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 2x51_1_A DATA FIRST_RESID 4 DATA SEQUENCE GKPVWAPHPT DGFQVGNXXX XXXDSLTIEP LXXXXXXFLA LINQVFPAEE DATA SEQUENCE DSKKDVEDNC SLMYLNEATL LHNIKVRYSK DRIYTYVANI LIAVNPYFDI DATA SEQUENCE PKIYSSETIK SYQGKSLGTM PPHVFAIADK AFRDMKVLKL SQSIIVSGES DATA SEQUENCE GAGKTENTKF VLRYLTESYG TGQDIDDRIV EANPLLEAFG NAKTVRNNNS DATA SEQUENCE SRFGKFVEIH FNEKSSVVGG FVSHYLLEKS RICVQGKEER NYHIFYRLCA DATA SEQUENCE GASEDIRERL HLSSPDNFRY LNRXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXDPLLDD HGDFIRMCTA MKKIGLDDEE KLDLFRVVAG VLHLGNIDFE DATA SEQUENCE EAGSTSXGCN LKNKSTQALE YCAELLGLDQ DDLRVSLTTR VXXXXXXXXX DATA SEQUENCE XXXIKVPLKV EQANNARDAL AKTVYSHLFD HVVNRVNQCF PFETSSYFIG DATA SEQUENCE VLDIAGFEYF EHNSFEQFCI NYCNEKLQQF FNERILKEEQ ELYQKEGLXX DATA SEQUENCE NEVHYVDNQD CIDLIEARLV GILDILDEEN RLPQPSDQHF TSAVHQKHKD DATA SEQUENCE HFRLSIPRKS KLAIHRNIRD DEGFIIRHFA GAVCYETTQF VEKNNDALHM DATA SEQUENCE SLESLICESR DKFIRELFXX XXXXXXXXXX XXXXXSFISV GNKFKTQLNL DATA SEQUENCE LLDKLRSTGA SFIRCIKPNL KMTSHHFEGA QILSQLQCSG MVSVLDLMQG DATA SEQUENCE GFPSRASFHE LYNMYKKYMP DKLARLDPRL FCKALFKALG LNEIDYKFGL DATA SEQUENCE TKVFFRPGKF AEFDQIMKSD PDHLAELVKR VNHWLICSRW KKVQWCSLSV DATA SEQUENCE IKLKNKIKYR AE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.952 3.960 -0.013 0.000 0.244 4 G C 0.000 174.861 174.900 -0.064 0.000 0.946 4 G CA 0.000 45.069 45.100 -0.051 0.000 0.502 5 K N 1.657 122.016 120.400 -0.068 0.000 2.322 5 K HA 0.685 4.997 4.320 -0.013 0.000 0.283 5 K C -2.542 173.982 176.600 -0.127 0.000 1.042 5 K CA -1.371 54.865 56.287 -0.086 0.000 0.958 5 K CB -0.513 31.944 32.500 -0.072 0.000 0.984 5 K HN 0.122 nan 8.250 nan 0.000 0.473 6 P HA 0.119 nan 4.420 nan 0.000 0.266 6 P C -0.189 176.932 177.300 -0.299 0.000 1.215 6 P CA -0.334 62.619 63.100 -0.245 0.000 0.763 6 P CB 0.610 32.131 31.700 -0.297 0.000 0.806 7 V N 0.656 120.407 119.914 -0.273 0.000 3.096 7 V HA 0.617 4.729 4.120 -0.013 0.000 0.319 7 V C -0.825 175.113 176.094 -0.260 0.000 1.103 7 V CA -1.305 60.863 62.300 -0.221 0.000 1.016 7 V CB 1.443 33.209 31.823 -0.096 0.000 1.090 7 V HN 0.364 nan 8.190 nan 0.000 0.449 8 W N 0.654 121.964 121.300 0.017 0.000 2.469 8 W HA 0.813 5.466 4.660 -0.013 0.000 0.320 8 W C 0.155 176.839 176.519 0.275 0.000 1.086 8 W CA 0.033 57.444 57.345 0.111 0.000 1.211 8 W CB 1.838 31.280 29.460 -0.030 0.000 1.298 8 W HN 0.997 nan 8.180 nan 0.000 0.525 9 A N 4.177 127.363 122.820 0.610 0.000 2.469 9 A HA 0.829 5.141 4.320 -0.013 0.000 0.299 9 A C -2.786 175.100 177.584 0.503 0.000 1.098 9 A CA -2.039 50.291 52.037 0.490 0.000 0.737 9 A CB 1.090 20.245 19.000 0.259 0.000 1.312 9 A HN 0.352 nan 8.150 nan 0.000 0.414 10 P HA 0.230 nan 4.420 nan 0.000 0.266 10 P C -0.947 176.441 177.300 0.148 0.000 1.195 10 P CA 0.906 64.034 63.100 0.048 0.000 0.768 10 P CB 0.149 31.868 31.700 0.032 0.000 0.838 11 H N 3.351 122.401 119.070 -0.034 0.000 3.108 11 H HA 0.317 4.865 4.556 -0.013 0.000 0.329 11 H C -2.038 173.288 175.328 -0.003 0.000 0.978 11 H CA -2.040 54.037 56.048 0.049 0.000 1.413 11 H CB 1.348 31.184 29.762 0.124 0.000 1.670 11 H HN 0.192 nan 8.280 nan 0.000 0.512 12 P HA -0.228 nan 4.420 nan 0.000 0.218 12 P C 1.041 178.311 177.300 -0.049 0.000 1.150 12 P CA 2.435 65.443 63.100 -0.154 0.000 0.841 12 P CB 0.294 31.878 31.700 -0.195 0.000 0.784 13 T N -7.867 106.725 114.554 0.063 0.000 2.975 13 T HA 0.147 4.489 4.350 -0.013 0.000 0.257 13 T C 0.936 175.808 174.700 0.287 0.000 1.003 13 T CA 0.005 62.220 62.100 0.192 0.000 0.932 13 T CB -0.086 68.898 68.868 0.193 0.000 1.087 13 T HN -0.145 nan 8.240 nan 0.000 0.512 14 D N 0.416 121.115 120.400 0.497 0.000 2.503 14 D HA 0.339 4.972 4.640 -0.013 0.000 0.218 14 D C 1.731 178.128 176.300 0.161 0.000 1.183 14 D CA 0.691 54.825 54.000 0.224 0.000 0.827 14 D CB 0.723 41.536 40.800 0.021 0.000 1.034 14 D HN 0.511 nan 8.370 nan 0.000 0.510 15 G N 0.949 109.796 108.800 0.079 0.000 3.639 15 G HA2 -0.331 3.621 3.960 -0.013 0.000 0.224 15 G HA3 -0.331 3.621 3.960 -0.013 0.000 0.224 15 G C 0.239 174.854 174.900 -0.475 0.000 1.339 15 G CA 0.624 45.586 45.100 -0.231 0.000 0.933 15 G HN 0.321 nan 8.290 nan 0.000 0.568 16 F N 1.284 121.352 119.950 0.197 0.000 2.603 16 F HA 0.715 5.235 4.527 -0.013 0.000 0.317 16 F C 0.167 176.206 175.800 0.398 0.000 1.066 16 F CA -0.296 57.886 58.000 0.303 0.000 0.941 16 F CB 2.144 41.273 39.000 0.215 0.000 1.291 16 F HN 0.548 nan 8.300 nan 0.000 0.472 17 Q N 0.354 120.567 119.800 0.689 0.000 2.377 17 Q HA 0.707 5.039 4.340 -0.013 0.000 0.279 17 Q C -1.578 174.571 176.000 0.250 0.000 1.049 17 Q CA -1.310 54.749 55.803 0.426 0.000 0.825 17 Q CB 2.480 31.361 28.738 0.239 0.000 1.401 17 Q HN 0.583 nan 8.270 nan 0.000 0.404 18 V N -0.637 119.228 119.914 -0.082 0.000 2.686 18 V HA 0.914 5.026 4.120 -0.013 0.000 0.295 18 V C 0.379 176.358 176.094 -0.192 0.000 1.055 18 V CA 0.841 62.921 62.300 -0.368 0.000 1.050 18 V CB 0.294 31.811 31.823 -0.510 0.000 0.984 18 V HN 1.053 nan 8.190 nan 0.000 0.482 19 G N 3.203 111.883 108.800 -0.202 0.000 2.490 19 G HA2 0.585 4.537 3.960 -0.013 0.000 0.308 19 G HA3 0.585 4.537 3.960 -0.013 0.000 0.308 19 G C -1.624 173.197 174.900 -0.132 0.000 1.286 19 G CA -0.792 44.222 45.100 -0.143 0.000 0.825 19 G HN 0.830 nan 8.290 nan 0.000 0.479 28 S N -0.617 115.083 115.700 0.000 0.000 2.900 28 S HA 0.884 5.346 4.470 -0.013 0.000 0.320 28 S C -0.895 173.708 174.600 0.004 0.000 1.130 28 S CA -0.655 57.547 58.200 0.004 0.000 0.863 28 S CB 1.995 65.202 63.200 0.012 0.000 1.295 28 S HN 0.237 nan 8.310 nan 0.000 0.596 29 L N 0.757 121.988 121.223 0.014 0.000 2.469 29 L HA 0.548 4.880 4.340 -0.013 0.000 0.256 29 L C -1.084 175.806 176.870 0.034 0.000 1.006 29 L CA -0.728 54.120 54.840 0.015 0.000 0.832 29 L CB 2.592 44.653 42.059 0.003 0.000 1.421 29 L HN 0.552 nan 8.230 nan 0.000 0.410 30 T N 2.625 117.198 114.554 0.033 0.000 2.794 30 T HA 0.627 4.970 4.350 -0.013 0.000 0.280 30 T C -0.452 174.268 174.700 0.033 0.000 0.987 30 T CA -0.414 61.719 62.100 0.054 0.000 0.993 30 T CB 1.441 70.341 68.868 0.054 0.000 0.939 30 T HN 0.141 nan 8.240 nan 0.000 0.449 31 I N 2.584 123.179 120.570 0.041 0.000 2.436 31 I HA 0.359 4.522 4.170 -0.013 0.000 0.289 31 I C 0.287 176.320 176.117 -0.140 0.000 1.010 31 I CA -0.844 60.441 61.300 -0.025 0.000 1.098 31 I CB 1.740 39.745 38.000 0.009 0.000 1.266 31 I HN 0.739 nan 8.210 nan 0.000 0.434 32 E N 7.944 128.054 120.200 -0.151 0.000 2.109 32 E HA 0.411 4.753 4.350 -0.013 0.000 0.278 32 E C -2.379 174.089 176.600 -0.220 0.000 0.954 32 E CA -1.585 54.681 56.400 -0.223 0.000 0.779 32 E CB 1.768 31.387 29.700 -0.135 0.000 1.093 32 E HN 0.270 nan 8.360 nan 0.000 0.401 33 P HA 0.072 nan 4.420 nan 0.000 0.296 33 P C -0.518 176.699 177.300 -0.137 0.000 1.295 33 P CA -0.435 62.550 63.100 -0.192 0.000 0.754 33 P CB 0.574 32.153 31.700 -0.202 0.000 1.311 42 L N 3.242 124.562 121.223 0.162 0.000 2.678 42 L HA 0.353 4.685 4.340 -0.013 0.000 0.285 42 L C 0.614 177.540 176.870 0.092 0.000 1.233 42 L CA 0.924 55.820 54.840 0.093 0.000 0.920 42 L CB -0.192 41.894 42.059 0.045 0.000 1.176 42 L HN 0.712 nan 8.230 nan 0.000 0.495 43 A N 3.815 126.680 122.820 0.076 0.000 2.486 43 A HA 0.752 5.065 4.320 -0.013 0.000 0.300 43 A C -1.045 176.564 177.584 0.042 0.000 1.048 43 A CA -0.737 51.342 52.037 0.071 0.000 0.696 43 A CB 1.052 20.111 19.000 0.098 0.000 1.278 43 A HN 0.408 nan 8.150 nan 0.000 0.405 44 L N 2.830 124.073 121.223 0.035 0.000 2.410 44 L HA 0.212 4.544 4.340 -0.013 0.000 0.273 44 L C 1.785 178.652 176.870 -0.006 0.000 1.152 44 L CA 0.359 55.208 54.840 0.015 0.000 0.855 44 L CB 0.053 42.123 42.059 0.017 0.000 1.129 44 L HN 0.827 nan 8.230 nan 0.000 0.463 45 I N 2.538 123.096 120.570 -0.021 0.000 2.113 45 I HA -0.412 3.750 4.170 -0.013 0.000 0.242 45 I C 1.757 177.808 176.117 -0.109 0.000 1.057 45 I CA 1.856 63.124 61.300 -0.053 0.000 1.314 45 I CB -0.216 37.758 38.000 -0.044 0.000 1.022 45 I HN 0.873 nan 8.210 nan 0.000 0.408 46 N N 1.041 119.687 118.700 -0.090 0.000 2.575 46 N HA -0.165 4.567 4.740 -0.013 0.000 0.192 46 N C 0.956 176.348 175.510 -0.196 0.000 1.200 46 N CA 0.568 53.536 53.050 -0.137 0.000 0.897 46 N CB -0.056 38.404 38.487 -0.045 0.000 0.990 46 N HN 0.583 nan 8.380 nan 0.000 0.449 47 Q N 0.261 119.978 119.800 -0.139 0.000 2.172 47 Q HA 0.308 4.640 4.340 -0.013 0.000 0.217 47 Q C -0.771 175.215 176.000 -0.024 0.000 0.832 47 Q CA -0.120 55.685 55.803 0.003 0.000 1.010 47 Q CB 1.473 30.298 28.738 0.144 0.000 1.133 47 Q HN 0.084 nan 8.270 nan 0.000 0.489 48 V N 1.323 121.035 119.914 -0.336 0.000 2.448 48 V HA 0.471 4.583 4.120 -0.013 0.000 0.295 48 V C -0.871 174.946 176.094 -0.461 0.000 1.025 48 V CA -0.572 61.619 62.300 -0.181 0.000 0.859 48 V CB 0.875 32.656 31.823 -0.070 0.000 0.988 48 V HN 0.109 nan 8.190 nan 0.000 0.431 49 F N 5.752 125.744 119.950 0.069 0.000 2.532 49 F HA 0.597 5.116 4.527 -0.013 0.000 0.321 49 F C -2.106 173.666 175.800 -0.047 0.000 1.089 49 F CA -2.755 55.238 58.000 -0.011 0.000 0.926 49 F CB 2.067 41.025 39.000 -0.070 0.000 1.168 49 F HN 0.294 nan 8.300 nan 0.000 0.459 50 P HA 0.149 nan 4.420 nan 0.000 0.266 50 P C -0.956 176.274 177.300 -0.117 0.000 1.195 50 P CA 0.056 62.934 63.100 -0.369 0.000 0.768 50 P CB 0.851 31.842 31.700 -1.182 0.000 0.838 51 A N 2.965 125.715 122.820 -0.117 0.000 2.299 51 A HA 0.430 4.742 4.320 -0.013 0.000 0.332 51 A C 0.148 177.811 177.584 0.131 0.000 1.131 51 A CA -0.636 51.439 52.037 0.063 0.000 0.844 51 A CB 0.459 19.124 19.000 -0.559 0.000 1.251 51 A HN 0.435 nan 8.150 nan 0.000 0.486 52 E N 0.796 121.118 120.200 0.203 0.000 2.360 52 E HA 0.069 4.411 4.350 -0.013 0.000 0.269 52 E C 0.669 177.278 176.600 0.016 0.000 1.022 52 E CA 0.144 56.623 56.400 0.131 0.000 0.887 52 E CB 0.780 30.554 29.700 0.124 0.000 0.990 52 E HN 0.710 nan 8.360 nan 0.000 0.426 53 E N 1.324 121.531 120.200 0.011 0.000 2.038 53 E HA -0.190 4.153 4.350 -0.013 0.000 0.195 53 E C 0.289 176.869 176.600 -0.034 0.000 1.000 53 E CA 1.123 57.507 56.400 -0.026 0.000 0.803 53 E CB 0.122 29.810 29.700 -0.021 0.000 0.750 53 E HN 0.305 nan 8.360 nan 0.000 0.448 54 D N -0.071 120.321 120.400 -0.013 0.000 2.393 54 D HA 0.021 4.653 4.640 -0.013 0.000 0.232 54 D C 0.499 176.826 176.300 0.046 0.000 1.192 54 D CA -0.072 53.931 54.000 0.005 0.000 0.882 54 D CB 0.787 41.590 40.800 0.005 0.000 1.038 54 D HN 0.000 nan 8.370 nan 0.000 0.499 55 S N 3.461 119.185 115.700 0.041 0.000 2.522 55 S HA -0.059 4.403 4.470 -0.013 0.000 0.227 55 S C 1.309 176.055 174.600 0.244 0.000 0.986 55 S CA 0.246 58.523 58.200 0.129 0.000 0.929 55 S CB 0.072 63.295 63.200 0.038 0.000 0.769 55 S HN 0.310 nan 8.310 nan 0.000 0.529 56 K N 1.943 122.416 120.400 0.121 0.000 2.356 56 K HA 0.145 4.457 4.320 -0.013 0.000 0.195 56 K C 0.931 177.572 176.600 0.069 0.000 1.037 56 K CA 0.308 56.644 56.287 0.082 0.000 1.014 56 K CB -0.201 32.323 32.500 0.040 0.000 0.815 56 K HN 0.773 nan 8.250 nan 0.000 0.507 57 K N 1.963 122.414 120.400 0.084 0.000 2.132 57 K HA 0.102 4.414 4.320 -0.013 0.000 0.240 57 K C -0.529 176.105 176.600 0.057 0.000 1.036 57 K CA -0.247 56.075 56.287 0.059 0.000 0.888 57 K CB 0.547 33.077 32.500 0.051 0.000 1.071 57 K HN -0.195 nan 8.250 nan 0.000 0.502 58 D N 0.142 120.565 120.400 0.038 0.000 2.931 58 D HA 0.231 4.864 4.640 -0.013 0.000 0.215 58 D C -1.572 174.746 176.300 0.030 0.000 1.297 58 D CA -0.699 53.313 54.000 0.020 0.000 0.892 58 D CB 1.649 42.447 40.800 -0.004 0.000 1.642 58 D HN 0.540 nan 8.370 nan 0.000 0.560 59 V N 0.946 120.881 119.914 0.035 0.000 2.864 59 V HA 0.630 4.743 4.120 -0.013 0.000 0.314 59 V C 0.870 176.992 176.094 0.047 0.000 1.073 59 V CA -0.596 61.734 62.300 0.050 0.000 0.956 59 V CB 1.871 33.734 31.823 0.067 0.000 1.023 59 V HN 0.570 nan 8.190 nan 0.000 0.435 60 E N 0.738 120.976 120.200 0.062 0.000 2.230 60 E HA 0.019 4.361 4.350 -0.013 0.000 0.192 60 E C -0.164 176.505 176.600 0.115 0.000 0.987 60 E CA 0.913 57.347 56.400 0.058 0.000 0.841 60 E CB 0.315 30.060 29.700 0.076 0.000 0.783 60 E HN 0.834 nan 8.360 nan 0.000 0.481 61 D N 0.024 120.514 120.400 0.150 0.000 2.425 61 D HA 0.104 4.736 4.640 -0.013 0.000 0.240 61 D C 0.289 176.664 176.300 0.124 0.000 1.080 61 D CA -0.334 53.776 54.000 0.185 0.000 0.836 61 D CB 0.696 41.602 40.800 0.177 0.000 1.125 61 D HN -0.160 nan 8.370 nan 0.000 0.525 62 N N 2.115 120.884 118.700 0.115 0.000 2.430 62 N HA -0.118 4.614 4.740 -0.013 0.000 0.186 62 N C 1.255 176.821 175.510 0.092 0.000 1.032 62 N CA 0.565 53.667 53.050 0.087 0.000 0.893 62 N CB 0.097 38.626 38.487 0.071 0.000 0.957 62 N HN 0.461 nan 8.380 nan 0.000 0.442 63 C N 0.330 119.691 119.300 0.101 0.000 2.511 63 C HA 0.081 4.533 4.460 -0.013 0.000 0.277 63 C C 2.290 177.346 174.990 0.110 0.000 1.451 63 C CA 0.109 59.188 59.018 0.103 0.000 1.735 63 C CB -1.207 26.589 27.740 0.094 0.000 1.704 63 C HN 0.349 nan 8.230 nan 0.000 0.571 64 S N 0.518 116.285 115.700 0.112 0.000 2.558 64 S HA 0.187 4.649 4.470 -0.013 0.000 0.217 64 S C 0.672 175.365 174.600 0.155 0.000 0.975 64 S CA 0.236 58.524 58.200 0.147 0.000 0.912 64 S CB -0.061 63.212 63.200 0.122 0.000 0.776 64 S HN 0.558 nan 8.310 nan 0.000 0.526 65 L N 0.801 122.080 121.223 0.093 0.000 2.456 65 L HA 0.313 4.645 4.340 -0.013 0.000 0.257 65 L C 1.536 178.362 176.870 -0.074 0.000 1.162 65 L CA -0.326 54.517 54.840 0.004 0.000 0.808 65 L CB 0.253 42.335 42.059 0.038 0.000 1.136 65 L HN 0.142 nan 8.230 nan 0.000 0.466 66 M N -0.138 119.266 119.600 -0.327 0.000 2.287 66 M HA 0.015 4.488 4.480 -0.013 0.000 0.266 66 M C -0.574 175.378 176.300 -0.579 0.000 1.079 66 M CA 1.356 56.302 55.300 -0.590 0.000 1.146 66 M CB 0.171 32.208 32.600 -0.940 0.000 1.374 66 M HN 0.333 nan 8.290 nan 0.000 0.435 67 Y N 0.191 120.494 120.300 0.006 0.000 2.341 67 Y HA 0.500 5.042 4.550 -0.013 0.000 0.338 67 Y C -0.741 175.182 175.900 0.038 0.000 0.965 67 Y CA -1.405 56.722 58.100 0.046 0.000 1.108 67 Y CB 1.049 39.546 38.460 0.061 0.000 1.180 67 Y HN -0.099 nan 8.280 nan 0.000 0.458 68 L N 6.233 127.559 121.223 0.173 0.000 2.297 68 L HA 0.510 4.843 4.340 -0.013 0.000 0.277 68 L C -1.009 175.895 176.870 0.056 0.000 1.040 68 L CA -0.372 54.524 54.840 0.093 0.000 0.867 68 L CB -0.569 41.542 42.059 0.087 0.000 1.244 68 L HN 0.881 nan 8.230 nan 0.000 0.433 69 N N 0.786 119.466 118.700 -0.034 0.000 2.972 69 N HA 0.287 5.019 4.740 -0.013 0.000 0.262 69 N C 0.280 175.565 175.510 -0.375 0.000 1.478 69 N CA -0.307 52.634 53.050 -0.181 0.000 0.841 69 N CB 0.405 38.796 38.487 -0.159 0.000 1.512 69 N HN 0.361 nan 8.380 nan 0.000 0.548 70 E N -0.774 119.075 120.200 -0.585 0.000 2.110 70 E HA -0.185 4.157 4.350 -0.013 0.000 0.193 70 E C 1.417 177.631 176.600 -0.643 0.000 0.988 70 E CA 1.426 57.541 56.400 -0.476 0.000 0.804 70 E CB -0.355 29.142 29.700 -0.339 0.000 0.745 70 E HN 0.566 nan 8.360 nan 0.000 0.458 71 A N 2.113 124.214 122.820 -1.197 0.000 1.841 71 A HA -0.191 4.121 4.320 -0.013 0.000 0.214 71 A C 2.630 179.588 177.584 -1.044 0.000 1.195 71 A CA 2.593 53.707 52.037 -1.539 0.000 0.611 71 A CB -1.385 16.588 19.000 -1.712 0.000 0.835 71 A HN 0.494 nan 8.150 nan 0.000 0.443 72 T N -1.770 112.409 114.554 -0.625 0.000 2.833 72 T HA -0.131 4.211 4.350 -0.013 0.000 0.269 72 T C 1.747 176.351 174.700 -0.161 0.000 1.054 72 T CA 1.494 63.441 62.100 -0.255 0.000 1.135 72 T CB -0.472 68.407 68.868 0.018 0.000 0.869 72 T HN 0.227 nan 8.240 nan 0.000 0.466 73 L N 0.743 121.849 121.223 -0.194 0.000 2.017 73 L HA 0.198 4.530 4.340 -0.013 0.000 0.208 73 L C 2.332 179.145 176.870 -0.094 0.000 1.073 73 L CA 1.556 56.334 54.840 -0.104 0.000 0.745 73 L CB -1.160 40.845 42.059 -0.091 0.000 0.894 73 L HN 0.332 nan 8.230 nan 0.000 0.432 74 L N -0.846 120.288 121.223 -0.149 0.000 2.017 74 L HA -0.240 4.093 4.340 -0.013 0.000 0.208 74 L C 2.603 179.435 176.870 -0.062 0.000 1.073 74 L CA 2.281 57.100 54.840 -0.036 0.000 0.745 74 L CB -0.871 41.185 42.059 -0.004 0.000 0.894 74 L HN 0.590 nan 8.230 nan 0.000 0.432 75 H N -0.831 118.037 119.070 -0.338 0.000 2.352 75 H HA -0.198 4.350 4.556 -0.013 0.000 0.299 75 H C 2.148 177.389 175.328 -0.145 0.000 1.097 75 H CA 2.231 58.108 56.048 -0.284 0.000 1.311 75 H CB -0.095 29.457 29.762 -0.349 0.000 1.377 75 H HN 0.496 nan 8.280 nan 0.000 0.504 76 N N 0.103 118.749 118.700 -0.089 0.000 2.080 76 N HA -0.123 4.610 4.740 -0.013 0.000 0.189 76 N C 2.071 177.488 175.510 -0.156 0.000 1.036 76 N CA 1.879 54.872 53.050 -0.095 0.000 0.846 76 N CB -0.259 38.231 38.487 0.005 0.000 1.015 76 N HN 0.651 nan 8.380 nan 0.000 0.423 77 I N -2.898 117.606 120.570 -0.112 0.000 2.614 77 I HA 0.018 4.180 4.170 -0.013 0.000 0.258 77 I C 2.169 178.157 176.117 -0.215 0.000 1.189 77 I CA 1.119 62.363 61.300 -0.093 0.000 1.462 77 I CB -0.777 37.217 38.000 -0.010 0.000 1.092 77 I HN 0.091 nan 8.210 nan 0.000 0.442 78 K N 2.121 122.235 120.400 -0.476 0.000 1.965 78 K HA -0.055 4.258 4.320 -0.013 0.000 0.214 78 K C 2.121 178.397 176.600 -0.540 0.000 1.046 78 K CA 2.313 57.975 56.287 -1.042 0.000 0.944 78 K CB -1.683 30.057 32.500 -1.266 0.000 0.726 78 K HN 0.273 nan 8.250 nan 0.000 0.441 79 V N 1.559 121.193 119.914 -0.467 0.000 2.252 79 V HA -0.402 3.710 4.120 -0.013 0.000 0.255 79 V C 2.729 178.713 176.094 -0.183 0.000 1.071 79 V CA 2.704 64.825 62.300 -0.299 0.000 1.050 79 V CB -0.670 30.983 31.823 -0.282 0.000 0.654 79 V HN 0.601 nan 8.190 nan 0.000 0.448 80 R N -1.709 118.700 120.500 -0.151 0.000 2.105 80 R HA -0.197 4.135 4.340 -0.013 0.000 0.239 80 R C 2.307 178.578 176.300 -0.048 0.000 1.135 80 R CA 1.860 57.909 56.100 -0.085 0.000 0.967 80 R CB -0.509 29.750 30.300 -0.067 0.000 0.861 80 R HN 0.603 nan 8.270 nan 0.000 0.442 81 Y N 1.576 121.740 120.300 -0.228 0.000 2.128 81 Y HA -0.228 4.314 4.550 -0.013 0.000 0.284 81 Y C 2.357 178.147 175.900 -0.184 0.000 1.154 81 Y CA 1.328 59.304 58.100 -0.207 0.000 1.149 81 Y CB -0.462 37.878 38.460 -0.201 0.000 0.976 81 Y HN -0.062 nan 8.280 nan 0.000 0.505 82 S N 0.183 115.764 115.700 -0.198 0.000 2.374 82 S HA -0.215 4.247 4.470 -0.013 0.000 0.227 82 S C 1.547 176.084 174.600 -0.106 0.000 1.037 82 S CA 1.786 59.883 58.200 -0.173 0.000 1.024 82 S CB -0.333 62.806 63.200 -0.102 0.000 0.861 82 S HN 0.481 nan 8.310 nan 0.000 0.456 83 K N 1.031 121.378 120.400 -0.088 0.000 2.522 83 K HA 0.074 4.386 4.320 -0.013 0.000 0.194 83 K C -0.557 176.014 176.600 -0.049 0.000 1.026 83 K CA 0.304 56.563 56.287 -0.046 0.000 1.119 83 K CB -0.074 32.403 32.500 -0.038 0.000 0.856 83 K HN 0.068 nan 8.250 nan 0.000 0.513 84 D N 1.327 121.660 120.400 -0.112 0.000 2.837 84 D HA -0.174 4.458 4.640 -0.013 0.000 0.230 84 D C -0.692 175.541 176.300 -0.112 0.000 1.152 84 D CA 0.973 54.899 54.000 -0.123 0.000 0.736 84 D CB -0.988 39.823 40.800 0.019 0.000 1.084 84 D HN 0.323 nan 8.370 nan 0.000 0.429 85 R N 0.587 121.033 120.500 -0.090 0.000 2.287 85 R HA 0.369 4.702 4.340 -0.013 0.000 0.327 85 R C 1.867 178.103 176.300 -0.107 0.000 1.109 85 R CA -0.280 55.766 56.100 -0.091 0.000 1.013 85 R CB 0.250 30.515 30.300 -0.058 0.000 1.126 85 R HN 0.350 nan 8.270 nan 0.000 0.503 86 I N -1.791 118.637 120.570 -0.237 0.000 3.030 86 I HA 0.106 4.268 4.170 -0.013 0.000 0.270 86 I C -0.304 175.563 176.117 -0.417 0.000 1.211 86 I CA 0.311 61.413 61.300 -0.331 0.000 1.479 86 I CB 0.244 37.925 38.000 -0.532 0.000 1.105 86 I HN 0.186 nan 8.210 nan 0.000 0.447 87 Y N 2.343 122.523 120.300 -0.201 0.000 2.342 87 Y HA 0.573 5.115 4.550 -0.013 0.000 0.338 87 Y C -0.004 175.730 175.900 -0.276 0.000 0.965 87 Y CA -0.991 56.953 58.100 -0.260 0.000 1.159 87 Y CB 1.261 39.500 38.460 -0.368 0.000 1.157 87 Y HN -0.068 nan 8.280 nan 0.000 0.486 88 T N 3.032 117.536 114.554 -0.083 0.000 2.893 88 T HA 0.467 4.809 4.350 -0.013 0.000 0.291 88 T C -1.035 173.605 174.700 -0.100 0.000 1.028 88 T CA -0.827 61.200 62.100 -0.122 0.000 0.995 88 T CB 0.980 69.826 68.868 -0.036 0.000 1.051 88 T HN 0.169 nan 8.240 nan 0.000 0.470 89 Y N 0.656 120.996 120.300 0.067 0.000 2.354 89 Y HA 0.582 5.125 4.550 -0.013 0.000 0.322 89 Y C 0.199 176.135 175.900 0.061 0.000 1.253 89 Y CA -1.339 56.800 58.100 