041 177.178 176.117 0.033 0.000 1.276 355 I CA -0.228 61.097 61.300 0.042 0.000 1.164 355 I CB -0.748 37.278 38.000 0.043 0.000 1.009 355 I HN 0.060 nan 8.210 nan 0.000 0.431 356 S N 2.931 118.651 115.700 0.033 0.000 2.626 356 S HA 0.093 4.563 4.470 0.001 0.000 0.303 356 S C -0.868 173.749 174.600 0.029 0.000 1.256 356 S CA -0.722 57.493 58.200 0.025 0.000 1.069 356 S CB 0.506 63.722 63.200 0.027 0.000 0.807 356 S HN 0.204 nan 8.310 nan 0.000 0.500 357 P HA -0.049 nan 4.420 nan 0.000 0.217 357 P C 0.151 177.486 177.300 0.059 0.000 1.148 357 P CA 1.167 64.281 63.100 0.023 0.000 0.828 357 P CB 0.035 31.731 31.700 -0.006 0.000 0.783 358 N N -1.672 117.091 118.700 0.105 0.000 2.824 358 N HA 0.092 4.832 4.740 0.001 0.000 0.224 358 N C 0.464 176.085 175.510 0.185 0.000 1.418 358 N CA -0.231 52.916 53.050 0.163 0.000 0.743 358 N CB 0.039 38.669 38.487 0.238 0.000 1.395 358 N HN -0.283 nan 8.380 nan 0.000 0.548 359 R N 0.652 121.209 120.500 0.096 0.000 2.092 359 R HA 0.020 4.360 4.340 0.001 0.000 0.231 359 R C 1.715 178.029 176.300 0.023 0.000 1.119 359 R CA 1.706 57.832 56.100 0.044 0.000 0.970 359 R CB -0.173 30.141 30.300 0.023 0.000 0.864 359 R HN 0.495 nan 8.270 nan 0.000 0.440 360 G N -0.155 108.681 108.800 0.060 0.000 2.476 360 G HA2 -0.349 3.611 3.960 0.001 0.000 0.218 360 G HA3 -0.349 3.611 3.960 0.001 0.000 0.218 360 G C 1.218 176.160 174.900 0.071 0.000 1.164 360 G CA 1.068 46.209 45.100 0.067 0.000 0.768 360 G HN 0.420 nan 8.290 nan 0.000 0.560 361 Y N -0.209 120.042 120.300 -0.082 0.000 2.176 361 Y HA 0.087 4.638 4.550 0.001 0.000 0.291 361 Y C 2.560 178.252 175.900 -0.348 0.000 1.122 361 Y CA 1.170 59.140 58.100 -0.217 0.000 1.128 361 Y CB -0.070 38.177 38.460 -0.356 0.000 1.005 361 Y HN 0.207 nan 8.280 nan 0.000 0.509 362 Y N 0.515 120.745 120.300 -0.117 0.000 2.516 362 Y HA 0.200 4.750 4.550 0.001 0.000 0.291 362 Y C 1.702 177.138 175.900 -0.773 0.000 1.131 362 Y CA 0.773 58.630 58.100 -0.405 0.000 1.281 362 Y CB -0.499 37.764 38.460 -0.328 0.000 1.013 362 Y HN 0.338 nan 8.280 nan 0.000 0.554 363 G N 0.338 108.750 108.800 -0.647 0.000 2.512 363 G HA2 -0.307 3.653 3.960 0.001 0.000 0.240 363 G HA3 -0.307 3.653 3.960 0.001 0.000 0.240 363 G C -0.664 173.687 174.900 -0.916 0.000 1.246 363 G CA 0.110 44.450 45.100 -1.267 0.000 0.919 363 G HN 0.270 nan 8.290 nan 0.000 0.577 364 D N -0.865 118.768 120.400 -1.277 0.000 3.100 364 D HA 0.376 5.017 4.640 0.001 0.000 0.350 364 D C 1.406 177.568 176.300 -0.230 0.000 1.310 364 D CA 0.009 53.712 54.000 -0.495 0.000 0.741 364 D CB 0.206 40.862 40.800 -0.241 0.000 1.248 364 D HN 0.496 nan 8.370 nan 0.000 0.527 365 L N 1.240 122.386 121.223 -0.129 0.000 1.976 365 L HA -0.081 4.259 4.340 0.001 0.000 0.209 365 L C 2.151 179.274 176.870 0.421 0.000 1.071 365 L CA 2.037 57.087 54.840 0.350 0.000 0.746 365 L CB -0.761 41.551 42.059 0.421 0.000 0.890 365 L HN 0.464 nan 8.230 nan 0.000 0.432 366 H N -0.586 118.622 119.070 0.230 0.000 2.321 366 H HA -0.158 4.398 4.556 0.001 0.000 0.300 366 H C 1.805 177.371 175.328 0.397 0.000 1.087 366 H CA 1.974 58.264 56.048 0.403 0.000 1.319 366 H CB -0.008 29.891 29.762 0.229 0.000 1.379 366 H HN 0.420 nan 8.280 nan 0.000 0.501 367 N N 0.423 119.086 118.700 -0.062 0.000 2.120 367 N HA -0.114 4.626 4.740 0.001 0.000 0.188 367 N C 2.106 177.501 175.510 -0.191 0.000 1.024 367 N CA 1.064 53.999 53.050 -0.192 0.000 0.852 367 N CB -0.260 38.114 38.487 -0.188 0.000 1.003 367 N HN 0.374 nan 8.380 nan 0.000 0.424 368 M N 0.283 119.873 119.600 -0.016 0.000 2.229 368 M HA 0.012 4.492 4.480 0.001 0.000 0.264 368 M C 2.156 178.394 176.300 -0.103 0.000 1.063 368 M CA 0.761 56.074 55.300 0.022 0.000 1.114 368 M CB -1.539 31.250 32.600 0.315 0.000 1.387 368 M HN 0.118 nan 8.290 nan 0.000 0.420 369 G N -0.300 108.352 108.800 -0.248 0.000 2.476 369 G HA2 -0.247 3.714 3.960 0.001 0.000 0.218 369 G HA3 -0.247 3.714 3.960 0.001 0.000 0.218 369 G C 1.481 175.770 174.900 -1.018 0.000 1.164 369 G CA 0.831 45.331 45.100 -1.000 0.000 0.768 369 G HN 0.476 nan 8.290 nan 0.000 0.560 370 H N -0.098 118.413 119.070 -0.930 0.000 2.352 370 H HA -0.077 4.479 4.556 0.001 0.000 0.299 370 H C 2.848 177.752 175.328 -0.707 0.000 1.097 370 H CA 1.577 57.097 56.048 -0.880 0.000 1.311 370 H CB -0.174 28.712 29.762 -1.459 0.000 1.377 370 H HN 0.232 nan 8.280 nan 0.000 0.504 371 V N 0.625 120.249 119.914 -0.484 0.000 2.307 371 V HA -0.219 3.901 4.120 0.001 0.000 0.245 371 V C 2.282 178.102 176.094 -0.456 0.000 1.045 371 V CA 1.471 63.529 62.300 -0.402 0.000 1.024 371 V CB -0.820 30.834 31.823 -0.283 0.000 0.651 371 V HN 0.164 nan 8.190 nan 0.000 0.449 372 F N 1.033 120.587 119.950 -0.660 0.000 2.095 372 F HA -0.209 4.319 4.527 0.001 0.000 0.298 372 F C 2.491 177.687 175.800 -1.007 0.000 1.104 372 F CA 1.852 59.268 58.000 -0.973 0.000 1.232 372 F CB -0.910 37.071 39.000 -1.698 0.000 0.987 372 F HN 0.090 nan 8.300 nan 0.000 0.475 373 A N -0.329 121.981 122.820 -0.850 0.000 1.933 373 A HA -0.042 4.279 4.320 0.001 0.000 0.218 373 A C 2.313 179.661 177.584 -0.393 0.000 1.175 373 A CA 1.594 53.257 52.037 -0.623 0.000 0.628 373 A CB -1.282 17.329 19.000 -0.647 0.000 0.814 373 A HN 0.316 nan 8.150 nan 0.000 0.444 374 A N -2.357 120.234 122.820 -0.382 0.000 2.067 374 A HA 0.047 4.368 4.320 0.001 0.000 0.219 374 A C 1.477 178.927 177.584 -0.224 0.000 1.158 374 A CA 1.053 52.901 52.037 -0.315 0.000 0.661 374 A CB -0.476 18.234 19.000 -0.484 0.000 0.801 374 A HN 0.641 nan 8.150 nan 0.000 0.452 375 Y N -0.355 119.871 120.300 -0.123 0.000 2.706 375 Y HA 0.049 4.599 4.550 0.001 0.000 0.255 375 Y C 2.228 177.992 175.900 -0.227 0.000 1.163 375 Y CA 0.140 58.116 58.100 -0.208 0.000 1.174 375 Y CB 0.272 38.567 38.460 -0.275 0.000 1.200 375 Y HN 0.429 nan 8.280 nan 0.000 0.544 376 T N -2.776 111.790 114.554 0.021 0.000 2.803 376 T HA -0.286 4.065 4.350 0.001 0.000 0.269 376 T C 1.661 176.377 174.700 0.026 0.000 1.052 376 T CA 2.012 64.120 62.100 0.014 0.000 1.136 376 T CB -0.407 68.466 68.868 0.008 0.000 0.864 376 T HN 0.563 nan 8.240 nan 0.000 0.467 377 H N 0.243 119.285 119.070 -0.047 0.000 2.502 377 H HA 0.217 4.773 4.556 0.001 0.000 0.283 377 H C 0.139 175.480 175.328 0.020 0.000 1.015 377 H CA 1.054 57.057 56.048 -0.075 0.000 1.298 377 H CB -0.036 29.623 29.762 -0.171 0.000 1.411 377 H HN 0.488 nan 8.280 nan 0.000 0.556 378 D N 0.910 121.027 120.400 -0.472 0.000 2.968 378 D HA 0.154 4.794 4.640 0.001 0.000 0.301 378 D C -1.951 174.194 176.300 -0.259 0.000 1.226 378 D CA -1.573 52.269 54.000 -0.263 0.000 0.746 378 D CB 0.755 41.395 40.800 -0.266 0.000 1.278 378 D HN 0.039 nan 8.370 nan 0.000 0.544 379 P HA -0.029 nan 4.420 nan 0.000 0.226 379 P C 0.363 177.521 177.300 -0.238 0.000 1.153 379 P CA 0.949 63.923 63.100 -0.210 0.000 0.777 379 P CB 0.340 31.974 31.700 -0.111 0.000 0.794 380 D N -3.234 117.059 120.400 -0.179 0.000 2.513 380 D HA -0.022 4.619 4.640 0.001 0.000 0.222 380 D C 0.655 176.903 176.300 -0.086 0.000 1.210 380 D CA -0.759 53.151 54.000 -0.150 0.000 0.825 380 D CB -1.433 39.299 40.800 -0.114 0.000 1.037 380 D HN 0.248 nan 8.370 nan 0.000 0.506 381 H N 0.472 119.386 119.070 -0.260 0.000 3.395 381 H HA -0.260 4.297 4.556 0.001 0.000 0.222 381 H C 1.412 176.632 175.328 -0.180 0.000 1.099 381 H CA 0.979 56.895 56.048 -0.220 0.000 1.182 381 H CB -0.368 29.268 29.762 -0.209 0.000 1.188 381 H HN 0.447 nan 8.280 nan 0.000 0.317 382 R N 0.203 120.573 120.500 -0.216 0.000 2.159 382 R HA -0.112 4.229 4.340 0.001 0.000 0.237 382 R C 1.048 177.098 176.300 -0.417 0.000 1.131 382 R CA 1.974 57.870 56.100 -0.339 0.000 0.982 382 R CB -0.356 29.705 30.300 -0.399 0.000 0.868 382 R HN 0.465 nan 8.270 nan 0.000 0.453 383 H N 0.740 119.733 119.070 -0.128 0.000 2.551 383 H HA 0.247 4.804 4.556 0.001 0.000 0.271 383 H C 0.545 175.799 175.328 -0.124 0.000 0.984 383 H CA 0.354 56.345 56.048 -0.094 0.000 1.164 383 H CB 0.310 30.050 29.762 -0.036 0.000 1.437 383 H HN 0.131 nan 8.280 nan 0.000 0.550 384 L N 1.252 122.350 121.223 -0.209 0.000 3.737 384 L HA -0.226 4.114 4.340 0.001 0.000 0.418 384 L C -0.179 176.715 176.870 0.039 0.000 1.216 384 L CA 0.647 55.314 54.840 -0.288 0.000 0.915 384 L CB -1.054 40.868 42.059 -0.227 0.000 1.834 384 L HN 0.232 nan 8.230 nan 0.000 0.943 385 E N 0.763 121.056 120.200 0.155 0.000 2.248 385 E HA 0.373 4.723 4.350 0.001 0.000 0.272 385 E C 0.204 176.938 176.600 0.224 0.000 1.008 385 E CA -0.396 56.121 56.400 0.195 0.000 0.856 385 E CB 1.413 31.288 29.700 0.291 0.000 1.120 385 E HN 0.449 nan 8.360 nan 0.000 0.397 386 Q N 1.166 121.041 119.800 0.126 0.000 2.222 386 Q HA 0.408 4.749 4.340 0.001 0.000 0.211 386 Q C -0.177 175.900 176.000 0.128 0.000 1.013 386 Q CA -0.709 55.071 55.803 -0.038 0.000 0.993 386 Q CB 0.218 28.720 28.738 -0.394 0.000 1.151 386 Q HN 0.416 nan 8.270 nan 0.000 0.544 387 F N -1.065 118.890 119.950 0.009 0.000 2.406 387 F HA 0.645 5.173 4.527 0.001 0.000 0.327 387 F C 0.781 176.582 175.800 0.001 0.000 1.153 387 F CA -0.746 57.091 58.000 -0.272 0.000 1.218 387 F CB 0.165 38.746 39.000 -0.698 0.000 1.215 387 F HN 0.666 nan 8.300 nan 0.000 0.570 388 G N 0.249 109.239 108.800 0.317 0.000 2.611 388 G HA2 0.306 4.267 3.960 0.001 0.000 0.273 388 G HA3 0.306 4.267 3.960 0.001 0.000 0.273 388 G C 0.885 176.087 174.900 0.503 0.000 1.305 388 G CA -0.282 45.012 45.100 0.322 0.000 1.010 388 G HN 1.093 nan 8.290 nan 0.000 0.509 389 V N -2.162 117.943 119.914 0.319 0.000 2.594 389 V HA -0.130 3.990 4.120 0.001 0.000 0.253 389 V C 2.504 178.645 176.094 0.079 0.000 1.069 389 V CA 1.520 63.859 62.300 0.065 0.000 1.082 389 V CB -0.710 31.038 31.823 -0.125 0.000 0.680 389 V HN 0.486 nan 8.190 nan 0.000 0.469 390 M N 1.584 121.226 119.600 0.071 0.000 2.435 390 M HA -0.038 4.442 4.480 0.001 0.000 0.262 390 M C 2.034 178.349 176.300 0.024 0.000 1.065 390 M CA 1.674 57.014 55.300 0.066 0.000 1.076 390 M CB -1.549 31.022 32.600 -0.048 0.000 1.403 390 M HN 0.618 nan 8.290 nan 0.000 0.454 391 G N -0.918 107.794 108.800 -0.146 0.000 2.712 391 G HA2 -0.075 3.886 3.960 0.001 0.000 0.212 391 G HA3 -0.075 3.886 3.960 0.001 0.000 0.212 391 G C 0.145 174.727 174.900 -0.530 0.000 1.142 391 G CA 0.090 44.821 45.100 -0.615 0.000 0.789 391 G HN 0.379 nan 8.290 nan 0.000 0.535 392 D N -0.566 119.802 120.400 -0.054 0.000 2.757 392 D HA 0.228 4.869 4.640 0.001 0.000 0.249 392 D C 1.486 177.926 176.300 