0.065 0.000 1.272 89 Y CB 0.988 39.484 38.460 0.060 0.000 1.255 89 Y HN 0.266 nan 8.280 nan 0.000 0.500 90 V N 2.319 122.395 119.914 0.271 0.000 2.398 90 V HA 0.583 4.696 4.120 -0.013 0.000 0.282 90 V C 0.399 176.568 176.094 0.125 0.000 1.014 90 V CA -0.556 61.841 62.300 0.162 0.000 0.838 90 V CB 0.150 32.044 31.823 0.119 0.000 1.018 90 V HN 1.112 nan 8.190 nan 0.000 0.432 91 A N 5.508 128.382 122.820 0.090 0.000 5.391 91 A HA -0.292 4.021 4.320 -0.013 0.000 0.315 91 A C 1.368 178.913 177.584 -0.066 0.000 1.874 91 A CA 1.943 53.994 52.037 0.022 0.000 0.714 91 A CB -1.337 17.678 19.000 0.024 0.000 1.335 91 A HN 0.761 nan 8.150 nan 0.000 0.382 92 N N 0.443 119.108 118.700 -0.059 0.000 2.398 92 N HA 0.264 4.996 4.740 -0.013 0.000 0.188 92 N C 0.289 175.823 175.510 0.040 0.000 1.122 92 N CA 0.759 53.739 53.050 -0.117 0.000 0.866 92 N CB -0.358 38.088 38.487 -0.068 0.000 0.970 92 N HN 0.613 nan 8.380 nan 0.000 0.462 93 I N 1.288 121.949 120.570 0.152 0.000 2.496 93 I HA 0.043 4.205 4.170 -0.013 0.000 0.285 93 I C 0.038 176.348 176.117 0.321 0.000 1.080 93 I CA -0.604 60.852 61.300 0.258 0.000 1.404 93 I CB 0.752 38.913 38.000 0.267 0.000 1.403 93 I HN -0.122 nan 8.210 nan 0.000 0.539 94 L N 8.284 129.686 121.223 0.297 0.000 2.275 94 L HA 0.461 4.793 4.340 -0.013 0.000 0.288 94 L C -0.479 176.496 176.870 0.174 0.000 1.046 94 L CA -0.145 54.856 54.840 0.268 0.000 0.805 94 L CB 0.643 42.815 42.059 0.189 0.000 1.193 94 L HN 0.316 nan 8.230 nan 0.000 0.426 95 I N 5.242 125.892 120.570 0.133 0.000 2.331 95 I HA 0.502 4.665 4.170 -0.013 0.000 0.292 95 I C 0.175 176.340 176.117 0.080 0.000 0.998 95 I CA -0.517 60.835 61.300 0.087 0.000 1.267 95 I CB 0.954 38.986 38.000 0.054 0.000 1.386 95 I HN 0.745 nan 8.210 nan 0.000 0.476 96 A N 7.287 130.140 122.820 0.055 0.000 2.409 96 A HA 0.638 4.950 4.320 -0.013 0.000 0.300 96 A C -0.609 176.895 177.584 -0.134 0.000 1.273 96 A CA -0.499 51.540 52.037 0.003 0.000 0.774 96 A CB 0.747 19.858 19.000 0.184 0.000 1.144 96 A HN 0.395 nan 8.150 nan 0.000 0.472 97 V N 2.902 122.670 119.914 -0.242 0.000 2.432 97 V HA 0.200 4.312 4.120 -0.013 0.000 0.275 97 V C 0.591 176.480 176.094 -0.342 0.000 1.043 97 V CA -1.004 61.101 62.300 -0.324 0.000 0.925 97 V CB 1.172 32.719 31.823 -0.460 0.000 0.985 97 V HN 0.860 nan 8.190 nan 0.000 0.466 98 N N 6.680 125.157 118.700 -0.371 0.000 2.434 98 N HA 0.111 4.843 4.740 -0.013 0.000 0.268 98 N C -1.623 173.651 175.510 -0.395 0.000 1.256 98 N CA -1.463 51.337 53.050 -0.417 0.000 0.914 98 N CB 1.760 39.892 38.487 -0.592 0.000 1.088 98 N HN 0.329 nan 8.380 nan 0.000 0.478 99 P HA -0.013 nan 4.420 nan 0.000 0.220 99 P C -0.351 176.941 177.300 -0.015 0.000 1.152 99 P CA 0.722 63.711 63.100 -0.184 0.000 0.812 99 P CB 0.086 31.461 31.700 -0.541 0.000 0.792 100 Y N -2.829 117.482 120.300 0.018 0.000 4.272 100 Y HA -0.183 4.359 4.550 -0.013 0.000 0.232 100 Y C 0.232 176.282 175.900 0.251 0.000 1.149 100 Y CA 0.285 58.462 58.100 0.128 0.000 1.961 100 Y CB -2.794 35.777 38.460 0.185 0.000 1.611 100 Y HN 0.105 nan 8.280 nan 0.000 0.682 101 F N -3.013 117.076 119.950 0.232 0.000 2.770 101 F HA 0.624 5.143 4.527 -0.013 0.000 0.313 101 F C -0.932 174.960 175.800 0.153 0.000 1.154 101 F CA -1.867 56.236 58.000 0.172 0.000 0.923 101 F CB 0.812 39.906 39.000 0.156 0.000 1.301 101 F HN -0.279 nan 8.300 nan 0.000 0.449 102 D N 3.225 123.846 120.400 0.368 0.000 2.435 102 D HA 0.288 4.920 4.640 -0.013 0.000 0.230 102 D C 0.349 176.817 176.300 0.280 0.000 1.215 102 D CA 0.310 54.453 54.000 0.239 0.000 0.947 102 D CB 0.727 41.675 40.800 0.247 0.000 1.048 102 D HN 0.495 nan 8.370 nan 0.000 0.512 103 I N 4.662 125.231 120.570 -0.001 0.000 2.664 103 I HA -0.036 4.126 4.170 -0.013 0.000 0.284 103 I C -1.612 174.583 176.117 0.130 0.000 1.154 103 I CA -1.161 60.187 61.300 0.080 0.000 1.402 103 I CB 0.048 37.964 38.000 -0.141 0.000 1.395 103 I HN 0.012 nan 8.210 nan 0.000 0.545 104 P HA 0.000 nan 4.420 nan 0.000 0.263 104 P C -0.128 177.221 177.300 0.083 0.000 1.195 104 P CA 0.016 63.195 63.100 0.132 0.000 0.762 104 P CB 0.600 32.373 31.700 0.121 0.000 0.799 105 K N 1.032 121.490 120.400 0.096 0.000 3.547 105 K HA -0.197 4.115 4.320 -0.013 0.000 0.309 105 K C 1.372 177.998 176.600 0.043 0.000 1.324 105 K CA 1.201 57.536 56.287 0.080 0.000 0.988 105 K CB -1.731 30.808 32.500 0.065 0.000 1.261 105 K HN 0.580 nan 8.250 nan 0.000 0.444 106 I N -2.839 117.696 120.570 -0.059 0.000 2.546 106 I HA -0.153 4.009 4.170 -0.013 0.000 0.255 106 I C 1.202 177.146 176.117 -0.290 0.000 1.163 106 I CA 1.127 62.304 61.300 -0.206 0.000 1.457 106 I CB -0.228 37.519 38.000 -0.422 0.000 1.092 106 I HN 0.067 nan 8.210 nan 0.000 0.434 107 Y N 1.874 122.237 120.300 0.104 0.000 2.625 107 Y HA 0.344 4.886 4.550 -0.013 0.000 0.285 107 Y C 1.536 177.573 175.900 0.229 0.000 1.168 107 Y CA -0.610 57.598 58.100 0.180 0.000 1.250 107 Y CB -0.505 37.896 38.460 -0.098 0.000 1.130 107 Y HN 0.128 nan 8.280 nan 0.000 0.526 108 S N -0.273 115.571 115.700 0.240 0.000 2.563 108 S HA -0.029 4.434 4.470 -0.013 0.000 0.284 108 S C 1.477 176.150 174.600 0.120 0.000 1.331 108 S CA 0.133 58.430 58.200 0.161 0.000 1.047 108 S CB 0.984 64.247 63.200 0.106 0.000 0.859 108 S HN 0.410 nan 8.310 nan 0.000 0.514 109 S N 3.048 118.786 115.700 0.064 0.000 2.399 109 S HA -0.109 4.353 4.470 -0.013 0.000 0.231 109 S C 1.674 176.255 174.600 -0.032 0.000 1.022 109 S CA 1.543 59.737 58.200 -0.009 0.000 0.983 109 S CB -0.456 62.733 63.200 -0.017 0.000 0.803 109 S HN 0.853 nan 8.310 nan 0.000 0.480 110 E N 1.068 121.269 120.200 0.002 0.000 2.031 110 E HA -0.123 4.220 4.350 -0.013 0.000 0.193 110 E C 2.170 178.774 176.600 0.007 0.000 0.994 110 E CA 1.623 58.020 56.400 -0.004 0.000 0.800 110 E CB -0.559 29.147 29.700 0.011 0.000 0.752 110 E HN 0.413 nan 8.360 nan 0.000 0.447 111 T N 1.847 116.436 114.554 0.058 0.000 2.737 111 T HA -0.168 4.175 4.350 -0.013 0.000 0.269 111 T C 1.951 176.735 174.700 0.141 0.000 1.040 111 T CA 1.004 63.184 62.100 0.133 0.000 1.142 111 T CB -0.252 68.746 68.868 0.216 0.000 0.861 111 T HN 0.140 nan 8.240 nan 0.000 0.456 112 I N 0.412 120.957 120.570 -0.042 0.000 2.361 112 I HA -0.157 4.006 4.170 -0.013 0.000 0.251 112 I C 2.744 178.787 176.117 -0.123 0.000 1.133 112 I CA 1.188 62.345 61.300 -0.239 0.000 1.413 112 I CB -0.310 37.434 38.000 -0.426 0.000 1.073 112 I HN 0.156 nan 8.210 nan 0.000 0.424 113 K N 0.770 121.108 120.400 -0.103 0.000 2.167 113 K HA -0.083 4.229 4.320 -0.013 0.000 0.203 113 K C 2.268 178.844 176.600 -0.041 0.000 1.052 113 K CA 1.497 57.723 56.287 -0.101 0.000 0.956 113 K CB 0.052 32.493 32.500 -0.098 0.000 0.735 113 K HN 0.351 nan 8.250 nan 0.000 0.451 114 S N -0.536 115.148 115.700 -0.028 0.000 2.447 114 S HA -0.124 4.338 4.470 -0.013 0.000 0.233 114 S C 1.651 176.150 174.600 -0.168 0.000 1.006 114 S CA 0.702 58.843 58.200 -0.099 0.000 0.957 114 S CB -0.386 62.729 63.200 -0.142 0.000 0.773 114 S HN 0.273 nan 8.310 nan 0.000 0.507 115 Y N 1.882 122.202 120.300 0.034 0.000 2.500 115 Y HA 0.308 4.850 4.550 -0.013 0.000 0.270 115 Y C 1.177 177.160 175.900 0.137 0.000 1.134 115 Y CA -0.338 57.809 58.100 0.078 0.000 1.293 115 Y CB -0.107 38.394 38.460 0.069 0.000 1.063 115 Y HN 0.336 nan 8.280 nan 0.000 0.534 116 Q N 0.194 120.117 119.800 0.204 0.000 2.274 116 Q HA 0.184 4.516 4.340 -0.013 0.000 0.280 116 Q C 1.254 177.359 176.000 0.175 0.000 1.047 116 Q CA 0.809 56.718 55.803 0.176 0.000 0.907 116 Q CB 0.499 29.223 28.738 -0.023 0.000 1.171 116 Q HN 0.606 nan 8.270 nan 0.000 0.381 117 G N 2.501 111.453 108.800 0.253 0.000 2.180 117 G HA2 -0.275 3.677 3.960 -0.013 0.000 0.263 117 G HA3 -0.275 3.677 3.960 -0.013 0.000 0.263 117 G C -0.087 174.891 174.900 0.130 0.000 0.989 117 G CA 0.095 45.312 45.100 0.195 0.000 0.692 117 G HN 0.405 nan 8.290 nan 0.000 0.526 118 K N 1.278 121.757 120.400 0.132 0.000 2.312 118 K HA 0.431 4.743 4.320 -0.013 0.000 0.287 118 K C 0.783 177.440 176.600 0.095 0.000 1.062 118 K CA -0.173 56.165 56.287 0.085 0.000 0.934 118 K CB 1.256 33.783 32.500 0.045 0.000 1.027 118 K HN 0.171 nan 8.250 nan 0.000 0.478 119 S N 2.016 117.752 115.700 0.059 0.000 2.559 119 S HA -0.056 4.407 4.470 -0.013 0.000 0.282 119 S C 0.319 174.948 174.600 0.048 0.000 1.336 119 S CA -0.502 57.724 58.200 0.043 0.000 1.037 119 S CB 0.257 63.468 63.200 0.019 0.000 0.853 119 S HN 0.336 nan 8.310 nan 0.000 0.523 120 L N 3.035 124.267 121.223 0.015 0.000 2.513 120 L HA 0.364 4.696 4.340 -0.013 0.000 0.272 120 L C 1.318 178.183 176.870 -0.009 0.000 1.187 120 L CA 1.609 56.437 54.840 -0.019 0.000 0.895 120 L CB -0.456 41.514 42.059 -0.149 0.000 1.147 120 L HN 0.934 nan 8.230 nan 0.000 0.483 121 G N 1.897 110.753 108.800 0.092 0.000 2.137 121 G HA2 -0.316 3.637 3.960 -0.013 0.000 0.237 121 G HA3 -0.316 3.637 3.960 -0.013 0.000 0.237 121 G C 0.659 175.608 174.900 0.082 0.000 1.002 121 G CA 0.723 45.898 45.100 0.124 0.000 0.702 121 G HN 0.972 nan 8.290 nan 0.000 0.515 122 T N -3.602 110.994 114.554 0.070 0.000 2.990 122 T HA 0.611 4.953 4.350 -0.013 0.000 0.250 122 T C 1.088 175.794 174.700 0.009 0.000 1.041 122 T CA 0.524 62.641 62.100 0.028 0.000 1.010 122 T CB 0.327 69.199 68.868 0.007 0.000 1.003 122 T HN 0.181 nan 8.240 nan 0.000 0.499 123 M N 1.587 121.212 119.600 0.041 0.000 2.762 123 M HA 0.597 5.069 4.480 -0.013 0.000 0.306 123 M C -2.805 173.586 176.300 0.152 0.000 1.223 123 M CA -3.028 52.261 55.300 -0.018 0.000 0.896 123 M CB 0.750 33.167 32.600 -0.305 0.000 1.684 123 M HN -0.185 nan 8.290 nan 0.000 0.491 124 P HA 0.252 nan 4.420 nan 0.000 0.270 124 P C -2.516 174.914 177.300 0.217 0.000 1.223 124 P CA -0.832 62.368 63.100 0.167 0.000 0.785 124 P CB -0.686 31.096 31.700 0.137 0.000 0.923 125 P HA 0.030 nan 4.420 nan 0.000 0.264 125 P C -0.496 176.663 177.300 -0.235 0.000 1.183 125 P CA 1.177 63.983 63.100 -0.490 0.000 0.763 125 P CB 0.182 31.341 31.700 -0.900 0.000 0.807 126 H N 1.377 120.143 119.070 -0.506 0.000 3.121 126 H HA 0.035 4.583 4.556 -0.013 0.000 0.337 126 H C 0.472 175.213 175.328 -0.978 0.000 1.198 126 H CA -0.498 54.956 56.048 -0.989 0.000 1.274 126 H CB 1.722 30.911 29.762 -0.954 0.000 1.954 126 H HN 0.147 nan 8.280 nan 0.000 0.531 127 V N 4.755 123.998 119.914 -1.117 0.000 2.568 127 V HA -0.217 3.896 4.120 -0.013 0.000 0.253 127 V C 1.373 177.303 176.094 -0.274 0.000 1.072 127 V CA 2.044 64.034 62.300 -0.517 0.000 1.084 127 V CB -0.834 30.781 31.823 -0.348 0.000 0.676 127 V HN 0.531 nan 8.190 nan 0.000 0.469 128 F N 1.278 120.985 119.950 -0.405 0.000 2.134 128 F HA -0.003 4.517 4.527 -0.013 0.000 0.299 128 F C 2.566 177.872 175.800 -0.823 0.000 1.097 128 F CA 1.144 58.571 58.000 -0.954 0.000 1.264 128 F CB -1.661 36.569 39.000 -1.284 0.000 1.001 128 F HN 0.296 nan 8.300 nan 0.000 0.479 129 A N 0.585 123.189 122.820 -0.361 0.000 1.855 129 A HA -0.118 4.195 4.320 -0.013 0.000 0.215 129 A C 2.253 179.829 177.584 -0.014 0.000 1.191 129 A CA 1.354 53.370 52.037 -0.035 0.000 0.613 129 A CB -0.906 18.213 19.000 0.198 0.000 0.829 129 A HN 0.167 nan 8.150 nan 0.000 0.442 130 I N 0.393 120.955 120.570 -0.013 0.000 2.113 130 I HA -0.350 3.813 4.170 -0.013 0.000 0.242 130 I C 2.911 179.024 176.117 -0.006 0.000 1.057 130 I CA 1.780 63.081 61.300 0.002 0.000 1.314 130 I CB -1.716 36.289 38.000 0.008 0.000 1.022 130 I HN 0.384 nan 8.210 nan 0.000 0.408 131 A N 0.084 122.873 122.820 -0.050 0.000 1.902 131 A HA -0.274 4.038 4.320 -0.013 0.000 0.217 131 A C 2.182 179.839 177.584 0.122 0.000 1.181 131 A CA 2.144 54.195 52.037 0.023 0.000 0.623 131 A CB -0.946 18.052 19.000 -0.003 0.000 0.818 131 A HN 0.462 nan 8.150 nan 0.000 0.443 132 D N -0.870 119.557 120.400 0.046 0.000 2.117 132 D HA -0.180 4.453 4.640 -0.013 0.000 0.197 132 D C 1.975 178.408 176.300 0.223 0.000 0.987 132 D CA 1.621 55.793 54.000 0.286 0.000 0.829 132 D CB -0.019 40.950 40.800 0.282 0.000 0.961 132 D HN 0.444 nan 8.370 nan 0.000 0.460 133 K N 0.193 120.659 120.400 0.111 0.000 2.063 133 K HA -0.111 4.201 4.320 -0.013 0.000 0.208 133 K C 1.895 178.507 176.600 0.019 0.000 1.048 133 K CA 1.452 57.771 56.287 0.053 0.000 0.928 133 K CB -0.354 32.152 32.500 0.010 0.000 0.713 133 K HN 0.119 nan 8.250 nan 0.000 0.442 134 A N 0.329 123.167 122.820 0.029 0.000 1.908 134 A HA -0.170 4.143 4.320 -0.013 0.000 0.218 134 A C 2.149 179.688 177.584 -0.076 0.000 1.181 134 A CA 1.691 53.715 52.037 -0.022 0.000 0.627 134 A CB -0.965 18.045 19.000 0.016 0.000 0.818 134 A HN 0.555 nan 8.150 nan 0.000 0.445 135 F N 0.431 120.290 119.950 -0.152 0.000 2.102 135 F HA -0.148 4.371 4.527 -0.013 0.000 0.298 135 F C 2.419 178.021 175.800 -0.330 0.000 1.105 135 F CA 1.891 59.700 58.000 -0.319 0.000 1.239 135 F CB -0.233 38.583 39.000 -0.307 0.000 0.991 135 F HN 0.097 nan 8.300 nan 0.000 0.474 136 R N 0.334 120.798 120.500 -0.060 0.000 2.083 136 R HA -0.186 4.146 4.340 -0.013 0.000 0.237 136 R C 1.907 178.046 176.300 -0.269 0.000 1.137 136 R CA 1.873 57.888 56.100 -0.142 0.000 0.951 136 R CB -0.666 29.644 30.300 0.017 0.000 0.851 136 R HN 0.350 nan 8.270 nan 0.000 0.434 137 D N 0.350 120.614 120.400 -0.227 0.000 2.117 137 D HA -0.180 4.452 4.640 -0.013 0.000 0.198 137 D C 1.801 177.880 176.300 -0.368 0.000 0.982 137 D CA 0.970 54.823 54.000 -0.245 0.000 0.828 137 D CB -0.231 40.461 40.800 -0.180 0.000 0.967 137 D HN 0.183 nan 8.370 nan 0.000 0.464 138 M N 0.795 120.116 119.600 -0.465 0.000 2.073 138 M HA -0.278 4.195 4.480 -0.013 0.000 0.258 138 M C 2.127 177.976 176.300 -0.752 0.000 1.070 138 M CA 1.771 56.685 55.300 -0.644 0.000 1.103 138 M CB 0.029 32.195 32.600 -0.724 0.000 1.321 138 M HN -0.161 nan 8.290 nan 0.000 0.405 139 K N -0.553 119.372 120.400 -0.792 0.000 2.002 139 K HA -0.141 4.171 4.320 -0.013 0.000 0.209 139 K C 1.659 177.997 176.600 -0.438 0.000 1.048 139 K CA 1.936 57.816 56.287 -0.679 0.000 0.930 139 K CB -0.162 31.845 32.500 -0.822 0.000 0.714 139 K HN 0.318 nan 8.250 nan 0.000 0.438 140 V N 1.439 121.137 119.914 -0.360 0.000 2.307 140 V HA -0.203 3.909 4.120 -0.013 0.000 0.245 140 V C 2.155 178.105 176.094 -0.240 0.000 1.045 140 V CA 1.546 63.701 62.300 -0.242 0.000 1.024 140 V CB -0.244 31.471 31.823 -0.180 0.000 0.651 140 V HN 0.334 nan 8.190 nan 0.000 0.449 141 L N -0.843 120.211 121.223 -0.282 0.000 2.509 141 L HA 0.121 4.453 4.340 -0.013 0.000 0.222 141 L C 0.683 177.363 176.870 -0.316 0.000 1.123 141 L CA 0.224 54.914 54.840 -0.249 0.000 0.856 141 L CB -0.386 41.541 42.059 -0.221 0.000 0.985 141 L HN 0.329 nan 8.230 nan 0.000 0.456 142 K N 1.231 121.333 120.400 -0.497 0.000 3.653 142 K HA -0.183 4.129 4.320 -0.013 0.000 0.275 142 K C -0.803 175.381 176.600 -0.694 0.000 0.962 142 K CA 0.252 56.080 56.287 -0.766 0.000 0.773 142 K CB -1.242 31.076 32.500 -0.304 0.000 1.463 142 K HN 0.082 nan 8.250 nan 0.000 0.450 143 L N -0.226 120.536 121.223 -0.769 0.000 2.543 143 L HA 0.322 4.655 4.340 -0.013 0.000 0.265 143 L C -0.242 176.355 176.870 -0.454 0.000 0.945 143 L CA -0.179 54.408 54.840 -0.421 0.000 0.869 143 L CB 2.307 44.201 42.059 -0.275 0.000 1.294 143 L HN 0.147 nan 8.230 nan 0.000 0.405 144 S N 3.057 118.531 115.700 -0.377 0.000 2.569 144 S HA 0.431 4.893 4.470 -0.013 0.000 0.274 144 S C -0.466 173.852 174.600 -0.469 0.000 1.353 144 S CA -0.398 57.411 58.200 -0.651 0.000 1.023 144 S CB 0.371 62.804 63.200 -1.279 0.000 0.876 144 S HN 0.591 nan 8.310 nan 0.000 0.540 145 Q N 0.912 120.466 119.800 -0.410 0.000 2.394 145 Q HA 0.554 4.886 4.340 -0.013 0.000 0.273 145 Q C -0.918 175.164 176.000 0.137 0.000 1.089 145 Q CA -0.681 55.049 55.803 -0.121 0.000 0.812 145 Q CB 2.138 30.800 28.738 -0.127 0.000 1.353 145 Q HN 0.777 nan 8.270 nan 0.000 0.438 146 S N 0.555 116.356 115.700 0.168 0.000 2.521 146 S HA 0.751 5.214 4.470 -0.013 0.000 0.295 146 S C -0.401 174.247 174.600 0.080 0.000 1.098 146 S CA -0.728 57.659 58.200 0.311 0.000 0.999 146 S CB 0.900 64.315 63.200 0.359 0.000 1.034 146 S HN 0.507 nan 8.310 nan 0.000 0.483 147 I N 2.856 123.478 120.570 0.086 0.000 2.390 147 I HA 0.356 4.519 4.170 -0.013 0.000 0.283 147 I C -1.182 174.920 176.117 -0.025 0.000 1.016 147 I CA -0.689 60.587 61.300 -0.040 0.000 1.151 147 I CB 1.134 39.133 38.000 -0.003 0.000 1.293 147 I HN 0.575 nan 8.210 nan 0.000 0.458 148 I N 7.471 127.942 120.570 -0.166 0.000 2.312 148 I HA 0.214 4.376 4.170 -0.013 0.000 0.291 148 I C -0.011 176.102 176.117 -0.006 0.000 1.031 148 I CA -0.240 61.025 61.300 -0.058 0.000 1.293 148 I CB 1.126 39.093 38.000 -0.055 0.000 1.403 148 I HN 0.166 nan 8.210 nan 0.000 0.484 149 V N 5.893 125.822 119.914 0.024 0.000 2.472 149 V HA 0.597 4.709 4.120 -0.013 0.000 0.290 149 V C 0.329 176.439 176.094 0.025 0.000 1.037 149 V CA -0.438 61.878 62.300 0.027 0.000 0.908 149 V CB 1.563 33.403 31.823 0.028 0.000 0.985 149 V HN 0.865 nan 8.190 nan 0.000 0.454 150 S N 2.597 118.311 115.700 0.023 0.000 2.759 150 S HA 1.020 5.482 4.470 -0.013 0.000 0.310 150 S C -0.116 174.504 174.600 0.034 0.000 1.123 150 S CA -0.174 58.045 58.200 0.032 0.000 0.959 150 S CB 2.073 65.292 63.200 0.032 0.000 1.172 150 S HN 2.056 nan 8.310 nan 0.000 0.539 151 G N 0.327 109.153 108.800 0.043 0.000 2.326 151 G HA2 0.287 4.240 3.960 -0.013 0.000 0.478 151 G HA3 0.287 4.240 3.960 -0.013 0.000 0.478 151 G C -0.844 174.072 174.900 0.027 0.000 1.551 151 G CA -0.322 44.795 45.100 0.028 0.000 0.946 151 G HN 1.034 nan 8.290 nan 0.000 0.671 152 E N -0.085 120.125 120.200 0.016 0.000 3.196 152 E HA 0.600 4.942 4.350 -0.013 0.000 0.268 152 E C 0.576 177.184 176.600 0.014 0.000 1.430 152 E CA -0.070 56.336 56.400 0.010 0.000 1.176 152 E CB 0.668 30.361 29.700 -0.011 0.000 1.228 152 E HN 0.758 nan 8.360 nan 0.000 0.730 153 S N -1.140 114.570 115.700 0.017 0.000 2.531 153 S HA 0.390 4.852 4.470 -0.013 0.000 0.279 153 S C 0.775 175.402 174.600 0.045 0.000 1.305 153 S CA 0.445 58.664 58.200 0.031 0.000 1.058 153 S CB -0.334 62.886 63.200 0.034 0.000 0.899 153 S HN 1.019 nan 8.310 nan 0.000 0.493 154 G N 2.994 111.831 108.800 0.063 0.000 2.147 154 G HA2 -0.176 3.777 3.960 -0.013 0.000 0.244 154 G HA3 -0.176 3.777 3.960 -0.013 0.000 0.244 154 G C 0.631 175.585 174.900 0.089 0.000 1.005 154 G CA 0.172 45.342 45.100 0.117 0.000 0.713 154 G HN 1.377 nan 8.290 nan 0.000 0.515 155 A N -0.647 122.185 122.820 0.021 0.000 2.195 155 A HA 0.597 4.910 4.320 -0.013 0.000 0.210 155 A C 2.449 179.996 177.584 -0.062 0.000 1.165 155 A CA 1.796 53.809 52.037 -0.039 0.000 0.806 155 A CB -0.187 18.796 19.000 -0.029 0.000 0.847 155 A HN 2.442 nan 8.150 nan 0.000 0.482 156 G N -0.368 108.418 108.800 -0.024 0.000 2.144 156 G HA2 -0.268 3.684 3.960 -0.013 0.000 0.218 156 G HA3 -0.268 3.684 3.960 -0.013 0.000 0.218 156 G C 0.879 175.763 174.900 -0.026 0.000 0.988 156 G CA 0.768 45.849 45.100 -0.031 0.000 0.659 156 G HN 0.508 nan 8.290 nan 0.000 0.522 157 K N 0.043 120.434 120.400 -0.015 0.000 2.103 157 K HA -0.100 4.212 4.320 -0.013 0.000 0.207 157 K C 2.581 179.159 176.600 -0.036 0.000 1.048 157 K CA 2.218 58.498 56.287 -0.012 0.000 0.930 157 K CB -0.253 32.247 32.500 -0.001 0.000 0.716 157 K HN 0.419 nan 8.250 nan 0.000 0.444 158 T N 0.620 115.147 114.554 -0.045 0.000 2.737 158 T HA -0.097 4.245 4.350 -0.013 0.000 0.265 158 T C 1.483 176.088 174.700 -0.158 0.000 1.038 158 T CA 1.500 63.558 62.100 -0.070 0.000 1.144 158 T CB -0.243 68.599 68.868 -0.043 0.000 0.866 158 T HN 0.290 nan 8.240 nan 0.000 0.434 159 E N 1.396 121.470 120.200 -0.209 0.000 2.051 159 E HA -0.085 4.258 4.350 -0.013 0.000 0.192 159 E C 2.224 178.446 176.600 -0.630 0.000 0.991 159 E CA 0.704 56.824 56.400 -0.466 0.000 0.799 159 E CB -0.372 29.105 29.700 -0.371 0.000 0.748 159 E HN 0.380 nan 8.360 nan 0.000 0.449 160 N N -0.272 118.296 118.700 -0.221 0.000 2.166 160 N HA -0.137 4.595 4.740 -0.013 0.000 0.186 160 N C 1.416 176.916 175.510 -0.017 0.000 1.019 160 N CA 1.601 54.656 53.050 0.010 0.000 0.856 160 N CB 0.060 38.609 38.487 0.104 0.000 0.993 160 N HN 0.161 nan 8.380 nan 0.000 0.426 161 T N 1.354 115.864 114.554 -0.073 0.000 2.746 161 T HA -0.069 4.274 4.350 -0.013 0.000 0.267 161 T C 1.844 176.506 174.700 -0.063 0.000 1.039 