0.233 0.000 1.168 392 D CA -0.150 53.897 54.000 0.077 0.000 0.870 392 D CB 1.852 42.831 40.800 0.298 0.000 1.411 392 D HN -0.006 nan 8.370 nan 0.000 0.525 393 S N 2.473 118.306 115.700 0.223 0.000 2.442 393 S HA -0.112 4.359 4.470 0.001 0.000 0.236 393 S C 1.827 176.726 174.600 0.498 0.000 1.007 393 S CA 0.984 59.417 58.200 0.388 0.000 0.965 393 S CB -0.104 63.143 63.200 0.079 0.000 0.773 393 S HN 0.451 nan 8.310 nan 0.000 0.504 394 A N 1.585 124.641 122.820 0.395 0.000 2.067 394 A HA 0.059 4.380 4.320 0.001 0.000 0.219 394 A C 2.328 179.897 177.584 -0.025 0.000 1.158 394 A CA 1.644 53.826 52.037 0.241 0.000 0.661 394 A CB -0.847 18.184 19.000 0.051 0.000 0.801 394 A HN 0.812 nan 8.150 nan 0.000 0.452 395 T N -5.249 109.262 114.554 -0.071 0.000 2.975 395 T HA 0.499 4.850 4.350 0.001 0.000 0.261 395 T C 1.694 176.296 174.700 -0.163 0.000 0.984 395 T CA 0.818 62.770 62.100 -0.246 0.000 0.911 395 T CB 0.080 68.627 68.868 -0.535 0.000 1.127 395 T HN 0.391 nan 8.240 nan 0.000 0.514 396 A N 2.261 125.051 122.820 -0.049 0.000 1.972 396 A HA 0.175 4.496 4.320 0.001 0.000 0.219 396 A C 2.298 179.676 177.584 -0.343 0.000 1.169 396 A CA 1.229 53.260 52.037 -0.010 0.000 0.635 396 A CB -0.850 18.379 19.000 0.380 0.000 0.810 396 A HN 0.516 nan 8.150 nan 0.000 0.446 397 M N -0.792 118.381 119.600 -0.711 0.000 2.446 397 M HA -0.137 4.344 4.480 0.001 0.000 0.263 397 M C 2.009 178.114 176.300 -0.325 0.000 1.066 397 M CA 1.014 55.746 55.300 -0.946 0.000 1.087 397 M CB -0.338 31.767 32.600 -0.825 0.000 1.406 397 M HN 0.407 nan 8.290 nan 0.000 0.459 398 R N 0.048 120.405 120.500 -0.237 0.000 2.152 398 R HA -0.059 4.282 4.340 0.001 0.000 0.232 398 R C 0.714 176.708 176.300 -0.509 0.000 1.117 398 R CA 0.600 56.588 56.100 -0.188 0.000 0.981 398 R CB -0.362 29.910 30.300 -0.046 0.000 0.870 398 R HN 0.251 nan 8.270 nan 0.000 0.451 399 D N 0.328 120.443 120.400 -0.476 0.000 2.277 399 D HA 0.088 4.728 4.640 0.001 0.000 0.249 399 D C -1.819 174.399 176.300 -0.136 0.000 1.134 399 D CA -2.525 51.107 54.000 -0.613 0.000 0.863 399 D CB 1.692 42.359 40.800 -0.222 0.000 1.143 399 D HN -0.208 nan 8.370 nan 0.000 0.458 400 P HA -0.137 nan 4.420 nan 0.000 0.218 400 P C 1.263 178.724 177.300 0.268 0.000 1.146 400 P CA 0.712 63.934 63.100 0.203 0.000 0.813 400 P CB -0.015 31.789 31.700 0.173 0.000 0.778 401 F N -0.921 119.060 119.950 0.053 0.000 2.234 401 F HA -0.137 4.391 4.527 0.001 0.000 0.299 401 F C 2.030 177.848 175.800 0.029 0.000 1.087 401 F CA 0.835 58.840 58.000 0.009 0.000 1.340 401 F CB -0.785 38.155 39.000 -0.099 0.000 1.031 401 F HN -0.184 nan 8.300 nan 0.000 0.500 402 F N 0.024 119.853 119.950 -0.202 0.000 2.115 402 F HA -0.337 4.190 4.527 0.001 0.000 0.300 402 F C 1.738 177.292 175.800 -0.409 0.000 1.092 402 F CA 2.049 59.825 58.000 -0.373 0.000 1.245 402 F CB -0.742 37.894 39.000 -0.606 0.000 0.995 402 F HN 0.043 nan 8.300 nan 0.000 0.481 403 Y N -0.218 120.076 120.300 -0.010 0.000 2.337 403 Y HA 0.011 4.561 4.550 0.001 0.000 0.293 403 Y C 2.502 178.343 175.900 -0.098 0.000 1.123 403 Y CA 0.999 59.051 58.100 -0.079 0.000 1.201 403 Y CB -0.627 37.636 38.460 -0.329 0.000 1.011 403 Y HN -0.096 nan 8.280 nan 0.000 0.545 404 R N -0.640 119.820 120.500 -0.067 0.000 2.075 404 R HA -0.219 4.121 4.340 0.001 0.000 0.232 404 R C 2.188 178.386 176.300 -0.170 0.000 1.126 404 R CA 1.629 57.655 56.100 -0.123 0.000 0.963 404 R CB -0.836 29.342 30.300 -0.204 0.000 0.858 404 R HN 0.528 nan 8.270 nan 0.000 0.435 405 W N 1.501 122.373 121.300 -0.712 0.000 2.354 405 W HA -0.213 4.447 4.660 0.001 0.000 0.315 405 W C 1.776 178.083 176.519 -0.354 0.000 1.206 405 W CA 1.313 58.353 57.345 -0.510 0.000 1.290 405 W CB -0.229 28.799 29.460 -0.720 0.000 1.152 405 W HN 0.240 nan 8.180 nan 0.000 0.489 406 H N 0.119 118.946 119.070 -0.405 0.000 2.457 406 H HA -0.122 4.434 4.556 0.001 0.000 0.294 406 H C 2.100 177.260 175.328 -0.279 0.000 1.064 406 H CA 1.814 57.604 56.048 -0.430 0.000 1.330 406 H CB -0.104 29.356 29.762 -0.503 0.000 1.395 406 H HN 0.101 nan 8.280 nan 0.000 0.541 407 R N 0.873 121.326 120.500 -0.078 0.000 2.092 407 R HA -0.112 4.229 4.340 0.001 0.000 0.231 407 R C 2.156 178.388 176.300 -0.112 0.000 1.119 407 R CA 0.916 56.990 56.100 -0.042 0.000 0.970 407 R CB -0.965 29.354 30.300 0.032 0.000 0.864 407 R HN 0.204 nan 8.270 nan 0.000 0.440 408 F N 0.037 119.819 119.950 -0.279 0.000 2.075 408 F HA -0.136 4.392 4.527 0.001 0.000 0.297 408 F C 1.747 177.280 175.800 -0.446 0.000 1.113 408 F CA 1.721 59.513 58.000 -0.346 0.000 1.218 408 F CB -0.797 37.965 39.000 -0.396 0.000 0.984 408 F HN -0.132 nan 8.300 nan 0.000 0.472 409 V N 0.834 120.065 119.914 -1.138 0.000 2.332 409 V HA -0.341 3.780 4.120 0.001 0.000 0.248 409 V C 2.146 177.796 176.094 -0.740 0.000 1.055 409 V CA 2.434 64.031 62.300 -1.172 0.000 1.038 409 V CB -0.919 30.381 31.823 -0.871 0.000 0.651 409 V HN 0.419 nan 8.190 nan 0.000 0.450 410 D N -0.353 119.854 120.400 -0.321 0.000 2.178 410 D HA -0.175 4.465 4.640 0.001 0.000 0.202 410 D C 1.769 178.030 176.300 -0.066 0.000 0.974 410 D CA 1.040 55.040 54.000 -0.001 0.000 0.841 410 D CB -0.111 40.711 40.800 0.036 0.000 0.953 410 D HN 0.387 nan 8.370 nan 0.000 0.478 411 D N -0.626 119.651 120.400 -0.205 0.000 2.149 411 D HA -0.122 4.519 4.640 0.001 0.000 0.198 411 D C 2.202 178.375 176.300 -0.212 0.000 0.990 411 D CA 0.590 54.491 54.000 -0.165 0.000 0.839 411 D CB -0.180 40.535 40.800 -0.143 0.000 0.948 411 D HN 0.155 nan 8.370 nan 0.000 0.460 412 V N 0.621 120.270 119.914 -0.442 0.000 2.270 412 V HA -0.227 3.894 4.120 0.001 0.000 0.245 412 V C 2.181 178.112 176.094 -0.271 0.000 1.043 412 V CA 1.237 63.271 62.300 -0.444 0.000 1.014 412 V CB -0.614 30.737 31.823 -0.787 0.000 0.645 412 V HN 0.050 nan 8.190 nan 0.000 0.447 413 F N 0.810 120.625 119.950 -0.225 0.000 2.161 413 F HA -0.181 4.347 4.527 0.001 0.000 0.300 413 F C 2.381 178.120 175.800 -0.102 0.000 1.089 413 F CA 1.656 59.548 58.000 -0.180 0.000 1.282 413 F CB -1.021 37.874 39.000 -0.175 0.000 1.010 413 F HN 0.230 nan 8.300 nan 0.000 0.485 414 N N 0.716 119.488 118.700 0.121 0.000 2.331 414 N HA -0.142 4.598 4.740 0.001 0.000 0.180 414 N C 1.979 177.505 175.510 0.026 0.000 1.019 414 N CA 0.781 53.872 53.050 0.069 0.000 0.881 414 N CB -0.033 38.489 38.487 0.057 0.000 0.972 414 N HN 0.256 nan 8.380 nan 0.000 0.435 415 I N 0.371 120.951 120.570 0.018 0.000 2.208 415 I HA -0.307 3.864 4.170 0.001 0.000 0.245 415 I C 2.301 178.444 176.117 0.043 0.000 1.097 415 I CA 1.226 62.537 61.300 0.019 0.000 1.363 415 I CB -0.531 37.480 38.000 0.019 0.000 1.051 415 I HN 0.217 nan 8.210 nan 0.000 0.413 416 Y N 2.112 122.394 120.300 -0.029 0.000 2.145 416 Y HA -0.231 4.319 4.550 0.001 0.000 0.286 416 Y C 2.502 178.371 175.900 -0.052 0.000 1.145 416 Y CA 1.586 59.669 58.100 -0.029 0.000 1.148 416 Y CB -0.111 38.338 38.460 -0.017 0.000 0.981 416 Y HN -0.094 nan 8.280 nan 0.000 0.507 417 K N 0.821 121.138 120.400 -0.138 0.000 2.063 417 K HA -0.183 4.138 4.320 0.001 0.000 0.208 417 K C 1.745 178.214 176.600 -0.219 0.000 1.048 417 K CA 1.892 58.050 56.287 -0.215 0.000 0.928 417 K CB -0.435 32.028 32.500 -0.062 0.000 0.713 417 K HN 0.594 nan 8.250 nan 0.000 0.442 418 E N 0.373 120.491 120.200 -0.136 0.000 2.511 418 E HA -0.069 4.282 4.350 0.001 0.000 0.196 418 E C 1.391 177.911 176.600 -0.134 0.000 1.066 418 E CA 0.369 56.705 56.400 -0.107 0.000 0.871 418 E CB 0.139 29.807 29.700 -0.053 0.000 0.863 418 E HN 0.243 nan 8.360 nan 0.000 0.520 419 K N 0.247 120.524 120.400 -0.204 0.000 2.400 419 K HA 0.113 4.434 4.320 0.001 0.000 0.194 419 K C 0.588 177.051 176.600 -0.229 0.000 1.033 419 K CA 0.014 56.188 56.287 -0.188 0.000 1.021 419 K CB 0.354 32.754 32.500 -0.167 0.000 0.808 419 K HN 0.068 nan 8.250 nan 0.000 0.505 420 L N 1.746 122.780 121.223 -0.315 0.000 2.452 420 L HA 0.035 4.375 4.340 0.001 0.000 0.267 420 L C 0.402 177.147 176.870 -0.207 0.000 1.188 420 L CA -0.078 54.590 54.840 -0.286 0.000 0.821 420 L CB 0.471 42.325 42.059 -0.343 0.000 1.102 420 L HN -0.003 nan 8.230 nan 0.000 0.470 421 T N 3.105 117.558 114.554 -0.169 0.000 2.853 421 T HA 0.119 4.469 4.350 0.001 0.000 0.298 421 T C -2.143 172.451 174.700 -0.178 0.000 0.978 421 T CA -0.772 61.250 62.100 -0.129 0.000 1.152 421 T CB 0.325 69.144 68.868 -0.081 0.000 0.914 421 T HN 0.355 nan 8.240 nan 0.000 0.539 422 P HA -0.034 nan 4.420 nan 0.000 0.264 422 P C -0.451 176.799 177.300 -0.084 0.000 1.173 422 P CA 0.013 63.035 63.100 -0.130 0.000 0.761 422 P CB 0.134 31.805 31.700 -0.048 0.000 0.794 423 Y N 0.730 121.058 120.300 0.046 0.000 2.632 423 Y HA 0.069 4.619 4.550 0.001 0.000 0.329 423 Y C 1.815 177.713 175.900 -0.004 0.000 1.174 423 Y CA 0.079 58.206 58.100 0.045 0.000 1.469 423 Y CB -0.823 37.691 38.460 0.090 0.000 1.242 423 Y HN 0.311 nan 8.280 nan 0.000 0.540 424 T N -0.787 113.860 114.554 0.154 0.000 2.828 424 T HA 0.083 4.433 4.350 0.001 0.000 0.290 424 T C 1.191 175.906 174.700 0.024 0.000 1.019 424 T CA -0.756 61.379 62.100 0.058 0.000 1.031 424 T CB 0.725 69.618 68.868 0.042 0.000 1.001 424 T HN 0.572 nan 8.240 nan 0.000 0.531 425 N N 0.631 119.319 118.700 -0.020 0.000 2.149 425 N HA -0.130 4.611 4.740 0.001 0.000 0.188 425 N C 1.754 177.247 175.510 -0.029 0.000 1.019 425 N CA 1.666 54.686 53.050 -0.051 0.000 0.857 425 N CB -0.523 37.931 38.487 -0.055 0.000 0.997 425 N HN 0.942 nan 8.380 nan 0.000 0.426 426 E N 0.785 120.982 120.200 -0.006 0.000 2.072 426 E HA -0.196 4.155 4.350 0.001 0.000 0.191 426 E C 2.050 178.655 176.600 0.008 0.000 0.985 426 E CA 0.872 57.274 56.400 0.004 0.000 0.801 426 E CB 0.005 29.710 29.700 0.008 0.000 0.750 426 E HN 0.066 nan 8.360 nan 0.000 0.452 427 R N 0.674 121.188 120.500 0.023 0.000 2.083 427 R HA -0.103 4.237 4.340 0.001 0.000 0.237 427 R C 2.271 178.572 176.300 0.001 0.000 1.137 427 R CA 1.837 57.953 56.100 0.026 0.000 0.951 427 R CB -0.630 29.731 30.300 0.102 0.000 0.851 427 R HN 0.349 nan 8.270 nan 0.000 0.434 428 L N 0.036 121.247 121.223 -0.020 0.000 2.109 428 L HA -0.011 4.329 4.340 0.001 0.000 0.207 428 L C 0.313 177.161 176.870 -0.037 0.000 1.086 428 L CA 0.424 55.222 54.840 -0.070 0.000 0.760 428 L CB -0.481 41.466 42.059 -0.187 0.000 0.910 428 L HN 0.184 nan 8.230 nan 0.000 0.437 429 D N -0.281 120.110 120.400 -0.015 0.000 2.339 429 D HA 0.106 4.747 4.640 0.001 0.000 0.245 429 D C -0.603 175.777 176.300 0.134 0.000 1.115 429 D CA 0.098 54.118 54.000 0.033 0.000 0.917 429 D CB 1.062 41.872 40.800 0.017 0.000 1.192 429 D HN -0.209 nan 8.370 nan 0.000 0.428 430 F N 2.721 122.653 119.950 -0.030 0.000 2.564 430 F HA 0.337 4.865 4.527 0.001 0.000 0.361 430 F C -2.487 173.303 175.800 -0.017 0.000 1.161 430 F CA -3.095 54.896 58.000 -0.015 0.000 1.198 430 F CB 0.440 39.434 39.000 -0.010 0.000 1.424 430 F HN -0.014 nan 8.300 nan 0.000 0.517 431 P HA 0.266 nan 4.420 nan 0.000 0.261 431 P C 0.710 177.951 177.300 -0.099 0.000 1.183 431 P CA 1.415 64.532 63.100 0.027 0.000 0.761 431 P CB 0.512 32.245 31.700 0.056 0.000 0.785 432 G N 1.296 110.017 108.800 -0.132 0.000 2.179 432 G HA2 -0.163 3.798 3.960 0.001 0.000 0.220 432 G HA3 -0.163 3.798 3.960 0.001 0.000 0.220 432 G C -0.187 174.555 174.900 -0.262 0.000 0.990 432 G CA -0.221 44.772 45.100 -0.178 0.000 0.646 432 G HN 0.548 nan 8.290 nan 0.000 0.517 433 V N 1.293 121.015 119.914 -0.320 0.000 2.443 433 V HA 0.701 4.822 4.120 0.001 0.000 0.293 433 V C 0.188 176.183 176.094 -0.165 0.000 1.021 433 V CA -0.569 61.535 62.300 -0.327 0.000 0.848 433 V CB 1.609 33.069 31.823 -0.605 0.000 0.998 433 V HN 0.541 nan 8.190 nan 0.000 0.424 434 R N 4.176 124.606 120.500 -0.116 0.000 2.439 434 R HA 0.723 5.063 4.340 0.001 0.000 0.310 434 R C -1.746 174.518 176.300 -0.060 0.000 0.955 434 R CA -0.479 55.577 56.100 -0.073 0.000 0.853 434 R CB 2.036 32.300 30.300 -0.059 0.000 1.171 434 R HN 0.464 nan 8.270 nan 0.000 0.449 435 V N 4.848 124.731 119.914 -0.052 0.000 2.368 435 V HA 0.089 4.210 4.120 0.001 0.000 0.266 435 V C 1.213 177.288 176.094 -0.033 0.000 1.045 435 V CA 0.035 62.308 62.300 -0.045 0.000 0.899 435 V CB 1.111 32.898 31.823 -0.061 0.000 1.006 435 V HN 1.040 nan 8.190 nan 0.000 0.470 436 S N 3.022 118.709 115.700 -0.022 0.000 2.425 436 S HA 0.092 4.563 4.470 0.001 0.000 0.225 436 S C 0.758 175.357 174.600 -0.002 0.000 1.024 436 S CA 0.402 58.596 58.200 -0.012 0.000 0.951 436 S CB 0.125 63.320 63.200 -0.008 0.000 0.796 436 S HN 1.009 nan 8.310 nan 0.000 0.498 437 S N -0.802 114.900 115.700 0.003 0.000 2.567 437 S HA 0.696 5.167 4.470 0.001 0.000 0.270 437 S C -1.356 173.260 174.600 0.027 0.000 1.152 437 S CA -0.541 57.669 58.200 0.017 0.000 0.835 437 S CB 1.565 64.781 63.200 0.026 0.000 1.115 437 S HN 0.668 nan 8.310 nan 0.000 0.459 438 V N 0.670 120.609 119.914 0.041 0.000 2.962 438 V HA 0.996 5.117 4.120 0.001 0.000 0.313 438 V C 0.170 176.326 176.094 0.102 0.000 1.099 438 V CA 0.656 63.000 62.300 0.073 0.000 0.971 438 V CB 1.673 33.527 31.823 0.053 0.000 1.028 438 V HN 1.847 nan 8.190 nan 0.000 0.430 439 G N 4.234 113.124 108.800 0.150 0.000 2.495 439 G HA2 0.569 4.530 3.960 0.001 0.000 0.294 439 G HA3 0.569 4.530 3.960 0.001 0.000 0.294 439 G C -2.092 172.921 174.900 0.189 0.000 1.397 439 G CA -0.637 44.549 45.100 0.143 0.000 0.790 439 G HN 0.765 nan 8.290 nan 0.000 0.486 440 I N 0.733 121.376 120.570 0.120 0.000 2.436 440 I HA 0.321 4.491 4.170 0.001 0.000 0.289 440 I C 0.262 176.419 176.117 0.066 0.000 1.010 440 I CA -0.535 60.821 61.300 0.092 0.000 1.098 440 I CB 2.149 40.135 38.000 -0.023 0.000 1.266 440 I HN 0.489 nan 8.210 nan 0.000 0.434 441 E N 3.287 123.535 120.200 0.081 0.000 2.408 441 E HA 0.570 4.920 4.350 0.001 0.000 0.259 441 E C 0.199 176.828 176.600 0.049 0.000 1.110 441 E CA 0.304 56.741 56.400 0.062 0.000 0.929 441 E CB 0.989 30.725 29.700 0.061 0.000 0.971 441 E HN 0.853 nan 8.360 nan 0.000 0.438 445 P HA 0.129 nan 4.420 nan 0.000 0.268 445 P C -0.493 176.809 177.300 0.003 0.000 1.205 445 P CA -0.003 63.104 63.100 0.012 0.000 0.771 445 P CB 0.500 32.211 31.700 0.019 0.000 0.858 446 N N -1.096 117.603 118.700 -0.002 0.000 2.818 446 N HA -0.107 4.633 4.740 0.001 0.000 0.250 446 N C -0.784 174.704 175.510 -0.036 0.000 1.108 446 N CA 1.102 54.146 53.050 -0.010 0.000 0.745 446 N CB -1.967 36.526 38.487 0.012 0.000 1.104 446 N HN 0.408 nan 8.380 nan 0.000 0.557 447 T N 0.970 115.492 114.554 -0.054 0.000 2.848 447 T HA 0.688 5.038 4.350 0.001 0.000 0.285 447 T C 0.354 174.990 174.700 -0.106 0.000 0.995 447 T CA -0.510 61.555 62.100 -0.059 0.000 0.970 447 T CB 2.228 71.078 68.868 -0.030 0.000 0.976 447 T HN 0.057 nan 8.240 nan 0.000 0.441 448 L N 2.535 123.687 121.223 -0.119 0.000 2.334 448 L HA 0.685 5.025 4.340 0.001 0.000 0.276 448 L C 0.134 176.977 176.870 -0.046 0.000 1.014 448 L CA -0.994 53.754 54.840 -0.153 0.000 0.815 448 L CB 2.009 43.922 42.059 -0.244 0.000 1.268 448 L HN 0.408 nan 8.230 nan 0.000 0.428 449 R N 1.144 121.642 120.500 -0.003 0.000 2.494 449 R HA 0.660 5.001 4.340 0.001 0.000 0.305 449 R C -0.928 175.403 176.300 0.052 0.000 0.959 449 R CA -0.301 55.807 56.100 0.012 0.000 0.864 449 R CB 1.803 32.101 30.300 -0.003 0.000 1.159 449 R HN 0.780 nan 8.270 nan 0.000 0.446 450 T N 2.229 116.803 114.554 0.033 0.000 2.930 450 T HA 0.743 5.094 4.350 0.001 0.000 0.290 450 T C -0.098 174.548 174.700 -0.089 0.000 1.052 450 T CA -0.789 61.342 62.100 0.051 0.000 1.017 450 T CB 1.484 70.419 68.868 0.111 0.000 1.137 450 T HN 0.656 nan 8.240 nan 0.000 0.511 451 L N -2.788 118.348 121.223 -0.146 0.000 3.133 451 L HA 0.746 5.086 4.340 0.001 0.000 0.289 451 L C -1.952 174.753 176.870 -0.275 0.000 1.012 451 L CA -1.624 53.002 54.840 -0.357 0.000 1.001 451 L CB 1.032 42.943 42.059 -0.246 0.000 1.580 451 L HN 0.786 nan 8.230 nan 0.000 0.373 452 W N 0.399 121.697 121.300 -0.003 0.000 2.512 452 W HA 0.766 5.426 4.660 0.001 0.000 0.335 452 W C -0.310 176.103 176.519 -0.177 0.000 1.088 452 W CA -0.273 57.042 57.345 -0.049 0.000 1.236 452 W CB 1.583 31.028 29.460 -0.025 0.000 1.307 452 W HN 0.564 nan 8.180 nan 0.000 0.567 453 Q N 1.631 121.381 119.800 -0.084 0.000 2.359 453 Q HA 0.287 4.628 4.340 0.001 0.000 0.274 453 Q C -1.237 174.416 176.000 -0.578 0.000 1.074 453 Q CA -0.736 54.860 55.803 -0.345 0.000 0.810 453 Q CB 2.013 30.515 28.738 -0.393 0.000 1.342 453 Q HN 0.504 nan 8.270 nan 0.000 0.427 454 Q N 1.405 120.974 119.800 -0.385 0.000 2.278 454 Q HA 0.523 4.864 4.340 0.001 0.000 0.257 454 Q C -1.109 174.649 176.000 -0.403 0.000 0.928 454 Q CA -0.265 55.311 55.803 -0.378 0.000 0.932 454 Q CB 2.097 30.707 28.738 -0.214 0.000 1.221 454 Q HN 0.478 nan 8.270 nan 0.000 0.434 455 S N 0.665 116.026 115.700 -0.565 0.000 2.634 455 S HA 0.668 5.139 4.470 0.001 0.000 0.296 455 S C -0.554 173.863 174.600 -0.305 0.000 1.104 455 S CA -0.859 57.055 58.200 -0.476 0.000 0.920 455 S CB 1.846 64.694 63.200 -0.587 0.000 1.111 455 S HN 0.679 nan 8.310 nan 0.000 0.493 456 T N -1.423 113.144 114.554 0.020 0.000 2.912 456 T HA 0.799 5.150 4.350 0.001 0.000 0.288 456 T C -0.740 174.185 174.700 0.374 0.000 1.030 456 T CA -0.800 61.418 62.100 0.197 0.000 1.020 456 T CB 1.521 70.451 68.868 0.104 0.000 1.056 456 T HN 0.485 nan 8.240 nan 0.000 0.480 457 V N 0.767 120.878 119.914 0.327 0.000 2.876 457 V HA 0.689 4.809 4.120 0.001 0.000 0.312 457 V C -0.986 175.179 176.094 0.118 0.000 1.085 457 V CA -0.910 61.517 62.300 0.211 0.000 0.945 457 V CB 1.915 33.817 31.823 0.132 0.000 1.017 457 V HN 1.125 nan 8.190 nan 0.000 0.428 458 E N 4.006 124.252 120.200 0.077 0.000 2.229 458 E HA 0.371 4.721 4.350 0.001 0.000 0.283 458 E C 0.146 176.776 176.600 0.049 0.000 1.030 458 E CA 0.093 56.526 56.400 0.055 0.000 0.836 458 E CB 1.262 30.986 29.700 0.039 0.000 1.068 458 E HN 0.662 nan 8.360 nan 0.000 0.401 459 L N 3.398 124.657 121.223 0.060 0.000 2.554 459 L HA 0.267 4.607 4.340 0.001 0.000 0.225 459 L C 1.899 178.809 176.870 0.066 0.000 1.104 459 L CA 0.447 55.341 54.840 0.089 0.000 0.866 459 L CB 0.123 42.255 42.059 0.122 0.000 1.047 459 L HN 0.763 nan 8.230 nan 0.000 0.468 460 G N 0.465 109.290 108.800 0.042 0.000 2.448 460 G HA2 -0.272 3.689 3.960 0.001 0.000 0.219 460 G HA3 -0.272 3.689 3.960 0.001 0.000 0.219 460 G C 1.715 176.616 174.900 0.001 0.000 1.127 460 G CA 0.446 45.561 45.100 0.026 0.000 0.766 460 G HN 0.261 nan 8.290 nan 0.000 0.552 461 R N 0.078 120.573 120.500 -0.008 0.000 2.193 461 R HA 0.074 4.415 4.340 0.001 0.000 0.213 461 R C 2.168 178.421 176.300 -0.077 0.000 1.055 461 R CA 1.085 57.164 56.100 -0.034 0.000 0.995 461 R CB -0.163 30.121 30.300 -0.026 0.000 0.893 461 R HN 0.286 nan 8.270 nan 0.000 0.459 462 G N -0.407 108.355 108.800 -0.065 0.000 3.192 462 G HA2 0.100 4.060 3.960 0.001 0.000 0.239 462 G HA3 0.100 4.060 3.960 0.001 0.000 0.239 462 G C -0.508 174.351 174.900 -0.070 0.000 1.084 462 G CA -0.407 44.630 45.100 -0.104 0.000 0.784 462 G HN 0.108 nan 8.290 nan 0.000 0.540 463 L N 2.756 123.961 121.223 -0.029 0.000 2.315 463 L HA 0.406 4.747 4.340 0.001 0.000 0.278 463 L C -0.725 176.101 176.870 -0.072 0.000 1.088 463 L CA -1.239 53.600 54.840 -0.001 0.000 0.899 463 L CB 0.094 42.202 42.059 0.083 0.000 1.277 463 L HN -0.005 nan 8.230 nan 0.000 0.431 464 D N 4.977 125.284 120.400 -0.155 0.000 2.372 464 D HA 0.100 4.741 4.640 0.001 0.000 0.243 464 D C 0.330 176.482 176.300 -0.247 0.000 1.121 464 D CA 0.161 53.914 54.000 -0.412 0.000 0.898 464 D CB 0.563 40.953 40.800 -0.684 0.000 1.202 464 D HN 0.450 nan 8.370 nan 0.000 0.428 465 F N -1.011 118.940 119.950 0.001 0.000 3.080 465 F HA -0.236 4.292 4.527 0.001 0.000 0.292 465 F C 0.800 176.619 175.800 0.032 0.000 0.891 465 F CA 0.428 58.438 58.000 0.016 0.000 1.086 465 F CB -2.676 36.339 39.000 0.025 0.000 1.095 465 F HN 0.235 nan 8.300 nan 0.000 0.633 466 T N -3.066 111.556 114.554 0.114 0.000 2.930 466 T HA 0.804 5.155 4.350 0.001 0.000 0.290 466 T C -2.514 172.227 174.700 0.068 0.000 1.052 466 T CA -2.438 59.719 62.100 0.094 0.000 1.017 466 T CB 2.666 71.577 68.868 0.072 0.000 1.137 466 T HN -0.206 nan 8.240 nan 0.000 0.511 467 P HA 0.216 nan 4.420 nan 0.000 0.267 467 P C 0.156 177.477 177.300 0.035 0.000 1.201 467 P CA -0.478 62.653 63.100 0.051 0.000 0.775 467 P CB 0.441 32.169 31.700 0.048 0.000 0.854 468 R N 1.219 121.736 120.500 0.028 0.000 2.822 468 R HA 0.579 4.919 4.340 0.001 0.000 0.277 468 R C 0.807 177.120 176.300 0.022 0.000 1.102 468 R CA 0.507 56.618 56.100 0.019 0.000 1.207 468 R CB -0.648 29.661 30.300 0.015 0.000 1.139 468 R HN 0.870 nan 8.270 nan 0.000 0.557 469 G N -0.621 108.190 108.800 0.019 0.000 2.459 469 G HA2 -0.180 3.781 3.960 0.001 0.000 0.685 469 G HA3 -0.180 3.781 3.960 0.001 0.000 0.685 469 G C -0.932 173.981 174.900 0.021 0.000 1.303 469 G CA -0.290 44.822 45.100 0.020 0.000 0.907 469 G HN 0.528 nan 8.290 nan 