161 T CA 0.902 62.978 62.100 -0.041 0.000 1.142 161 T CB -0.012 68.831 68.868 -0.042 0.000 0.866 161 T HN 0.292 nan 8.240 nan 0.000 0.444 162 K N 0.334 120.615 120.400 -0.197 0.000 2.044 162 K HA -0.116 4.197 4.320 -0.013 0.000 0.210 162 K C 2.014 178.585 176.600 -0.049 0.000 1.049 162 K CA 1.503 57.665 56.287 -0.207 0.000 0.927 162 K CB -0.432 31.829 32.500 -0.398 0.000 0.713 162 K HN 0.281 nan 8.250 nan 0.000 0.443 163 F N 1.027 121.012 119.950 0.057 0.000 2.095 163 F HA -0.207 4.312 4.527 -0.012 0.000 0.298 163 F C 2.457 178.448 175.800 0.318 0.000 1.104 163 F CA 0.735 58.858 58.000 0.204 0.000 1.232 163 F CB -1.299 37.770 39.000 0.115 0.000 0.987 163 F HN -0.223 nan 8.300 nan 0.000 0.475 164 V N 0.494 120.633 119.914 0.375 0.000 2.282 164 V HA -0.312 3.800 4.120 -0.013 0.000 0.249 164 V C 2.462 178.725 176.094 0.282 0.000 1.057 164 V CA 1.881 64.360 62.300 0.298 0.000 1.032 164 V CB -0.868 31.055 31.823 0.167 0.000 0.645 164 V HN 0.312 nan 8.190 nan 0.000 0.447 165 L N -0.685 120.649 121.223 0.184 0.000 2.044 165 L HA -0.127 4.205 4.340 -0.013 0.000 0.205 165 L C 2.716 179.660 176.870 0.124 0.000 1.075 165 L CA 1.783 56.694 54.840 0.118 0.000 0.747 165 L CB -0.706 41.370 42.059 0.029 0.000 0.903 165 L HN 0.222 nan 8.230 nan 0.000 0.435 166 R N -0.320 120.275 120.500 0.159 0.000 2.096 166 R HA -0.274 4.058 4.340 -0.013 0.000 0.240 166 R C 2.521 178.882 176.300 0.102 0.000 1.139 166 R CA 2.147 58.331 56.100 0.140 0.000 0.952 166 R CB -0.598 29.841 30.300 0.233 0.000 0.854 166 R HN 0.276 nan 8.270 nan 0.000 0.436 167 Y N 1.111 121.455 120.300 0.074 0.000 2.128 167 Y HA -0.225 4.318 4.550 -0.013 0.000 0.284 167 Y C 1.957 177.797 175.900 -0.100 0.000 1.154 167 Y CA 1.946 59.973 58.100 -0.122 0.000 1.149 167 Y CB -0.265 38.157 38.460 -0.063 0.000 0.976 167 Y HN 0.075 nan 8.280 nan 0.000 0.505 168 L N -0.426 120.900 121.223 0.172 0.000 2.141 168 L HA -0.191 4.142 4.340 -0.013 0.000 0.209 168 L C 2.404 179.273 176.870 -0.000 0.000 1.094 168 L CA 1.779 56.728 54.840 0.181 0.000 0.763 168 L CB -0.852 41.415 42.059 0.346 0.000 0.908 168 L HN 0.429 nan 8.230 nan 0.000 0.437 169 T N -3.939 110.580 114.554 -0.059 0.000 2.894 169 T HA -0.075 4.268 4.350 -0.013 0.000 0.258 169 T C 1.622 176.225 174.700 -0.162 0.000 1.043 169 T CA 0.452 62.498 62.100 -0.091 0.000 1.141 169 T CB -0.180 68.648 68.868 -0.066 0.000 0.873 169 T HN 0.279 nan 8.240 nan 0.000 0.449 170 E N 1.298 121.366 120.200 -0.221 0.000 2.204 170 E HA -0.018 4.325 4.350 -0.013 0.000 0.194 170 E C 2.342 178.697 176.600 -0.408 0.000 0.989 170 E CA 1.046 57.287 56.400 -0.265 0.000 0.824 170 E CB -0.040 29.510 29.700 -0.251 0.000 0.756 170 E HN 0.474 nan 8.360 nan 0.000 0.477 171 S N -0.258 115.054 115.700 -0.646 0.000 2.404 171 S HA -0.017 4.445 4.470 -0.013 0.000 0.223 171 S C 0.718 174.717 174.600 -1.001 0.000 1.040 171 S CA 0.689 58.267 58.200 -1.036 0.000 0.957 171 S CB 0.136 62.308 63.200 -1.714 0.000 0.826 171 S HN 0.285 nan 8.310 nan 0.000 0.491 172 Y N 0.589 120.717 120.300 -0.286 0.000 2.717 172 Y HA 0.451 4.993 4.550 -0.013 0.000 0.250 172 Y C 1.087 176.952 175.900 -0.060 0.000 1.149 172 Y CA -0.989 57.004 58.100 -0.178 0.000 1.211 172 Y CB -0.222 38.063 38.460 -0.292 0.000 1.289 172 Y HN 0.181 nan 8.280 nan 0.000 0.552 173 G N 0.372 109.159 108.800 -0.021 0.000 2.543 173 G HA2 0.448 4.400 3.960 -0.013 0.000 0.290 173 G HA3 0.448 4.400 3.960 -0.013 0.000 0.290 173 G C -0.151 174.731 174.900 -0.030 0.000 1.310 173 G CA -0.375 44.701 45.100 -0.041 0.000 1.025 173 G HN 0.116 nan 8.290 nan 0.000 0.502 174 T N -3.355 111.182 114.554 -0.028 0.000 3.401 174 T HA 0.501 4.844 4.350 -0.013 0.000 0.341 174 T C 1.267 175.953 174.700 -0.024 0.000 1.674 174 T CA 0.501 62.591 62.100 -0.017 0.000 1.600 174 T CB 0.473 69.342 68.868 0.002 0.000 0.974 174 T HN 2.041 nan 8.240 nan 0.000 0.672 175 G N 2.473 111.251 108.800 -0.037 0.000 2.746 175 G HA2 -0.400 3.552 3.960 -0.013 0.000 0.236 175 G HA3 -0.400 3.552 3.960 -0.013 0.000 0.236 175 G C 0.488 175.371 174.900 -0.029 0.000 1.172 175 G CA 0.684 45.764 45.100 -0.033 0.000 0.736 175 G HN 1.140 nan 8.290 nan 0.000 0.519 176 Q N 0.973 120.760 119.800 -0.022 0.000 2.726 176 Q HA 0.353 4.685 4.340 -0.013 0.000 0.242 176 Q C -0.663 175.321 176.000 -0.026 0.000 1.130 176 Q CA 1.116 56.909 55.803 -0.016 0.000 1.031 176 Q CB 0.277 29.010 28.738 -0.009 0.000 1.326 176 Q HN 0.344 nan 8.270 nan 0.000 0.572 177 D N -0.063 120.326 120.400 -0.018 0.000 2.517 177 D HA 0.291 4.924 4.640 -0.013 0.000 0.263 177 D C 0.119 176.400 176.300 -0.031 0.000 1.233 177 D CA -0.221 53.764 54.000 -0.026 0.000 0.849 177 D CB 0.260 41.051 40.800 -0.016 0.000 1.261 177 D HN 0.596 nan 8.370 nan 0.000 0.516 178 I N 0.727 121.262 120.570 -0.058 0.000 2.439 178 I HA -0.137 4.026 4.170 -0.013 0.000 0.251 178 I C 2.099 178.122 176.117 -0.158 0.000 1.139 178 I CA 0.649 61.885 61.300 -0.106 0.000 1.438 178 I CB -0.050 37.870 38.000 -0.135 0.000 1.085 178 I HN 0.412 nan 8.210 nan 0.000 0.427 179 D N 1.217 121.552 120.400 -0.109 0.000 2.078 179 D HA -0.260 4.372 4.640 -0.013 0.000 0.193 179 D C 1.470 177.727 176.300 -0.072 0.000 0.990 179 D CA 1.693 55.636 54.000 -0.095 0.000 0.827 179 D CB -0.884 39.890 40.800 -0.043 0.000 0.975 179 D HN 0.198 nan 8.370 nan 0.000 0.451 180 D N -0.010 120.367 120.400 -0.039 0.000 2.228 180 D HA -0.159 4.473 4.640 -0.013 0.000 0.203 180 D C 2.087 178.382 176.300 -0.009 0.000 0.988 180 D CA 0.907 54.897 54.000 -0.017 0.000 0.864 180 D CB -0.204 40.593 40.800 -0.004 0.000 0.928 180 D HN 0.090 nan 8.370 nan 0.000 0.469 181 R N 0.498 120.987 120.500 -0.017 0.000 2.062 181 R HA 0.050 4.382 4.340 -0.013 0.000 0.231 181 R C 2.224 178.548 176.300 0.040 0.000 1.136 181 R CA 0.863 56.984 56.100 0.035 0.000 0.948 181 R CB -0.838 29.500 30.300 0.064 0.000 0.845 181 R HN 0.183 nan 8.270 nan 0.000 0.430 182 I N -0.170 120.316 120.570 -0.140 0.000 2.208 182 I HA -0.283 3.879 4.170 -0.013 0.000 0.245 182 I C 2.042 178.148 176.117 -0.018 0.000 1.097 182 I CA 1.128 62.332 61.300 -0.159 0.000 1.363 182 I CB -0.180 37.616 38.000 -0.340 0.000 1.051 182 I HN -0.012 nan 8.210 nan 0.000 0.413 183 V N 0.421 120.319 119.914 -0.027 0.000 2.490 183 V HA -0.262 3.850 4.120 -0.013 0.000 0.250 183 V C 2.306 178.414 176.094 0.023 0.000 1.061 183 V CA 1.810 64.108 62.300 -0.004 0.000 1.064 183 V CB -0.552 31.262 31.823 -0.015 0.000 0.670 183 V HN 0.448 nan 8.190 nan 0.000 0.461 184 E N 0.092 120.312 120.200 0.034 0.000 2.072 184 E HA -0.118 4.224 4.350 -0.013 0.000 0.190 184 E C 2.303 178.937 176.600 0.057 0.000 0.982 184 E CA 1.184 57.609 56.400 0.042 0.000 0.803 184 E CB -0.265 29.461 29.700 0.043 0.000 0.755 184 E HN 0.587 nan 8.360 nan 0.000 0.453 185 A N 1.961 124.835 122.820 0.091 0.000 2.014 185 A HA -0.176 4.136 4.320 -0.013 0.000 0.218 185 A C 1.935 179.571 177.584 0.086 0.000 1.163 185 A CA 1.079 53.174 52.037 0.096 0.000 0.652 185 A CB -0.601 18.515 19.000 0.193 0.000 0.808 185 A HN 0.239 nan 8.150 nan 0.000 0.449 186 N N 0.584 119.339 118.700 0.092 0.000 2.137 186 N HA -0.142 4.591 4.740 -0.013 0.000 0.190 186 N C -1.095 174.490 175.510 0.124 0.000 1.017 186 N CA 1.794 54.908 53.050 0.106 0.000 0.859 186 N CB -0.910 37.629 38.487 0.086 0.000 1.002 186 N HN 0.223 nan 8.380 nan 0.000 0.428 187 P HA -0.090 nan 4.420 nan 0.000 0.221 187 P C 1.631 179.023 177.300 0.152 0.000 1.145 187 P CA 0.549 63.717 63.100 0.114 0.000 0.795 187 P CB -0.053 31.691 31.700 0.074 0.000 0.775 188 L N -1.155 120.150 121.223 0.137 0.000 2.044 188 L HA -0.064 4.269 4.340 -0.013 0.000 0.205 188 L C 2.151 179.165 176.870 0.241 0.000 1.075 188 L CA 1.610 56.554 54.840 0.173 0.000 0.747 188 L CB -1.338 40.754 42.059 0.055 0.000 0.903 188 L HN -0.123 nan 8.230 nan 0.000 0.435 189 L N -0.596 120.731 121.223 0.173 0.000 1.989 189 L HA -0.251 4.081 4.340 -0.013 0.000 0.211 189 L C 2.502 179.612 176.870 0.401 0.000 1.071 189 L CA 1.711 56.695 54.840 0.240 0.000 0.749 189 L CB -0.781 41.439 42.059 0.268 0.000 0.890 189 L HN 0.335 nan 8.230 nan 0.000 0.431 190 E N 0.060 120.471 120.200 0.351 0.000 2.209 190 E HA -0.241 4.101 4.350 -0.013 0.000 0.196 190 E C 2.213 179.048 176.600 0.392 0.000 0.993 190 E CA 1.146 57.770 56.400 0.374 0.000 0.819 190 E CB -0.135 29.743 29.700 0.297 0.000 0.745 190 E HN 0.546 nan 8.360 nan 0.000 0.477 191 A N 0.599 123.617 122.820 0.330 0.000 1.872 191 A HA -0.100 4.212 4.320 -0.013 0.000 0.214 191 A C 1.673 179.277 177.584 0.034 0.000 1.187 191 A CA 1.011 53.156 52.037 0.180 0.000 0.614 191 A CB -0.431 18.610 19.000 0.068 0.000 0.826 191 A HN 0.162 nan 8.150 nan 0.000 0.442 192 F N -0.884 119.202 119.950 0.226 0.000 2.776 192 F HA 0.275 4.794 4.527 -0.014 0.000 0.300 192 F C 2.086 177.840 175.800 -0.077 0.000 1.116 192 F CA 0.614 58.723 58.000 0.182 0.000 1.375 192 F CB 0.323 39.429 39.000 0.178 0.000 1.109 192 F HN 0.290 nan 8.300 nan 0.000 0.585 193 G N -1.287 107.636 108.800 0.205 0.000 3.274 193 G HA2 0.122 4.074 3.960 -0.013 0.000 0.250 193 G HA3 0.122 4.074 3.960 -0.013 0.000 0.250 193 G C -0.040 175.117 174.900 0.428 0.000 1.024 193 G CA -0.065 45.041 45.100 0.010 0.000 0.840 193 G HN 0.050 nan 8.290 nan 0.000 0.522 194 N N 0.096 119.018 118.700 0.369 0.000 2.292 194 N HA 0.816 5.548 4.740 -0.013 0.000 0.303 194 N C -0.507 174.828 175.510 -0.292 0.000 1.140 194 N CA -0.054 53.088 53.050 0.153 0.000 0.788 194 N CB 2.244 40.837 38.487 0.177 0.000 1.361 194 N HN 0.239 nan 8.380 nan 0.000 0.489 195 A N -0.008 122.587 122.820 -0.375 0.000 2.602 195 A HA 0.509 4.821 4.320 -0.013 0.000 0.290 195 A C -1.171 176.303 177.584 -0.184 0.000 1.114 195 A CA -0.746 50.979 52.037 -0.520 0.000 0.683 195 A CB 1.160 19.886 19.000 -0.457 0.000 1.281 195 A HN 0.505 nan 8.150 nan 0.000 0.416 196 K N 0.794 121.151 120.400 -0.072 0.000 2.298 196 K HA 0.473 4.786 4.320 -0.013 0.000 0.280 196 K C 0.022 176.591 176.600 -0.052 0.000 1.032 196 K CA 0.684 56.968 56.287 -0.007 0.000 0.958 196 K CB 0.449 32.936 32.500 -0.023 0.000 0.978 196 K HN 0.929 nan 8.250 nan 0.000 0.472 197 T N -1.214 113.331 114.554 -0.016 0.000 2.807 197 T HA 0.215 4.557 4.350 -0.013 0.000 0.277 197 T C 1.304 176.007 174.700 0.005 0.000 1.006 197 T CA -0.876 61.215 62.100 -0.015 0.000 1.006 197 T CB 1.063 69.939 68.868 0.014 0.000 1.274 197 T HN 0.220 nan 8.240 nan 0.000 0.569 198 V N 0.617 120.542 119.914 0.018 0.000 2.490 198 V HA -0.043 4.069 4.120 -0.013 0.000 0.250 198 V C 2.506 178.640 176.094 0.068 0.000 1.061 198 V CA 1.528 63.853 62.300 0.042 0.000 1.064 198 V CB -1.060 30.804 31.823 0.068 0.000 0.670 198 V HN 0.769 nan 8.190 nan 0.000 0.461 199 R N -0.286 120.265 120.500 0.086 0.000 2.365 199 R HA 0.242 4.574 4.340 -0.013 0.000 0.223 199 R C 0.274 176.599 176.300 0.042 0.000 0.899 199 R CA 0.042 56.180 56.100 0.063 0.000 1.059 199 R CB 0.335 30.675 30.300 0.067 0.000 1.086 199 R HN 0.473 nan 8.270 nan 0.000 0.522 200 N N -0.245 118.481 118.700 0.043 0.000 2.493 200 N HA 0.096 4.828 4.740 -0.013 0.000 0.279 200 N C -0.589 174.949 175.510 0.046 0.000 1.082 200 N CA -0.393 52.683 53.050 0.042 0.000 0.963 200 N CB 1.117 39.633 38.487 0.049 0.000 1.627 200 N HN -0.231 nan 8.380 nan 0.000 0.499 201 N N 1.354 120.083 118.700 0.048 0.000 2.457 201 N HA -0.034 4.698 4.740 -0.013 0.000 0.180 201 N C -0.318 175.275 175.510 0.138 0.000 1.050 201 N CA 0.625 53.711 53.050 0.060 0.000 0.906 201 N CB -0.061 38.443 38.487 0.027 0.000 0.968 201 N HN 0.536 nan 8.380 nan 0.000 0.445 202 N N 0.084 118.869 118.700 0.141 0.000 2.703 202 N HA 0.032 4.764 4.740 -0.013 0.000 0.283 202 N C -1.575 174.037 175.510 0.169 0.000 1.851 202 N CA -0.107 53.090 53.050 0.245 0.000 0.826 202 N CB 0.353 38.953 38.487 0.189 0.000 1.239 202 N HN -0.210 nan 8.380 nan 0.000 0.495 203 S N 0.139 115.905 115.700 0.110 0.000 2.537 203 S HA 0.379 4.841 4.470 -0.013 0.000 0.275 203 S C -0.066 174.581 174.600 0.078 0.000 1.272 203 S CA -0.351 57.892 58.200 0.071 0.000 1.050 203 S CB 0.604 63.831 63.200 0.045 0.000 0.961 203 S HN 0.351 nan 8.310 nan 0.000 0.496 204 S N 3.056 118.791 115.700 0.058 0.000 2.523 204 S HA 0.390 4.852 4.470 -0.013 0.000 0.275 204 S C 0.502 175.134 174.600 0.053 0.000 1.281 204 S CA -0.699 57.523 58.200 0.038 0.000 1.050 204 S CB 0.131 63.248 63.200 -0.138 0.000 0.937 204 S HN 0.705 nan 8.310 nan 0.000 0.492 205 R N 3.203 123.832 120.500 0.215 0.000 2.509 205 R HA 0.270 4.603 4.340 -0.013 0.000 0.300 205 R C -0.537 175.963 176.300 0.333 0.000 0.985 205 R CA -0.022 56.239 56.100 0.267 0.000 1.092 205 R CB -0.887 29.651 30.300 0.397 0.000 1.237 205 R HN 0.655 nan 8.270 nan 0.000 0.546 206 F N -3.052 116.977 119.950 0.132 0.000 2.650 206 F HA 0.816 5.335 4.527 -0.013 0.000 0.320 206 F C 0.280 176.197 175.800 0.195 0.000 1.091 206 F CA -2.207 55.887 58.000 0.158 0.000 0.962 206 F CB 0.482 39.593 39.000 0.186 0.000 1.363 206 F HN -0.135 nan 8.300 nan 0.000 0.482 207 G N 1.379 110.350 108.800 0.284 0.000 2.333 207 G HA2 0.435 4.387 3.960 -0.013 0.000 0.290 207 G HA3 0.435 4.387 3.960 -0.013 0.000 0.290 207 G C -1.395 173.729 174.900 0.373 0.000 1.150 207 G CA -0.768 44.450 45.100 0.196 0.000 0.895 207 G HN 0.840 nan 8.290 nan 0.000 0.444 208 K N 2.722 123.209 120.400 0.145 0.000 2.367 208 K HA 0.395 4.707 4.320 -0.013 0.000 0.263 208 K C -1.473 175.332 176.600 0.342 0.000 1.000 208 K CA -0.842 55.625 56.287 0.300 0.000 0.891 208 K CB 0.749 33.312 32.500 0.103 0.000 1.117 208 K HN 0.266 nan 8.250 nan 0.000 0.443 209 F N 6.113 126.211 119.950 0.247 0.000 2.291 209 F HA 0.249 4.769 4.527 -0.013 0.000 0.368 209 F C -0.800 175.096 175.800 0.159 0.000 1.085 209 F CA -0.864 57.243 58.000 0.179 0.000 1.165 209 F CB 0.715 39.846 39.000 0.218 0.000 1.429 209 F HN 0.142 nan 8.300 nan 0.000 0.503 210 V N 5.646 125.482 119.914 -0.131 0.000 2.387 210 V HA 0.117 4.230 4.120 -0.013 0.000 0.260 210 V C 0.048 175.997 176.094 -0.243 0.000 1.054 210 V CA -0.366 61.868 62.300 -0.110 0.000 0.967 210 V CB -0.032 31.755 31.823 -0.059 0.000 1.036 210 V HN 0.554 nan 8.190 nan 0.000 0.481 211 E N 5.204 125.346 120.200 -0.096 0.000 2.227 211 E HA 0.460 4.802 4.350 -0.013 0.000 0.282 211 E C -0.754 175.949 176.600 0.171 0.000 1.015 211 E CA -0.625 55.751 56.400 -0.040 0.000 0.823 211 E CB 1.725 31.425 29.700 -0.000 0.000 1.081 211 E HN 0.445 nan 8.360 nan 0.000 0.396 212 I N 3.861 124.527 120.570 0.160 0.000 2.330 212 I HA 0.186 4.348 4.170 -0.013 0.000 0.289 212 I C 0.345 176.566 176.117 0.173 0.000 1.001 212 I CA -0.336 61.044 61.300 0.133 0.000 1.193 212 I CB 0.348 38.412 38.000 0.107 0.000 1.345 212 I HN 0.474 nan 8.210 nan 0.000 0.461 213 H N 5.818 124.821 119.070 -0.113 0.000 2.488 213 H HA 0.501 5.049 4.556 -0.013 0.000 0.347 213 H C -1.167 173.991 175.328 -0.283 0.000 1.174 213 H CA -0.160 55.805 56.048 -0.138 0.000 1.307 213 H CB 1.991 31.329 29.762 -0.707 0.000 1.517 213 H HN 0.287 nan 8.280 nan 0.000 0.554 214 F N 1.216 121.160 119.950 -0.010 0.000 2.565 214 F HA 0.088 4.608 4.527 -0.013 0.000 0.313 214 F C 0.485 176.270 175.800 -0.025 0.000 1.091 214 F CA -1.088 56.925 58.000 0.022 0.000 0.915 214 F CB 1.286 40.338 39.000 0.087 0.000 1.208 214 F HN 0.589 nan 8.300 nan 0.000 0.453 215 N N 0.631 119.421 118.700 0.150 0.000 2.327 215 N HA 0.075 4.807 4.740 -0.013 0.000 0.257 215 N C 0.504 176.061 175.510 0.078 0.000 1.281 215 N CA -0.335 52.760 53.050 0.074 0.000 0.942 215 N CB 0.344 38.868 38.487 0.062 0.000 1.199 215 N HN 0.590 nan 8.380 nan 0.000 0.532 216 E N -1.255 118.960 120.200 0.025 0.000 2.273 216 E HA -0.212 4.130 4.350 -0.013 0.000 0.198 216 E C 0.454 177.099 176.600 0.076 0.000 1.002 216 E CA 1.411 57.825 56.400 0.023 0.000 0.828 216 E CB -0.185 29.519 29.700 0.007 0.000 0.747 216 E HN 0.783 nan 8.360 nan 0.000 0.491 217 K N -0.789 119.666 120.400 0.092 0.000 2.593 217 K HA 0.309 4.621 4.320 -0.013 0.000 0.208 217 K C -0.187 176.496 176.600 0.140 0.000 1.051 217 K CA 0.085 56.429 56.287 0.095 0.000 1.111 217 K CB 0.593 33.142 32.500 0.082 0.000 0.849 217 K HN -0.172 nan 8.250 nan 0.000 0.479 218 S N -0.065 115.743 115.700 0.181 0.000 3.698 218 S HA -0.166 4.296 4.470 -0.013 0.000 0.338 218 S C -0.195 174.743 174.600 0.564 0.000 1.089 218 S CA 0.938 59.293 58.200 0.258 0.000 0.991 218 S CB -1.641 61.503 63.200 -0.094 0.000 0.909 218 S HN 0.680 nan 8.310 nan 0.000 0.485 219 S N 0.311 116.264 115.700 0.423 0.000 2.509 219 S HA 0.622 5.085 4.470 -0.013 0.000 0.297 219 S C 0.414 175.070 174.600 0.094 0.000 1.118 219 S CA -0.583 57.804 58.200 0.312 0.000 1.074 219 S CB 1.206 64.507 63.200 0.168 0.000 1.038 219 S HN 0.312 nan 8.310 nan 0.000 0.498 220 V N 5.051 124.878 119.914 -0.145 0.000 2.673 220 V HA 0.116 4.228 4.120 -0.013 0.000 0.303 220 V C 1.102 177.064 176.094 -0.220 0.000 1.046 220 V CA 0.808 62.820 62.300 -0.481 0.000 1.126 220 V CB 1.066 32.658 31.823 -0.386 0.000 0.934 220 V HN 0.910 nan 8.190 nan 0.000 0.487 221 V N 1.216 120.994 119.914 -0.228 0.000 3.432 221 V HA 0.809 4.921 4.120 -0.013 0.000 0.290 221 V C 0.349 176.434 176.094 -0.014 0.000 1.591 221 V CA 0.615 62.865 62.300 -0.083 0.000 1.069 221 V CB 0.187 31.980 31.823 -0.049 0.000 0.892 221 V HN 1.257 nan 8.190 nan 0.000 0.436 222 G N -1.086 107.675 108.800 -0.066 0.000 2.316 222 G HA2 0.563 4.515 3.960 -0.013 0.000 0.296 222 G HA3 0.563 4.515 3.960 -0.013 0.000 0.296 222 G C -0.594 174.388 174.900 0.137 0.000 1.399 222 G CA 0.089 45.279 45.100 0.150 0.000 0.833 222 G HN 0.981 nan 8.290 nan 0.000 0.565 223 G N -1.732 107.305 108.800 0.395 0.000 2.568 223 G HA2 0.850 4.803 3.960 -0.013 0.000 0.313 223 G HA3 0.850 4.803 3.960 -0.013 0.000 0.313 223 G C -1.856 173.525 174.900 0.801 0.000 1.227 223 G CA -0.919 44.367 45.100 0.310 0.000 0.979 223 G HN 1.344 nan 8.290 nan 0.000 0.486 224 F N 0.656 120.883 119.950 0.462 0.000 2.749 224 F HA 0.349 4.868 4.527 -0.013 0.000 0.339 224 F C -0.911 175.049 175.800 0.268 0.000 1.211 224 F CA -0.705 57.533 58.000 0.396 0.000 1.099 224 F CB 1.655 40.833 39.000 0.296 0.000 1.359 224 F HN 0.361 nan 8.300 nan 0.000 0.549 225 V N 5.227 125.006 119.914 -0.226 0.000 2.339 225 V HA 0.283 4.395 4.120 -0.013 0.000 0.261 225 V C 0.358 176.314 176.094 -0.230 0.000 1.058 225 V CA -0.111 62.122 62.300 -0.112 0.000 0.897 225 V CB 0.619 32.415 31.823 -0.046 0.000 1.052 225 V HN 0.768 nan 8.190 nan 0.000 0.480 226 S N 4.853 120.635 115.700 0.137 0.000 2.565 226 S HA 0.430 4.892 4.470 -0.013 0.000 0.276 226 S C -0.160 174.597 174.600 0.263 0.000 1.326 226 S CA -0.431 57.910 58.200 0.235 0.000 1.045 226 S CB 0.242 63.732 63.200 0.483 0.000 0.918 226 S HN 0.947 nan 8.310 nan 0.000 0.505 227 H N 0.691 119.650 119.070 -0.185 0.000 2.895 227 H HA 0.608 5.156 4.556 -0.013 0.000 0.373 227 H C -2.052 173.075 175.328 -0.335 0.000 1.174 227 H CA -0.814 55.244 56.048 0.016 0.000 1.144 227 H CB 0.617 30.385 29.762 0.009 0.000 1.793 227 H HN 0.583 nan 8.280 nan 0.000 0.551 228 Y N 0.783 121.167 120.300 0.140 0.000 2.519 228 Y HA 0.271 4.813 4.550 -0.013 0.000 0.336 228 Y C 0.275 176.224 175.900 0.082 0.000 1.089 228 Y CA -1.249 56.834 58.100 -0.028 0.000 1.025 228 Y CB 1.838 40.263 38.460 -0.059 0.000 1.318 228 Y HN 0.697 nan 8.280 nan 0.000 0.452 229 L N 1.586 122.885 121.223 0.128 0.000 3.634 229 L HA -0.249 4.083 4.340 -0.013 0.000 0.423 229 L C -0.330 176.667 176.870 0.212 0.000 1.253 229 L CA 0.018 54.914 54.840 0.095 0.000 0.885 229 L CB -1.120 40.909 42.059 -0.050 0.000 1.789 229 L HN 0.510 nan 8.230 nan 0.000 0.904 230 L N 1.264 122.617 121.223 0.217 0.000 2.559 230 L HA -0.000 4.332 4.340 -0.013 0.000 0.282 230 L C 1.205 178.198 176.870 0.205 0.000 1.232 230 L CA 0.841 55.780 54.840 0.165 0.000 0.885 230 L CB 0.465 42.502 42.059 -0.037 0.000 1.131 230 L HN 0.210 nan 8.230 nan 0.000 0.498 231 E N 3.761 124.120 120.200 0.265 0.000 1.944 231 E HA 0.009 4.352 4.350 -0.013 0.000 0.272 231 E C 0.200 176.950 176.600 0.250 0.000 1.195 231 E CA -0.510 56.043 56.400 0.255 0.000 0.926 231 E CB 0.495 30.326 29.700 0.218 0.000 1.051 231 E HN 0.505 nan 8.360 nan 0.000 0.404 232 K N 1.532 122.053 120.400 0.201 0.000 2.217 232 K HA -0.096 4.216 4.320 -0.013 0.000 0.202 232 K C 1.966 178.630 176.600 0.107 0.000 1.051 232 K CA 1.152 57.542 56.287 0.172 0.000 0.952 232 K CB -0.310 32.285 32.500 0.159 0.000 0.736 232 K HN 0.483 nan 8.250 nan 0.000 0.453 233 S N 1.035 116.785 115.700 0.083 0.000 2.402 233 S HA -0.141 4.322 4.470 -0.013 0.000 0.229 233 S C 2.138 176.712 174.600 -0.043 0.000 1.021 233 S CA 0.825 59.039 58.200 0.023 0.000 0.974 233 S CB -0.250 62.973 63.200 0.038 0.000 0.800 233 S HN 0.277 nan 8.310 nan 0.000 0.484 234 R N 1.141 121.613 120.500 -0.047 0.000 2.159 234 R HA 0.037 4.370 4.340 -0.013 0.000 0.237 234 R C 2.019 178.196 176.300 -0.204 0.000 1.131 234 R CA 1.382 57.387 56.100 -0.158 0.000 0.982 234 R CB -0.562 29.566 30.300 -0.287 0.000 0.868 234 R HN 0.536 nan 8.270 nan 0.000 0.453 235 I N -0.371 120.127 120.570 -0.121 0.000 2.335 235 I HA -0.348 3.814 4.170 -0.013 0.000 0.251 235 I C 1.677 177.468 176.117 -0.543 0.000 1.129 235 I CA 1.017 62.183 61.300 -0.224 0.000 1.402 235 I CB -0.037 37.900 38.000 -0.104 0.000 1.069 235 I HN 0.363 nan 8.210 nan 0.000 0.424 236 C N -1.341 117.660 119.300 -0.499 0.000 2.937 236 C HA 0.349 4.801 4.460 -0.013 0.000 0.426 236 C C 0.752 175.564 174.990 -0.297 0.000 1.321 236 C CA -0.349 58.222 59.018 -0.744 0.000 2.082 236 C CB 0.670 28.086 27.740 -0.540 0.000 2.834 236 C HN 0.059 nan 8.230 nan 0.000 0.593 237 V N 1.481 121.287 119.914 -0.181 0.000 2.841 237 V HA 0.579 4.691 4.120 -0.013 0.000 0.310 237 V C -1.418 174.622 176.094 -0.089 0.000 1.090 237 V CA -0.236 62.013 62.300 -0.085 0.000 0.930 237 V CB 2.043 33.839 31.823 -0.046 0.000 1.014 237 V HN 0.381 nan 8.190 nan 0.000 0.425 238 Q N 1.099 120.861 119.800 -0.065 0.000 2.501 238 Q HA 0.763 5.095 4.340 -0.013 0.000 0.288 238 Q C 0.050 176.017 176.000 -0.055 0.000 1.051 238 Q CA -0.302 55.458 55.803 -0.073 0.000 0.788 238 Q CB 1.934 30.625 28.738 -0.077 0.000 1.469 238 Q HN 0.946 nan 8.270 nan 0.000 0.416 239 G N 0.138 108.897 108.800 -0.070 0.000 2.535 239 G HA2 0.440 4.393 3.960 -0.013 0.000 0.303 239 G HA3 0.440 4.393 3.960 -0.013 0.000 0.303 239 G C -0.796 174.073 174.900 -0.053 0.000 1.237 239 G CA -0.792 44.268 45.100 -0.066 0.000 0.986 239 G HN 0.359 nan 8.290 nan 0.000 0.494 240 K N 0.616 120.990 120.400 -0.044 0.000 2.485 240 K HA 0.109 4.421 4.320 -0.013 0.000 0.277 240 K C 0.118 176.696 176.600 -0.037 0.000 0.990 240 K CA 0.487 56.757 56.287 -0.030 0.000 0.994 240 K CB 0.468 32.956 32.500 -0.020 0.000 0.906 240 K HN 0.662 nan 8.250 nan 0.000 0.488 241 E N -0.378 119.806 120.200 -0.026 0.000 4.129 241 E HA -0.179 4.163 4.350 -0.013 0.000 0.354 241 E C -0.494 176.081 176.600 -0.041 0.000 0.673 241 E CA 1.230 57.614 56.400 -0.027 0.000 1.347 241 E CB -0.693 28.995 29.700 -0.020 0.000 1.722 241 E HN 0.678 nan 8.360 nan 0.000 0.410 242 E N 0.427 120.596 120.200 -0.052 0.000 2.235 242 E HA 0.611 4.953 4.350 -0.013 0.000 0.265 242 E C 0.293 176.853 176.600 -0.066 0.000 0.940 242 E CA -0.582 55.776 56.400 -0.071 0.000 0.819 242 E CB 1.936 31.582 29.700 -0.089 0.000 1.206 242 E HN 0.048 nan 8.360 nan 0.000 0.409 243 R N 0.813 121.255 120.500 -0.097 0.000 2.855 243 R HA 0.344 4.676 4.340 -0.013 0.000 0.266 243 R C 0.150 176.406 176.300 -0.073 0.000 1.034 243 R CA -0.981 55.081 56.100 -0.063 0.000 0.944 243 R CB 1.149 31.278 30.300 -0.284 0.000 1.219 243 R HN 0.422 nan 8.270 nan 0.000 0.474 244 N N 0.345 119.108 118.700 0.106 0.000 2.255 244 N HA 0.020 4.752 4.740 -0.013 0.000 0.253 244 N C -0.663 174.863 175.510 0.027 0.000 1.313 244 N CA 0.294 53.335 53.050 -0.015 0.000 0.912 244 N CB 0.207 38.691 38.487 -0.005 0.000 1.145 244 N HN 0.250 nan 8.380 nan 0.000 0.511 245 Y N 1.208 121.655 120.300 0.246 0.000 2.497 245 Y HA -0.011 4.531 4.550 -0.014 0.000 0.334 245 Y C 1.973 178.021 175.900 0.246 0.000 1.199 245 Y CA 0.054 58.231 58.100 0.127 0.000 1.425 245 Y CB 0.217 38.716 38.460 0.064 0.000 1.291 245 Y HN 0.509 nan 8.280 nan 0.000 0.562 246 H N 1.792 121.041 119.070 0.299 0.000 2.292 246 H HA -0.253 4.295 4.556 -0.013 0.000 0.292 246 H C 2.254 177.682 175.328 0.166 0.000 1.100 246 H CA 2.323 58.489 56.048 0.197 0.000 1.238 246 H CB -0.396 29.437 29.762 0.118 0.000 1.355 246 H HN 0.774 nan 8.280 nan 0.000 0.484 247 I N 0.741 121.352 120.570 0.069 0.000 2.181 247 I HA -0.311 3.851 4.170 -0.013 0.000 0.247 247 I C 2.027 178.068 176.117 -0.126 0.000 1.081 247 I CA 1.238 62.406 61.300 -0.220 0.000 1.340 247 I CB -0.668 36.836 38.000 -0.827 0.000 1.036 247 I HN -0.022 nan 8.210 nan 0.000 0.417 248 F N -0.229 119.741 119.950 0.034 0.000 2.069 248 F HA -0.259 4.260 4.527 -0.012 0.000 0.298 248 F C 2.292 177.979 175.800 -0.189 0.000 1.113 248 F CA 2.148 60.070 58.000 -0.130 0.000 1.214 248 F CB -1.321 37.529 39.000 -0.249 0.000 0.978 248 F HN 0.113 nan 8.300 nan 0.000 0.474 249 Y N -0.500 119.886 120.300 0.142 0.000 2.314 249 Y HA -0.062 4.482 4.550 -0.011 0.000 0.293 249 Y C 2.400 178.287 175.900 -0.021 0.000 1.129 249 Y CA 0.716 58.849 58.100 0.055 0.000 1.201 249 Y CB -0.702 37.809 38.460 0.084 0.000 0.999 249 Y HN -0.085 nan 8.280 nan 0.000 0.541 250 R N -0.414 120.181 120.500 0.159 0.000 2.062 250 R HA -0.156 4.176 4.340 -0.013 0.000 0.231 250 R C 2.141 178.309 176.300 -0.220 0.000 1.136 250 R CA 1.469 57.618 56.100 0.081 0.000 0.948 250 R CB -0.867 29.564 30.300 0.218 0.000 0.845 250 R HN 0.246 nan 8.270 nan 0.000 0.430 251 L N 0.924 121.987 121.223 -0.266 0.000 2.042 251 L HA -0.211 4.122 4.340 -0.013 0.000 0.210 251 L C 2.041 178.599 176.870 -0.521 0.000 1.076 251 L CA 1.668 56.167 54.840 -0.567 0.000 0.749 251 L CB -0.579 41.225 42.059 -0.426 0.000 0.893 251 L HN 0.232 nan 8.230 nan 0.000 0.432 252 C N -0.771 118.344 119.300 -0.307 0.000 2.432 252 C HA 0.055 4.507 4.460 -0.013 0.000 0.282 252 C C 2.692 177.547 174.990 -0.224 0.000 1.388 252 C CA 0.651 59.538 59.018 -0.218 0.000 1.777 252 C CB -1.596 26.070 27.740 -0.122 0.000 1.882 252 C HN 0.702 nan 8.230 nan 0.000 0.520 253 A N -0.734 121.920 122.820 -0.276 0.000 2.229 253 A HA 0.446 4.758 4.320 -0.013 0.000 0.211 253 A C 2.035 179.291 177.584 -0.546 0.000 1.193 253 A CA 1.085 52.956 52.037 -0.276 0.000 0.879 253 A CB -0.297 18.636 19.000 -0.112 0.000 0.911 253 A HN 0.498 nan 8.150 nan 0.000 0.492 254 G N -0.800 107.529 108.800 -0.785 0.000 2.759 254 G HA2 0.431 4.383 3.960 -0.013 0.000 0.208 254 G HA3 0.431 4.383 3.960 -0.013 0.000 0.208 254 G C 0.766 175.032 174.900 -1.058 0.000 1.076 254 G CA 0.675 45.160 45.100 -1.026 0.000 0.789 254 G HN 0.689 nan 8.290 nan 0.000 0.546 255 A N 1.268 123.420 122.820 -1.113 0.000 2.555 255 A HA 0.468 4.780 4.320 -0.013 0.000 0.233 255 A C 1.194 178.628 177.584 -0.249 0.000 1.060 255 A CA 0.498 52.183 52.037 -0.586 0.000 0.759 255 A CB -0.034 18.696 19.000 -0.451 0.000 0.995 255 A HN 1.071 nan 8.150 nan 0.000 0.506 256 S N 1.266 116.926 115.700 -0.067 0.000 2.573 256 S HA 0.114 4.577 4.470 -0.013 0.000 0.277 256 S C 0.600 175.169 174.600 -0.052 0.000 1.346 256 S CA 0.350 58.538 58.200 -0.021 0.000 1.034 256 S CB 0.512 63.734 63.200 0.038 0.000 0.879 256 S HN 0.648 nan 8.310 nan 0.000 0.528 257 E N 0.874 121.052 120.200 -0.037 0.000 2.219 257 E HA -0.153 4.189 4.350 -0.013 0.000 0.198 257 E C 1.354 177.931 176.600 -0.038 0.000 0.998 257 E CA 1.608 57.985 56.400 -0.039 0.000 0.818 257 E CB -0.287 29.400 29.700 -0.020 0.000 0.741 257 E HN 0.868 nan 8.360 nan 0.000 0.477 258 D N -0.001 120.384 120.400 -0.025 0.000 2.075 258 D HA -0.101 4.531 4.640 -0.013 0.000 0.196 258 D C 1.778 178.053 176.300 -0.041 0.000 0.985 258 D CA 1.117 55.102 54.000 -0.025 0.000 0.834 258 D CB -0.166 40.632 40.800 -0.003 0.000 0.987 258 D HN 0.133 nan 8.370 nan 0.000 0.452 259 I N 0.101 120.657 120.570 -0.023 0.000 2.194 259 I HA -0.268 3.894 4.170 -0.013 0.000 0.246 259 I C 2.714 178.784 176.117 -0.078 0.000 1.093 259 I CA 1.090 62.377 61.300 -0.022 0.000 1.355 259 I CB -0.396 37.621 38.000 0.030 0.000 1.046 259 I HN 0.091 nan 8.210 nan 0.000 0.413 260 R N 1.018 121.460 120.500 -0.097 0.000 2.139 260 R HA -0.227 4.106 4.340 -0.013 0.000 0.243 260 R C 2.034 178.263 176.300 -0.118 0.000 1.145 260 R CA 1.805 57.839 56.100 -0.109 0.000 0.976 260 R CB -0.061 30.176 30.300 -0.104 0.000 0.866 260 R HN 0.463 nan 8.270 nan 0.000 0.449 261 E N -0.576 119.548 120.200 -0.127 0.000 2.060 261 E HA -0.106 4.236 4.350 -0.013 0.000 0.189 261 E C 2.184 178.572 176.600 -0.353 0.000 0.974 261 E CA 0.734 57.030 56.400 -0.173 0.000 0.808 261 E CB 0.065 29.703 29.700 -0.102 0.000 0.768 261 E HN 0.287 nan 8.360 nan 0.000 0.453 262 R N 0.527 120.868 120.500 -0.265 0.000 2.105 262 R HA -0.089 4.244 4.340 -0.013 0.000 0.239 262 R C 1.984 178.001 176.300 -0.472 0.000 1.135 262 R CA 1.061 56.976 56.100 -0.309 0.000 0.967 262 R CB -0.132 30.090 30.300 -0.131 0.000 0.861 262 R HN 0.157 nan 8.270 nan 0.000 0.442 263 L N 0.037 121.074 121.223 -0.309 0.000 2.607 263 L HA 0.130 4.463 4.340 -0.013 0.000 0.228 263 L C -0.251 176.593 176.870 -0.043 0.000 1.123 263 L CA -0.232 54.529 54.840 -0.132 0.000 0.890 263 L CB -0.239 41.824 42.059 0.005 0.000 1.103 263 L HN 0.364 nan 8.230 nan 0.000 0.468 264 H N -0.763 118.248 119.070 -0.098 0.000 2.655 264 H HA -0.161 4.391 4.556 -0.007 0.000 0.313 264 H C 0.570 175.967 175.328 0.115 0.000 1.141 264 H CA 0.324 56.271 56.048 -0.168 0.000 1.138 264 H CB -1.955 27.345 29.762 -0.770 0.000 1.446 264 H HN 0.341 nan 8.280 nan 0.000 0.415 265 L N 0.062 121.366 121.223 0.135 0.000 2.475 265 L HA 0.333 4.665 4.340 -0.013 0.000 0.212 265 L C 1.312 178.299 176.870 0.196 0.000 1.204 265 L CA 0.738 55.678 54.840 0.166 0.000 0.843 265 L CB 0.466 42.513 42.059 -0.019 0.000 1.360 265 L HN 0.591 nan 8.230 nan 0.000 0.527 266 S N -2.598 113.223 115.700 0.203 0.000 2.614 266 S HA 0.012 4.475 4.470 -0.013 0.000 0.271 266 S C -0.719 173.980 174.600 0.163 0.000 1.053 266 S CA -0.623 57.650 58.200 0.123 0.000 0.969 266 S CB 0.140 63.377 63.200 0.062 0.000 1.218 266 S HN 0.565 nan 8.310 nan 0.000 0.470 267 S N 1.667 117.411 115.700 0.073 0.000 2.573 267 S HA 0.269 4.732 4.470 -0.013 0.000 0.297 267 S C -1.553 173.146 174.600 0.165 0.000 1.280 267 S CA -0.180 58.064 58.200 0.073 0.000 1.061 267 S CB 0.189 63.401 63.200 0.021 0.000 0.812 267 S HN 0.488 nan 8.310 nan 0.000 0.500 268 P HA -0.067 nan 4.420 nan 0.000 0.219 268 P C 0.679 178.070 177.300 0.152 0.000 1.146 268 P CA 0.840 64.041 63.100 0.169 0.000 0.808 268 P CB 0.057 31.773 31.700 0.026 0.000 0.779 269 D N -1.129 119.315 120.400 0.074 0.000 2.351 269 D HA -0.084 4.548 4.640 -0.013 0.000 0.216 269 D C 0.990 177.248 176.300 -0.070 0.000 0.968 269 D CA 0.786 54.796 54.000 0.018 0.000 0.899 269 D CB -0.459 40.346 40.800 0.008 0.000 0.907 269 D HN 0.202 nan 8.370 nan 0.000 0.514 270 N N -0.114 118.478 118.700 -0.180 0.000 2.383 270 N HA 0.009 4.741 4.740 -0.013 0.000 0.192 270 N C -0.521 174.506 175.510 -0.806 0.000 1.141 270 N CA 0.139 52.896 53.050 -0.487 0.000 0.851 270 N CB 0.233 38.337 38.487 -0.638 0.000 0.976 270 N HN 0.123 nan 8.380 nan 0.000 0.465 271 F N -0.194 119.690 119.950 -0.109 0.000 2.507 271 F HA 0.409 4.928 4.527 -0.014 0.000 0.328 271 F C 1.545 177.266 175.800 -0.132 0.000 1.136 271 F CA -1.111 56.797 58.000 -0.154 0.000 0.930 271 F CB 1.837 40.712 39.000 -0.209 0.000 1.166 271 F HN -0.269 nan 8.300 nan 0.000 0.436 272 R N 1.479 121.978 120.500 -0.003 0.000 2.103 272 R HA -0.207 4.126 4.340 -0.013 0.000 0.242 272 R C 1.171 177.545 176.300 0.123 0.000 1.142 272 R CA 1.939 58.045 56.100 0.010 0.000 0.960 272 R CB -0.217 30.052 30.300 -0.051 0.000 0.858 272 R HN 0.617 nan 8.270 nan 0.000 0.439 273 Y N 0.262 120.521 120.300 -0.068 0.000 2.680 273 Y HA 0.063 4.608 4.550 -0.009 0.000 0.303 273 Y C 0.256 176.004 175.900 -0.254 0.000 1.166 273 Y CA 0.442 58.431 58.100 -0.185 0.000 1.344 273 Y CB -0.090 38.187 38.460 -0.306 0.000 1.002 273 Y HN 0.040 nan 8.280 nan 0.000 0.537 274 L N 1.014 122.223 121.223 -0.024 0.000 2.401 274 L HA 0.316 4.648 4.340 -0.013 0.000 0.263 274 L C -0.211 176.701 176.870 0.070 0.000 1.004 274 L CA -0.345 54.433 54.840 -0.103 0.000 0.881 274 L CB 0.802 42.633 42.059 -0.381 0.000 1.219 274 L HN -0.086 nan 8.230 nan 0.000 0.441 275 N N 2.249 121.030 118.700 0.136 0.000 2.445 275 N HA 0.341 5.073 4.740 -0.013 0.000 0.264 275 N C 0.049 175.677 175.510 0.198 0.000 1.227 275 N CA -0.510 52.616 53.050 0.127 0.000 0.963 275 N CB 1.674 40.199 38.487 0.063 0.000 1.188 275 N HN 0.505 nan 8.380 nan 0.000 0.491 309 P HA -0.122 nan 4.420 nan 0.000 0.215 309 P C 1.520 178.819 177.300 -0.002 0.000 1.153 309 P CA 0.519 63.621 63.100 0.002 0.000 0.853 309 P CB 0.453 32.155 31.700 0.002 0.000 0.788 310 L N -1.738 119.480 121.223 -0.008 0.000 2.456 310 L HA -0.053 4.279 4.340 -0.013 0.000 0.224 310 L C 1.082 177.941 176.870 -0.018 0.000 1.148 310 L CA 0.774 55.607 54.840 -0.012 0.000 0.825 310 L CB -1.411 40.640 42.059 -0.013 0.000 0.937 310 L HN -0.059 nan 8.230 nan 0.000 0.450 311 L N 0.555 121.765 121.223 -0.022 0.000 2.454 311 L HA 0.086 4.418 4.340 -0.013 0.000 0.284 311 L C 0.247 177.110 176.870 -0.013 0.000 1.139 311 L CA 0.124 54.943 54.840 -0.035 0.000 0.911 311 L CB -0.354 41.671 42.059 -0.058 0.000 1.262 311 L HN -0.015 nan 8.230 nan 0.000 0.453 312 D N 1.657 122.052 120.400 -0.009 0.000 2.558 312 D HA 0.025 4.658 4.640 -0.013 0.000 0.221 312 D C 0.870 177.200 176.300 0.049 0.000 1.143 312 D CA 0.064 54.078 54.000 0.023 0.000 1.010 312 D CB 0.356 41.166 40.800 0.017 0.000 1.068 312 D HN 0.406 nan 8.370 nan 0.000 0.511 313 D N 0.875 121.316 120.400 0.068 0.000 2.117 313 D HA -0.204 4.429 4.640 -0.013 0.000 0.198 313 D C 1.518 177.916 176.300 0.163 0.000 0.982 313 D CA 0.791 54.849 54.000 0.098 0.000 0.828 313 D CB 0.030 40.894 40.800 0.106 0.000 0.967 313 D HN 0.547 nan 8.370 nan 0.000 0.464 314 H N 1.049 120.149 119.070 0.051 0.000 2.265 314 H HA -0.106 4.443 4.556 -0.012 0.000 0.295 314 H C 2.131 177.531 175.328 0.121 0.000 1.084 314 H CA 2.188 58.274 56.048 0.063 0.000 1.261 314 H CB -0.602 29.180 29.762 0.033 0.000 1.360 314 H HN 0.170 nan 8.280 nan 0.000 0.487 315 G N 0.185 109.133 108.800 0.247 0.000 2.402 315 G HA2 -0.211 3.741 3.960 -0.013 0.000 0.216 315 G HA3 -0.211 3.741 3.960 -0.013 0.000 0.216 315 G C 1.436 176.414 174.900 0.131 0.000 1.162 315 G CA 0.791 45.973 45.100 0.137 0.000 0.777 315 G HN 0.400 nan 8.290 nan 0.000 0.539 316 D N -0.123 120.344 120.400 0.110 0.000 2.219 316 D HA -0.080 4.553 4.640 -0.013 0.000 0.205 316 D C 1.862 178.224 176.300 0.104 0.000 0.970 316 D CA 0.322 54.362 54.000 0.067 0.000 0.851 316 D CB -0.226 40.578 40.800 0.007 0.000 0.943 316 D HN 0.347 nan 8.370 nan 0.000 0.488 317 F N 1.220 121.189 119.950 0.032 0.000 2.146 317 F HA -0.078 4.442 4.527 -0.012 0.000 0.298 317 F C 2.036 177.865 175.800 0.048 0.000 1.096 317 F CA 0.980 58.990 58.000 0.017 0.000 1.275 317 F CB -0.170 38.812 39.000 -0.030 0.000 1.008 317 F HN -0.166 nan 8.300 nan 0.000 0.480 318 I N 0.432 121.058 120.570 0.093 0.000 2.163 318 I HA -0.276 3.886 4.170 -0.013 0.000 0.240 318 I C 2.516 178.592 176.117 -0.069 0.000 1.081 318 I CA 1.405 62.703 61.300 -0.004 0.000 1.353 318 I CB -0.558 37.527 38.000 0.140 0.000 1.054 318 I HN 0.012 nan 8.210 nan 0.000 0.407 319 R N 0.133 120.623 120.500 -0.016 0.000 2.127 319 R HA -0.204 4.129 4.340 -0.013 0.000 0.238 319 R C 2.337 178.610 176.300 -0.045 0.000 1.134 319 R CA 1.575 57.663 56.100 -0.020 0.000 0.975 319 R CB -0.398 29.903 30.300 0.003 0.000 0.865 319 R HN 0.437 nan 8.270 nan 0.000 0.447 320 M N 0.082 119.634 119.600 -0.079 0.000 2.099 320 M HA -0.196 4.277 4.480 -0.013 0.000 0.262 320 M C 2.039 178.274 176.300 -0.107 0.000 1.067 320 M CA 1.659 56.915 55.300 -0.073 0.000 1.124 320 M CB -0.110 32.451 32.600 -0.066 0.000 1.353 320 M HN 0.260 nan 8.290 nan 0.000 0.410 321 C N 0.333 119.489 119.300 -0.239 0.000 2.429 321 C HA -0.128 4.324 4.460 -0.013 0.000 0.277 321 C C 2.644 177.582 174.990 -0.087 0.000 1.262 321 C CA 1.566 60.475 59.018 -0.182 0.000 1.733 321 C CB -1.302 26.270 27.740 -0.279 0.000 2.010 321 C HN 0.622 nan 8.230 nan 0.000 0.483 322 T N 1.271 115.779 114.554 -0.076 0.000 2.624 322 T HA -0.233 4.109 4.350 -0.013 0.000 0.268 322 T C 2.052 176.738 174.700 -0.023 0.000 1.041 322 T CA 2.077 64.155 62.100 -0.036 0.000 1.159 322 T CB -0.479 68.374 68.868 -0.024 0.000 0.863 322 T HN 0.667 nan 8.240 nan 0.000 0.434 323 A N 0.860 123.668 122.820 -0.019 0.000 1.969 323 A HA 0.004 4.316 4.320 -0.013 0.000 0.218 323 A C 2.339 179.920 177.584 -0.004 0.000 1.169 323 A CA 1.373 53.408 52.037 -0.003 0.000 0.635 323 A CB -0.632 18.375 19.000 0.012 0.000 0.810 323 A HN 0.471 nan 8.150 nan 0.000 0.445 324 M N -0.529 119.064 119.600 -0.012 0.000 2.159 324 M HA -0.175 4.297 4.480 -0.013 0.000 0.263 324 M C 2.029 178.311 176.300 -0.030 0.000 1.063 324 M CA 1.676 56.965 55.300 -0.018 0.000 1.110 324 M CB -0.304 32.285 32.600 -0.019 0.000 1.374 324 M HN 0.392 nan 8.290 nan 0.000 0.411 325 K N 0.251 120.634 120.400 -0.028 0.000 2.062 325 K HA -0.087 4.226 4.320 -0.013 0.000 0.205 325 K C 1.808 178.395 176.600 -0.020 0.000 1.051 325 K CA 0.917 57.188 56.287 -0.027 0.000 0.941 325 K CB -0.235 32.251 32.500 -0.022 0.000 0.719 325 K HN 0.320 nan 8.250 nan 0.000 0.440 326 K N 0.696 121.089 120.400 -0.013 0.000 2.286 326 K HA -0.114 4.199 4.320 -0.013 0.000 0.203 326 K C 1.760 178.356 176.600 -0.007 0.000 1.045 326 K CA 0.915 57.199 56.287 -0.006 0.000 0.935 326 K CB -0.101 32.400 32.500 0.001 0.000 0.737 326 K HN 0.158 nan 8.250 nan 0.000 0.460 327 I N -0.183 120.379 120.570 -0.014 0.000 3.226 327 I HA 0.013 4.176 4.170 -0.013 0.000 0.277 327 I C 1.343 177.436 176.117 -0.039 0.000 1.243 327 I CA 0.800 62.087 61.300 -0.022 0.000 1.459 327 I CB -0.834 37.148 38.000 -0.030 0.000 1.093 327 I HN 0.389 nan 8.210 nan 0.000 0.453 328 G N 1.531 110.308 108.800 -0.038 0.000 2.130 328 G HA2 -0.232 3.721 3.960 -0.013 0.000 0.216 328 G HA3 -0.232 3.721 3.960 -0.013 0.000 0.216 328 G C -0.006 174.860 174.900 -0.058 0.000 0.999 328 G CA -0.279 44.794 45.100 -0.045 0.000 0.686 328 G HN 0.238 nan 8.290 nan 0.000 0.515 329 L N 3.109 124.294 121.223 -0.062 0.000 2.282 329 L HA 0.399 4.731 4.340 -0.013 0.000 0.287 329 L C 0.854 177.677 176.870 -0.079 0.000 1.075 329 L CA -0.901 53.892 54.840 -0.079 0.000 0.839 329 L CB 0.325 42.332 42.059 -0.087 0.000 1.219 329 L HN 0.372 nan 8.230 nan 0.000 0.434 330 D N 1.867 122.221 120.400 -0.077 0.000 2.384 330 D HA -0.041 4.591 4.640 -0.013 0.000 0.244 330 D C -0.014 176.229 176.300 -0.095 0.000 1.251 330 D CA -0.477 53.481 54.000 -0.071 0.000 0.961 330 D CB 0.954 41.719 40.800 -0.059 0.000 1.116 330 D HN 0.390 nan 8.370 nan 0.000 0.484 331 D N -0.457 119.898 120.400 -0.076 0.000 2.264 331 D HA -0.133 4.499 4.640 -0.013 0.000 0.208 331 D C 1.560 177.787 176.300 -0.122 0.000 0.966 331 D CA 0.745 54.696 54.000 -0.083 0.000 0.864 331 D CB 0.030 40.808 40.800 -0.037 0.000 0.933 331 D HN 0.595 nan 8.370 nan 0.000 0.499 332 E N 0.863 120.995 120.200 -0.114 0.000 2.015 332 E HA -0.170 4.172 4.350 -0.013 0.000 0.191 332 E C 1.957 178.430 176.600 -0.210 0.000 0.991 332 E CA 0.975 57.297 56.400 -0.131 0.000 0.802 332 E CB 0.141 29.787 29.700 -0.091 0.000 0.759 332 E HN 0.406 nan 8.360 nan 0.000 0.447 333 E N 0.649 120.729 120.200 -0.200 0.000 2.208 333 E HA -0.205 4.137 4.350 -0.013 0.000 0.193 333 E C 2.083 178.457 176.600 -0.377 0.000 0.988 333 E CA 0.792 57.030 56.400 -0.270 0.000 0.828 333 E CB -0.182 29.446 29.700 -0.119 0.000 0.763 333 E HN 0.063 nan 8.360 nan 0.000 0.478 334 K N 0.640 120.821 120.400 -0.365 0.000 2.044 334 K HA -0.209 4.104 4.320 -0.013 0.000 0.210 334 K C 2.185 178.246 176.600 -0.898 0.000 1.049 334 K CA 1.568 57.487 56.287 -0.612 0.000 0.927 334 K CB -0.162 32.067 32.500 -0.453 0.000 0.713 334 K HN 0.197 nan 8.250 nan 0.000 0.443 335 L N 1.473 122.394 121.223 -0.503 0.000 2.056 335 L HA -0.144 4.188 4.340 -0.013 0.000 0.207 335 L C 1.485 178.168 176.870 -0.311 0.000 1.078 335 L CA 1.840 56.499 54.840 -0.302 0.000 0.749 335 L CB -0.447 41.538 42.059 -0.124 0.000 0.901 335 L HN 0.203 nan 8.230 nan 0.000 0.433 336 D N -0.297 119.825 