0.000 0.632 470 S N -1.161 114.551 115.700 0.021 0.000 2.505 470 S HA 0.557 5.028 4.470 0.001 0.000 0.276 470 S C 0.215 174.831 174.600 0.026 0.000 1.274 470 S CA -0.124 58.090 58.200 0.024 0.000 1.053 470 S CB 0.716 63.929 63.200 0.022 0.000 0.919 470 S HN 1.502 nan 8.310 nan 0.000 0.490 471 V N 7.596 127.529 119.914 0.031 0.000 2.340 471 V HA 0.359 4.480 4.120 0.001 0.000 0.277 471 V C -0.174 175.942 176.094 0.036 0.000 1.017 471 V CA -0.607 61.712 62.300 0.033 0.000 0.820 471 V CB 0.860 32.708 31.823 0.040 0.000 1.028 471 V HN 0.796 nan 8.190 nan 0.000 0.436 472 L N 3.740 124.983 121.223 0.033 0.000 2.350 472 L HA 0.806 5.146 4.340 0.001 0.000 0.275 472 L C 0.589 177.481 176.870 0.036 0.000 1.099 472 L CA -0.149 54.717 54.840 0.043 0.000 0.808 472 L CB 1.465 43.550 42.059 0.042 0.000 1.149 472 L HN 0.685 nan 8.230 nan 0.000 0.442 473 A N 3.517 126.371 122.820 0.057 0.000 2.340 473 A HA 0.685 5.006 4.320 0.001 0.000 0.331 473 A C -0.624 177.037 177.584 0.129 0.000 1.140 473 A CA -0.664 51.406 52.037 0.055 0.000 0.801 473 A CB 1.316 20.326 19.000 0.017 0.000 1.234 473 A HN 0.784 nan 8.150 nan 0.000 0.469 474 R N 1.807 122.367 120.500 0.100 0.000 2.310 474 R HA 0.581 4.921 4.340 0.001 0.000 0.324 474 R C -1.350 175.039 176.300 0.149 0.000 0.955 474 R CA -0.416 55.739 56.100 0.093 0.000 0.830 474 R CB 0.478 30.780 30.300 0.004 0.000 1.154 474 R HN 0.705 nan 8.270 nan 0.000 0.458 475 F N 0.478 120.444 119.950 0.027 0.000 2.523 475 F HA 0.638 5.165 4.527 0.001 0.000 0.329 475 F C -0.815 175.004 175.800 0.032 0.000 1.061 475 F CA -0.969 57.055 58.000 0.041 0.000 0.967 475 F CB 1.587 40.641 39.000 0.091 0.000 1.218 475 F HN 0.144 nan 8.300 nan 0.000 0.480 476 T N 2.782 117.377 114.554 0.068 0.000 2.797 476 T HA 0.453 4.804 4.350 0.001 0.000 0.279 476 T C -0.859 173.901 174.700 0.099 0.000 0.991 476 T CA -0.497 61.543 62.100 -0.100 0.000 0.979 476 T CB 0.581 69.366 68.868 -0.137 0.000 0.943 476 T HN 0.867 nan 8.240 nan 0.000 0.444 477 H N 1.222 120.373 119.070 0.135 0.000 2.985 477 H HA 0.600 5.156 4.556 0.001 0.000 0.360 477 H C -1.013 174.624 175.328 0.514 0.000 1.221 477 H CA -1.150 55.090 56.048 0.320 0.000 1.121 477 H CB 1.106 30.971 29.762 0.171 0.000 1.854 477 H HN 0.433 nan 8.280 nan 0.000 0.551 478 L N 1.227 122.939 121.223 0.816 0.000 2.483 478 L HA 0.169 4.510 4.340 0.001 0.000 0.275 478 L C -0.080 177.122 176.870 0.552 0.000 1.220 478 L CA 0.648 55.829 54.840 0.569 0.000 0.833 478 L CB 0.439 42.770 42.059 0.454 0.000 1.102 478 L HN 0.810 nan 8.230 nan 0.000 0.490 479 Q N 2.262 122.243 119.800 0.302 0.000 2.482 479 Q HA 0.434 4.774 4.340 0.001 0.000 0.286 479 Q C -1.676 174.424 176.000 0.166 0.000 1.007 479 Q CA -0.632 55.317 55.803 0.244 0.000 0.801 479 Q CB 1.389 30.195 28.738 0.113 0.000 1.455 479 Q HN 0.797 nan 8.270 nan 0.000 0.398 480 H N -0.422 118.727 119.070 0.131 0.000 2.797 480 H HA 0.603 5.159 4.556 0.001 0.000 0.372 480 H C -1.034 174.359 175.328 0.109 0.000 1.168 480 H CA -0.903 55.207 56.048 0.103 0.000 1.163 480 H CB 1.306 31.147 29.762 0.132 0.000 1.778 480 H HN 0.516 nan 8.280 nan 0.000 0.551 481 D N 1.435 121.928 120.400 0.154 0.000 2.372 481 D HA 0.067 4.708 4.640 0.001 0.000 0.243 481 D C 0.425 176.928 176.300 0.338 0.000 1.121 481 D CA -0.026 54.054 54.000 0.134 0.000 0.898 481 D CB 0.969 41.837 40.800 0.112 0.000 1.202 481 D HN 0.380 nan 8.370 nan 0.000 0.428 482 E N 0.819 121.142 120.200 0.206 0.000 2.374 482 E HA 0.459 4.810 4.350 0.001 0.000 0.260 482 E C -0.064 176.679 176.600 0.238 0.000 1.101 482 E CA -0.252 56.274 56.400 0.209 0.000 0.907 482 E CB 0.746 30.480 29.700 0.056 0.000 1.014 482 E HN 0.401 nan 8.360 nan 0.000 0.427 483 F N -1.707 118.247 119.950 0.007 0.000 2.831 483 F HA 0.503 5.030 4.527 0.001 0.000 0.318 483 F C -1.018 174.693 175.800 -0.148 0.000 1.174 483 F CA -1.175 56.779 58.000 -0.077 0.000 0.918 483 F CB 1.515 40.444 39.000 -0.118 0.000 1.364 483 F HN 0.238 nan 8.300 nan 0.000 0.475 484 Q N 0.844 120.651 119.800 0.012 0.000 2.305 484 Q HA 0.460 4.801 4.340 0.001 0.000 0.271 484 Q C -2.036 173.971 176.000 0.011 0.000 1.046 484 Q CA -0.840 54.912 55.803 -0.086 0.000 0.798 484 Q CB 2.089 30.817 28.738 -0.015 0.000 1.286 484 Q HN 0.674 nan 8.270 nan 0.000 0.435 485 Y N 1.006 121.412 120.300 0.177 0.000 2.336 485 Y HA 0.399 4.949 4.550 0.001 0.000 0.331 485 Y C -0.052 175.921 175.900 0.123 0.000 1.211 485 Y CA -0.486 57.724 58.100 0.185 0.000 1.346 485 Y CB 1.005 39.585 38.460 0.200 0.000 1.271 485 Y HN 0.257 nan 8.280 nan 0.000 0.538 486 V N 4.782 124.859 119.914 0.271 0.000 2.483 486 V HA 0.470 4.591 4.120 0.001 0.000 0.297 486 V C -0.477 175.711 176.094 0.156 0.000 1.027 486 V CA -0.931 61.474 62.300 0.174 0.000 0.855 486 V CB 1.318 33.210 31.823 0.116 0.000 0.995 486 V HN 0.544 nan 8.190 nan 0.000 0.424 487 I N 3.825 124.474 120.570 0.132 0.000 2.436 487 I HA 0.498 4.668 4.170 0.001 0.000 0.289 487 I C -0.292 175.860 176.117 0.059 0.000 1.010 487 I CA -0.450 60.904 61.300 0.091 0.000 1.098 487 I CB 2.053 40.106 38.000 0.090 0.000 1.266 487 I HN 0.514 nan 8.210 nan 0.000 0.434 488 E N 5.961 126.183 120.200 0.036 0.000 2.133 488 E HA 0.524 4.874 4.350 0.001 0.000 0.274 488 E C -1.087 175.513 176.600 0.001 0.000 0.930 488 E CA -0.526 55.886 56.400 0.020 0.000 0.770 488 E CB 2.966 32.676 29.700 0.018 0.000 1.104 488 E HN 0.333 nan 8.360 nan 0.000 0.403 489 V N 3.426 123.336 119.914 -0.006 0.000 2.760 489 V HA 0.373 4.493 4.120 0.001 0.000 0.309 489 V C -1.294 174.778 176.094 -0.037 0.000 1.077 489 V CA -0.802 61.483 62.300 -0.026 0.000 0.910 489 V CB 2.280 34.085 31.823 -0.030 0.000 1.008 489 V HN 0.507 nan 8.190 nan 0.000 0.424 490 N N 4.752 123.421 118.700 -0.051 0.000 2.437 490 N HA 0.346 5.086 4.740 0.001 0.000 0.259 490 N C -0.740 174.718 175.510 -0.086 0.000 0.983 490 N CA -0.103 52.913 53.050 -0.056 0.000 0.937 490 N CB 1.021 39.477 38.487 -0.051 0.000 1.122 490 N HN 0.773 nan 8.380 nan 0.000 0.499 491 N N 1.911 120.561 118.700 -0.085 0.000 2.437 491 N HA 0.082 4.823 4.740 0.001 0.000 0.243 491 N C -0.053 175.404 175.510 -0.088 0.000 1.041 491 N CA -0.178 52.805 53.050 -0.112 0.000 0.940 491 N CB 0.364 38.793 38.487 -0.096 0.000 1.133 491 N HN 0.495 nan 8.380 nan 0.000 0.506 492 T N -0.532 113.965 114.554 -0.096 0.000 3.251 492 T HA 0.069 4.420 4.350 0.001 0.000 0.259 492 T C 1.081 175.746 174.700 -0.059 0.000 0.998 492 T CA 0.138 62.197 62.100 -0.068 0.000 0.905 492 T CB -0.483 68.348 68.868 -0.062 0.000 1.067 492 T HN 0.438 nan 8.240 nan 0.000 0.569 493 T N -3.366 111.151 114.554 -0.062 0.000 3.000 493 T HA 0.511 4.862 4.350 0.001 0.000 0.248 493 T C 1.939 176.622 174.700 -0.029 0.000 1.034 493 T CA 0.524 62.596 62.100 -0.046 0.000 1.060 493 T CB -0.061 68.777 68.868 -0.050 0.000 0.983 493 T HN 0.839 nan 8.240 nan 0.000 0.482 494 G N 0.393 109.176 108.800 -0.029 0.000 2.195 494 G HA2 0.163 4.124 3.960 0.001 0.000 0.224 494 G HA3 0.163 4.124 3.960 0.001 0.000 0.224 494 G C 0.295 175.187 174.900 -0.013 0.000 0.990 494 G CA -0.272 44.817 45.100 -0.019 0.000 0.639 494 G HN 1.155 nan 8.290 nan 0.000 0.514 495 G N -0.568 108.224 108.800 -0.014 0.000 2.672 495 G HA2 0.566 4.527 3.960 0.001 0.000 0.292 495 G HA3 0.566 4.527 3.960 0.001 0.000 0.292 495 G C -0.586 174.309 174.900 -0.007 0.000 1.375 495 G CA -0.488 44.608 45.100 -0.006 0.000 0.890 495 G HN 0.393 nan 8.290 nan 0.000 0.476 496 N N -0.639 118.060 118.700 -0.002 0.000 2.412 496 N HA 0.339 5.080 4.740 0.001 0.000 0.254 496 N C -0.395 175.125 175.510 0.018 0.000 1.232 496 N CA 0.340 53.388 53.050 -0.003 0.000 0.880 496 N CB 0.761 39.244 38.487 -0.007 0.000 1.076 496 N HN 0.261 nan 8.380 nan 0.000 0.458 497 L N 1.756 122.992 121.223 0.022 0.000 2.354 497 L HA 0.546 4.887 4.340 0.001 0.000 0.264 497 L C -0.463 176.458 176.870 0.085 0.000 1.008 497 L CA -0.932 53.963 54.840 0.091 0.000 0.819 497 L CB 1.707 43.820 42.059 0.090 0.000 1.339 497 L HN 0.340 nan 8.230 nan 0.000 0.420 498 M N 1.287 120.978 119.600 0.153 0.000 2.268 498 M HA 0.489 4.970 4.480 0.001 0.000 0.344 498 M C 0.052 176.485 176.300 0.221 0.000 1.106 498 M CA -0.335 54.989 55.300 0.040 0.000 1.010 498 M CB 1.374 33.872 32.600 -0.171 0.000 1.649 498 M HN 0.670 nan 8.290 nan 0.000 0.443 499 G N 1.612 110.490 108.800 0.129 0.000 2.453 499 G HA2 0.655 4.616 3.960 0.001 0.000 0.323 499 G HA3 0.655 4.616 3.960 0.001 0.000 0.323 499 G C -1.022 173.931 174.900 0.089 0.000 1.198 499 G CA -0.354 44.859 45.100 0.188 0.000 0.959 499 G HN 0.558 nan 8.290 nan 0.000 0.482 500 T N 1.245 115.852 114.554 0.089 0.000 2.753 500 T HA 0.372 4.722 4.350 0.001 0.000 0.297 500 T C 0.247 174.878 174.700 -0.114 0.000 0.981 500 T CA -0.213 61.900 62.100 0.022 0.000 0.956 500 T CB 1.157 70.078 68.868 0.089 0.000 0.936 500 T HN 0.302 nan 8.240 nan 0.000 0.463 501 V N 5.704 125.380 119.914 -0.395 0.000 2.488 501 V HA 0.374 4.494 4.120 0.001 0.000 0.277 501 V C 0.476 176.368 176.094 -0.336 0.000 1.046 501 V CA -0.486 61.501 62.300 -0.522 0.000 0.986 501 V CB 0.368 31.496 31.823 -1.159 0.000 0.989 501 V HN 0.724 nan 8.190 nan 0.000 0.475 502 R N 5.553 126.004 120.500 -0.082 0.000 2.451 502 R HA 0.688 5.028 4.340 0.001 0.000 0.307 502 R C -1.234 175.176 176.300 0.183 0.000 0.965 502 R CA -0.501 55.659 56.100 0.101 0.000 0.865 502 R CB 1.955 32.454 30.300 0.330 0.000 1.174 502 R HN 0.605 nan 8.270 nan 0.000 0.455 503 I N 3.687 124.274 120.570 0.028 0.000 2.406 503 I HA 0.471 4.641 4.170 0.001 0.000 0.290 503 I C -0.819 175.289 176.117 -0.016 0.000 0.999 503 I CA -0.648 60.691 61.300 0.064 0.000 1.124 503 I CB 1.114 39.004 38.000 -0.184 0.000 1.289 503 I HN 0.373 nan 8.210 nan 0.000 0.441 504 F N 5.528 125.676 119.950 0.330 0.000 2.620 504 F HA 0.690 5.218 4.527 0.001 0.000 0.320 504 F C -0.019 175.898 175.800 0.195 0.000 1.069 504 F CA -0.853 57.299 58.000 0.253 0.000 0.953 504 F CB 2.111 41.256 39.000 0.242 0.000 1.322 504 F HN 0.318 nan 8.300 nan 0.000 0.479 505 M N 1.437 121.210 119.600 0.289 0.000 2.518 505 M HA 0.982 5.463 4.480 0.001 0.000 0.300 505 M C -1.736 174.598 176.300 0.057 0.000 1.175 505 M CA -0.664 54.738 55.300 0.171 0.000 0.890 505 M CB 2.530 35.219 32.600 0.148 0.000 1.710 505 M HN 0.603 nan 8.290 nan 0.000 0.453 506 A N 1.771 124.586 122.820 -0.008 0.000 2.454 506 A HA 0.996 5.316 4.320 0.001 0.000 0.302 506 A C -3.017 174.542 177.584 -0.042 0.000 1.079 506 A CA -1.850 50.142 52.037 -0.077 0.000 0.731 506 A CB 1.368 20.241 19.000 -0.212 0.000 1.299 506 A HN 0.598 nan 8.150 nan 0.000 0.413 507 P HA 0.079 nan 4.420 nan 0.000 0.267 507 P C 0.372 177.598 177.300 -0.124 0.000 1.200 507 P CA -0.055 63.005 63.100 -0.067 0.000 0.772 507 P CB 0.605 32.317 31.700 0.020 0.000 0.855 508 K N 1.014 121.301 120.400 -0.187 0.000 2.103 508 K HA 0.030 4.351 4.320 0.001 0.000 0.204 508 K C 0.850 177.387 176.600 -0.106 0.000 1.052 508 K CA 1.189 57.396 56.287 -0.134 0.000 0.945 508 K CB -0.304 32.105 32.500 -0.150 0.000 0.722 508 K HN 0.469 nan 8.250 nan 0.000 0.443 509 V N -0.184 119.659 119.914 -0.118 0.000 3.074 509 V HA 0.373 4.494 4.120 0.001 0.000 0.314 509 V C -0.390 175.675 176.094 -0.049 0.000 1.117 509 V CA -1.360 60.895 62.300 -0.074 0.000 1.014 509 V CB 1.903 33.688 31.823 -0.065 0.000 1.057 509 V HN 0.129 nan 8.190 nan 0.000 0.438 510 D N 0.806 121.184 120.400 -0.036 0.000 2.478 510 D HA 0.156 4.796 4.640 0.001 0.000 0.274 510 D C 0.789 177.083 176.300 -0.010 0.000 1.234 510 D CA 0.293 54.277 54.000 -0.026 0.000 1.069 510 D CB 0.226 41.005 40.800 -0.035 0.000 1.113 510 D HN 0.690 nan 8.370 nan 0.000 0.571 511 D N -1.140 119.251 120.400 -0.014 0.000 2.310 511 D HA -0.165 4.475 4.640 0.001 0.000 0.212 511 D C 0.304 176.599 176.300 -0.007 0.000 0.965 511 D CA 0.543 54.537 54.000 -0.011 0.000 0.879 511 D CB -0.554 40.230 40.800 -0.026 0.000 0.921 511 D HN 0.274 nan 8.370 nan 0.000 0.510 512 N N 0.174 118.868 118.700 -0.009 0.000 2.276 512 N HA 0.201 4.942 4.740 0.001 0.000 0.212 512 N C 1.156 176.662 175.510 -0.006 0.000 1.127 512 N CA 0.619 53.665 53.050 -0.007 0.000 0.834 512 N CB 0.805 39.287 38.487 -0.009 0.000 1.014 512 N HN 0.397 nan 8.380 nan 0.000 0.491 513 G N 0.777 109.574 108.800 -0.006 0.000 2.168 513 G HA2 -0.255 3.706 3.960 0.001 0.000 0.257 513 G HA3 -0.255 3.706 3.960 0.001 0.000 0.257 513 G C -0.096 174.794 174.900 -0.018 0.000 0.997 513 G CA 0.145 45.239 45.100 -0.010 0.000 0.708 513 G HN 0.233 nan 8.290 nan 0.000 0.520 514 Q N -0.128 119.661 119.800 -0.019 0.000 2.235 514 Q HA 0.501 4.842 4.340 0.001 0.000 0.256 514 Q C -2.365 173.619 176.000 -0.026 0.000 0.951 514 Q CA -2.221 53.571 55.803 -0.019 0.000 0.890 514 Q CB 1.486 30.215 28.738 -0.015 0.000 1.279 514 Q HN 0.182 nan 8.270 nan 0.000 0.444 515 P HA 0.106 nan 4.420 nan 0.000 0.269 515 P C -0.516 176.770 177.300 -0.022 0.000 1.215 515 P CA 0.337 63.423 63.100 -0.023 0.000 0.780 515 P CB 0.544 32.238 31.700 -0.011 0.000 0.898 516 M N 0.942 120.525 119.600 -0.029 0.000 2.508 516 M HA 0.283 4.763 4.480 0.001 0.000 0.327 516 M C 0.639 176.931 176.300 -0.015 0.000 1.160 516 M CA -0.621 54.657 55.300 -0.036 0.000 0.980 516 M CB 1.683 34.241 32.600 -0.070 0.000 1.693 516 M HN 0.335 nan 8.290 nan 0.000 0.452 517 S N 1.126 116.823 115.700 -0.006 0.000 2.576 517 S HA 0.060 4.530 4.470 0.001 0.000 0.272 517 S C 0.781 175.399 174.600 0.030 0.000 1.352 517 S CA -0.419 57.801 58.200 0.034 0.000 1.021 517 S CB 0.356 63.577 63.200 0.035 0.000 0.887 517 S HN 0.721 nan 8.310 nan 0.000 0.542 518 F N 2.359 122.277 119.950 -0.052 0.000 2.120 518 F HA -0.168 4.359 4.527 0.001 0.000 0.300 518 F C 1.889 177.621 175.800 -0.113 0.000 1.095 518 F CA 2.135 60.079 58.000 -0.094 0.000 1.249 518 F CB -0.541 38.406 39.000 -0.087 0.000 0.995 518 F HN 0.576 nan 8.300 nan 0.000 0.480 519 N N 0.437 119.165 118.700 0.046 0.000 2.364 519 N HA -0.132 4.609 4.740 0.001 0.000 0.183 519 N C 1.660 177.073 175.510 -0.162 0.000 1.022 519 N CA 0.923 53.947 53.050 -0.043 0.000 0.883 519 N CB -0.228 38.293 38.487 0.056 0.000 0.965 519 N HN 0.335 nan 8.380 nan 0.000 0.438 520 K N 0.620 120.927 120.400 -0.155 0.000 2.078 520 K HA -0.004 4.317 4.320 0.001 0.000 0.203 520 K C 1.894 178.351 176.600 -0.240 0.000 1.043 520 K CA 0.491 56.684 56.287 -0.157 0.000 0.960 520 K CB -0.392 32.049 32.500 -0.099 0.000 0.761 520 K HN 0.295 nan 8.250 nan 0.000 0.448 521 Q N 1.636 121.258 119.800 -0.298 0.000 2.167 521 Q HA -0.153 4.188 4.340 0.001 0.000 0.202 521 Q C 1.996 177.682 176.000 -0.522 0.000 0.970 521 Q CA 1.225 56.820 55.803 -0.346 0.000 0.855 521 Q CB 0.039 28.599 28.738 -0.297 0.000 0.911 521 Q HN 0.278 nan 8.270 nan 0.000 0.438 522 R N -0.252 119.813 120.500 -0.725 0.000 2.127 522 R HA -0.135 4.206 4.340 0.001 0.000 0.238 522 R C 1.753 177.751 176.300 -0.504 0.000 1.134 522 R CA 1.488 57.085 56.100 -0.839 0.000 0.975 522 R CB -0.391 29.331 30.300 -0.963 0.000 0.865 522 R HN 0.162 nan 8.270 nan 0.000 0.447 523 R N 0.543 120.840 120.500 -0.338 0.000 2.307 523 R HA 0.118 4.459 4.340 0.001 0.000 0.199 523 R C 1.273 177.458 176.300 -0.192 0.000 1.000 523 R CA 0.598 56.578 56.100 -0.200 0.000 1.023 523 R CB 0.049 30.270 30.300 -0.132 0.000 0.908 523 R HN 0.291 nan 8.270 nan 0.000 0.473 524 L N 0.168 121.242 121.223 -0.249 0.000 2.728 524 L HA 0.245 4.586 4.340 0.001 0.000 0.238 524 L C 0.101 176.838 176.870 -0.222 0.000 1.143 524 L CA -0.338 54.386 54.840 -0.195 0.000 0.937 524 L CB 0.365 42.328 42.059 -0.160 0.000 1.225 524 L HN 0.071 nan 8.230 nan 0.000 0.507 525 M N 2.780 122.169 119.600 -0.351 0.000 2.266 525 M HA 0.230 4.711 4.480 0.001 0.000 0.340 525 M C -0.023 176.299 176.300 0.036 0.000 1.486 525 M CA 0.163 55.249 55.300 -0.358 0.000 1.209 525 M CB 0.425 32.379 32.600 -1.076 0.000 1.714 525 M HN 0.107 nan 8.290 nan 0.000 0.459 526 I N 0.778 121.421 120.570 0.122 0.000 2.353 526 I HA 0.437 4.607 4.170 0.001 0.000 0.293 526 I C -0.008 176.229 176.117 0.200 0.000 0.992 526 I CA -0.616 60.767 61.300 0.138 0.000 1.268 526 I CB 1.312 39.328 38.000 0.026 0.000 1.387 526 I HN 0.606 nan 8.210 nan 0.000 0.478 527 E N 5.110 125.375 120.200 0.108 0.000 2.338 527 E HA 0.241 4.592 4.350 0.001 0.000 0.272 527 E C -0.120 176.374 176.600 -0.175 0.000 1.029 527 E CA -0.277 55.964 56.400 -0.264 0.000 0.872 527 E CB 1.359 30.967 29.700 -0.153 0.000 1.015 527 E HN 0.824 nan 8.360 nan 0.000 0.417 528 L N 2.840 123.946 121.223 -0.195 0.000 2.685 528 L HA 0.349 4.689 4.340 0.001 0.000 0.235 528 L C 0.100 176.967 176.870 -0.006 0.000 1.070 528 L CA -0.009 54.824 54.840 -0.012 0.000 0.888 528 L CB 0.635 42.782 42.059 0.146 0.000 1.203 528 L HN 0.477 nan 8.230 nan 0.000 0.499 529 D N -0.402 119.944 120.400 -0.090 0.000 2.720 529 D HA 0.280 4.921 4.640 0.001 0.000 0.239 529 D C -1.591 174.726 176.300 0.029 0.000 1.218 529 D CA -0.404 53.612 54.000 0.026 0.000 0.748 529 D CB 2.224 43.100 40.800 0.126 0.000 1.387 529 D HN -0.242 nan 8.370 nan 0.000 0.438 530 K N 2.378 122.860 120.400 0.136 0.000 2.581 530 K HA 0.543 4.864 4.320 0.001 0.000 0.249 530 K C -1.626 175.123 176.600 0.247 0.000 0.966 530 K CA -0.650 55.705 56.287 0.113 0.000 0.811 530 K CB 1.124 33.669 32.500 0.074 0.000 1.223 530 K HN 0.354 nan 8.250 nan 0.000 0.438 531 F N -0.282 119.686 119.950 0.030 0.000 2.654 531 F HA 0.470 4.997 4.527 0.001 0.000 0.308 531 F C -0.686 175.145 175.800 0.050 0.000 1.108 531 F CA -1.074 56.945 58.000 0.031 0.000 0.957 531 F CB 0.942 39.946 39.000 0.006 0.000 1.309 531 F HN 0.273 nan 8.300 nan 0.000 0.446 532 S N 1.376 117.177 115.700 0.169 0.000 2.565 532 S HA 0.626 5.096 4.470 0.001 0.000 0.274 532 S C -0.695 173.915 174.600 0.017 0.000 1.309 532 S CA -0.448 57.754 58.200 0.004 0.000 1.043 532 S CB 1.625 64.752 63.200 -0.120 0.000 0.939 532 S HN 0.883 nan 8.310 nan 0.000 0.504 533 Q N 1.101 120.844 119.800 -0.095 0.000 2.271 533 Q HA 0.614 4.954 4.340 0.001 0.000 0.268 533 Q C -0.926 175.023 176.000 -0.085 0.000 1.021 533 Q CA -0.392 55.401 55.803 -0.018 0.000 0.802 533 Q CB 1.845 30.612 28.738 0.047 0.000 1.282 533 Q HN 1.055 nan 8.270 nan 0.000 0.431 534 A N 4.539 127.310 122.820 -0.082 0.000 2.440 534 A HA 0.596 4.917 4.320 0.001 0.000 0.251 534 A C -0.858 176.707 177.584 -0.032 0.000 1.089 534 A CA -0.105 51.884 52.037 -0.080 0.000 0.779 534 A CB 0.221 19.172 19.000 -0.082 0.000 1.022 534 A HN 0.718 nan 8.150 nan 0.000 0.492 535 L N 3.783 124.990 121.223 -0.026 0.000 2.406 535 L HA 0.370 4.711 4.340 0.001 0.000 0.270 535 L C 0.143 176.997 176.870 -0.027 0.000 0.982 535 L CA -0.527 54.300 54.840 -0.021 0.000 0.843 535 L CB 1.398 43.444 42.059 -0.023 0.000 1.225 535 L HN 0.835 nan 8.230 nan 0.000 0.412 536 R N 2.329 122.814 120.500 -0.025 0.000 2.637 536 R HA 0.363 4.704 4.340 0.001 0.000 0.269 536 R C -2.362 173.920 176.300 -0.031 0.000 1.089 536 R CA -1.801 54.284 56.100 -0.024 0.000 1.177 536 R CB 0.216 30.505 30.300 -0.019 0.000 1.091 536 R HN 0.254 nan 8.270 nan 0.000 0.540 537 P HA -0.058 nan 4.420 nan 0.000 0.264 537 P C 0.086 177.371 177.300 -0.025 0.000 1.183 537 P CA 0.358 63.440 63.100 -0.030 0.000 0.763 537 P CB 0.566 32.252 31.700 -0.023 0.000 0.807 538 G N 1.922 110.707 108.800 -0.025 0.000 2.850 538 G HA2 0.075 4.036 3.960 0.001 0.000 0.207 538 G HA3 0.075 4.036 3.960 0.001 0.000 0.207 538 G C 0.017 174.898 174.900 -0.033 0.000 1.174 538 G CA 0.220 45.300 45.100 -0.033 0.000 0.844 538 G HN 0.619 nan 8.290 nan 0.000 0.635 539 T N 0.155 114.695 114.554 -0.023 0.000 2.907 539 T HA 0.556 4.906 4.350 0.001 0.000 0.298 539 T C -0.598 174.095 174.700 -0.012 0.000 1.017 539 T CA -0.416 61.673 62.100 -0.018 0.000 1.118 539 T CB 1.555 70.416 68.868 -0.011 0.000 0.948 539 T HN 0.137 nan 8.240 nan 0.000 0.531 540 N N 0.842 119.537 118.700 -0.008 0.000 2.235 540 N HA 0.513 5.253 4.740 0.001 0.000 0.293 540 N C -1.369 174.150 175.510 0.014 0.000 1.083 540 N CA -0.802 52.249 53.050 0.001 0.000 0.801 540 N CB 2.399 40.885 38.487 -0.001 0.000 1.559 540 N HN 0.679 nan 8.380 nan 0.000 0.472 541 T N 1.629 116.197 114.554 0.024 0.000 2.809 541 T HA 0.490 4.841 4.350 0.001 0.000 0.296 541 T C -0.141 174.591 174.700 0.054 0.000 1.015 541 T CA -0.376 61.747 62.100 0.037 0.000 0.954 541 T CB 0.065 68.952 68.868 0.032 0.000 0.950 541 T HN 0.270 nan 8.240 nan 0.000 0.450 542 I N 3.632 124.249 120.570 0.079 0.000 2.331 542 I HA 0.434 4.605 4.170 0.001 0.000 0.292 542 I C 0.507 176.701 176.117 0.128 0.000 0.998 542 I CA -0.696 60.674 61.300 0.117 0.000 1.267 542 I CB 0.997 39.101 38.000 0.173 0.000 1.386 542 I HN 0.287 nan 8.210 nan 0.000 0.476 543 R N 5.007 125.566 120.500 0.098 0.000 2.387 543 R HA 0.621 4.962 4.340 0.001 0.000 0.314 543 R C -0.656 175.672 176.300 0.047 0.000 0.958 543 R CA -0.959 55.192 56.100 0.087 0.000 0.846 543 R CB 2.049 32.379 30.300 0.049 0.000 1.147 543 R HN 0.416 nan 8.270 nan 