120.400 -0.464 0.000 2.133 336 D HA -0.238 4.394 4.640 -0.013 0.000 0.195 336 D C 2.288 178.175 176.300 -0.688 0.000 0.997 336 D CA 1.804 55.358 54.000 -0.744 0.000 0.840 336 D CB -0.279 39.716 40.800 -1.341 0.000 0.947 336 D HN 0.373 nan 8.370 nan 0.000 0.452 337 L N -0.223 120.670 121.223 -0.550 0.000 2.017 337 L HA -0.165 4.168 4.340 -0.013 0.000 0.208 337 L C 2.443 179.378 176.870 0.108 0.000 1.073 337 L CA 0.840 55.557 54.840 -0.205 0.000 0.745 337 L CB -0.507 41.452 42.059 -0.167 0.000 0.894 337 L HN -0.032 nan 8.230 nan 0.000 0.432 338 F N 0.320 120.283 119.950 0.021 0.000 2.269 338 F HA -0.119 4.400 4.527 -0.014 0.000 0.301 338 F C 2.674 178.498 175.800 0.040 0.000 1.082 338 F CA 0.805 58.839 58.000 0.056 0.000 1.360 338 F CB -0.972 38.060 39.000 0.053 0.000 1.041 338 F HN -0.015 nan 8.300 nan 0.000 0.512 339 R N -0.058 120.539 120.500 0.162 0.000 2.066 339 R HA -0.096 4.236 4.340 -0.013 0.000 0.232 339 R C 2.234 178.637 176.300 0.171 0.000 1.131 339 R CA 1.460 57.635 56.100 0.125 0.000 0.955 339 R CB -0.647 29.677 30.300 0.039 0.000 0.851 339 R HN 0.137 nan 8.270 nan 0.000 0.432 340 V N 0.400 120.419 119.914 0.175 0.000 2.295 340 V HA -0.217 3.895 4.120 -0.013 0.000 0.246 340 V C 2.374 178.640 176.094 0.286 0.000 1.049 340 V CA 1.564 64.006 62.300 0.237 0.000 1.024 340 V CB -0.448 31.525 31.823 0.251 0.000 0.648 340 V HN 0.118 nan 8.190 nan 0.000 0.447 341 V N 0.580 120.665 119.914 0.284 0.000 2.282 341 V HA -0.339 3.773 4.120 -0.013 0.000 0.249 341 V C 2.761 179.017 176.094 0.270 0.000 1.057 341 V CA 2.400 64.870 62.300 0.283 0.000 1.032 341 V CB -1.252 30.655 31.823 0.141 0.000 0.645 341 V HN 0.576 nan 8.190 nan 0.000 0.447 342 A N 0.293 123.216 122.820 0.172 0.000 1.902 342 A HA -0.085 4.228 4.320 -0.013 0.000 0.217 342 A C 2.454 180.154 177.584 0.193 0.000 1.181 342 A CA 1.933 54.023 52.037 0.088 0.000 0.623 342 A CB -1.335 17.746 19.000 0.135 0.000 0.818 342 A HN 0.552 nan 8.150 nan 0.000 0.443 343 G N -0.442 108.524 108.800 0.277 0.000 2.469 343 G HA2 -0.199 3.753 3.960 -0.013 0.000 0.219 343 G HA3 -0.199 3.753 3.960 -0.013 0.000 0.219 343 G C 1.506 176.577 174.900 0.285 0.000 1.150 343 G CA 1.413 46.696 45.100 0.305 0.000 0.763 343 G HN 0.349 nan 8.290 nan 0.000 0.561 344 V N 0.743 120.842 119.914 0.309 0.000 2.427 344 V HA -0.072 4.040 4.120 -0.013 0.000 0.248 344 V C 2.894 179.133 176.094 0.242 0.000 1.051 344 V CA 1.285 63.797 62.300 0.354 0.000 1.048 344 V CB -0.318 31.815 31.823 0.516 0.000 0.666 344 V HN 0.350 nan 8.190 nan 0.000 0.456 345 L N -0.919 120.355 121.223 0.086 0.000 2.083 345 L HA -0.169 4.164 4.340 -0.013 0.000 0.209 345 L C 2.658 179.456 176.870 -0.121 0.000 1.083 345 L CA 1.416 56.132 54.840 -0.208 0.000 0.752 345 L CB -0.738 40.894 42.059 -0.711 0.000 0.899 345 L HN 0.437 nan 8.230 nan 0.000 0.433 346 H N -0.923 118.231 119.070 0.140 0.000 2.372 346 H HA -0.103 4.446 4.556 -0.013 0.000 0.301 346 H C 2.114 177.471 175.328 0.048 0.000 1.065 346 H CA 1.164 57.317 56.048 0.176 0.000 1.364 346 H CB -0.177 29.730 29.762 0.241 0.000 1.406 346 H HN 0.153 nan 8.280 nan 0.000 0.521 347 L N 1.189 122.512 121.223 0.166 0.000 2.010 347 L HA -0.138 4.194 4.340 -0.013 0.000 0.219 347 L C 2.472 179.291 176.870 -0.084 0.000 1.077 347 L CA 2.297 57.193 54.840 0.094 0.000 0.773 347 L CB -1.165 41.005 42.059 0.185 0.000 0.892 347 L HN 0.291 nan 8.230 nan 0.000 0.436 348 G N -1.470 107.084 108.800 -0.410 0.000 2.535 348 G HA2 -0.270 3.683 3.960 -0.013 0.000 0.218 348 G HA3 -0.270 3.683 3.960 -0.013 0.000 0.218 348 G C 1.361 175.892 174.900 -0.616 0.000 1.122 348 G CA 0.803 45.166 45.100 -1.228 0.000 0.769 348 G HN 0.483 nan 8.290 nan 0.000 0.549 349 N N 0.094 118.624 118.700 -0.284 0.000 2.392 349 N HA 0.102 4.835 4.740 -0.013 0.000 0.177 349 N C 0.897 176.305 175.510 -0.171 0.000 1.066 349 N CA -0.183 52.767 53.050 -0.167 0.000 0.895 349 N CB 0.139 38.595 38.487 -0.050 0.000 0.988 349 N HN 0.266 nan 8.380 nan 0.000 0.457 350 I N 2.123 122.583 120.570 -0.183 0.000 2.769 350 I HA -0.094 4.068 4.170 -0.013 0.000 0.285 350 I C -0.012 175.817 176.117 -0.479 0.000 1.173 350 I CA 0.484 61.596 61.300 -0.313 0.000 1.389 350 I CB -0.009 37.827 38.000 -0.274 0.000 1.404 350 I HN -0.144 nan 8.210 nan 0.000 0.544 351 D N 6.369 126.466 120.400 -0.504 0.000 2.326 351 D HA 0.619 5.251 4.640 -0.013 0.000 0.251 351 D C -0.545 175.331 176.300 -0.707 0.000 1.023 351 D CA -0.062 53.679 54.000 -0.432 0.000 0.966 351 D CB 1.635 42.319 40.800 -0.195 0.000 1.156 351 D HN 0.118 nan 8.370 nan 0.000 0.494 352 F N -0.362 119.583 119.950 -0.007 0.000 2.629 352 F HA 0.398 4.910 4.527 -0.025 0.000 0.316 352 F C 0.215 176.012 175.800 -0.006 0.000 1.081 352 F CA -0.887 57.110 58.000 -0.004 0.000 0.954 352 F CB 1.903 40.906 39.000 0.005 0.000 1.337 352 F HN 0.227 nan 8.300 nan 0.000 0.474 353 E N -0.488 119.833 120.200 0.203 0.000 2.412 353 E HA 0.389 4.732 4.350 -0.013 0.000 0.279 353 E C -1.799 174.849 176.600 0.081 0.000 0.984 353 E CA -1.117 55.346 56.400 0.105 0.000 0.788 353 E CB 1.903 31.635 29.700 0.054 0.000 1.277 353 E HN 0.308 nan 8.360 nan 0.000 0.455 354 E N 0.503 120.732 120.200 0.049 0.000 2.338 354 E HA 0.308 4.650 4.350 -0.013 0.000 0.272 354 E C -0.153 176.462 176.600 0.024 0.000 1.029 354 E CA 0.225 56.643 56.400 0.031 0.000 0.872 354 E CB 1.650 31.361 29.700 0.018 0.000 1.015 354 E HN 0.654 nan 8.360 nan 0.000 0.417 355 A N 1.690 124.522 122.820 0.020 0.000 2.259 355 A HA 0.390 4.702 4.320 -0.013 0.000 0.213 355 A C 1.286 178.874 177.584 0.007 0.000 1.209 355 A CA 0.693 52.738 52.037 0.014 0.000 0.910 355 A CB 0.264 19.273 19.000 0.015 0.000 0.946 355 A HN 0.735 nan 8.150 nan 0.000 0.497 356 G N -1.450 107.353 108.800 0.005 0.000 2.131 356 G HA2 0.088 4.040 3.960 -0.013 0.000 0.223 356 G HA3 0.088 4.040 3.960 -0.013 0.000 0.223 356 G C 0.459 175.359 174.900 -0.000 0.000 0.990 356 G CA 0.494 45.595 45.100 0.001 0.000 0.671 356 G HN 1.501 nan 8.290 nan 0.000 0.521 357 S N 0.978 116.678 115.700 0.001 0.000 4.120 357 S HA 0.539 5.001 4.470 -0.013 0.000 0.215 357 S C 1.132 175.730 174.600 -0.004 0.000 1.347 357 S CA 1.031 59.231 58.200 -0.000 0.000 0.889 357 S CB -0.575 62.627 63.200 0.004 0.000 1.585 357 S HN 1.563 nan 8.310 nan 0.000 0.447 358 T N 2.772 117.323 114.554 -0.005 0.000 2.910 358 T HA -0.134 4.208 4.350 -0.013 0.000 0.459 358 T C 0.920 175.614 174.700 -0.010 0.000 0.777 358 T CA 0.814 62.910 62.100 -0.008 0.000 2.387 358 T CB -1.808 67.055 68.868 -0.008 0.000 1.610 358 T HN 0.777 nan 8.240 nan 0.000 0.515 362 C N -0.143 119.151 119.300 -0.010 0.000 2.967 362 C HA 1.032 5.484 4.460 -0.013 0.000 0.372 362 C C -0.308 174.724 174.990 0.069 0.000 1.455 362 C CA -0.927 58.107 59.018 0.027 0.000 1.638 362 C CB 1.269 29.023 27.740 0.023 0.000 2.096 362 C HN 1.232 nan 8.230 nan 0.000 0.466 363 N N -0.559 118.216 118.700 0.126 0.000 2.525 363 N HA 0.598 5.330 4.740 -0.013 0.000 0.270 363 N C -1.604 174.044 175.510 0.229 0.000 1.321 363 N CA -0.794 52.353 53.050 0.161 0.000 0.797 363 N CB 0.330 38.863 38.487 0.078 0.000 1.529 363 N HN 0.660 nan 8.380 nan 0.000 0.491 364 L N 0.678 122.004 121.223 0.172 0.000 2.490 364 L HA 0.106 4.438 4.340 -0.013 0.000 0.274 364 L C 0.847 177.674 176.870 -0.072 0.000 1.201 364 L CA 0.487 55.296 54.840 -0.052 0.000 0.869 364 L CB 0.026 42.017 42.059 -0.115 0.000 1.123 364 L HN 0.402 nan 8.230 nan 0.000 0.484 365 K N 2.968 123.288 120.400 -0.134 0.000 2.448 365 K HA -0.024 4.288 4.320 -0.013 0.000 0.278 365 K C 0.816 177.353 176.600 -0.105 0.000 1.009 365 K CA -0.293 55.937 56.287 -0.095 0.000 0.995 365 K CB 0.370 32.808 32.500 -0.104 0.000 0.917 365 K HN 0.469 nan 8.250 nan 0.000 0.481 366 N N 2.586 121.241 118.700 -0.075 0.000 2.205 366 N HA -0.147 4.585 4.740 -0.013 0.000 0.186 366 N C 0.891 176.343 175.510 -0.097 0.000 1.015 366 N CA 1.158 54.161 53.050 -0.079 0.000 0.862 366 N CB 0.108 38.560 38.487 -0.058 0.000 0.986 366 N HN 0.437 nan 8.380 nan 0.000 0.429 367 K N 0.063 120.406 120.400 -0.095 0.000 2.360 367 K HA 0.043 4.355 4.320 -0.013 0.000 0.201 367 K C 1.057 177.579 176.600 -0.131 0.000 1.046 367 K CA 0.652 56.878 56.287 -0.102 0.000 0.940 367 K CB 0.058 32.505 32.500 -0.088 0.000 0.748 367 K HN 0.068 nan 8.250 nan 0.000 0.465 368 S N 0.073 115.681 115.700 -0.154 0.000 2.556 368 S HA 0.022 4.484 4.470 -0.013 0.000 0.216 368 S C 1.435 175.918 174.600 -0.195 0.000 0.970 368 S CA 0.084 58.173 58.200 -0.185 0.000 0.912 368 S CB 0.359 63.413 63.200 -0.244 0.000 0.790 368 S HN 0.260 nan 8.310 nan 0.000 0.504 369 T N 2.922 117.367 114.554 -0.182 0.000 2.653 369 T HA -0.224 4.119 4.350 -0.013 0.000 0.268 369 T C 1.845 176.370 174.700 -0.292 0.000 1.035 369 T CA 1.492 63.475 62.100 -0.194 0.000 1.154 369 T CB -0.239 68.532 68.868 -0.160 0.000 0.862 369 T HN 0.475 nan 8.240 nan 0.000 0.441 370 Q N 0.381 119.961 119.800 -0.366 0.000 2.046 370 Q HA 0.004 4.336 4.340 -0.013 0.000 0.200 370 Q C 2.841 178.362 176.000 -0.800 0.000 0.975 370 Q CA 1.324 56.704 55.803 -0.706 0.000 0.836 370 Q CB -0.356 28.021 28.738 -0.603 0.000 0.896 370 Q HN 0.581 nan 8.270 nan 0.000 0.428 371 A N 1.021 123.636 122.820 -0.342 0.000 1.940 371 A HA -0.199 4.113 4.320 -0.013 0.000 0.219 371 A C 2.051 179.574 177.584 -0.102 0.000 1.176 371 A CA 1.355 53.339 52.037 -0.088 0.000 0.631 371 A CB -0.578 18.418 19.000 -0.007 0.000 0.814 371 A HN 0.375 nan 8.150 nan 0.000 0.446 372 L N 0.518 121.638 121.223 -0.172 0.000 2.072 372 L HA -0.127 4.205 4.340 -0.013 0.000 0.205 372 L C 2.423 179.227 176.870 -0.110 0.000 1.079 372 L CA 2.629 57.404 54.840 -0.108 0.000 0.752 372 L CB -0.586 41.404 42.059 -0.114 0.000 0.906 372 L HN 0.657 nan 8.230 nan 0.000 0.436 373 E N -1.613 118.452 120.200 -0.225 0.000 2.046 373 E HA -0.241 4.101 4.350 -0.013 0.000 0.190 373 E C 2.085 178.632 176.600 -0.090 0.000 0.982 373 E CA 1.147 57.439 56.400 -0.181 0.000 0.800 373 E CB -0.884 28.662 29.700 -0.257 0.000 0.756 373 E HN 0.448 nan 8.360 nan 0.000 0.449 374 Y N 1.464 121.620 120.300 -0.240 0.000 2.114 374 Y HA -0.285 4.266 4.550 0.002 0.000 0.282 374 Y C 2.890 178.719 175.900 -0.118 0.000 1.165 374 Y CA 0.520 58.419 58.100 -0.336 0.000 1.148 374 Y CB -1.458 36.502 38.460 -0.833 0.000 0.972 374 Y HN 0.385 nan 8.280 nan 0.000 0.504 375 C N 0.339 119.716 119.300 0.128 0.000 2.436 375 C HA -0.063 4.390 4.460 -0.013 0.000 0.277 375 C C 3.010 178.083 174.990 0.139 0.000 1.241 375 C CA 1.310 60.446 59.018 0.197 0.000 1.721 375 C CB -1.507 26.346 27.740 0.189 0.000 2.043 375 C HN 0.549 nan 8.230 nan 0.000 0.472 376 A N 0.111 122.981 122.820 0.083 0.000 1.948 376 A HA -0.256 4.056 4.320 -0.013 0.000 0.220 376 A C 2.259 179.889 177.584 0.077 0.000 1.177 376 A CA 2.163 54.239 52.037 0.064 0.000 0.636 376 A CB -0.942 18.076 19.000 0.029 0.000 0.815 376 A HN 0.860 nan 8.150 nan 0.000 0.449 377 E N -0.075 120.181 120.200 0.093 0.000 2.028 377 E HA -0.130 4.212 4.350 -0.013 0.000 0.191 377 E C 1.914 178.585 176.600 0.119 0.000 0.988 377 E CA 1.110 57.573 56.400 0.106 0.000 0.799 377 E CB -0.217 29.570 29.700 0.144 0.000 0.755 377 E HN 0.633 nan 8.360 nan 0.000 0.447 378 L N 0.635 121.950 121.223 0.153 0.000 2.201 378 L HA -0.096 4.236 4.340 -0.013 0.000 0.212 378 L C 2.169 179.127 176.870 0.146 0.000 1.105 378 L CA 0.558 55.493 54.840 0.159 0.000 0.775 378 L CB -0.133 42.058 42.059 0.220 0.000 0.913 378 L HN 0.217 nan 8.230 nan 0.000 0.440 379 L N -0.423 120.883 121.223 0.138 0.000 2.607 379 L HA 0.272 4.604 4.340 -0.013 0.000 0.228 379 L C 1.160 178.082 176.870 0.086 0.000 1.123 379 L CA 0.149 55.064 54.840 0.125 0.000 0.890 379 L CB -0.162 41.974 42.059 0.129 0.000 1.103 379 L HN 0.372 nan 8.230 nan 0.000 0.468 380 G N 1.513 110.359 108.800 0.077 0.000 2.272 380 G HA2 -0.262 3.690 3.960 -0.013 0.000 0.280 380 G HA3 -0.262 3.690 3.960 -0.013 0.000 0.280 380 G C -0.204 174.716 174.900 0.034 0.000 1.067 380 G CA 0.136 45.268 45.100 0.054 0.000 0.902 380 G HN 0.257 nan 8.290 nan 0.000 0.500 381 L N -0.954 120.291 121.223 0.036 0.000 2.319 381 L HA 0.550 4.882 4.340 -0.013 0.000 0.267 381 L C 0.200 177.082 176.870 0.020 0.000 1.011 381 L CA -1.218 53.635 54.840 0.020 0.000 0.818 381 L CB 1.721 43.792 42.059 0.021 0.000 1.316 381 L HN 0.182 nan 8.230 nan 0.000 0.432 382 D N 0.402 120.809 120.400 0.011 0.000 2.383 382 D HA -0.006 4.626 4.640 -0.013 0.000 0.252 382 D C 0.936 177.242 176.300 0.011 0.000 1.166 382 D CA 0.157 54.163 54.000 0.010 0.000 0.879 382 D CB 1.145 41.948 40.800 0.006 0.000 1.164 382 D HN 0.517 nan 8.370 nan 0.000 0.462 383 Q N 2.748 122.552 119.800 0.006 0.000 2.152 383 Q HA -0.270 4.063 4.340 -0.013 0.000 0.206 383 Q C 0.829 176.831 176.000 0.003 0.000 0.985 383 Q CA 1.882 57.684 55.803 -0.002 0.000 0.863 383 Q CB 0.147 28.874 28.738 -0.019 0.000 0.904 383 Q HN 0.677 nan 8.270 nan 0.000 0.422 384 D N -0.299 120.103 120.400 0.004 0.000 2.162 384 D HA -0.115 4.518 4.640 -0.013 0.000 0.205 384 D C 1.232 177.542 176.300 0.018 0.000 0.964 384 D CA 1.170 55.175 54.000 0.008 0.000 0.847 384 D CB -0.001 40.801 40.800 0.004 0.000 0.988 384 D HN 0.250 nan 8.370 nan 0.000 0.480 385 D N 0.249 120.659 120.400 0.016 0.000 2.106 385 D HA -0.185 4.447 4.640 -0.013 0.000 0.191 385 D C 2.094 178.413 176.300 0.032 0.000 0.997 385 D CA 0.644 54.656 54.000 0.020 0.000 0.834 385 D CB -0.576 40.231 40.800 0.011 0.000 0.956 385 D HN 0.200 nan 8.370 nan 0.000 0.448 386 L N 1.058 122.300 121.223 0.032 0.000 2.013 386 L HA -0.175 4.157 4.340 -0.013 0.000 0.212 386 L C 2.334 179.248 176.870 0.073 0.000 1.073 386 L CA 1.755 56.624 54.840 0.049 0.000 0.753 386 L CB -0.587 41.499 42.059 0.046 0.000 0.890 386 L HN -0.099 nan 8.230 nan 0.000 0.432 387 R N -1.223 119.314 120.500 0.063 0.000 2.073 387 R HA -0.137 4.195 4.340 -0.013 0.000 0.234 387 R C 2.126 178.483 176.300 0.094 0.000 1.134 387 R CA 1.954 58.104 56.100 0.083 0.000 0.952 387 R CB -0.370 29.960 30.300 0.050 0.000 0.850 387 R HN 0.351 nan 8.270 nan 0.000 0.433 388 V N 0.002 119.955 119.914 0.064 0.000 2.343 388 V HA -0.222 3.890 4.120 -0.013 0.000 0.247 388 V C 2.055 178.192 176.094 0.072 0.000 1.051 388 V CA 2.176 64.508 62.300 0.054 0.000 1.036 388 V CB -0.332 31.512 31.823 0.035 0.000 0.654 388 V HN 0.356 nan 8.190 nan 0.000 0.451 389 S N -0.536 115.219 115.700 0.092 0.000 2.489 389 S HA 0.120 4.582 4.470 -0.013 0.000 0.228 389 S C 1.709 176.421 174.600 0.187 0.000 0.995 389 S CA 0.733 59.022 58.200 0.149 0.000 0.934 389 S CB -0.133 63.140 63.200 0.120 0.000 0.771 389 S HN 0.458 nan 8.310 nan 0.000 0.522 390 L N 1.141 122.454 121.223 0.150 0.000 2.341 390 L HA 0.035 4.367 4.340 -0.013 0.000 0.214 390 L C 2.110 178.989 176.870 0.015 0.000 1.115 390 L CA 1.155 56.087 54.840 0.154 0.000 0.820 390 L CB -0.209 42.030 42.059 0.299 0.000 0.944 390 L HN 0.408 nan 8.230 nan 0.000 0.452 391 T N -5.421 109.151 114.554 0.031 0.000 3.043 391 T HA 0.145 4.487 4.350 -0.013 0.000 0.272 391 T C 0.526 175.192 174.700 -0.056 0.000 0.990 391 T CA 0.181 62.249 62.100 -0.053 0.000 0.897 391 T CB 0.148 69.039 68.868 0.037 0.000 1.111 391 T HN 0.205 nan 8.240 nan 0.000 0.529 392 T N -0.765 113.764 114.554 -0.042 0.000 2.864 392 T HA 0.714 5.056 4.350 -0.013 0.000 0.299 392 T C -1.234 173.351 174.700 -0.192 0.000 1.166 392 T CA -1.036 61.010 62.100 -0.090 0.000 1.007 392 T CB 3.050 71.888 68.868 -0.049 0.000 1.219 392 T HN 0.391 nan 8.240 nan 0.000 0.506 393 R N 0.863 121.197 120.500 -0.277 0.000 2.795 393 R HA 0.777 5.110 4.340 -0.013 0.000 0.275 393 R C -0.473 175.701 176.300 -0.211 0.000 0.981 393 R CA -0.820 54.999 56.100 -0.469 0.000 0.917 393 R CB 2.135 32.041 30.300 -0.656 0.000 1.202 393 R HN 0.820 nan 8.270 nan 0.000 0.469 408 K N 4.752 125.130 120.400 -0.037 0.000 2.299 408 K HA 0.563 4.875 4.320 -0.013 0.000 0.268 408 K C -0.496 176.070 176.600 -0.055 0.000 1.075 408 K CA -0.602 55.658 56.287 -0.046 0.000 0.936 408 K CB 2.002 34.482 32.500 -0.034 0.000 1.228 408 K HN 0.303 nan 8.250 nan 0.000 0.454 409 V N 5.936 125.804 119.914 -0.077 0.000 2.455 409 V HA 0.140 4.253 4.120 -0.013 0.000 0.273 409 V C -2.021 174.019 176.094 -0.090 0.000 1.045 409 V CA -1.803 60.448 62.300 -0.081 0.000 0.976 409 V CB 0.480 32.245 31.823 -0.098 0.000 0.993 409 V HN 0.601 nan 8.190 nan 0.000 0.475 410 P HA 0.356 nan 4.420 nan 0.000 0.274 410 P C -0.741 176.509 177.300 -0.083 0.000 1.237 410 P CA -0.328 62.731 63.100 -0.067 0.000 0.793 410 P CB 0.685 32.357 31.700 -0.046 0.000 0.977 411 L N 1.221 122.387 121.223 -0.094 0.000 2.334 411 L HA 0.445 4.777 4.340 -0.013 0.000 0.276 411 L C 0.825 177.633 176.870 -0.103 0.000 1.014 411 L CA -0.971 53.802 54.840 -0.111 0.000 0.815 411 L CB 1.508 43.478 42.059 -0.148 0.000 1.268 411 L HN 0.290 nan 8.230 nan 0.000 0.428 412 K N 0.637 120.985 120.400 -0.087 0.000 2.136 412 K HA 0.144 4.456 4.320 -0.013 0.000 0.237 412 K C 0.980 177.517 176.600 -0.105 0.000 1.048 412 K CA -0.515 55.730 56.287 -0.071 0.000 0.880 412 K CB 0.978 33.450 32.500 -0.047 0.000 1.105 412 K HN 0.305 nan 8.250 nan 0.000 0.507 413 V N 1.434 121.311 119.914 -0.062 0.000 2.233 413 V HA -0.273 3.840 4.120 -0.013 0.000 0.247 413 V C 2.071 178.120 176.094 -0.075 0.000 1.050 413 V CA 1.843 64.113 62.300 -0.049 0.000 1.010 413 V CB -0.531 31.314 31.823 0.037 0.000 0.637 413 V HN 0.728 nan 8.190 nan 0.000 0.444 414 E N -0.354 119.825 120.200 -0.036 0.000 2.070 414 E HA -0.323 4.020 4.350 -0.013 0.000 0.197 414 E C 2.322 178.890 176.600 -0.053 0.000 1.004 414 E CA 1.770 58.156 56.400 -0.024 0.000 0.805 414 E CB -0.213 29.480 29.700 -0.012 0.000 0.744 414 E HN 0.683 nan 8.360 nan 0.000 0.451 415 Q N -0.043 119.710 119.800 -0.079 0.000 2.124 415 Q HA -0.143 4.190 4.340 -0.013 0.000 0.202 415 Q C 2.147 178.071 176.000 -0.128 0.000 0.977 415 Q CA 1.358 57.114 55.803 -0.080 0.000 0.850 415 Q CB -0.123 28.567 28.738 -0.079 0.000 0.901 415 Q HN 0.238 nan 8.270 nan 0.000 0.429 416 A N 1.201 123.849 122.820 -0.287 0.000 1.897 416 A HA -0.181 4.131 4.320 -0.013 0.000 0.215 416 A C 1.751 179.091 177.584 -0.408 0.000 1.181 416 A CA 1.246 52.944 52.037 -0.565 0.000 0.620 416 A CB -0.431 17.770 19.000 -1.332 0.000 0.821 416 A HN 0.267 nan 8.150 nan 0.000 0.443 417 N N 1.081 119.660 118.700 -0.201 0.000 2.091 417 N HA -0.166 4.567 4.740 -0.013 0.000 0.193 417 N C 1.255 176.822 175.510 0.094 0.000 1.021 417 N CA 1.683 54.790 53.050 0.094 0.000 0.862 417 N CB -0.495 38.056 38.487 0.106 0.000 1.018 417 N HN 0.501 nan 8.380 nan 0.000 0.429 418 N N 0.488 119.208 118.700 0.033 0.000 2.300 418 N HA 0.022 4.754 4.740 -0.013 0.000 0.179 418 N C 1.560 177.115 175.510 0.074 0.000 1.016 418 N CA 0.861 53.944 53.050 0.055 0.000 0.876 418 N CB -0.317 38.190 38.487 0.034 0.000 0.979 418 N HN 0.234 nan 8.380 nan 0.000 0.432 419 A N 1.475 124.329 122.820 0.057 0.000 1.897 419 A HA -0.097 4.215 4.320 -0.013 0.000 0.215 419 A C 2.254 179.903 177.584 0.108 0.000 1.181 419 A CA 0.920 53.005 52.037 0.081 0.000 0.620 419 A CB -0.367 18.698 19.000 0.108 0.000 0.821 419 A HN 0.131 nan 8.150 nan 0.000 0.443 420 R N 0.077 120.675 120.500 0.163 0.000 2.080 420 R HA -0.193 4.139 4.340 -0.013 0.000 0.236 420 R C 1.351 177.800 176.300 0.248 0.000 1.137 420 R CA 2.230 58.476 56.100 0.244 0.000 0.943 420 R CB -0.624 29.886 30.300 0.351 0.000 0.846 420 R HN 0.444 nan 8.270 nan 0.000 0.431 421 D N 0.320 120.860 120.400 0.235 0.000 2.144 421 D HA -0.103 4.529 4.640 -0.013 0.000 0.199 421 D C 1.775 178.162 176.300 0.144 0.000 0.984 421 D CA 1.458 55.580 54.000 0.203 0.000 0.834 421 D CB -0.343 40.542 40.800 0.142 0.000 0.955 421 D HN 0.387 nan 8.370 nan 0.000 0.465 422 A N 0.802 123.697 122.820 0.124 0.000 1.877 422 A HA -0.154 4.158 4.320 -0.013 0.000 0.216 422 A C 2.146 179.811 177.584 0.135 0.000 1.186 422 A CA 1.121 53.226 52.037 0.112 0.000 0.620 422 A CB -0.792 18.259 19.000 0.084 0.000 0.822 422 A HN 0.247 nan 8.150 nan 0.000 0.443 423 L N -0.166 121.135 121.223 0.130 0.000 2.012 423 L HA -0.102 4.230 4.340 -0.013 0.000 0.210 423 L C 2.690 179.693 176.870 0.221 0.000 1.073 423 L CA 2.310 57.241 54.840 0.151 0.000 0.748 423 L CB -0.884 41.249 42.059 0.123 0.000 0.891 423 L HN 0.358 nan 8.230 nan 0.000 0.431 424 A N -0.605 122.361 122.820 0.243 0.000 1.883 424 A HA -0.260 4.052 4.320 -0.013 0.000 0.217 424 A C 2.344 180.085 177.584 0.263 0.000 1.186 424 A CA 2.159 54.370 52.037 0.289 0.000 0.624 424 A CB -0.553 18.652 19.000 0.341 0.000 0.822 424 A HN 0.526 nan 8.150 nan 0.000 0.444 425 K N -0.944 119.572 120.400 0.194 0.000 2.026 425 K HA -0.093 4.219 4.320 -0.013 0.000 0.208 425 K C 2.131 178.891 176.600 0.267 0.000 1.048 425 K CA 1.805 58.213 56.287 0.201 0.000 0.929 425 K CB -0.440 32.143 32.500 0.140 0.000 0.713 425 K HN 0.503 nan 8.250 nan 0.000 0.439 426 T N 0.990 115.708 114.554 0.274 0.000 2.746 426 T HA -0.107 4.235 4.350 -0.013 0.000 0.267 426 T C 2.047 177.004 174.700 0.429 0.000 1.039 426 T CA 1.205 63.517 62.100 0.354 0.000 1.142 426 T CB -0.215 68.882 68.868 0.382 0.000 0.866 426 T HN -0.059 nan 8.240 nan 0.000 0.444 427 V N 0.315 120.472 119.914 0.405 0.000 2.270 427 V HA -0.166 3.947 4.120 -0.013 0.000 0.245 427 V C 2.038 178.320 176.094 0.314 0.000 1.043 427 V CA 1.588 64.126 62.300 0.398 0.000 1.014 427 V CB -0.746 31.304 31.823 0.378 0.000 0.645 427 V HN 0.459 nan 8.190 nan 0.000 0.447 428 Y N 0.762 121.213 120.300 0.251 0.000 2.224 428 Y HA -0.260 4.282 4.550 -0.014 0.000 0.289 428 Y C 2.924 178.921 175.900 0.162 0.000 1.146 428 Y CA 1.899 60.137 58.100 0.230 0.000 1.182 428 Y CB -0.269 38.359 38.460 0.280 0.000 0.983 428 Y HN 0.241 nan 8.280 nan 0.000 0.524 429 S N -1.171 114.680 115.700 0.252 0.000 2.382 429 S HA -0.238 4.224 4.470 -0.013 0.000 0.228 429 S C 1.687 176.253 174.600 -0.057 0.000 1.027 429 S CA 1.764 60.032 58.200 0.113 0.000 0.991 429 S CB -0.505 62.757 63.200 0.102 0.000 0.823 429 S HN 0.707 nan 8.310 nan 0.000 0.469 430 H N -0.040 118.952 119.070 -0.131 0.000 2.462 430 H HA 0.141 4.689 4.556 -0.012 0.000 0.292 430 H C 1.814 176.977 175.328 -0.275 0.000 1.049 430 H CA 1.243 57.116 56.048 -0.293 0.000 1.334 430 H CB -0.138 29.238 29.762 -0.642 0.000 1.404 430 H HN 0.271 nan 8.280 nan 0.000 0.544 431 L N -0.427 120.717 121.223 -0.132 0.000 2.056 431 L HA -0.123 4.209 4.340 -0.013 0.000 0.207 431 L C 1.947 178.614 176.870 -0.338 0.000 1.078 431 L CA 1.411 56.117 54.840 -0.224 0.000 0.749 431 L CB -0.685 41.227 42.059 -0.246 0.000 0.901 431 L HN 0.203 nan 8.230 nan 0.000 0.433 432 F N 0.471 120.104 119.950 -0.528 0.000 2.146 432 F HA -0.191 4.329 4.527 -0.013 0.000 0.298 432 F C 2.145 177.647 175.800 -0.496 0.000 1.096 432 F CA 1.723 59.402 58.000 -0.536 0.000 1.275 432 F CB -0.408 38.320 39.000 -0.452 0.000 1.008 432 F HN 0.205 nan 8.300 nan 0.000 0.480 433 D N -0.891 119.286 120.400 -0.372 0.000 2.116 433 D HA -0.262 4.370 4.640 -0.013 0.000 0.193 433 D C 2.335 178.335 176.300 -0.498 0.000 0.998 433 D CA 1.769 55.508 54.000 -0.435 0.000 0.836 433 D CB -0.897 39.765 40.800 -0.229 0.000 0.951 433 D HN 0.444 nan 8.370 nan 0.000 0.449 434 H N 0.710 119.504 119.070 -0.460 0.000 2.353 434 H HA -0.060 4.489 4.556 -0.012 0.000 0.300 434 H C 2.071 177.104 175.328 -0.490 0.000 1.090 434 H CA 0.985 56.779 56.048 -0.422 0.000 1.327 434 H CB -0.026 29.515 29.762 -0.368 0.000 1.383 434 H HN -0.051 nan 8.280 nan 0.000 0.508 435 V N 0.634 120.207 119.914 -0.568 0.000 2.407 435 V HA -0.204 3.909 4.120 -0.013 0.000 0.248 435 V C 2.860 178.520 176.094 -0.723 0.000 1.055 435 V CA 1.339 63.239 62.300 -0.667 0.000 1.049 435 V CB -0.337 30.979 31.823 -0.845 0.000 0.662 435 V HN 0.259 nan 8.190 nan 0.000 0.455 436 V N 0.442 119.797 119.914 -0.931 0.000 2.548 436 V HA -0.212 3.900 4.120 -0.013 0.000 0.249 436 V C 2.275 177.950 176.094 -0.699 0.000 1.055 436 V CA 2.061 63.822 62.300 -0.897 0.000 1.065 436 V CB -0.883 30.168 31.823 -1.286 0.000 0.681 436 V HN 0.666 nan 8.190 nan 0.000 0.462 437 N N 0.297 118.600 118.700 -0.662 0.000 2.142 437 N HA -0.186 4.546 4.740 -0.013 0.000 0.186 437 N C 2.110 177.299 175.510 -0.536 0.000 1.023 437 N CA 0.987 53.710 53.050 -0.544 0.000 0.852 437 N CB -0.009 38.197 38.487 -0.469 0.000 0.998 437 N HN 0.254 nan 8.380 nan 0.000 0.424 438 R N 0.890 121.032 120.500 -0.596 0.000 2.075 438 R HA -0.029 4.303 4.340 -0.013 0.000 0.232 438 R C 2.248 178.287 176.300 -0.435 0.000 1.126 438 R CA 0.540 56.349 56.100 -0.486 0.000 0.963 438 R CB -0.884 29.142 30.300 -0.457 0.000 0.858 438 R HN 0.153 nan 8.270 nan 0.000 0.435 439 V N 2.101 121.750 119.914 -0.442 0.000 2.332 439 V HA -0.267 3.845 4.120 -0.013 0.000 0.248 439 V C 1.938 177.625 176.094 -0.677 0.000 1.055 439 V CA 1.828 63.889 62.300 -0.398 0.000 1.038 439 V CB -0.552 31.100 31.823 -0.285 0.000 0.651 439 V HN 0.300 nan 8.190 nan 0.000 0.450 440 N N -0.069 118.211 118.700 -0.700 0.000 2.289 440 N HA -0.162 4.570 4.740 -0.013 0.000 0.184 440 N C 1.872 176.870 175.510 -0.854 0.000 1.016 440 N CA 1.090 53.612 53.050 -0.880 0.000 0.872 440 N CB -0.267 37.838 38.487 -0.637 0.000 0.973 440 N HN 0.616 nan 8.380 nan 0.000 0.433 441 Q N -0.781 118.662 119.800 -0.595 0.000 2.436 441 Q HA 0.062 4.394 4.340 -0.013 0.000 0.209 441 Q C 1.272 177.031 176.000 -0.401 0.000 0.965 441 Q CA 0.432 55.981 55.803 -0.423 0.000 0.910 441 Q CB 0.045 28.595 28.738 -0.313 0.000 0.980 441 Q HN 0.361 nan 8.270 nan 0.000 0.491 442 C N 0.625 119.602 119.300 -0.539 0.000 2.525 442 C HA 0.004 4.456 4.460 -0.013 0.000 0.279 442 C C 0.268 175.188 174.990 -0.118 0.000 1.437 442 C CA -0.074 58.765 59.018 -0.298 0.000 1.704 442 C CB -1.578 26.060 27.740 -0.170 0.000 1.672 442 C HN 0.535 nan 8.230 nan 0.000 0.582 443 F N -3.078 116.852 119.950 -0.033 0.000 2.654 443 F HA 0.334 4.853 4.527 -0.013 0.000 0.410 443 F C -3.114 172.718 175.800 0.053 0.000 1.329 443 F CA -2.322 55.685 58.000 0.012 0.000 1.077 443 F CB -1.715 37.299 39.000 0.025 0.000 2.204 443 F HN -0.179 nan 8.300 nan 0.000 0.479 444 P HA 0.469 nan 4.420 nan 0.000 0.272 444 P C -0.621 176.745 177.300 0.110 0.000 1.240 444 P CA 0.066 63.138 63.100 -0.046 0.000 0.791 444 P CB 0.717 32.331 31.700 -0.144 0.000 0.978 445 F N -2.496 117.453 119.950 -0.001 0.000 2.629 445 F HA 0.588 5.108 4.527 -0.013 0.000 0.316 445 F C 1.196 176.974 175.800 -0.035 0.000 1.081 445 F CA -1.094 56.899 58.000 -0.012 0.000 0.954 445 F CB 1.111 40.105 39.000 -0.010 0.000 1.337 445 F HN 0.331 nan 8.300 nan 0.000 0.474 446 E N 0.029 120.326 120.200 0.161 0.000 2.042 446 E HA 0.077 4.419 4.350 -0.013 0.000 0.189 446 E C 0.030 176.699 176.600 0.114 0.000 0.974 446 E CA 1.248 57.680 56.400 0.053 0.000 0.806 446 E CB 0.301 30.035 29.700 0.058 0.000 0.769 446 E HN 0.737 nan 8.360 nan 0.000 0.451 447 T N -1.255 113.464 114.554 0.274 0.000 2.762 447 T HA 0.459 4.801 4.350 -0.013 0.000 0.301 447 T C -1.641 173.226 174.700 0.279 0.000 1.299 447 T CA -0.184 62.081 62.100 0.275 0.000 1.005 447 T CB 1.654 70.589 68.868 0.113 0.000 1.377 447 T HN 0.256 nan 8.240 nan 0.000 0.504 448 S N 0.152 115.953 115.700 0.167 0.000 2.615 448 S HA 0.634 5.096 4.470 -0.013 0.000 0.269 448 S C 0.297 174.866 174.600 -0.052 0.000 1.161 448 S CA -0.396 57.818 58.200 0.024 0.000 0.817 448 S CB 1.389 64.555 63.200 -0.058 0.000 1.131 448 S HN 0.494 nan 8.310 nan 0.000 0.467 449 S N -0.500 115.068 115.700 -0.220 0.000 2.510 449 S HA 0.454 4.916 4.470 -0.013 0.000 0.230 449 S C -0.846 173.217 174.600 -0.896 0.000 1.066 449 S CA 0.388 58.182 58.200 -0.677 0.000 0.941 449 S CB -0.239 62.350 63.200 -1.019 0.000 0.829 449 S HN 0.693 nan 8.310 nan 0.000 0.530 450 Y N -0.172 120.129 120.300 0.002 0.000 2.655 450 Y HA 0.621 5.163 4.550 -0.013 0.000 0.336 450 Y C -0.730 175.121 175.900 -0.081 0.000 1.154 450 Y CA -2.075 55.938 58.100 -0.145 0.000 1.055 450 Y CB 0.866 39.157 38.460 -0.283 0.000 1.295 450 Y HN 0.145 nan 8.280 nan 0.000 0.465 451 F N -1.092 118.860 119.950 0.003 0.000 2.650 451 F HA 0.908 5.427 4.527 -0.012 0.000 0.320 451 F C -1.689 174.127 175.800 0.028 0.000 1.091 451 F CA -2.009 55.932 58.000 -0.099 0.000 0.962 451 F CB 1.410 40.033 39.000 -0.627 0.000 1.363 451 F HN 0.275 nan 8.300 nan 0.000 0.482 452 I N 1.456 122.279 120.570 0.421 0.000 2.439 452 I HA 0.598 4.761 4.170 -0.013 0.000 0.285 452 I C -0.176 176.091 176.117 0.251 0.000 1.021 452 I CA -0.761 60.712 61.300 0.289 0.000 1.091 452 I CB 1.700 39.837 38.000 0.228 0.000 1.242 452 I HN 0.975 nan 8.210 nan 0.000 0.439 453 G N 5.294 114.175 108.800 0.135 0.000 2.452 453 G HA2 0.636 4.589 3.960 -0.013 0.000 0.324 453 G HA3 0.636 4.589 3.960 -0.013 0.000 0.324 453 G C -1.031 173.579 174.900 -0.483 0.000 1.214 453 G CA -0.427 44.317 45.100 -0.593 0.000 0.947 453 G HN 0.285 nan 8.290 nan 0.000 0.478 454 V N 2.485 122.132 119.914 -0.444 0.000 2.398 454 V HA 0.377 4.489 4.120 -0.013 0.000 0.286 454 V C -0.286 175.785 176.094 -0.038 0.000 1.026 454 V CA -0.756 61.461 62.300 -0.138 0.000 0.868 454 V CB 1.259 33.048 31.823 -0.057 0.000 0.982 454 V HN 0.648 nan 8.190 nan 0.000 0.443 455 L N 4.682 126.031 121.223 0.211 0.000 2.275 455 L HA 0.695 5.028 4.340 -0.013 0.000 0.288 455 L C -0.662 176.289 176.870 0.134 0.000 1.046 455 L CA 0.271 55.312 54.840 0.336 0.000 0.805 455 L CB 1.326 43.590 42.059 0.342 0.000 1.193 455 L HN 0.733 nan 8.230 nan 0.000 0.426 456 D N 5.109 125.568 120.400 0.099 0.000 2.593 456 D HA 0.607 5.240 4.640 -0.013 0.000 0.251 456 D C -1.384 174.909 176.300 -0.012 0.000 1.140 456 D CA -0.104 53.910 54.000 0.023 0.000 0.855 456 D CB 1.209 42.002 40.800 -0.012 0.000 1.267 456 D HN 0.622 nan 8.370 nan 0.000 0.532 457 I N 2.288 122.852 120.570 -0.009 0.000 2.753 457 I HA 0.534 4.696 4.170 -0.013 0.000 0.291 457 I C -0.825 175.303 176.117 0.018 0.000 1.425 457 I CA -0.759 60.534 61.300 -0.011 0.000 1.039 457 I CB 1.657 39.656 38.000 -0.001 0.000 1.349 457 I HN 0.587 nan 8.210 nan 0.000 0.430 458 A N 4.779 127.616 122.820 0.027 0.000 2.608 458 A HA 0.373 4.686 4.320 -0.013 0.000 0.239 458 A C 0.641 178.275 177.584 0.082 0.000 1.018 458 A CA 1.098 53.168 52.037 0.055 0.000 0.766 458 A CB -0.540 18.503 19.000 0.072 0.000 0.928 458 A HN 0.966 nan 8.150 nan 0.000 0.512 459 G N 0.581 109.437 108.800 0.093 0.000 2.547 459 G HA2 0.471 4.423 3.960 -0.013 0.000 0.291 459 G HA3 0.471 4.423 3.960 -0.013 0.000 0.291 459 G C -0.114 174.900 174.900 0.190 0.000 1.211 459 G CA -0.747 44.444 45.100 0.152 0.000 0.950 459 G HN 0.846 nan 8.290 nan 0.000 0.504 460 F N 0.854 120.889 119.950 0.141 0.000 2.629 460 F HA 0.281 4.801 4.527 -0.012 0.000 0.377 460 F C 0.772 176.598 175.800 0.044 0.000 1.101 460 F CA 0.458 58.527 58.000 0.116 0.000 1.301 460 F CB 0.487 39.575 39.000 0.147 0.000 1.062 460 F HN 0.624 nan 8.300 nan 0.000 0.583 461 E N 5.465 125.252 120.200 -0.690 0.000 2.372 461 E HA 0.498 4.840 4.350 -0.013 0.000 0.279 461 E C -2.060 174.233 176.600 -0.511 0.000 0.946 461 E CA -0.991 55.118 56.400 -0.484 0.000 0.769 461 E CB 1.902 31.473 29.700 -0.215 0.000 1.230 461 E HN 0.607 nan 8.360 nan 0.000 0.442 462 Y N 0.198 120.162 120.300 -0.559 0.000 2.597 462 Y HA 0.796 5.338 4.550 -0.013 0.000 0.340 462 Y C -1.808 173.781 175.900 -0.518 0.000 1.097 462 Y CA -1.364 56.518 58.100 -0.364 0.000 1.037 462 Y CB 1.213 39.521 38.460 -0.252 0.000 1.305 462 Y HN 0.500 nan 8.280 nan 0.000 0.463 463 F N 0.165 120.147 119.950 0.053 0.000 2.691 463 F HA 0.427 4.946 4.527 -0.012 0.000 0.334 463 F C 1.499 177.350 175.800 0.084 0.000 1.107 463 F CA -1.056 56.949 58.000 0.008 0.000 0.991 463 F CB 1.679 40.685 39.000 0.010 0.000 1.400 463 F HN 0.750 nan 8.300 nan 0.000 0.503 464 E N -0.460 119.867 120.200 0.212 0.000 2.160 464 E HA -0.162 4.180 4.350 -0.013 0.000 0.195 464 E C -0.352 176.146 176.600 -0.171 0.000 0.991 464 E CA 1.173 57.562 56.400 -0.019 0.000 0.810 464 E CB 0.034 29.634 29.700 -0.168 0.000 0.742 464 E HN 0.364 nan 8.360 nan 0.000 0.466 465 H N 0.398 119.607 119.070 0.232 0.000 2.658 465 H HA 0.330 4.878 4.556 -0.012 0.000 0.337 465 H C -0.878 174.541 175.328 0.151 0.000 1.009 465 H CA -0.717 55.427 56.048 0.160 0.000 1.231 465 H CB 1.076 30.895 29.762 0.094 0.000 1.508 465 H HN 0.055 nan 8.280 nan 0.000 0.517 466 N N 1.496 120.337 118.700 0.236 0.000 2.392 466 N HA 0.219 4.951 4.740 -0.013 0.000 0.283 466 N C -0.106 175.623 175.510 0.365 0.000 1.003 466 N CA -0.206 52.994 53.050 0.250 0.000 0.892 466 N CB 2.912 41.445 38.487 0.077 0.000 1.193 466 N HN 0.428 nan 8.380 nan 0.000 0.487 467 S N 0.595 116.519 115.700 0.373 0.000 2.786 467 S HA 0.384 4.847 4.470 -0.013 0.000 0.302 467 S C 0.845 175.692 174.600 0.410 0.000 1.080 467 S CA -0.516 57.947 58.200 0.439 0.000 0.925 467 S CB 0.381 63.728 63.200 0.244 0.000 1.325 467 S HN 0.409 nan 8.310 nan 0.000 0.576 468 F N 1.894 121.764 119.950 -0.133 0.000 2.202 468 F HA -0.015 4.504 4.527 -0.012 0.000 0.301 468 F C 1.922 177.621 175.800 -0.169 0.000 1.082 468 F CA 2.060 59.712 58.000 -0.580 0.000 1.313 468 F CB -0.468 38.036 39.000 -0.826 0.000 1.024 468 F HN 0.599 nan 8.300 nan 0.000 0.495 469 E N 0.006 120.188 120.200 -0.029 0.000 2.058 469 E HA -0.252 4.090 4.350 -0.013 0.000 0.194 469 E C 2.090 178.666 176.600 -0.039 0.000 0.997 469 E CA 1.727 58.084 56.400 -0.072 0.000 0.801 469 E CB -0.421 29.274 29.700 -0.009 0.000 0.746 469 E HN 0.392 nan 8.360 nan 0.000 0.450 470 Q N -0.578 119.294 119.800 0.119 0.000 2.119 470 Q HA -0.067 4.265 4.340 -0.013 0.000 0.201 470 Q C 1.862 178.016 176.000 0.256 0.000 0.972 470 Q CA 0.950 56.883 55.803 0.217 0.000 0.847 470 Q CB -0.406 28.541 28.738 0.348 0.000 0.903 470 Q HN 0.295 nan 8.270 nan 0.000 0.433 471 F N 0.114 120.121 119.950 0.095 0.000 2.065 471 F HA -0.325 4.195 4.527 -0.013 0.000 0.298 471 F C 1.883 177.526 175.800 -0.262 0.000 1.112 471 F CA 1.485 59.370 58.000 -0.191 0.000 1.212 471 F CB -0.450 38.283 39.000 -0.444 0.000 0.975 471 F HN 0.089 nan 8.300 nan 0.000 0.476 472 C N 0.391 119.406 119.300 -0.475 0.000 2.453 472 C HA -0.124 4.328 4.460 -0.013 0.000 0.277 472 C C 2.824 177.592 174.990 -0.370 0.000 1.262 472 C CA 0.927 59.470 59.018 -0.792 0.000 1.718 472 C CB -1.272 25.605 27.740 -1.438 0.000 2.031 472 C HN 0.519 nan 8.230 nan 0.000 0.480 473 I N 1.634 122.108 120.570 -0.161 0.000 2.163 473 I HA -0.216 3.946 4.170 -0.013 0.000 0.243 473 I C 2.101 178.253 176.117 0.057 0.000 1.085 473 I CA 1.513 62.840 61.300 0.044 0.000 1.347 473 I CB -0.527 37.501 38.000 0.047 0.000 1.044 473 I HN 0.414 nan 8.210 nan 0.000 0.408 474 N N -0.036 118.655 118.700 -0.015 0.000 2.309 474 N HA -0.211 4.522 4.740 -0.013 0.000 0.182 474 N C 1.711 177.268 175.510 0.077 0.000 1.018 474 N CA 0.975 54.010 53.050 -0.025 0.000 0.876 474 N CB -0.387 37.923 38.487 -0.294 0.000 0.972 474 N HN 0.422 nan 8.380 nan 0.000 0.434 475 Y N 1.114 121.344 120.300 -0.116 0.000 2.263 475 Y HA -0.114 4.428 4.550 -0.013 0.000 0.292 475 Y C 2.512 178.477 175.900 0.108 0.000 1.130 475 Y CA 0.572 58.639 58.100 -0.056 0.000 1.179 475 Y CB -0.907 37.385 38.460 -0.279 0.000 0.998 475 Y HN 0.142 nan 8.280 nan 0.000 0.532 476 C N 1.600 120.880 119.300 -0.033 0.000 2.432 476 C HA -0.178 4.274 4.460 -0.013 0.000 0.277 476 C C 2.547 177.514 174.990 -0.040 0.000 1.249 476 C CA 1.904 60.867 59.018 -0.090 0.000 1.725 476 C CB -1.483 26.326 27.740 0.116 0.000 2.028 476 C HN 0.682 nan 8.230 nan 0.000 0.477 477 N N 0.420 119.178 118.700 0.097 0.000 2.309 477 N HA -0.145 4.587 4.740 -0.013 0.000 0.182 477 N C 1.667 177.203 175.510 0.044 0.000 1.018 477 N CA 1.333 54.465 53.050 0.138 0.000 0.876 477 N CB -0.424 38.283 38.487 0.368 0.000 0.972 477 N HN 0.667 nan 8.380 nan 0.000 0.434 478 E N 1.727 122.039 120.200 0.187 0.000 2.077 478 E HA -0.095 4.247 4.350 -0.013 0.000 0.193 478 E C 1.621 178.247 176.600 0.043 0.000 0.989 478 E CA 1.317 57.830 56.400 0.187 0.000 0.800 478 E CB 0.142 30.086 29.700 0.407 0.000 0.746 478 E HN 0.245 nan 8.360 nan 0.000 0.452 479 K N -0.286 120.116 120.400 0.004 0.000 2.103 479 K HA -0.013 4.299 4.320 -0.013 0.000 0.204 479 K C 2.198 178.797 176.600 -0.001 0.000 1.052 479 K CA 0.890 57.170 56.287 -0.012 0.000 0.945 479 K CB -0.075 32.361 32.500 -0.107 0.000 0.722 479 K HN 0.196 nan 8.250 nan 0.000 0.443 480 L N 0.906 122.105 121.223 -0.039 0.000 2.093 480 L HA -0.204 4.128 4.340 -0.013 0.000 0.208 480 L C 2.689 179.607 176.870 0.079 0.000 1.085 480 L CA 1.033 55.888 54.840 0.025 0.000 0.755 480 L CB -0.325 41.725 42.059 -0.014 0.000 0.904 480 L HN 0.166 nan 8.230 nan 0.000 0.435 481 Q N 0.402 120.125 119.800 -0.129 0.000 2.079 481 Q HA -0.259 4.073 4.340 -0.013 0.000 0.200 481 Q C 2.150 178.131 176.000 -0.032 0.000 0.974 481 Q CA 1.766 57.436 55.803 -0.222 0.000 0.840 481 Q CB -0.235 27.951 28.738 -0.919 0.000 0.898 481 Q HN 0.427 nan 8.270 nan 0.000 0.430 482 Q N -1.122 118.689 119.800 0.020 0.000 2.112 482 Q HA -0.222 4.111 4.340 -0.013 0.000 0.206 482 Q C 1.873 177.960 176.000 0.146 0.000 0.987 482 Q CA 1.805 57.671 55.803 0.105 0.000 0.858 482 Q CB -0.390 28.425 28.738 0.128 0.000 0.905 482 Q HN 0.500 nan 8.270 nan 0.000 0.420 483 F N 0.432 120.410 119.950 0.046 0.000 2.102 483 F HA -0.231 4.288 4.527 -0.012 0.000 0.298 483 F C 1.895 177.787 175.800 0.154 0.000 1.105 483 F CA 1.355 59.410 58.000 0.091 0.000 1.239 483 F CB -0.580 38.473 39.000 0.088 0.000 0.991 483 F HN 0.221 nan 8.300 nan 0.000 0.474 484 F N 1.855 121.746 119.950 -0.099 0.000 2.065 484 F HA -0.283 4.236 4.527 -0.013 0.000 0.298 484 F C 2.129 177.620 175.800 -0.516 0.000 1.112 484 F CA 2.263 59.965 58.000 -0.496 0.000 1.212 484 F CB -1.486 37.247 39.000 -0.445 0.000 0.975 484 F HN 0.107 nan 8.300 nan 0.000 0.476 485 N N -0.021 118.464 118.700 -0.359 0.000 2.069 485 N HA -0.219 4.514 4.740 -0.013 0.000 0.191 485 N C 1.708 176.912 175.510 -0.509 0.000 1.031 485 N CA 1.526 54.272 53.050 -0.507 0.000 0.852 485 N CB -0.309 38.003 38.487 -0.291 0.000 1.018 485 N HN 0.431 nan 8.380 nan 0.000 0.423 486 E N 0.409 120.428 120.200 -0.301 0.000 2.085 486 E HA -0.131 4.212 4.350 -0.013 0.000 0.194 486 E C 1.938 178.369 176.600 -0.281 0.000 0.994 486 E CA 0.837 57.094 56.400 -0.239 0.000 0.801 486 E CB 0.150 29.790 29.700 -0.100 0.000 0.743 486 E HN 0.238 nan 8.360 nan 0.000 0.453 487 R N 0.203 120.503 120.500 -0.333 0.000 2.119 487 R HA -0.016 4.317 4.340 -0.013 0.000 0.222 487 R C 2.155 178.351 176.300 -0.173 0.000 1.088 487 R CA 0.551 56.507 56.100 -0.240 0.000 0.984 487 R CB -0.291 29.880 30.300 -0.216 0.000 0.884 487 R HN 0.219 nan 8.270 nan 0.000 0.447 488 I N 0.864 121.267 120.570 -0.278 0.000 2.202 488 I HA -0.198 3.965 4.170 -0.013 0.000 0.242 488 I C 2.365 178.314 176.117 -0.280 0.000 1.091 488 I CA 0.676 61.808 61.300 -0.280 0.000 1.368 488 I CB -1.245 36.492 38.000 -0.439 0.000 1.058 488 I HN 0.058 nan 8.210 nan 0.000 0.410 489 L N 1.273 122.282 121.223 -0.356 0.000 2.013 489 L HA -0.250 4.082 4.340 -0.013 0.000 0.212 489 L C 2.610 179.347 176.870 -0.222 0.000 1.073 489 L CA 2.076 56.729 54.840 -0.311 0.000 0.753 489 L CB -0.738 41.081 42.059 -0.400 0.000 0.890 489 L HN 0.172 nan 8.230 nan 0.000 0.432 490 K N -0.728 119.555 120.400 -0.195 0.000 2.032 490 K HA -0.260 4.052 4.320 -0.013 0.000 0.209 490 K C 2.185 178.686 176.600 -0.165 0.000 1.048 490 K CA 1.741 57.938 56.287 -0.150 0.000 0.927 490 K CB -0.355 32.072 32.500 -0.123 0.000 0.712 490 K HN 0.496 nan 8.250 nan 0.000 0.441 491 E N 0.990 121.094 120.200 -0.160 0.000 2.058 491 E HA -0.233 4.109 4.350 -0.013 0.000 0.194 491 E C 1.682 178.130 176.600 -0.253 0.000 0.997 491 E CA 1.418 57.724 56.400 -0.157 0.000 0.801 491 E CB 0.016 29.657 29.700 -0.099 0.000 0.746 491 E HN 0.302 nan 8.360 nan 0.000 0.450 492 E N 0.698 120.706 120.200 -0.320 0.000 2.058 492 E HA -0.207 4.135 4.350 -0.013 0.000 0.194 492 E C 2.241 178.248 176.600 -0.989 0.000 0.997 492 E CA 1.115 57.151 56.400 -0.608 0.000 0.801 492 E CB -0.351 29.099 29.700 -0.417 0.000 0.746 492 E HN 0.454 nan 8.360 nan 0.000 0.450 493 Q N 0.398 119.892 119.800 -0.509 0.000 2.084 493 Q HA -0.159 4.174 4.340 -0.013 0.000 0.202 493 Q C 2.065 177.915 176.000 -0.250 0.000 0.978 493 Q CA 1.392 57.012 55.803 -0.306 0.000 0.844 493 Q CB -0.054 28.614 28.738 -0.117 0.000 0.898 493 Q HN 0.354 nan 8.270 nan 0.000 0.426 494 E N 0.082 120.146 120.200 -0.228 0.000 2.152 494 E HA -0.155 4.187 4.350 -0.013 0.000 0.192 494 E C 