0.000 0.447 544 R N 2.242 122.793 120.500 0.085 0.000 2.513 544 R HA 0.289 4.630 4.340 0.001 0.000 0.301 544 R C -0.858 175.442 176.300 0.001 0.000 0.968 544 R CA -0.626 55.457 56.100 -0.029 0.000 0.872 544 R CB 0.990 31.259 30.300 -0.052 0.000 1.177 544 R HN 0.493 nan 8.270 nan 0.000 0.444 545 R N 2.107 122.539 120.500 -0.113 0.000 2.390 545 R HA 0.134 4.475 4.340 0.001 0.000 0.291 545 R C 1.026 177.190 176.300 -0.227 0.000 1.070 545 R CA 0.374 56.373 56.100 -0.168 0.000 1.014 545 R CB 1.070 31.282 30.300 -0.145 0.000 1.007 545 R HN 0.983 nan 8.270 nan 0.000 0.466 546 S N 1.573 116.974 115.700 -0.499 0.000 2.387 546 S HA -0.185 4.286 4.470 0.001 0.000 0.230 546 S C 2.001 176.539 174.600 -0.104 0.000 1.035 546 S CA 1.582 59.429 58.200 -0.589 0.000 1.014 546 S CB -0.693 61.665 63.200 -1.402 0.000 0.836 546 S HN 0.606 nan 8.310 nan 0.000 0.466 547 V N -0.020 119.821 119.914 -0.120 0.000 2.867 547 V HA -0.065 4.055 4.120 0.001 0.000 0.260 547 V C 1.231 177.195 176.094 -0.217 0.000 1.099 547 V CA 1.888 64.064 62.300 -0.207 0.000 1.122 547 V CB -0.896 30.824 31.823 -0.173 0.000 0.708 547 V HN 0.279 nan 8.190 nan 0.000 0.490 548 D N 0.717 121.031 120.400 -0.142 0.000 2.339 548 D HA 0.116 4.756 4.640 0.001 0.000 0.217 548 D C 1.194 177.445 176.300 -0.081 0.000 1.050 548 D CA 0.675 54.597 54.000 -0.131 0.000 0.856 548 D CB 0.298 40.998 40.800 -0.167 0.000 0.922 548 D HN 0.548 nan 8.370 nan 0.000 0.518 549 S N 0.816 116.511 115.700 -0.008 0.000 2.642 549 S HA -0.082 4.389 4.470 0.001 0.000 0.308 549 S C 1.547 176.161 174.600 0.024 0.000 1.255 549 S CA 0.088 58.324 58.200 0.059 0.000 1.057 549 S CB 0.510 63.810 63.200 0.167 0.000 0.785 549 S HN 0.240 nan 8.310 nan 0.000 0.500 550 S N 3.688 119.403 115.700 0.025 0.000 2.603 550 S HA 0.007 4.478 4.470 0.001 0.000 0.229 550 S C 1.178 175.753 174.600 -0.041 0.000 0.972 550 S CA 0.535 58.740 58.200 0.008 0.000 0.935 550 S CB -0.080 63.144 63.200 0.039 0.000 0.769 550 S HN 0.597 nan 8.310 nan 0.000 0.536 551 V N 1.458 121.324 119.914 -0.081 0.000 3.085 551 V HA 0.148 4.269 4.120 0.001 0.000 0.245 551 V C 1.451 177.492 176.094 -0.088 0.000 1.114 551 V CA 1.159 63.304 62.300 -0.258 0.000 1.108 551 V CB -0.253 31.330 31.823 -0.401 0.000 0.798 551 V HN 0.803 nan 8.190 nan 0.000 0.471 552 T N 0.075 114.670 114.554 0.068 0.000 2.950 552 T HA 0.749 5.099 4.350 0.001 0.000 0.288 552 T C -0.490 174.273 174.700 0.105 0.000 1.035 552 T CA -0.626 61.580 62.100 0.178 0.000 1.028 552 T CB 2.246 71.346 68.868 0.386 0.000 1.109 552 T HN 0.255 nan 8.240 nan 0.000 0.514 553 I N -1.263 119.369 120.570 0.104 0.000 2.648 553 I HA 0.687 4.858 4.170 0.001 0.000 0.304 553 I C -2.738 173.411 176.117 0.054 0.000 1.009 553 I CA -3.218 58.105 61.300 0.038 0.000 1.114 553 I CB 1.856 39.862 38.000 0.009 0.000 1.293 553 I HN 0.382 nan 8.210 nan 0.000 0.449 554 P HA 0.027 nan 4.420 nan 0.000 0.274 554 P C 0.006 177.365 177.300 0.100 0.000 1.246 554 P CA 0.006 63.127 63.100 0.036 0.000 0.795 554 P CB 0.740 32.424 31.700 -0.027 0.000 1.006 555 Y N 1.704 122.051 120.300 0.078 0.000 2.128 555 Y HA -0.267 4.283 4.550 0.001 0.000 0.284 555 Y C 2.374 178.304 175.900 0.051 0.000 1.154 555 Y CA 2.336 60.487 58.100 0.085 0.000 1.149 555 Y CB -0.282 38.224 38.460 0.077 0.000 0.976 555 Y HN 0.426 nan 8.280 nan 0.000 0.505 556 E N 0.418 120.711 120.200 0.155 0.000 2.204 556 E HA -0.286 4.065 4.350 0.001 0.000 0.195 556 E C 2.115 178.693 176.600 -0.035 0.000 0.990 556 E CA 1.344 57.786 56.400 0.071 0.000 0.821 556 E CB -0.553 29.197 29.700 0.083 0.000 0.750 556 E HN 0.356 nan 8.360 nan 0.000 0.477 557 R N 1.645 122.112 120.500 -0.055 0.000 2.096 557 R HA -0.062 4.279 4.340 0.001 0.000 0.240 557 R C 0.699 176.931 176.300 -0.112 0.000 1.139 557 R CA 1.929 57.976 56.100 -0.088 0.000 0.952 557 R CB -0.816 29.429 30.300 -0.092 0.000 0.854 557 R HN 0.244 nan 8.270 nan 0.000 0.436 579 F N 1.144 121.027 119.950 -0.110 0.000 2.578 579 F HA 0.280 4.807 4.527 0.001 0.000 0.376 579 F C 0.466 176.194 175.800 -0.121 0.000 1.085 579 F CA 0.019 57.943 58.000 -0.127 0.000 1.260 579 F CB 0.478 39.392 39.000 -0.143 0.000 1.095 579 F HN 0.406 nan 8.300 nan 0.000 0.573 580 c N 6.222 124.216 118.600 -1.010 0.000 3.177 580 c HA 0.392 4.962 4.570 0.001 0.000 0.264 580 c C 1.103 174.675 174.090 -0.862 0.000 2.151 580 c CA 0.094 55.987 56.329 -0.727 0.000 1.254 580 c CB -1.003 41.305 42.510 -0.337 0.000 2.264 580 c HN 1.064 nan 8.230 nan 0.000 0.571 581 G N -0.259 107.563 108.800 -1.630 0.000 2.796 581 G HA2 0.168 4.129 3.960 0.001 0.000 0.210 581 G HA3 0.168 4.129 3.960 0.001 0.000 0.210 581 G C 0.777 175.413 174.900 -0.440 0.000 1.146 581 G CA 0.544 45.016 45.100 -1.046 0.000 0.779 581 G HN 0.683 nan 8.290 nan 0.000 0.535 582 c N 1.337 119.828 118.600 -0.182 0.000 2.662 582 c HA 0.621 5.191 4.570 0.001 0.000 0.420 582 c C 0.965 175.242 174.090 0.311 0.000 1.314 582 c CA 1.066 57.548 56.329 0.255 0.000 1.963 582 c CB -0.822 41.872 42.510 0.307 0.000 2.686 582 c HN 0.942 nan 8.230 nan 0.000 0.609 583 G N 5.321 114.491 108.800 0.616 0.000 2.312 583 G HA2 0.102 4.063 3.960 0.001 0.000 0.347 583 G HA3 0.102 4.063 3.960 0.001 0.000 0.347 583 G C -1.000 174.048 174.900 0.247 0.000 1.564 583 G CA -0.547 44.799 45.100 0.410 0.000 0.981 583 G HN 1.061 nan 8.290 nan 0.000 0.678 584 W N 3.110 124.298 121.300 -0.186 0.000 2.223 584 W HA 0.372 5.033 4.660 0.001 0.000 0.334 584 W C -1.861 174.628 176.519 -0.049 0.000 1.334 584 W CA -1.084 56.130 57.345 -0.218 0.000 1.246 584 W CB 1.145 30.509 29.460 -0.161 0.000 1.184 584 W HN 0.442 nan 8.180 nan 0.000 0.563 585 P HA -0.070 nan 4.420 nan 0.000 0.271 585 P C 0.122 177.333 177.300 -0.149 0.000 1.216 585 P CA 0.546 63.467 63.100 -0.297 0.000 0.771 585 P CB 0.878 32.248 31.700 -0.549 0.000 0.864 586 H N 3.257 122.340 119.070 0.021 0.000 2.422 586 H HA -0.192 4.365 4.556 0.001 0.000 0.298 586 H C 1.886 177.394 175.328 0.301 0.000 1.098 586 H CA 2.023 58.177 56.048 0.176 0.000 1.315 586 H CB -0.373 29.502 29.762 0.187 0.000 1.382 586 H HN 0.524 nan 8.280 nan 0.000 0.523 587 H N -1.827 117.357 119.070 0.189 0.000 2.524 587 H HA -0.021 4.535 4.556 0.001 0.000 0.282 587 H C 0.736 176.237 175.328 0.287 0.000 1.016 587 H CA 0.855 57.021 56.048 0.197 0.000 1.270 587 H CB -0.040 29.813 29.762 0.152 0.000 1.394 587 H HN 0.324 nan 8.280 nan 0.000 0.568 588 M N 1.092 120.633 119.600 -0.098 0.000 2.475 588 M HA 0.096 4.577 4.480 0.001 0.000 0.261 588 M C 1.610 178.141 176.300 0.386 0.000 1.177 588 M CA -0.294 55.074 55.300 0.114 0.000 0.979 588 M CB 0.085 32.577 32.600 -0.180 0.000 1.482 588 M HN 0.191 nan 8.290 nan 0.000 0.484 589 L N 1.723 123.082 121.223 0.228 0.000 2.042 589 L HA 0.044 4.385 4.340 0.001 0.000 0.210 589 L C 0.853 177.788 176.870 0.109 0.000 1.076 589 L CA 1.662 56.596 54.840 0.156 0.000 0.749 589 L CB -0.065 41.907 42.059 -0.147 0.000 0.893 589 L HN 0.392 nan 8.230 nan 0.000 0.432 590 I N -3.587 116.997 120.570 0.023 0.000 2.603 590 I HA 0.550 4.721 4.170 0.001 0.000 0.300 590 I C -2.404 173.804 176.117 0.151 0.000 1.017 590 I CA -2.442 58.892 61.300 0.057 0.000 1.098 590 I CB 1.169 39.135 38.000 -0.055 0.000 1.279 590 I HN -0.177 nan 8.210 nan 0.000 0.437 591 P HA 0.010 nan 4.420 nan 0.000 0.269 591 P C 0.290 177.626 177.300 0.060 0.000 1.211 591 P CA -0.239 62.930 63.100 0.115 0.000 0.781 591 P CB 0.579 32.294 31.700 0.025 0.000 0.877 592 K N 1.817 122.230 120.400 0.021 0.000 2.113 592 K HA -0.141 4.179 4.320 0.001 0.000 0.208 592 K C 1.101 177.608 176.600 -0.154 0.000 1.047 592 K CA 1.625 57.819 56.287 -0.154 0.000 0.928 592 K CB -0.899 31.381 32.500 -0.366 0.000 0.716 592 K HN 0.774 nan 8.250 nan 0.000 0.446 593 G N -0.286 108.395 108.800 -0.198 0.000 2.645 593 G HA2 -0.314 3.646 3.960 0.001 0.000 0.246 593 G HA3 -0.314 3.646 3.960 0.001 0.000 0.246 593 G C -0.131 174.691 174.900 -0.130 0.000 1.322 593 G CA 0.147 45.168 45.100 -0.132 0.000 0.898 593 G HN 0.620 nan 8.290 nan 0.000 0.573 594 T N -3.992 110.597 114.554 0.059 0.000 2.865 594 T HA 0.852 5.202 4.350 0.001 0.000 0.294 594 T C 1.366 176.169 174.700 0.171 0.000 1.119 594 T CA 0.574 62.726 62.100 0.087 0.000 1.007 594 T CB 1.466 70.395 68.868 0.102 0.000 1.225 594 T HN 2.243 nan 8.240 nan 0.000 0.515 595 A N 0.224 123.152 122.820 0.179 0.000 1.972 595 A HA -0.031 4.290 4.320 0.001 0.000 0.219 595 A C 2.016 179.644 177.584 0.075 0.000 1.169 595 A CA 1.549 53.663 52.037 0.129 0.000 0.635 595 A CB -0.974 18.098 19.000 0.120 0.000 0.810 595 A HN 0.817 nan 8.150 nan 0.000 0.446 596 Q N -1.087 118.759 119.800 0.078 0.000 2.432 596 Q HA 0.394 4.735 4.340 0.001 0.000 0.205 596 Q C 0.701 176.735 176.000 0.056 0.000 0.945 596 Q CA 0.642 56.479 55.803 0.056 0.000 0.924 596 Q CB 0.064 28.835 28.738 0.054 0.000 1.016 596 Q HN 0.930 nan 8.270 nan 0.000 0.503 597 G N 0.632 109.482 108.800 0.083 0.000 3.421 597 G HA2 -0.225 3.736 3.960 0.001 0.000 0.686 597 G HA3 -0.225 3.736 3.960 0.001 0.000 0.686 597 G C -1.542 173.428 174.900 0.117 0.000 1.056 597 G CA -0.932 44.218 45.100 0.083 0.000 0.891 597 G HN 0.188 nan 8.290 nan 0.000 0.514 598 Y N 5.663 125.964 120.300 0.001 0.000 2.341 598 Y HA 0.613 5.164 4.550 0.001 0.000 0.340 598 Y C -1.889 174.005 175.900 -0.011 0.000 0.997 598 Y CA -2.494 55.602 58.100 -0.007 0.000 1.149 598 Y CB 1.786 40.240 38.460 -0.011 0.000 1.171 598 Y HN 0.466 nan 8.280 nan 0.000 0.494 599 P HA 0.188 nan 4.420 nan 0.000 0.282 599 P C -1.102 175.921 177.300 -0.460 0.000 1.262 599 P CA 0.081 62.963 63.100 -0.364 0.000 0.773 599 P CB 1.271 32.807 31.700 -0.274 0.000 0.879 600 V N 1.814 121.603 119.914 -0.207 0.000 3.102 600 V HA 0.649 4.769 4.120 0.001 0.000 0.312 600 V C -0.680 175.390 176.094 -0.041 0.000 1.135 600 V CA -1.241 60.990 62.300 -0.115 0.000 1.022 600 V CB 2.192 34.015 31.823 -0.000 0.000 1.056 600 V HN 0.300 nan 8.190 nan 0.000 0.436 601 V N 3.397 123.309 119.914 -0.004 0.000 2.398 601 V HA 0.655 4.775 4.120 0.001 0.000 0.286 601 V C -0.493 175.673 176.094 0.119 0.000 1.026 601 V CA -0.598 61.736 62.300 0.055 0.000 0.868 601 V CB 1.258 33.118 31.823 0.062 0.000 0.982 601 V HN 1.021 nan 8.190 nan 0.000 0.443 602 L N 7.899 129.213 121.223 0.151 0.000 2.276 602 L HA 0.615 4.955 4.340 0.001 0.000 0.286 602 L C -0.928 176.115 176.870 0.288 0.000 1.061 602 L CA 0.135 55.102 54.840 0.213 0.000 0.807 602 L CB 1.121 43.294 42.059 0.190 