1.852 178.353 176.600 -0.165 0.000 0.983 494 E CA 0.394 56.701 56.400 -0.155 0.000 0.818 494 E CB 0.011 29.638 29.700 -0.121 0.000 0.758 494 E HN 0.168 nan 8.360 nan 0.000 0.467 495 L N 0.512 121.587 121.223 -0.248 0.000 1.994 495 L HA -0.206 4.126 4.340 -0.013 0.000 0.208 495 L C 1.898 178.678 176.870 -0.151 0.000 1.071 495 L CA 1.801 56.532 54.840 -0.181 0.000 0.745 495 L CB -0.658 41.302 42.059 -0.165 0.000 0.892 495 L HN 0.077 nan 8.230 nan 0.000 0.431 496 Y N 0.153 120.323 120.300 -0.217 0.000 2.165 496 Y HA -0.234 4.308 4.550 -0.013 0.000 0.286 496 Y C 2.788 178.537 175.900 -0.251 0.000 1.155 496 Y CA 1.425 59.318 58.100 -0.345 0.000 1.164 496 Y CB -1.350 36.975 38.460 -0.225 0.000 0.978 496 Y HN 0.390 nan 8.280 nan 0.000 0.513 497 Q N 0.141 119.932 119.800 -0.016 0.000 2.050 497 Q HA -0.205 4.128 4.340 -0.013 0.000 0.202 497 Q C 2.305 178.271 176.000 -0.057 0.000 0.980 497 Q CA 1.515 57.295 55.803 -0.039 0.000 0.840 497 Q CB -0.211 28.503 28.738 -0.038 0.000 0.898 497 Q HN 0.392 nan 8.270 nan 0.000 0.424 498 K N 0.422 120.783 120.400 -0.064 0.000 2.281 498 K HA -0.160 4.152 4.320 -0.013 0.000 0.203 498 K C 1.121 177.691 176.600 -0.049 0.000 1.046 498 K CA 0.945 57.201 56.287 -0.052 0.000 0.938 498 K CB 0.276 32.746 32.500 -0.049 0.000 0.737 498 K HN 0.121 nan 8.250 nan 0.000 0.458 499 E N -1.097 119.051 120.200 -0.085 0.000 2.481 499 E HA 0.049 4.391 4.350 -0.013 0.000 0.198 499 E C 0.604 177.146 176.600 -0.098 0.000 1.027 499 E CA 0.573 56.919 56.400 -0.090 0.000 0.900 499 E CB 1.157 30.748 29.700 -0.183 0.000 0.993 499 E HN 0.518 nan 8.360 nan 0.000 0.482 500 G N 1.645 110.388 108.800 -0.095 0.000 2.141 500 G HA2 -0.253 3.700 3.960 -0.013 0.000 0.242 500 G HA3 -0.253 3.700 3.960 -0.013 0.000 0.242 500 G C 0.394 175.228 174.900 -0.110 0.000 0.982 500 G CA 0.381 45.435 45.100 -0.077 0.000 0.662 500 G HN 0.157 nan 8.290 nan 0.000 0.527 505 E N 2.492 122.746 120.200 0.090 0.000 2.134 505 E HA 0.306 4.648 4.350 -0.013 0.000 0.278 505 E C -0.735 175.911 176.600 0.077 0.000 0.959 505 E CA -0.578 55.866 56.400 0.074 0.000 0.783 505 E CB 1.363 31.086 29.700 0.037 0.000 1.095 505 E HN 0.376 nan 8.360 nan 0.000 0.399 506 V N 5.709 125.680 119.914 0.095 0.000 2.529 506 V HA -0.071 4.041 4.120 -0.013 0.000 0.292 506 V C 0.780 176.945 176.094 0.118 0.000 1.028 506 V CA -0.004 62.355 62.300 0.098 0.000 1.074 506 V CB 0.365 32.236 31.823 0.080 0.000 0.958 506 V HN 0.582 nan 8.190 nan 0.000 0.481 507 H N 6.105 125.198 119.070 0.038 0.000 2.955 507 H HA 0.206 4.754 4.556 -0.013 0.000 0.290 507 H C -0.974 174.434 175.328 0.134 0.000 1.047 507 H CA 0.112 56.193 56.048 0.054 0.000 1.484 507 H CB 0.164 29.932 29.762 0.010 0.000 1.501 507 H HN 0.695 nan 8.280 nan 0.000 0.521 508 Y N 4.548 124.812 120.300 -0.060 0.000 2.390 508 Y HA 0.303 4.845 4.550 -0.013 0.000 0.324 508 Y C -2.132 173.730 175.900 -0.063 0.000 1.151 508 Y CA -0.891 57.222 58.100 0.022 0.000 1.053 508 Y CB 0.501 38.957 38.460 -0.007 0.000 1.277 508 Y HN 0.325 nan 8.280 nan 0.000 0.432 509 V N 7.299 126.993 119.914 -0.367 0.000 2.364 509 V HA 0.373 4.485 4.120 -0.013 0.000 0.272 509 V C -0.550 175.128 176.094 -0.693 0.000 1.036 509 V CA -0.094 61.919 62.300 -0.478 0.000 0.880 509 V CB 0.423 32.123 31.823 -0.205 0.000 0.991 509 V HN 0.922 nan 8.190 nan 0.000 0.460 510 D N 5.304 125.218 120.400 -0.810 0.000 2.451 510 D HA 0.115 4.748 4.640 -0.013 0.000 0.259 510 D C 0.457 176.684 176.300 -0.121 0.000 1.201 510 D CA -0.563 53.147 54.000 -0.483 0.000 1.028 510 D CB 0.562 41.195 40.800 -0.278 0.000 1.095 510 D HN 0.563 nan 8.370 nan 0.000 0.539 511 N N -0.328 118.391 118.700 0.031 0.000 2.389 511 N HA -0.075 4.657 4.740 -0.013 0.000 0.237 511 N C 0.970 176.549 175.510 0.114 0.000 1.148 511 N CA -0.152 52.965 53.050 0.111 0.000 0.854 511 N CB 0.440 39.036 38.487 0.182 0.000 1.115 511 N HN 0.349 nan 8.380 nan 0.000 0.492 512 Q N 1.664 121.503 119.800 0.065 0.000 2.181 512 Q HA -0.189 4.143 4.340 -0.013 0.000 0.205 512 Q C 0.986 177.052 176.000 0.110 0.000 0.980 512 Q CA 1.933 57.785 55.803 0.081 0.000 0.862 512 Q CB -0.198 28.567 28.738 0.044 0.000 0.905 512 Q HN 0.570 nan 8.270 nan 0.000 0.429 513 D N -1.203 119.267 120.400 0.115 0.000 2.178 513 D HA -0.141 4.492 4.640 -0.013 0.000 0.202 513 D C 1.865 178.309 176.300 0.241 0.000 0.974 513 D CA 1.043 55.151 54.000 0.180 0.000 0.841 513 D CB -1.152 39.739 40.800 0.152 0.000 0.953 513 D HN 0.353 nan 8.370 nan 0.000 0.478 514 C N 0.103 119.527 119.300 0.207 0.000 2.475 514 C HA 0.157 4.610 4.460 -0.013 0.000 0.279 514 C C 2.777 177.843 174.990 0.127 0.000 1.322 514 C CA -0.062 59.053 59.018 0.161 0.000 1.734 514 C CB -1.304 26.547 27.740 0.186 0.000 2.005 514 C HN 0.299 nan 8.230 nan 0.000 0.495 515 I N 1.023 121.693 120.570 0.168 0.000 2.226 515 I HA -0.153 4.009 4.170 -0.013 0.000 0.245 515 I C 2.125 178.318 176.117 0.125 0.000 1.100 515 I CA 1.746 63.158 61.300 0.188 0.000 1.374 515 I CB -0.509 37.611 38.000 0.201 0.000 1.057 515 I HN 0.311 nan 8.210 nan 0.000 0.413 516 D N 0.584 121.054 120.400 0.116 0.000 2.144 516 D HA -0.145 4.487 4.640 -0.013 0.000 0.200 516 D C 2.026 178.358 176.300 0.053 0.000 0.978 516 D CA 0.910 54.972 54.000 0.104 0.000 0.833 516 D CB -0.282 40.599 40.800 0.135 0.000 0.961 516 D HN 0.166 nan 8.370 nan 0.000 0.470 517 L N 0.732 121.939 121.223 -0.027 0.000 2.081 517 L HA -0.158 4.174 4.340 -0.013 0.000 0.212 517 L C 1.959 178.679 176.870 -0.250 0.000 1.080 517 L CA 1.523 56.184 54.840 -0.299 0.000 0.754 517 L CB -0.365 41.395 42.059 -0.499 0.000 0.893 517 L HN 0.004 nan 8.230 nan 0.000 0.433 518 I N -0.631 119.854 120.570 -0.142 0.000 2.339 518 I HA -0.161 4.001 4.170 -0.013 0.000 0.245 518 I C 2.063 178.106 176.117 -0.123 0.000 1.096 518 I CA 1.451 62.657 61.300 -0.156 0.000 1.408 518 I CB -0.163 37.637 38.000 -0.333 0.000 1.092 518 I HN 0.442 nan 8.210 nan 0.000 0.423 519 E N 1.173 121.336 120.200 -0.061 0.000 2.562 519 E HA 0.329 4.671 4.350 -0.013 0.000 0.214 519 E C 0.658 177.295 176.600 0.061 0.000 0.979 519 E CA -0.299 56.103 56.400 0.003 0.000 1.002 519 E CB 0.278 30.028 29.700 0.083 0.000 1.048 519 E HN 0.199 nan 8.360 nan 0.000 0.488 520 A N 2.236 125.097 122.820 0.068 0.000 2.531 520 A HA 0.036 4.348 4.320 -0.013 0.000 0.236 520 A C 0.357 177.987 177.584 0.077 0.000 1.062 520 A CA -0.184 51.903 52.037 0.084 0.000 0.760 520 A CB 0.120 19.185 19.000 0.108 0.000 0.995 520 A HN 0.399 nan 8.150 nan 0.000 0.501 521 R N 1.783 122.324 120.500 0.068 0.000 2.570 521 R HA 0.266 4.598 4.340 -0.013 0.000 0.277 521 R C 0.421 176.755 176.300 0.056 0.000 1.039 521 R CA 0.568 56.703 56.100 0.057 0.000 1.065 521 R CB -0.243 30.087 30.300 0.049 0.000 0.964 521 R HN 0.917 nan 8.270 nan 0.000 0.428 522 L N 1.804 123.059 121.223 0.054 0.000 3.417 522 L HA -0.420 3.912 4.340 -0.013 0.000 0.368 522 L C 1.420 178.325 176.870 0.058 0.000 0.810 522 L CA 1.724 56.594 54.840 0.050 0.000 3.108 522 L CB -1.473 40.609 42.059 0.038 0.000 0.687 522 L HN 0.689 nan 8.230 nan 0.000 0.756 523 V N -3.143 116.809 119.914 0.064 0.000 3.643 523 V HA 0.473 4.585 4.120 -0.013 0.000 0.280 523 V C 1.271 177.483 176.094 0.196 0.000 1.351 523 V CA 0.519 62.860 62.300 0.069 0.000 1.073 523 V CB 0.054 31.865 31.823 -0.020 0.000 0.863 523 V HN 0.365 nan 8.190 nan 0.000 0.436 524 G N 0.138 109.027 108.800 0.149 0.000 2.594 524 G HA2 0.356 4.309 3.960 -0.013 0.000 0.243 524 G HA3 0.356 4.309 3.960 -0.013 0.000 0.243 524 G C 0.734 175.692 174.900 0.096 0.000 1.229 524 G CA -0.159 45.008 45.100 0.111 0.000 0.843 524 G HN 0.246 nan 8.290 nan 0.000 0.578 525 I N 0.600 121.180 120.570 0.016 0.000 2.208 525 I HA -0.212 3.951 4.170 -0.013 0.000 0.245 525 I C 2.625 178.867 176.117 0.208 0.000 1.097 525 I CA 0.956 62.305 61.300 0.081 0.000 1.363 525 I CB -0.175 37.836 38.000 0.019 0.000 1.051 525 I HN 0.436 nan 8.210 nan 0.000 0.413 526 L N 0.068 121.383 121.223 0.153 0.000 2.046 526 L HA -0.249 4.083 4.340 -0.013 0.000 0.208 526 L C 1.997 178.933 176.870 0.110 0.000 1.077 526 L CA 1.347 56.273 54.840 0.144 0.000 0.747 526 L CB -0.641 41.482 42.059 0.107 0.000 0.896 526 L HN 0.237 nan 8.230 nan 0.000 0.432 527 D N -0.097 120.365 120.400 0.103 0.000 2.194 527 D HA -0.049 4.583 4.640 -0.013 0.000 0.204 527 D C 2.268 178.633 176.300 0.108 0.000 0.964 527 D CA 0.876 54.928 54.000 0.085 0.000 0.846 527 D CB 0.048 40.892 40.800 0.073 0.000 0.962 527 D HN 0.256 nan 8.370 nan 0.000 0.490 528 I N 0.219 120.884 120.570 0.158 0.000 2.394 528 I HA -0.195 3.967 4.170 -0.013 0.000 0.251 528 I C 2.093 178.374 176.117 0.274 0.000 1.136 528 I CA 0.383 61.810 61.300 0.213 0.000 1.425 528 I CB -0.009 38.124 38.000 0.222 0.000 1.079 528 I HN 0.041 nan 8.210 nan 0.000 0.425 529 L N 0.879 122.218 121.223 0.192 0.000 2.072 529 L HA -0.174 4.158 4.340 -0.013 0.000 0.205 529 L C 1.881 178.695 176.870 -0.093 0.000 1.079 529 L CA 1.976 56.720 54.840 -0.160 0.000 0.752 529 L CB -0.739 41.090 42.059 -0.385 0.000 0.906 529 L HN 0.113 nan 8.230 nan 0.000 0.436 530 D N -0.239 120.151 120.400 -0.016 0.000 2.116 530 D HA -0.264 4.369 4.640 -0.013 0.000 0.193 530 D C 2.059 178.377 176.300 0.031 0.000 0.998 530 D CA 1.568 55.567 54.000 -0.002 0.000 0.836 530 D CB -0.116 40.689 40.800 0.010 0.000 0.951 530 D HN 0.529 nan 8.370 nan 0.000 0.449 531 E N 0.215 120.453 120.200 0.065 0.000 2.097 531 E HA -0.278 4.065 4.350 -0.013 0.000 0.196 531 E C 1.824 178.483 176.600 0.099 0.000 1.000 531 E CA 1.343 57.798 56.400 0.091 0.000 0.804 531 E CB 0.076 29.844 29.700 0.114 0.000 0.740 531 E HN 0.085 nan 8.360 nan 0.000 0.454 532 E N 0.672 120.936 120.200 0.107 0.000 2.072 532 E HA -0.164 4.178 4.350 -0.013 0.000 0.191 532 E C 1.617 178.243 176.600 0.044 0.000 0.985 532 E CA 1.818 58.287 56.400 0.116 0.000 0.801 532 E CB -0.200 29.581 29.700 0.134 0.000 0.750 532 E HN 0.295 nan 8.360 nan 0.000 0.452 533 N N -0.218 118.482 118.700 0.000 0.000 2.205 533 N HA -0.126 4.607 4.740 -0.013 0.000 0.186 533 N C 1.315 176.842 175.510 0.028 0.000 1.015 533 N CA 1.162 54.208 53.050 -0.006 0.000 0.862 533 N CB -0.035 38.439 38.487 -0.022 0.000 0.986 533 N HN 0.089 nan 8.380 nan 0.000 0.429 534 R N -0.046 120.484 120.500 0.050 0.000 2.313 534 R HA 0.164 4.496 4.340 -0.013 0.000 0.199 534 R C -0.078 176.249 176.300 0.045 0.000 0.958 534 R CA 0.095 56.233 56.100 0.065 0.000 1.047 534 R CB 0.080 30.435 30.300 0.092 0.000 0.955 534 R HN 0.211 nan 8.270 nan 0.000 0.481 535 L N 0.840 122.083 121.223 0.033 0.000 2.399 535 L HA 0.188 4.521 4.340 -0.013 0.000 0.266 535 L C -1.349 175.517 176.870 -0.006 0.000 1.114 535 L CA -2.028 52.818 54.840 0.010 0.000 0.804 535 L CB 0.821 42.877 42.059 -0.006 0.000 1.146 535 L HN -0.228 nan 8.230 nan 0.000 0.451 536 P HA -0.173 nan 4.420 nan 0.000 0.216 536 P C -0.381 176.905 177.300 -0.022 0.000 1.157 536 P CA 1.481 64.569 63.100 -0.019 0.000 0.880 536 P CB 0.207 31.892 31.700 -0.025 0.000 0.791 537 Q N -0.970 118.811 119.800 -0.033 0.000 2.798 537 Q HA 0.312 4.645 4.340 -0.013 0.000 0.250 537 Q C -2.491 173.494 176.000 -0.024 0.000 1.006 537 Q CA -1.938 53.849 55.803 -0.027 0.000 0.759 537 Q CB 0.744 29.465 28.738 -0.029 0.000 1.201 537 Q HN 0.144 nan 8.270 nan 0.000 0.486 538 P HA -0.077 nan 4.420 nan 0.000 0.263 538 P C -0.578 176.737 177.300 0.025 0.000 1.175 538 P CA 0.376 63.482 63.100 0.009 0.000 0.761 538 P CB 0.791 32.489 31.700 -0.002 0.000 0.794 539 S N 1.535 117.279 115.700 0.075 0.000 2.571 539 S HA 0.238 4.700 4.470 -0.013 0.000 0.284 539 S C 0.649 175.347 174.600 0.164 0.000 1.128 539 S CA -0.701 57.559 58.200 0.100 0.000 0.970 539 S CB 0.792 64.056 63.200 0.107 0.000 1.039 539 S HN 0.235 nan 8.310 nan 0.000 0.485 540 D N 3.318 123.793 120.400 0.125 0.000 2.123 540 D HA -0.108 4.524 4.640 -0.013 0.000 0.196 540 D C 1.626 178.040 176.300 0.190 0.000 0.992 540 D CA 1.682 55.785 54.000 0.173 0.000 0.833 540 D CB 0.057 40.912 40.800 0.091 0.000 0.954 540 D HN 0.634 nan 8.370 nan 0.000 0.455 541 Q N -0.380 119.492 119.800 0.119 0.000 2.050 541 Q HA -0.128 4.204 4.340 -0.013 0.000 0.202 541 Q C 2.126 178.187 176.000 0.102 0.000 0.980 541 Q CA 1.023 56.875 55.803 0.083 0.000 0.840 541 Q CB -0.525 28.252 28.738 0.066 0.000 0.898 541 Q HN 0.503 nan 8.270 nan 0.000 0.424 542 H N -0.453 118.657 119.070 0.066 0.000 2.387 542 H HA -0.178 4.370 4.556 -0.013 0.000 0.299 542 H C 1.854 177.235 175.328 0.089 0.000 1.099 542 H CA 1.648 57.736 56.048 0.066 0.000 1.315 542 H CB -0.111 29.692 29.762 0.068 0.000 1.380 542 H HN 0.361 nan 8.280 nan 0.000 0.513 543 F N 1.707 121.671 119.950 0.023 0.000 2.075 543 F HA -0.177 4.343 4.527 -0.012 0.000 0.297 543 F C 2.374 178.131 175.800 -0.071 0.000 1.113 543 F CA 2.071 60.053 58.000 -0.029 0.000 1.218 543 F CB -0.879 38.128 39.000 0.012 0.000 0.984 543 F HN -0.002 nan 8.300 nan 0.000 0.472 544 T N -0.129 114.121 114.554 -0.507 0.000 2.720 544 T HA -0.187 4.155 4.350 -0.013 0.000 0.268 544 T C 2.167 176.659 174.700 -0.347 0.000 1.037 544 T CA 1.832 63.579 62.100 -0.588 0.000 1.144 544 T CB -0.622 68.094 68.868 -0.253 0.000 0.864 544 T HN 0.307 nan 8.240 nan 0.000 0.444 545 S N 1.167 116.764 115.700 -0.171 0.000 2.402 545 S HA 0.030 4.492 4.470 -0.013 0.000 0.229 545 S C 2.551 177.058 174.600 -0.155 0.000 1.021 545 S CA 0.801 58.958 58.200 -0.072 0.000 0.974 545 S CB -0.467 62.694 63.200 -0.065 0.000 0.800 545 S HN 0.591 nan 8.310 nan 0.000 0.484 546 A N 1.137 123.786 122.820 -0.286 0.000 1.933 546 A HA -0.039 4.273 4.320 -0.013 0.000 0.218 546 A C 2.306 179.778 177.584 -0.186 0.000 1.175 546 A CA 1.366 53.260 52.037 -0.237 0.000 0.628 546 A CB -0.849 18.009 19.000 -0.237 0.000 0.814 546 A HN 0.340 nan 8.150 nan 0.000 0.444 547 V N -0.109 119.606 119.914 -0.332 0.000 2.295 547 V HA -0.271 3.841 4.120 -0.013 0.000 0.246 547 V C 2.474 178.451 176.094 -0.195 0.000 1.049 547 V CA 2.172 64.274 62.300 -0.331 0.000 1.024 547 V CB -1.038 30.381 31.823 -0.674 0.000 0.648 547 V HN 0.655 nan 8.190 nan 0.000 0.447 548 H N -0.022 118.991 119.070 -0.096 0.000 2.357 548 H HA -0.112 4.436 4.556 -0.013 0.000 0.301 548 H C 2.417 177.734 175.328 -0.018 0.000 1.082 548 H CA 1.703 57.728 56.048 -0.038 0.000 1.342 548 H CB -0.175 29.564 29.762 -0.039 0.000 1.389 548 H HN 0.543 nan 8.280 nan 0.000 0.511 549 Q N 0.561 120.400 119.800 0.065 0.000 2.224 549 Q HA -0.067 4.266 4.340 -0.013 0.000 0.203 549 Q C 1.694 177.679 176.000 -0.025 0.000 0.970 549 Q CA 0.852 56.664 55.803 0.016 0.000 0.865 549 Q CB 0.168 28.897 28.738 -0.014 0.000 0.922 549 Q HN 0.388 nan 8.270 nan 0.000 0.445 550 K N -0.442 119.919 120.400 -0.065 0.000 2.426 550 K HA 0.038 4.351 4.320 -0.013 0.000 0.193 550 K C 0.290 176.625 176.600 -0.442 0.000 1.028 550 K CA 0.385 56.541 56.287 -0.219 0.000 1.047 550 K CB 0.528 32.876 32.500 -0.253 0.000 0.821 550 K HN 0.225 nan 8.250 nan 0.000 0.513 551 H N -0.250 118.816 119.070 -0.007 0.000 2.676 551 H HA 0.145 4.693 4.556 -0.013 0.000 0.238 551 H C 0.613 175.999 175.328 0.096 0.000 1.276 551 H CA -0.380 55.696 56.048 0.045 0.000 0.983 551 H CB 0.858 30.572 29.762 -0.081 0.000 2.000 551 H HN -0.086 nan 8.280 nan 0.000 0.584 552 K N 1.487 121.956 120.400 0.114 0.000 1.987 552 K HA -0.188 4.124 4.320 -0.013 0.000 0.232 552 K C 0.375 177.045 176.600 0.117 0.000 1.034 552 K CA 1.768 58.111 56.287 0.093 0.000 1.013 552 K CB -0.100 32.428 32.500 0.046 0.000 0.736 552 K HN 0.339 nan 8.250 nan 0.000 0.446 553 D N 0.229 120.695 120.400 0.110 0.000 3.133 553 D HA 0.002 4.634 4.640 -0.013 0.000 0.288 553 D C -0.500 175.879 176.300 0.131 0.000 1.346 553 D CA -0.107 53.955 54.000 0.102 0.000 0.934 553 D CB -0.175 40.661 40.800 0.060 0.000 1.042 553 D HN 0.289 nan 8.370 nan 0.000 0.506 554 H N 0.746 119.881 119.070 0.107 0.000 2.690 554 H HA -0.023 4.525 4.556 -0.012 0.000 0.314 554 H C 0.847 176.260 175.328 0.141 0.000 1.069 554 H CA -0.259 55.870 56.048 0.134 0.000 1.436 554 H CB 0.860 30.702 29.762 0.134 0.000 1.462 554 H HN 0.126 nan 8.280 nan 0.000 0.511 555 F N 5.070 125.000 119.950 -0.032 0.000 2.147 555 F HA -0.242 4.278 4.527 -0.013 0.000 0.301 555 F C 1.846 177.737 175.800 0.152 0.000 1.084 555 F CA 1.635 59.658 58.000 0.037 0.000 1.268 555 F CB 0.275 39.251 39.000 -0.039 0.000 1.009 555 F HN 0.467 nan 8.300 nan 0.000 0.486 556 R N -0.560 120.168 120.500 0.380 0.000 2.265 556 R HA 0.195 4.527 4.340 -0.013 0.000 0.194 556 R C -0.175 176.113 176.300 -0.019 0.000 0.931 556 R CA 0.020 56.189 56.100 0.115 0.000 1.032 556 R CB -0.192 30.234 30.300 0.210 0.000 0.980 556 R HN 0.227 nan 8.270 nan 0.000 0.497 557 L N 1.100 122.333 121.223 0.017 0.000 2.329 557 L HA 0.347 4.679 4.340 -0.013 0.000 0.279 557 L C -0.374 176.530 176.870 0.056 0.000 1.014 557 L CA -0.255 54.561 54.840 -0.040 0.000 0.814 557 L CB 1.874 43.837 42.059 -0.160 0.000 1.257 557 L HN 0.083 nan 8.230 nan 0.000 0.424 558 S N 4.148 119.905 115.700 0.094 0.000 2.651 558 S HA 0.696 5.158 4.470 -0.013 0.000 0.279 558 S C -0.262 174.449 174.600 0.185 0.000 1.148 558 S CA -1.003 57.263 58.200 0.110 0.000 0.837 558 S CB 0.930 64.153 63.200 0.038 0.000 1.138 558 S HN 0.757 nan 8.310 nan 0.000 0.478 559 I N -1.571 119.021 120.570 0.037 0.000 2.720 559 I HA 0.407 4.569 4.170 -0.013 0.000 0.287 559 I C -2.084 174.047 176.117 0.024 0.000 1.090 559 I CA -2.349 58.924 61.300 -0.045 0.000 1.384 559 I CB 0.248 38.099 38.000 -0.248 0.000 1.420 559 I HN 0.319 nan 8.210 nan 0.000 0.575 560 P HA -0.157 nan 4.420 nan 0.000 0.219 560 P C 1.496 178.816 177.300 0.032 0.000 1.146 560 P CA 1.270 64.388 63.100 0.030 0.000 0.808 560 P CB -0.108 31.602 31.700 0.017 0.000 0.779 561 R N 0.733 121.236 120.500 0.005 0.000 2.193 561 R HA -0.095 4.238 4.340 -0.013 0.000 0.229 561 R C 1.162 177.467 176.300 0.008 0.000 1.110 561 R CA 1.248 57.350 56.100 0.004 0.000 0.988 561 R CB -0.179 30.111 30.300 -0.018 0.000 0.871 561 R HN 0.144 nan 8.270 nan 0.000 0.458 562 K N 0.204 120.608 120.400 0.007 0.000 2.446 562 K HA 0.093 4.405 4.320 -0.013 0.000 0.203 562 K C 0.142 176.751 176.600 0.016 0.000 1.027 562 K CA -0.214 56.076 56.287 0.006 0.000 1.166 562 K CB 0.790 33.288 32.500 -0.003 0.000 0.869 562 K HN -0.031 nan 8.250 nan 0.000 0.504 563 S N 1.109 116.831 115.700 0.037 0.000 2.568 563 S HA 0.039 4.502 4.470 -0.013 0.000 0.282 563 S C 0.712 175.333 174.600 0.036 0.000 1.338 563 S CA -0.120 58.116 58.200 0.060 0.000 1.045 563 S CB 0.639 63.928 63.200 0.148 0.000 0.873 563 S HN 0.154 nan 8.310 nan 0.000 0.516 564 K N 2.486 122.901 120.400 0.026 0.000 2.522 564 K HA 0.280 4.592 4.320 -0.013 0.000 0.194 564 K C -0.583 176.013 176.600 -0.007 0.000 1.026 564 K CA 0.388 56.677 56.287 0.004 0.000 1.119 564 K CB -0.180 32.315 32.500 -0.007 0.000 0.856 564 K HN 0.429 nan 8.250 nan 0.000 0.513 565 L N -0.940 120.281 121.223 -0.004 0.000 2.410 565 L HA 0.394 4.726 4.340 -0.013 0.000 0.270 565 L C 0.775 177.589 176.870 -0.094 0.000 0.983 565 L CA -0.730 54.064 54.840 -0.077 0.000 0.822 565 L CB 1.932 43.889 42.059 -0.171 0.000 1.285 565 L HN -0.130 nan 8.230 nan 0.000 0.409 566 A N 3.148 125.911 122.820 -0.095 0.000 2.067 566 A HA -0.009 4.303 4.320 -0.013 0.000 0.219 566 A C 1.780 179.311 177.584 -0.090 0.000 1.158 566 A CA 1.152 53.148 52.037 -0.068 0.000 0.661 566 A CB -0.420 18.549 19.000 -0.053 0.000 0.801 566 A HN 0.767 nan 8.150 nan 0.000 0.452 567 I N -1.073 119.382 120.570 -0.191 0.000 2.614 567 I HA -0.167 3.995 4.170 -0.013 0.000 0.258 567 I C 1.850 177.888 176.117 -0.131 0.000 1.189 567 I CA 0.846 62.020 61.300 -0.210 0.000 1.462 567 I CB -0.388 37.407 38.000 -0.341 0.000 1.092 567 I HN 0.350 nan 8.210 nan 0.000 0.442 568 H N 0.517 119.579 119.070 -0.013 0.000 2.582 568 H HA 0.177 4.725 4.556 -0.013 0.000 0.269 568 H C 1.839 177.166 175.328 -0.001 0.000 0.962 568 H CA 0.327 56.371 56.048 -0.006 0.000 1.230 568 H CB 0.075 29.828 29.762 -0.015 0.000 1.445 568 H HN 0.240 nan 8.280 nan 0.000 0.528 569 R N 0.796 121.352 120.500 0.093 0.000 2.339 569 R HA -0.014 4.319 4.340 -0.013 0.000 0.199 569 R C 0.828 177.150 176.300 0.037 0.000 1.018 569 R CA 0.374 56.505 56.100 0.052 0.000 1.036 569 R CB 0.154 30.468 30.300 0.025 