0.000 1.177 602 L HN 0.675 nan 8.230 nan 0.000 0.429 603 F N 5.747 125.813 119.950 0.193 0.000 2.520 603 F HA 0.709 5.236 4.527 0.001 0.000 0.322 603 F C -1.325 174.625 175.800 0.249 0.000 1.103 603 F CA -0.696 57.449 58.000 0.242 0.000 0.926 603 F CB 1.773 40.975 39.000 0.336 0.000 1.154 603 F HN 0.348 nan 8.300 nan 0.000 0.453 604 V N 8.087 127.646 119.914 -0.592 0.000 2.656 604 V HA 0.610 4.730 4.120 0.001 0.000 0.307 604 V C -1.361 174.245 176.094 -0.814 0.000 1.051 604 V CA -0.679 61.343 62.300 -0.464 0.000 0.893 604 V CB 1.910 33.616 31.823 -0.195 0.000 0.999 604 V HN 0.964 nan 8.190 nan 0.000 0.426 605 M N 6.921 126.314 119.600 -0.345 0.000 2.395 605 M HA 0.632 5.112 4.480 0.001 0.000 0.307 605 M C -1.871 174.404 176.300 -0.042 0.000 1.091 605 M CA -0.606 54.600 55.300 -0.157 0.000 0.919 605 M CB 1.920 34.568 32.600 0.080 0.000 1.662 605 M HN 0.620 nan 8.290 nan 0.000 0.440 606 I N 4.072 124.637 120.570 -0.008 0.000 2.359 606 I HA 0.286 4.457 4.170 0.001 0.000 0.284 606 I C 0.015 176.223 176.117 0.152 0.000 1.018 606 I CA -0.457 60.877 61.300 0.057 0.000 1.173 606 I CB 1.602 39.643 38.000 0.069 0.000 1.326 606 I HN 0.750 nan 8.210 nan 0.000 0.462 607 S N 4.362 120.106 115.700 0.074 0.000 2.713 607 S HA 0.353 4.824 4.470 0.001 0.000 0.283 607 S C -0.050 174.330 174.600 -0.366 0.000 1.161 607 S CA -0.864 57.308 58.200 -0.046 0.000 0.999 607 S CB 1.552 64.790 63.200 0.064 0.000 1.039 607 S HN 0.565 nan 8.310 nan 0.000 0.548 608 N N 0.672 118.889 118.700 -0.806 0.000 2.416 608 N HA 0.025 4.766 4.740 0.001 0.000 0.265 608 N C 0.296 175.613 175.510 -0.320 0.000 1.195 608 N CA -0.554 51.874 53.050 -1.036 0.000 0.943 608 N CB -0.032 37.851 38.487 -1.007 0.000 1.115 608 N HN 0.894 nan 8.380 nan 0.000 0.481 609 W N 5.434 126.565 121.300 -0.282 0.000 2.350 609 W HA -0.145 4.515 4.660 0.001 0.000 0.289 609 W C 1.154 177.605 176.519 -0.114 0.000 1.215 609 W CA 0.994 58.256 57.345 -0.138 0.000 1.236 609 W CB -0.070 29.353 29.460 -0.062 0.000 1.130 609 W HN 0.563 nan 8.180 nan 0.000 0.541 610 N N 0.593 119.269 118.700 -0.040 0.000 2.149 610 N HA -0.204 4.537 4.740 0.001 0.000 0.188 610 N C 0.959 176.300 175.510 -0.282 0.000 1.019 610 N CA 1.775 54.714 53.050 -0.185 0.000 0.857 610 N CB -0.743 37.728 38.487 -0.025 0.000 0.997 610 N HN 0.247 nan 8.380 nan 0.000 0.426 611 N N 0.183 118.731 118.700 -0.253 0.000 2.336 611 N HA 0.011 4.752 4.740 0.001 0.000 0.189 611 N C 0.082 175.429 175.510 -0.272 0.000 1.113 611 N CA 0.372 53.280 53.050 -0.238 0.000 0.858 611 N CB 0.408 38.772 38.487 -0.206 0.000 0.970 611 N HN 0.291 nan 8.380 nan 0.000 0.471 612 D N 0.205 120.406 120.400 -0.331 0.000 2.463 612 D HA 0.007 4.647 4.640 0.001 0.000 0.237 612 D C 0.867 176.955 176.300 -0.353 0.000 1.013 612 D CA 0.089 53.911 54.000 -0.297 0.000 0.910 612 D CB 0.469 41.142 40.800 -0.212 0.000 1.080 612 D HN 0.338 nan 8.370 nan 0.000 0.498 613 R N 1.281 121.408 120.500 -0.621 0.000 2.784 613 R HA 0.251 4.592 4.340 0.001 0.000 0.266 613 R C -0.130 175.949 176.300 -0.368 0.000 1.044 613 R CA 0.196 55.908 56.100 -0.646 0.000 1.151 613 R CB 0.713 30.222 30.300 -1.318 0.000 1.037 613 R HN -0.135 nan 8.270 nan 0.000 0.478 614 I N 1.601 122.032 120.570 -0.232 0.000 2.447 614 I HA 0.187 4.357 4.170 0.001 0.000 0.287 614 I C -0.309 175.751 176.117 -0.095 0.000 1.023 614 I CA -0.730 60.490 61.300 -0.134 0.000 1.083 614 I CB 1.638 39.600 38.000 -0.064 0.000 1.245 614 I HN 0.828 nan 8.210 nan 0.000 0.434 615 E N 7.431 127.582 120.200 -0.082 0.000 2.223 615 E HA 0.302 4.652 4.350 0.001 0.000 0.282 615 E C -0.766 175.828 176.600 -0.010 0.000 1.046 615 E CA -0.151 56.227 56.400 -0.036 0.000 0.857 615 E CB 0.783 30.463 29.700 -0.034 0.000 1.055 615 E HN 0.657 nan 8.360 nan 0.000 0.409 616 Q N 3.233 123.038 119.800 0.009 0.000 2.647 616 Q HA 0.221 4.562 4.340 0.001 0.000 0.283 616 Q C -1.292 174.721 176.000 0.021 0.000 0.943 616 Q CA -1.054 54.757 55.803 0.012 0.000 0.813 616 Q CB 0.978 29.722 28.738 0.011 0.000 1.477 616 Q HN 0.428 nan 8.270 nan 0.000 0.393 621 S N 0.097 115.791 115.700 -0.011 0.000 2.508 621 S HA 0.429 4.900 4.470 0.001 0.000 0.284 621 S C 0.618 175.204 174.600 -0.022 0.000 1.192 621 S CA -0.440 57.752 58.200 -0.015 0.000 1.070 621 S CB 1.602 64.798 63.200 -0.007 0.000 1.004 621 S HN 0.923 nan 8.310 nan 0.000 0.493 622 c N 4.679 123.260 118.600 -0.033 0.000 2.667 622 c HA 0.266 4.836 4.570 0.001 0.000 0.392 622 c C 1.154 175.224 174.090 -0.033 0.000 1.332 622 c CA -0.292 56.009 56.329 -0.047 0.000 1.594 622 c CB -1.616 40.848 42.510 -0.078 0.000 2.345 622 c HN 0.892 nan 8.230 nan 0.000 0.594 623 N N 3.137 121.821 118.700 -0.027 0.000 2.235 623 N HA 0.133 4.874 4.740 0.001 0.000 0.231 623 N C -0.402 175.100 175.510 -0.014 0.000 1.177 623 N CA -0.159 52.882 53.050 -0.014 0.000 0.874 623 N CB -0.075 38.407 38.487 -0.008 0.000 1.097 623 N HN 0.753 nan 8.380 nan 0.000 0.518 624 D N 1.151 121.535 120.400 -0.027 0.000 2.487 624 D HA 0.222 4.863 4.640 0.001 0.000 0.243 624 D C 0.655 176.959 176.300 0.007 0.000 1.154 624 D CA 0.977 54.962 54.000 -0.025 0.000 0.876 624 D CB 0.539 41.307 40.800 -0.054 0.000 1.161 624 D HN 0.350 nan 8.370 nan 0.000 0.478 625 A N 2.483 125.314 122.820 0.018 0.000 2.996 625 A HA -0.174 4.146 4.320 0.001 0.000 0.257 625 A C 1.737 179.377 177.584 0.094 0.000 1.394 625 A CA 1.081 53.150 52.037 0.053 0.000 0.820 625 A CB -1.868 17.187 19.000 0.092 0.000 1.054 625 A HN 0.692 nan 8.150 nan 0.000 0.619 626 A N -0.560 122.290 122.820 0.049 0.000 2.015 626 A HA 0.147 4.468 4.320 0.001 0.000 0.219 626 A C 2.336 179.966 177.584 0.076 0.000 1.163 626 A CA 2.178 54.234 52.037 0.032 0.000 0.646 626 A CB -0.656 18.299 19.000 -0.076 0.000 0.806 626 A HN 1.333 nan 8.150 nan 0.000 0.448 627 S N -1.022 114.732 115.700 0.091 0.000 2.359 627 S HA -0.166 4.304 4.470 0.001 0.000 0.223 627 S C 1.573 176.529 174.600 0.592 0.000 1.039 627 S CA 1.761 60.101 58.200 0.233 0.000 1.042 627 S CB -0.441 62.779 63.200 0.033 0.000 0.915 627 S HN 0.715 nan 8.310 nan 0.000 0.439 628 Y N -1.003 119.510 120.300 0.355 0.000 2.458 628 Y HA 0.308 4.858 4.550 0.001 0.000 0.254 628 Y C 1.853 178.103 175.900 0.584 0.000 1.120 628 Y CA -1.279 57.060 58.100 0.399 0.000 1.282 628 Y CB -0.611 37.997 38.460 0.248 0.000 1.109 628 Y HN 0.304 nan 8.280 nan 0.000 0.526 629 c N -1.288 117.716 118.600 0.674 0.000 3.392 629 c HA 0.610 5.180 4.570 0.001 0.000 0.301 629 c C 1.693 176.117 174.090 0.555 0.000 1.354 629 c CA 0.063 56.780 56.329 0.647 0.000 1.732 629 c CB -0.565 42.243 42.510 0.497 0.000 2.269 629 c HN 0.743 nan 8.230 nan 0.000 0.673 630 G N 1.812 110.908 108.800 0.494 0.000 2.578 630 G HA2 -0.266 3.695 3.960 0.001 0.000 0.275 630 G HA3 -0.266 3.695 3.960 0.001 0.000 0.275 630 G C -0.485 174.523 174.900 0.180 0.000 1.271 630 G CA 0.053 45.354 45.100 0.335 0.000 0.941 630 G HN 0.420 nan 8.290 nan 0.000 0.564 631 I N 0.422 121.078 120.570 0.142 0.000 2.418 631 I HA 0.342 4.513 4.170 0.001 0.000 0.287 631 I C 0.873 177.030 176.117 0.065 0.000 1.008 631 I CA -0.732 60.611 61.300 0.072 0.000 1.104 631 I CB 1.821 39.836 38.000 0.025 0.000 1.264 631 I HN 0.512 nan 8.210 nan 0.000 0.438 632 R N 5.659 126.170 120.500 0.020 0.000 2.486 632 R HA -0.051 4.289 4.340 0.001 0.000 0.303 632 R C -0.215 176.068 176.300 -0.028 0.000 0.958 632 R CA 0.787 56.863 56.100 -0.040 0.000 1.077 632 R CB 0.044 30.307 30.300 -0.061 0.000 0.921 632 R HN 0.642 nan 8.270 nan 0.000 0.406 633 D N 1.558 121.940 120.400 -0.030 0.000 3.012 633 D HA -0.197 4.443 4.640 0.001 0.000 0.222 633 D C -0.490 175.823 176.300 0.021 0.000 1.167 633 D CA 1.177 55.173 54.000 -0.006 0.000 0.854 633 D CB -0.335 40.449 40.800 -0.026 0.000 1.107 633 D HN 0.479 nan 8.370 nan 0.000 0.421 634 R N -0.064 120.461 120.500 0.042 0.000 2.905 634 R HA 0.472 4.813 4.340 0.001 0.000 0.260 634 R C 0.598 176.949 176.300 0.085 0.000 1.086 634 R CA -0.770 55.361 56.100 0.050 0.000 0.978 634 R CB 1.077 31.399 30.300 0.037 0.000 1.215 634 R HN -0.095 nan 8.270 nan 0.000 0.480 635 K N 0.982 121.428 120.400 0.077 0.000 2.382 635 K HA 0.043 4.363 4.320 0.001 0.000 0.275 635 K C -0.217 176.468 176.600 0.142 0.000 1.009 635 K CA -0.012 56.339 56.287 0.108 0.000 0.970 635 K CB 0.283 32.826 32.500 0.072 0.000 0.934 635 K HN 0.434 nan 8.250 nan 0.000 0.479 636 Y N 5.072 125.412 120.300 0.068 0.000 2.729 636 Y HA -0.025 4.525 4.550 0.001 0.000 0.331 636 Y C -1.514 174.411 175.900 0.042 0.000 1.208 636 Y CA -1.345 56.800 58.100 0.075 0.000 1.521 636 Y CB 0.569 39.075 38.460 0.077 0.000 1.233 636 Y HN 0.454 nan 8.280 nan 0.000 0.539 637 P HA 0.052 nan 4.420 nan 0.000 0.254 637 P C -1.121 176.121 177.300 -0.098 0.000 1.631 637 P CA 0.522 63.547 63.100 -0.124 0.000 0.861 637 P CB 0.068 31.688 31.700 -0.133 0.000 1.663 638 D N -0.136 120.260 120.400 -0.007 0.000 2.738 638 D HA 0.106 4.747 4.640 0.001 0.000 0.218 638 D C 0.642 176.982 176.300 0.067 0.000 1.345 638 D CA -0.476 53.538 54.000 0.024 0.000 0.943 638 D CB 1.519 42.372 40.800 0.088 0.000 1.514 638 D HN -0.294 nan 8.370 nan 0.000 0.585 639 K N 1.404 121.772 120.400 -0.052 0.000 2.211 639 K HA -0.006 4.314 4.320 0.001 0.000 0.203 639 K C 0.582 177.118 176.600 -0.108 0.000 1.050 639 K CA 0.540 56.783 56.287 -0.074 0.000 0.945 639 K CB 0.287 32.707 32.500 -0.133 0.000 0.732 639 K HN 0.467 nan 8.250 nan 0.000 0.451 640 Q N 0.424 120.119 119.800 -0.175 0.000 2.454 640 Q HA 0.111 4.451 4.340 0.001 0.000 0.247 640 Q C -0.286 175.648 176.000 -0.110 0.000 1.028 640 Q CA 0.075 55.697 55.803 -0.301 0.000 0.910 640 Q CB 0.600 28.960 28.738 -0.631 0.000 1.276 640 Q HN 0.211 nan 8.270 nan 0.000 0.489 641 A N 2.420 125.199 122.820 -0.069 0.000 2.561 641 A HA 0.043 4.364 4.320 0.001 0.000 0.234 641 A C 0.258 177.853 177.584 0.017 0.000 1.055 641 A CA 0.032 52.089 52.037 0.033 0.000 0.756 641 A CB -0.197 18.904 19.000 0.168 0.000 0.986 641 A HN 0.730 nan 8.150 nan 0.000 0.505 642 M N 2.171 121.690 119.600 -0.135 0.000 2.303 642 M HA 0.319 4.799 4.480 0.001 0.000 0.350 642 M C 1.371 177.380 176.300 -0.485 0.000 1.518 642 M CA 1.680 56.707 55.300 -0.454 0.000 1.070 642 M CB -0.096 32.067 32.600 -0.729 0.000 1.910 642 M HN 1.335 nan 8.290 nan 0.000 0.458 643 G N 2.332 110.935 108.800 -0.327 0.000 2.176 643 G HA2 -0.290 3.671 3.960 0.001 0.000 0.232 643 G HA3 -0.290 3.671 3.960 0.001 0.000 0.232 643 G C -0.218 174.881 174.900 0.332 0.000 0.986 643 G CA -0.537 44.710 45.100 0.245 0.000 0.643 643 G HN 0.752 nan 8.290 nan 0.000 0.522 644 Y N 2.727 123.117 120.300 0.149 0.000 2.811 644 Y HA 0.338 4.889 4.550 0.001 0.000 0.334 644 Y C -0.927 174.993 175.900 0.034 0.000 1.247 644 Y CA -0.043 58.098 58.100 0.069 0.000 1.526 644 Y CB 0.991 39.462 38.460 0.017 0.000 1.284 644 Y HN 0.085 nan 8.280 nan 0.000 0.586 645 P HA 0.071 nan 4.420 nan 0.000 0.258 645 P C -0.139 176.827 177.300 -0.557 0.000 1.416 645 P CA 0.459 62.949 63.100 -1.016 0.000 0.927 645 P CB -0.209 30.877 31.700 -1.024 0.000 1.444 646 F N 1.091 120.919 119.950 -0.203 0.000 2.727 646 F HA 0.061 4.588 4.527 0.001 0.000 0.302 646 F C 1.905 177.663 175.800 -0.069 0.000 1.097 646 F CA 0.068 57.916 58.000 -0.253 0.000 1.330 646 F CB -0.281 38.378 39.000 -0.568 0.000 1.084 646 F HN -0.031 nan 8.300 nan 0.000 0.578 647 D N 0.168 120.704 120.400 0.228 0.000 2.234 647 D HA -0.076 4.564 4.640 0.001 0.000 0.205 647 D C 0.749 177.116 176.300 0.111 0.000 0.962 647 D CA 0.507 54.636 54.000 0.215 0.000 0.855 647 D CB 0.009 40.971 40.800 0.270 0.000 0.951 647 D HN 0.218 nan 8.370 nan 0.000 0.500 648 R N 0.611 121.156 120.500 0.075 0.000 2.674 648 R HA 0.417 4.757 4.340 0.001 0.000 0.266 648 R C 0.531 176.873 176.300 0.070 0.000 1.016 648 R CA -0.819 55.238 56.100 -0.072 0.000 1.062 648 R CB 1.555 31.608 30.300 -0.412 0.000 1.142 648 R HN 0.110 nan 8.270 nan 0.000 0.517 649 K N 0.812 121.236 120.400 0.039 0.000 2.209 649 K HA 0.396 4.717 4.320 0.001 0.000 0.238 649 K C -0.323 176.346 176.600 0.116 0.000 1.028 649 K CA -0.644 55.737 56.287 0.157 0.000 0.935 649 K CB 0.920 33.461 32.500 0.069 0.000 1.162 649 K HN 0.297 nan 8.250 nan 0.000 0.485 650 M N 0.655 120.329 119.600 0.124 0.000 2.444 650 M HA 0.252 4.732 4.480 0.001 0.000 0.319 650 M C 0.991 177.301 176.300 0.016 0.000 1.183 650 M CA -0.585 54.714 55.300 -0.000 0.000 1.032 650 M CB 1.812 34.359 32.600 -0.088 0.000 1.569 650 M HN 0.963 nan 8.290 nan 0.000 0.468 651 A N 1.296 124.113 122.820 -0.006 0.000 1.933 651 A HA -0.106 4.215 4.320 0.001 0.000 0.218 651 A C 0.950 178.537 177.584 0.005 0.000 1.175 651 A CA 1.515 53.549 52.037 -0.005 0.000 0.628 651 A CB -0.461 18.532 19.000 -0.012 0.000 0.814 651 A HN 0.807 nan 8.150 nan 0.000 0.444 652 N N 0.529 119.234 118.700 0.009 0.000 2.414 652 N HA 0.114 4.855 4.740 0.001 0.000 0.256 652 N C -0.349 175.181 175.510 0.034 0.000 1.029 652 N CA -0.313 52.747 53.050 0.016 0.000 0.948 652 N CB 0.792 39.286 38.487 0.012 0.000 1.102 652 N HN 0.141 nan 8.380 nan 0.000 0.496 653 D N 2.552 122.969 120.400 0.029 0.000 2.348 653 D HA -0.008 4.633 4.640 0.001 0.000 0.216 653 D C 0.855 177.178 176.300 0.038 0.000 0.970 653 D CA 0.495 54.516 54.000 0.035 0.000 0.889 653 D CB 0.402 41.214 40.800 0.020 0.000 0.912 653 D HN 0.683 nan 8.370 nan 0.000 0.524 654 A N 0.356 123.195 122.820 0.033 0.000 2.238 654 A HA 0.413 4.734 4.320 0.001 0.000 0.210 654 A C 1.231 178.843 177.584 0.046 0.000 1.179 654 A CA 0.141 52.197 52.037 0.032 0.000 0.827 654 A CB 0.107 19.120 19.000 0.021 0.000 0.856 654 A HN 0.137 nan 8.150 nan 0.000 0.488 655 A N 0.759 123.612 122.820 0.056 0.000 2.498 655 A HA 0.480 4.801 4.320 0.001 0.000 0.239 655 A C 0.852 178.508 177.584 0.120 0.000 1.068 655 A CA 0.693 52.771 52.037 0.069 0.000 0.766 655 A CB -0.256 18.773 19.000 0.047 0.000 1.003 655 A HN 0.765 nan 8.150 nan 0.000 0.497 656 T N -0.091 114.535 114.554 0.119 0.000 2.938 656 T HA 0.438 4.789 4.350 0.001 0.000 0.285 656 T C 0.979 175.815 174.700 0.228 0.000 1.028 656 T CA -0.290 61.904 62.100 0.156 0.000 1.005 656 T CB 0.671 69.600 68.868 0.102 0.000 1.157 656 T HN 0.652 nan 8.240 nan 0.000 0.550 657 L N 1.631 123.011 121.223 0.262 0.000 2.042 657 L HA -0.024 4.317 4.340 0.001 0.000 0.210 657 L C 2.806 179.857 176.870 0.302 0.000 1.076 657 L CA 2.721 57.775 54.840 0.356 0.000 0.749 657 L CB -1.265 40.956 42.059 0.269 0.000 0.893 657 L HN 0.973 nan 8.230 nan 0.000 0.432 658 S N -1.336 114.483 115.700 0.199 0.000 2.383 658 S HA -0.225 4.245 4.470 0.001 0.000 0.229 658 S C 1.720 176.398 174.600 0.131 0.000 1.030 658 S CA 1.427 59.720 58.200 0.156 0.000 1.002 658 S CB -0.801 62.461 63.200 0.104 0.000 0.829 658 S HN 0.564 nan 8.310 nan 0.000 0.467 659 D N 0.340 120.811 120.400 0.117 0.000 2.219 659 D HA 0.010 4.650 4.640 0.001 0.000 0.205 659 D C 1.433 177.767 176.300 0.058 0.000 0.970 659 D CA 0.670 54.712 54.000 0.069 0.000 0.851 659 D CB -0.464 40.366 40.800 0.051 0.000 0.943 659 D HN 0.512 nan 8.370 nan 0.000 0.488 660 F N 1.456 121.353 119.950 -0.087 0.000 2.186 660 F HA 0.010 4.537 4.527 0.001 0.000 0.299 660 F C 0.867 176.632 175.800 -0.059 0.000 1.090 660 F CA 0.443 58.334 58.000 -0.182 0.000 1.307 660 F CB -0.090 38.734 39.000 -0.294 0.000 1.019 660 F HN -0.195 nan 8.300 nan 0.000 0.489 661 L N 2.869 124.132 121.223 0.066 0.000 2.490 661 L HA 0.073 4.413 4.340 0.001 0.000 0.274 661 L C 0.265 177.068 176.870 -0.112 0.000 1.201 661 L CA -0.044 54.818 54.840 0.036 0.000 0.869 661 L CB 0.161 42.303 42.059 0.137 0.000 1.123 661 L HN 0.044 nan 8.230 nan 0.000 0.484 662 R N 3.553 123.961 120.500 -0.154 0.000 2.856 662 R HA 0.355 4.696 4.340 0.001 0.000 0.258 662 R C -1.799 174.456 176.300 -0.075 0.000 1.066 662 R CA -2.128 53.890 56.100 -0.137 0.000 1.045 662 R CB 0.083 30.269 30.300 -0.190 0.000 1.178 662 R HN 0.241 nan 8.270 nan 0.000 0.499 663 P HA -0.106 nan 4.420 nan 0.000 0.221 663 P C 0.451 177.725 177.300 -0.044 0.000 1.145 663 P CA 1.113 64.186 63.100 -0.044 0.000 0.795 663 P CB 0.137 31.813 31.700 -0.041 0.000 0.775 664 N N -1.099 117.579 118.700 -0.036 0.000 2.313 664 N HA 0.047 4.787 4.740 0.001 0.000 0.207 664 N C 0.034 175.506 175.510 -0.063 0.000 1.141 664 N CA 0.230 53.268 53.050 -0.021 0.000 0.830 664 N CB -0.407 38.119 38.487 0.065 0.000 1.008 664 N HN 0.190 nan 8.380 nan 0.000 0.481 665 M N 0.087 119.632 119.600 -0.092 0.000 2.591 665 M HA 0.713 5.194 4.480 0.001 0.000 0.306 665 M C -1.044 175.164 176.300 -0.154 0.000 1.190 665 M CA -0.817 54.370 55.300 -0.188 0.000 0.889 665 M CB 2.729 35.275 32.600 -0.090 0.000 1.728 665 M HN 0.071 nan 8.290 nan 0.000 0.458 666 A N 1.205 123.875 122.820 -0.249 0.000 2.572 666 A HA 0.899 5.219 4.320 0.001 0.000 0.295 666 A C -1.248 176.296 177.584 -0.067 0.000 1.072 666 A CA -0.765 51.212 52.037 -0.100 0.000 0.691 666 A CB 1.606 20.567 19.000 -0.065 0.000 1.291 666 A HN 0.852 nan 8.150 nan 0.000 0.404 667 V N -1.101 118.848 119.914 0.058 0.000 2.864 667 V HA 1.024 5.145 4.120 0.001 0.000 0.314 667 V C -0.601 175.551 176.094 0.097 0.000 1.073 667 V CA -0.973 61.406 62.300 0.133 0.000 0.956 667 V CB 1.758 33.707 31.823 0.210 0.000 1.023 667 V HN 1.159 nan 8.190 nan 0.000 0.435 668 R N 1.159 121.722 120.500 0.106 0.000 2.584 668 R HA 0.512 4.853 4.340 0.001 0.000 0.276 668 R C -1.514 174.828 176.300 0.070 0.000 1.046 668 R CA -0.303 55.844 56.100 0.079 0.000 0.906 668 R CB 1.660 32.009 30.300 0.081 0.000 1.215 668 R HN 0.916 nan 8.270 nan 0.000 0.449 669 D N 2.506 122.933 120.400 0.045 0.000 2.383 669 D HA 0.215 4.856 4.640 0.001 0.000 0.252 669 D C -0.338 175.970 176.300 0.015 0.000 1.166 669 D CA 0.349 54.362 54.000 0.022 0.000 0.879 669 D CB 0.616 41.420 40.800 0.007 0.000 1.164 669 D HN 0.392 nan 8.370 nan 0.000 0.462 670 C N 1.082 120.384 119.300 0.002 0.000 2.848 670 C HA 0.662 5.123 4.460 0.001 0.000 0.317 670 C C 0.358 175.333 174.990 -0.025 0.000 1.260 670 C CA -0.643 58.370 59.018 -0.008 0.000 1.656 670 C CB 2.054 29.793 27.740 -0.001 0.000 2.174 670 C HN 0.515 nan 8.230 nan 0.000 0.479 671 S N 0.657 116.343 115.700 -0.022 0.000 2.500 671 S HA 0.739 5.210 4.470 0.001 0.000 0.301 671 S C -1.075 173.532 174.600 0.011 0.000 1.092 671 S CA -0.425 57.771 58.200 -0.008 0.000 1.030 671 S CB 0.394 63.591 63.200 -0.005 0.000 1.031 671 S HN 0.520 nan 8.310 nan 0.000 0.483 672 I N 4.132 124.747 120.570 0.074 0.000 2.328 672 I HA 0.349 4.519 4.170 0.001 0.000 0.287 672 I C 0.082 176.259 176.117 0.100 0.000 1.012 672 I CA -0.370 60.979 61.300 0.082 0.000 1.195 672 I CB 1.409 39.484 38.000 0.124 0.000 1.350 672 I HN 0.530 nan 8.210 nan 0.000 0.464 673 Q N 6.209 126.044 119.800 0.058 0.000 2.368 673 Q HA 0.322 4.663 4.340 0.001 0.000 0.256 673 Q C -1.168 174.870 176.000 0.064 0.000 0.980 673 Q CA -0.771 55.067 55.803 0.058 0.000 0.887 673 Q CB 1.251 29.998 28.738 0.015 0.000 1.221 673 Q HN 0.559 nan 8.270 nan 0.000 0.458 674 F N 2.813 122.712 119.950 -0.084 0.000 2.438 674 F HA 0.326 4.853 4.527 0.001 0.000 0.356 674 F C -0.667 175.048 175.800 -0.143 0.000 1.099 674 F CA -0.136 57.768 58.000 -0.159 0.000 1.185 674 F CB 1.110 39.986 39.000 -0.205 0.000 1.115 674 F HN 0.329 nan 8.300 nan 0.000 0.526 675 S N 4.993 120.194 115.700 -0.832 0.000 2.422 675 S HA 0.085 4.555 4.470 0.001 0.000 0.308 675 S C -0.485 173.316 174.600 -1.333 0.000 1.097 675 S CA -0.596 57.120 58.200 -0.807 0.000 1.099 675 S CB 0.698 63.643 63.200 -0.425 0.000 0.976 675 S HN 0.607 nan 8.310 nan 0.000 0.471 676 D N 3.617 123.402 120.400 -1.025 0.000 2.671 676 D HA 0.122 4.763 4.640 0.001 0.000 0.228 676 D C 0.279 176.466 176.300 -0.188 0.000 1.102 676 D CA 0.108 53.777 54.000 -0.551 0.000 1.044 676 D CB -0.355 40.422 40.800 -0.037 0.000 1.113 676 D HN 0.558 nan 8.370 nan 0.000 0.480 677 T N -2.050 112.363 114.554 -0.234 0.000 2.906 677 T HA 0.675 5.025 4.350 0.001 0.000 0.295 677 T C -0.178 174.539 174.700 0.028 0.000 1.075 677 T CA -0.842 61.215 62.100 -0.071 0.000 1.005 677 T CB 1.957 70.752 68.868 -0.121 0.000 1.136 677 T HN -0.080 nan 8.240 nan 0.000 0.498 678 T N 1.782 116.368 114.554 0.054 0.000 2.840 678 T HA 0.638 4.989 4.350 0.001 0.000 0.287 678 T C 0.192 174.888 174.700 -0.008 0.000 0.991 678 T CA -0.653 61.492 62.100 0.075 0.000 0.964 678 T CB 1.120 70.033 68.868 0.076 0.000 0.954 678 T HN 1.003 nan 8.240 nan 0.000 0.438 679 V N 1.013 120.905 119.914 -0.036 0.000 3.093 679 V HA 0.707 4.827 4.120 0.001 0.000 0.320 679 V C 0.104 176.139 176.094 -0.098 0.000 1.093 679 V CA -0.970 61.291 62.300 -0.065 0.000 1.016 679 V CB 1.643 33.425 31.823 -0.068 0.000 1.096 679 V HN 0.806 nan 8.190 nan 0.000 0.452 680 E N 0.000 120.143 120.200 -0.095 0.000 2.725 680 E HA 0.000 4.351 4.350 0.001 0.000 0.291 680 E CA 0.000 56.331 56.400 -0.115 0.000 0.976 680 E CB 0.000 29.648 29.700 -0.086 0.000 0.812 680 E HN 0.000 nan 8.360 nan 0.000 0.440