0.000 0.899 569 R HN 0.161 nan 8.270 nan 0.000 0.473 570 N N -0.110 118.618 118.700 0.045 0.000 2.373 570 N HA 0.044 4.776 4.740 -0.013 0.000 0.181 570 N C 0.005 175.537 175.510 0.037 0.000 1.082 570 N CA 0.348 53.419 53.050 0.035 0.000 0.885 570 N CB 0.409 38.917 38.487 0.035 0.000 0.977 570 N HN 0.014 nan 8.380 nan 0.000 0.462 571 I N 2.092 122.693 120.570 0.051 0.000 2.556 571 I HA 0.040 4.202 4.170 -0.013 0.000 0.284 571 I C 0.927 177.052 176.117 0.014 0.000 1.114 571 I CA -0.101 61.221 61.300 0.038 0.000 1.418 571 I CB 0.202 38.227 38.000 0.043 0.000 1.394 571 I HN -0.074 nan 8.210 nan 0.000 0.552 572 R N 4.084 124.587 120.500 0.004 0.000 2.615 572 R HA 0.063 4.396 4.340 -0.013 0.000 0.270 572 R C 0.705 176.995 176.300 -0.017 0.000 1.081 572 R CA -0.610 55.486 56.100 -0.007 0.000 1.154 572 R CB 0.513 30.811 30.300 -0.004 0.000 1.063 572 R HN 0.460 nan 8.270 nan 0.000 0.519 573 D N 1.086 121.462 120.400 -0.041 0.000 2.190 573 D HA -0.181 4.451 4.640 -0.013 0.000 0.200 573 D C 0.941 177.246 176.300 0.009 0.000 0.992 573 D CA 1.606 55.555 54.000 -0.085 0.000 0.854 573 D CB -0.124 40.592 40.800 -0.141 0.000 0.936 573 D HN 0.599 nan 8.370 nan 0.000 0.462 574 D N -0.539 119.869 120.400 0.013 0.000 2.340 574 D HA -0.016 4.616 4.640 -0.013 0.000 0.217 574 D C 0.863 177.156 176.300 -0.012 0.000 1.081 574 D CA 0.150 54.165 54.000 0.025 0.000 0.842 574 D CB -0.318 40.494 40.800 0.019 0.000 0.934 574 D HN 0.186 nan 8.370 nan 0.000 0.511 575 E N -0.388 119.798 120.200 -0.023 0.000 2.489 575 E HA 0.368 4.711 4.350 -0.013 0.000 0.204 575 E C 0.596 177.116 176.600 -0.134 0.000 1.006 575 E CA -0.079 56.285 56.400 -0.059 0.000 0.936 575 E CB 1.033 30.717 29.700 -0.027 0.000 1.002 575 E HN 0.329 nan 8.360 nan 0.000 0.488 576 G N 0.932 109.651 108.800 -0.135 0.000 2.506 576 G HA2 0.454 4.407 3.960 -0.013 0.000 0.292 576 G HA3 0.454 4.407 3.960 -0.013 0.000 0.292 576 G C -1.799 173.041 174.900 -0.100 0.000 1.425 576 G CA -0.870 44.066 45.100 -0.273 0.000 0.788 576 G HN 0.069 nan 8.290 nan 0.000 0.490 577 F N -1.504 118.458 119.950 0.019 0.000 2.654 577 F HA 0.808 5.328 4.527 -0.013 0.000 0.308 577 F C -1.201 174.668 175.800 0.116 0.000 1.108 577 F CA -2.139 55.908 58.000 0.078 0.000 0.957 577 F CB 1.026 39.950 39.000 -0.126 0.000 1.309 577 F HN 0.457 nan 8.300 nan 0.000 0.446 578 I N 3.988 124.797 120.570 0.398 0.000 2.336 578 I HA 0.388 4.551 4.170 -0.013 0.000 0.292 578 I C -0.632 175.618 176.117 0.222 0.000 0.991 578 I CA -0.734 60.716 61.300 0.251 0.000 1.227 578 I CB 1.404 39.461 38.000 0.094 0.000 1.366 578 I HN 0.394 nan 8.210 nan 0.000 0.466 579 I N 6.376 127.092 120.570 0.242 0.000 2.354 579 I HA 0.323 4.485 4.170 -0.013 0.000 0.292 579 I C 0.248 176.302 176.117 -0.105 0.000 0.989 579 I CA -0.695 60.604 61.300 -0.002 0.000 1.188 579 I CB 1.400 39.326 38.000 -0.125 0.000 1.342 579 I HN 0.475 nan 8.210 nan 0.000 0.457 580 R N 5.668 126.094 120.500 -0.123 0.000 2.429 580 R HA 0.247 4.579 4.340 -0.013 0.000 0.302 580 R C -0.262 176.017 176.300 -0.036 0.000 1.268 580 R CA -0.331 55.715 56.100 -0.090 0.000 1.090 580 R CB -0.270 29.934 30.300 -0.161 0.000 1.102 580 R HN 0.564 nan 8.270 nan 0.000 0.522 581 H N 0.838 119.965 119.070 0.094 0.000 2.544 581 H HA -0.004 4.544 4.556 -0.013 0.000 0.365 581 H C 1.408 176.714 175.328 -0.037 0.000 1.268 581 H CA -0.451 55.669 56.048 0.120 0.000 1.400 581 H CB 0.588 30.483 29.762 0.221 0.000 1.538 581 H HN 0.499 nan 8.280 nan 0.000 0.597 582 F N -0.056 119.961 119.950 0.112 0.000 2.154 582 F HA -0.178 4.341 4.527 -0.013 0.000 0.301 582 F C 1.935 177.667 175.800 -0.113 0.000 1.087 582 F CA 1.179 59.185 58.000 0.010 0.000 1.274 582 F CB -0.818 38.194 39.000 0.020 0.000 1.009 582 F HN 0.364 nan 8.300 nan 0.000 0.485 583 A N 0.088 122.039 122.820 -1.449 0.000 2.218 583 A HA 0.584 4.896 4.320 -0.013 0.000 0.209 583 A C 1.239 178.470 177.584 -0.587 0.000 1.168 583 A CA 0.584 51.864 52.037 -1.262 0.000 0.804 583 A CB -0.997 16.635 19.000 -2.281 0.000 0.834 583 A HN 1.122 nan 8.150 nan 0.000 0.482 584 G N -2.340 106.244 108.800 -0.359 0.000 2.334 584 G HA2 0.513 4.465 3.960 -0.013 0.000 0.566 584 G HA3 0.513 4.465 3.960 -0.013 0.000 0.566 584 G C -0.340 174.539 174.900 -0.034 0.000 1.413 584 G CA -0.405 44.606 45.100 -0.148 0.000 0.993 584 G HN 1.302 nan 8.290 nan 0.000 0.642 585 A N -0.530 122.255 122.820 -0.058 0.000 2.488 585 A HA 0.612 4.924 4.320 -0.013 0.000 0.249 585 A C 0.409 177.960 177.584 -0.054 0.000 1.083 585 A CA 0.252 52.269 52.037 -0.033 0.000 0.768 585 A CB 0.527 19.493 19.000 -0.057 0.000 1.017 585 A HN 1.802 nan 8.150 nan 0.000 0.496 586 V N 2.641 122.574 119.914 0.032 0.000 2.487 586 V HA 0.293 4.405 4.120 -0.013 0.000 0.298 586 V C -0.028 175.925 176.094 -0.236 0.000 1.028 586 V CA -0.758 61.463 62.300 -0.132 0.000 0.860 586 V CB 1.399 33.174 31.823 -0.080 0.000 0.991 586 V HN 1.022 nan 8.190 nan 0.000 0.427 587 C N 6.804 125.883 119.300 -0.369 0.000 2.303 587 C HA 0.610 5.062 4.460 -0.013 0.000 0.341 587 C C -0.396 174.333 174.990 -0.434 0.000 1.244 587 C CA -0.554 58.229 59.018 -0.392 0.000 1.765 587 C CB -1.201 26.095 27.740 -0.740 0.000 2.379 587 C HN 0.746 nan 8.230 nan 0.000 0.530 588 Y N 3.924 124.184 120.300 -0.066 0.000 2.328 588 Y HA 0.397 4.939 4.550 -0.013 0.000 0.337 588 Y C 0.727 176.442 175.900 -0.308 0.000 1.008 588 Y CA -0.282 57.764 58.100 -0.089 0.000 1.129 588 Y CB 0.731 39.184 38.460 -0.013 0.000 1.185 588 Y HN 0.605 nan 8.280 nan 0.000 0.476 589 E N 1.067 121.257 120.200 -0.015 0.000 2.289 589 E HA 0.114 4.456 4.350 -0.013 0.000 0.278 589 E C 0.293 176.786 176.600 -0.179 0.000 1.032 589 E CA -0.080 56.271 56.400 -0.081 0.000 0.854 589 E CB 0.840 30.572 29.700 0.053 0.000 1.046 589 E HN 0.738 nan 8.360 nan 0.000 0.409 590 T N -1.700 112.622 114.554 -0.386 0.000 3.086 590 T HA -0.025 4.317 4.350 -0.013 0.000 0.250 590 T C 0.839 175.470 174.700 -0.114 0.000 1.074 590 T CA -0.474 61.250 62.100 -0.627 0.000 0.988 590 T CB -0.305 68.090 68.868 -0.788 0.000 0.988 590 T HN 0.491 nan 8.240 nan 0.000 0.530 591 T N 1.150 115.699 114.554 -0.008 0.000 2.902 591 T HA 0.218 4.560 4.350 -0.013 0.000 0.301 591 T C 0.477 175.242 174.700 0.109 0.000 1.012 591 T CA -0.235 61.892 62.100 0.044 0.000 1.151 591 T CB 0.546 69.428 68.868 0.024 0.000 0.946 591 T HN 0.520 nan 8.240 nan 0.000 0.542 592 Q N -0.455 119.387 119.800 0.071 0.000 2.340 592 Q HA -0.198 4.134 4.340 -0.013 0.000 0.174 592 Q C 0.606 176.598 176.000 -0.014 0.000 0.585 592 Q CA 1.023 56.845 55.803 0.032 0.000 1.358 592 Q CB -1.939 26.820 28.738 0.035 0.000 1.286 592 Q HN 0.731 nan 8.270 nan 0.000 0.940 593 F N 0.375 120.182 119.950 -0.238 0.000 2.126 593 F HA -0.193 4.327 4.527 -0.013 0.000 0.299 593 F C 2.376 177.784 175.800 -0.654 0.000 1.096 593 F CA 1.847 59.547 58.000 -0.499 0.000 1.255 593 F CB -0.254 38.492 39.000 -0.424 0.000 0.997 593 F HN 0.018 nan 8.300 nan 0.000 0.479 594 V N -0.129 119.629 119.914 -0.261 0.000 2.307 594 V HA -0.264 3.848 4.120 -0.013 0.000 0.245 594 V C 2.390 178.337 176.094 -0.244 0.000 1.045 594 V CA 2.078 64.202 62.300 -0.294 0.000 1.024 594 V CB -0.589 31.137 31.823 -0.161 0.000 0.651 594 V HN 0.380 nan 8.190 nan 0.000 0.449 595 E N 0.710 120.807 120.200 -0.170 0.000 2.051 595 E HA -0.285 4.057 4.350 -0.013 0.000 0.192 595 E C 2.106 178.600 176.600 -0.177 0.000 0.991 595 E CA 1.587 57.910 56.400 -0.129 0.000 0.799 595 E CB -0.139 29.517 29.700 -0.074 0.000 0.748 595 E HN 0.581 nan 8.360 nan 0.000 0.449 596 K N 0.230 120.465 120.400 -0.276 0.000 2.362 596 K HA -0.093 4.219 4.320 -0.013 0.000 0.200 596 K C 1.696 178.052 176.600 -0.406 0.000 1.046 596 K CA 0.921 57.029 56.287 -0.299 0.000 0.952 596 K CB -0.110 32.209 32.500 -0.301 0.000 0.753 596 K HN 0.064 nan 8.250 nan 0.000 0.466 597 N N 1.259 119.620 118.700 -0.565 0.000 2.467 597 N HA -0.085 4.648 4.740 -0.013 0.000 0.184 597 N C -0.606 174.819 175.510 -0.141 0.000 1.106 597 N CA 0.274 53.077 53.050 -0.412 0.000 0.892 597 N CB 0.112 38.308 38.487 -0.485 0.000 0.969 597 N HN 0.032 nan 8.380 nan 0.000 0.454 598 N N 0.308 118.944 118.700 -0.107 0.000 2.442 598 N HA 0.151 4.883 4.740 -0.013 0.000 0.274 598 N C -1.568 173.948 175.510 0.011 0.000 1.002 598 N CA -0.496 52.538 53.050 -0.027 0.000 0.910 598 N CB 1.027 39.495 38.487 -0.032 0.000 1.244 598 N HN 0.091 nan 8.380 nan 0.000 0.492 599 D N 1.790 122.219 120.400 0.050 0.000 2.712 599 D HA 0.197 4.830 4.640 -0.013 0.000 0.300 599 D C -0.500 175.853 176.300 0.088 0.000 1.521 599 D CA -0.410 53.631 54.000 0.068 0.000 0.790 599 D CB -0.384 40.464 40.800 0.080 0.000 1.155 599 D HN 0.437 nan 8.370 nan 0.000 0.456 600 A N 0.589 123.463 122.820 0.090 0.000 2.425 600 A HA 0.480 4.793 4.320 -0.013 0.000 0.249 600 A C -0.333 177.311 177.584 0.099 0.000 1.084 600 A CA -0.435 51.667 52.037 0.107 0.000 0.781 600 A CB 0.371 19.446 19.000 0.124 0.000 1.019 600 A HN 0.352 nan 8.150 nan 0.000 0.490 601 L N 3.656 124.932 121.223 0.088 0.000 2.272 601 L HA 0.434 4.767 4.340 -0.013 0.000 0.289 601 L C 0.357 177.240 176.870 0.021 0.000 1.032 601 L CA -0.333 54.521 54.840 0.023 0.000 0.810 601 L CB 0.549 42.624 42.059 0.027 0.000 1.205 601 L HN 0.856 nan 8.230 nan 0.000 0.422 602 H N 2.919 122.018 119.070 0.047 0.000 2.771 602 H HA 0.136 4.682 4.556 -0.016 0.000 0.364 602 H C 1.020 176.363 175.328 0.026 0.000 1.133 602 H CA -0.454 55.613 56.048 0.030 0.000 1.423 602 H CB 0.521 30.289 29.762 0.010 0.000 1.425 602 H HN 0.595 nan 8.280 nan 0.000 0.606 603 M N 1.652 121.343 119.600 0.151 0.000 2.149 603 M HA -0.188 4.285 4.480 -0.013 0.000 0.261 603 M C 2.165 178.502 176.300 0.062 0.000 1.064 603 M CA 1.991 57.338 55.300 0.078 0.000 1.102 603 M CB -0.967 31.674 32.600 0.069 0.000 1.369 603 M HN 0.911 nan 8.290 nan 0.000 0.408 604 S N 0.236 116.036 115.700 0.166 0.000 2.368 604 S HA -0.126 4.336 4.470 -0.013 0.000 0.224 604 S C 1.889 176.508 174.600 0.031 0.000 1.029 604 S CA 0.867 59.139 58.200 0.119 0.000 0.988 604 S CB -0.736 62.568 63.200 0.174 0.000 0.838 604 S HN 0.385 nan 8.310 nan 0.000 0.462 605 L N 2.348 123.522 121.223 -0.082 0.000 2.083 605 L HA 0.051 4.383 4.340 -0.013 0.000 0.209 605 L C 2.514 179.284 176.870 -0.167 0.000 1.083 605 L CA 2.365 57.086 54.840 -0.199 0.000 0.752 605 L CB -1.395 40.360 42.059 -0.506 0.000 0.899 605 L HN 0.535 nan 8.230 nan 0.000 0.433 606 E N -0.758 119.349 120.200 -0.156 0.000 2.031 606 E HA -0.190 4.152 4.350 -0.013 0.000 0.193 606 E C 2.202 178.711 176.600 -0.152 0.000 0.994 606 E CA 1.850 58.175 56.400 -0.125 0.000 0.800 606 E CB -0.381 29.291 29.700 -0.047 0.000 0.752 606 E HN 0.449 nan 8.360 nan 0.000 0.447 607 S N 0.022 115.667 115.700 -0.092 0.000 2.365 607 S HA -0.199 4.263 4.470 -0.013 0.000 0.225 607 S C 1.755 176.283 174.600 -0.120 0.000 1.039 607 S CA 1.232 59.380 58.200 -0.087 0.000 1.033 607 S CB -0.556 62.621 63.200 -0.038 0.000 0.887 607 S HN 0.296 nan 8.310 nan 0.000 0.447 608 L N 1.143 122.304 121.223 -0.104 0.000 1.990 608 L HA -0.108 4.225 4.340 -0.013 0.000 0.213 608 L C 2.090 178.866 176.870 -0.157 0.000 1.072 608 L CA 1.644 56.427 54.840 -0.096 0.000 0.755 608 L CB -0.661 41.361 42.059 -0.061 0.000 0.889 608 L HN 0.295 nan 8.230 nan 0.000 0.432 609 I N -1.246 119.176 120.570 -0.246 0.000 2.315 609 I HA -0.290 3.872 4.170 -0.013 0.000 0.248 609 I C 2.397 178.198 176.117 -0.527 0.000 1.117 609 I CA 1.284 62.360 61.300 -0.373 0.000 1.404 609 I CB -0.426 37.285 38.000 -0.483 0.000 1.071 609 I HN 0.364 nan 8.210 nan 0.000 0.419 610 C N 0.524 119.492 119.300 -0.553 0.000 2.410 610 C HA -0.128 4.325 4.460 -0.013 0.000 0.281 610 C C 1.727 176.595 174.990 -0.203 0.000 1.318 610 C CA 0.771 59.538 59.018 -0.419 0.000 1.776 610 C CB -1.567 26.019 27.740 -0.256 0.000 1.942 610 C HN 0.479 nan 8.230 nan 0.000 0.508 611 E N 0.349 120.454 120.200 -0.159 0.000 2.542 611 E HA 0.116 4.458 4.350 -0.013 0.000 0.224 611 E C 0.203 176.763 176.600 -0.068 0.000 1.110 611 E CA -0.213 56.135 56.400 -0.087 0.000 1.350 611 E CB 0.359 30.021 29.700 -0.064 0.000 1.302 611 E HN 0.311 nan 8.360 nan 0.000 0.435 612 S N 0.429 116.082 115.700 -0.077 0.000 2.562 612 S HA 0.092 4.554 4.470 -0.013 0.000 0.281 612 S C 1.264 175.858 174.600 -0.009 0.000 1.333 612 S CA -0.295 57.883 58.200 -0.037 0.000 1.052 612 S CB 0.726 63.911 63.200 -0.026 0.000 0.884 612 S HN 0.330 nan 8.310 nan 0.000 0.506 613 R N 1.559 122.062 120.500 0.005 0.000 2.120 613 R HA -0.036 4.296 4.340 -0.013 0.000 0.234 613 R C 0.235 176.552 176.300 0.028 0.000 1.123 613 R CA 0.917 57.025 56.100 0.014 0.000 0.975 613 R CB -0.196 30.114 30.300 0.017 0.000 0.866 613 R HN 0.606 nan 8.270 nan 0.000 0.446 614 D N 1.437 121.862 120.400 0.043 0.000 2.346 614 D HA -0.038 4.594 4.640 -0.013 0.000 0.260 614 D C 0.700 177.047 176.300 0.078 0.000 1.252 614 D CA 0.281 54.322 54.000 0.069 0.000 0.895 614 D CB 1.016 41.873 40.800 0.095 0.000 1.097 614 D HN -0.020 nan 8.370 nan 0.000 0.489 615 K N 3.746 124.190 120.400 0.073 0.000 2.211 615 K HA -0.205 4.107 4.320 -0.013 0.000 0.204 615 K C 1.673 178.316 176.600 0.073 0.000 1.047 615 K CA 0.821 57.143 56.287 0.058 0.000 0.935 615 K CB -0.153 32.376 32.500 0.049 0.000 0.728 615 K HN 0.452 nan 8.250 nan 0.000 0.452 616 F N 1.449 121.375 119.950 -0.039 0.000 2.146 616 F HA -0.096 4.423 4.527 -0.014 0.000 0.298 616 F C 1.711 177.473 175.800 -0.064 0.000 1.096 616 F CA 1.291 59.243 58.000 -0.081 0.000 1.275 616 F CB -0.018 38.919 39.000 -0.106 0.000 1.008 616 F HN -0.056 nan 8.300 nan 0.000 0.480 617 I N 0.015 120.638 120.570 0.087 0.000 2.252 617 I HA -0.247 3.915 4.170 -0.013 0.000 0.245 617 I C 2.445 178.608 176.117 0.077 0.000 1.102 617 I CA 1.038 62.385 61.300 0.078 0.000 1.385 617 I CB -0.514 37.574 38.000 0.147 0.000 1.064 617 I HN 0.044 nan 8.210 nan 0.000 0.414 618 R N 0.770 121.285 120.500 0.025 0.000 2.127 618 R HA -0.194 4.139 4.340 -0.013 0.000 0.238 618 R C 1.975 178.285 176.300 0.018 0.000 1.134 618 R CA 1.385 57.496 56.100 0.017 0.000 0.975 618 R CB -0.307 29.989 30.300 -0.006 0.000 0.865 618 R HN 0.498 nan 8.270 nan 0.000 0.447 619 E N 0.487 120.637 120.200 -0.083 0.000 2.285 619 E HA -0.054 4.288 4.350 -0.013 0.000 0.194 619 E C 1.951 178.429 176.600 -0.204 0.000 0.997 619 E CA 0.352 56.665 56.400 -0.144 0.000 0.845 619 E CB 0.080 29.659 29.700 -0.201 0.000 0.782 619 E HN 0.308 nan 8.360 nan 0.000 0.491 620 L N 0.206 121.261 121.223 -0.280 0.000 2.191 620 L HA -0.109 4.223 4.340 -0.013 0.000 0.212 620 L C 0.629 177.254 176.870 -0.408 0.000 1.103 620 L CA 0.796 55.421 54.840 -0.358 0.000 0.769 620 L CB -0.166 41.658 42.059 -0.392 0.000 0.908 620 L HN 0.009 nan 8.230 nan 0.000 0.438 640 F N 2.665 122.636 119.950 0.035 0.000 2.084 640 F HA 0.452 4.971 4.527 -0.013 0.000 0.296 640 F C 0.559 176.389 175.800 0.049 0.000 1.111 640 F CA 1.057 59.081 58.000 0.039 0.000 1.224 640 F CB 0.166 39.191 39.000 0.041 0.000 0.991 640 F HN 0.425 nan 8.300 nan 0.000 0.471 641 I N 1.824 122.428 120.570 0.057 0.000 2.307 641 I HA 0.174 4.337 4.170 -0.013 0.000 0.287 641 I C 0.307 176.454 176.117 0.050 0.000 1.054 641 I CA -0.650 60.643 61.300 -0.013 0.000 1.218 641 I CB 0.469 38.490 38.000 0.036 0.000 1.398 641 I HN 0.071 nan 8.210 nan 0.000 0.475 642 S N 4.661 120.380 115.700 0.033 0.000 2.624 642 S HA 0.282 4.745 4.470 -0.013 0.000 0.263 642 S C 1.182 175.846 174.600 0.105 0.000 1.287 642 S CA -0.818 57.414 58.200 0.054 0.000 0.990 642 S CB 1.888 65.105 63.200 0.029 0.000 0.950 642 S HN 0.338 nan 8.310 nan 0.000 0.561 643 V N 2.051 122.039 119.914 0.122 0.000 2.295 643 V HA -0.057 4.056 4.120 -0.013 0.000 0.246 643 V C 2.789 179.054 176.094 0.285 0.000 1.049 643 V CA 2.369 64.791 62.300 0.203 0.000 1.024 643 V CB -1.819 30.138 31.823 0.223 0.000 0.648 643 V HN 1.065 nan 8.190 nan 0.000 0.447 644 G N -0.190 108.791 108.800 0.302 0.000 2.440 644 G HA2 -0.353 3.599 3.960 -0.013 0.000 0.218 644 G HA3 -0.353 3.599 3.960 -0.013 0.000 0.218 644 G C 1.522 176.600 174.900 0.297 0.000 1.154 644 G CA 1.079 46.383 45.100 0.340 0.000 0.767 644 G HN 0.535 nan 8.290 nan 0.000 0.552 645 N N 0.377 119.198 118.700 0.202 0.000 2.188 645 N HA -0.056 4.676 4.740 -0.013 0.000 0.184 645 N C 2.117 177.731 175.510 0.173 0.000 1.018 645 N CA 0.930 54.077 53.050 0.160 0.000 0.858 645 N CB -0.145 38.388 38.487 0.077 0.000 0.989 645 N HN 0.273 nan 8.380 nan 0.000 0.426 646 K N -0.322 120.186 120.400 0.180 0.000 2.155 646 K HA -0.104 4.209 4.320 -0.013 0.000 0.203 646 K C 1.854 178.566 176.600 0.186 0.000 1.052 646 K CA 0.709 57.089 56.287 0.155 0.000 0.948 646 K CB -0.198 32.388 32.500 0.144 0.000 0.728 646 K HN 0.129 nan 8.250 nan 0.000 0.448 647 F N 2.481 122.507 119.950 0.126 0.000 2.102 647 F HA -0.226 4.293 4.527 -0.013 0.000 0.298 647 F C 2.381 178.266 175.800 0.142 0.000 1.105 647 F CA 1.611 59.689 58.000 0.131 0.000 1.239 647 F CB -0.011 39.081 39.000 0.153 0.000 0.991 647 F HN -0.148 nan 8.300 nan 0.000 0.474 648 K N -0.456 120.193 120.400 0.416 0.000 2.032 648 K HA -0.183 4.129 4.320 -0.013 0.000 0.209 648 K C 1.947 178.614 176.600 0.111 0.000 1.048 648 K CA 2.120 58.606 56.287 0.330 0.000 0.927 648 K CB -0.528 32.185 32.500 0.355 0.000 0.712 648 K HN 0.239 nan 8.250 nan 0.000 0.441 649 T N 1.390 116.000 114.554 0.093 0.000 2.665 649 T HA -0.165 4.177 4.350 -0.013 0.000 0.268 649 T C 1.892 176.587 174.700 -0.009 0.000 1.035 649 T CA 1.295 63.421 62.100 0.042 0.000 1.151 649 T CB -0.142 68.755 68.868 0.048 0.000 0.862 649 T HN 0.314 nan 8.240 nan 0.000 0.438 650 Q N 0.107 119.879 119.800 -0.046 0.000 2.083 650 Q HA 0.010 4.342 4.340 -0.013 0.000 0.198 650 Q C 2.448 178.358 176.000 -0.150 0.000 0.969 650 Q CA 0.863 56.621 55.803 -0.074 0.000 0.838 650 Q CB -0.538 28.135 28.738 -0.108 0.000 0.900 650 Q HN 0.383 nan 8.270 nan 0.000 0.436 651 L N 1.786 122.833 121.223 -0.294 0.000 2.042 651 L HA -0.173 4.159 4.340 -0.013 0.000 0.210 651 L C 1.558 178.282 176.870 -0.245 0.000 1.076 651 L CA 1.752 56.378 54.840 -0.357 0.000 0.749 651 L CB -0.735 41.059 42.059 -0.443 0.000 0.893 651 L HN 0.111 nan 8.230 nan 0.000 0.432 652 N N -0.527 118.089 118.700 -0.139 0.000 2.309 652 N HA -0.115 4.618 4.740 -0.013 0.000 0.182 652 N C 1.857 177.307 175.510 -0.100 0.000 1.018 652 N CA 1.402 54.394 53.050 -0.096 0.000 0.876 652 N CB -0.275 38.197 38.487 -0.025 0.000 0.972 652 N HN 0.405 nan 8.380 nan 0.000 0.434 653 L N -0.068 121.112 121.223 -0.072 0.000 2.072 653 L HA -0.094 4.238 4.340 -0.013 0.000 0.205 653 L C 2.178 178.982 176.870 -0.109 0.000 1.079 653 L CA 0.495 55.324 54.840 -0.019 0.000 0.752 653 L CB -0.403 41.707 42.059 0.085 0.000 0.906 653 L HN 0.140 nan 8.230 nan 0.000 0.436 654 L N 0.029 121.056 121.223 -0.328 0.000 2.017 654 L HA -0.200 4.132 4.340 -0.013 0.000 0.208 654 L C 2.287 178.826 176.870 -0.551 0.000 1.073 654 L CA 1.778 56.134 54.840 -0.807 0.000 0.745 654 L CB -0.495 40.910 42.059 -1.090 0.000 0.894 654 L HN 0.091 nan 8.230 nan 0.000 0.432 655 L N -0.480 120.496 121.223 -0.411 0.000 2.131 655 L HA -0.204 4.129 4.340 -0.013 0.000 0.210 655 L C 2.219 178.912 176.870 -0.294 0.000 1.092 655 L CA 1.188 55.798 54.840 -0.384 0.000 0.759 655 L CB -0.753 41.143 42.059 -0.272 0.000 0.903 655 L HN 0.301 nan 8.230 nan 0.000 0.435 656 D N -0.021 120.265 120.400 -0.190 0.000 2.104 656 D HA -0.223 4.409 4.640 -0.013 0.000 0.194 656 D C 2.107 178.339 176.300 -0.113 0.000 0.994 656 D CA 1.198 55.134 54.000 -0.107 0.000 0.830 656 D CB -0.038 40.731 40.800 -0.051 0.000 0.959 656 D HN 0.192 nan 8.370 nan 0.000 0.452 657 K N 0.397 120.703 120.400 -0.157 0.000 2.026 657 K HA -0.104 4.208 4.320 -0.013 0.000 0.208 657 K C 2.232 178.723 176.600 -0.182 0.000 1.048 657 K CA 0.809 57.019 56.287 -0.129 0.000 0.929 657 K CB -0.184 32.209 32.500 -0.178 0.000 0.713 657 K HN 0.106 nan 8.250 nan 0.000 0.439 658 L N 0.504 121.496 121.223 -0.385 0.000 2.017 658 L HA -0.167 4.165 4.340 -0.013 0.000 0.208 658 L C 2.568 179.310 176.870 -0.214 0.000 1.073 658 L CA 1.392 55.972 54.840 -0.433 0.000 0.745 658 L CB -0.421 41.116 42.059 -0.871 0.000 0.894 658 L HN 0.172 nan 8.230 nan 0.000 0.432 659 R N -0.033 120.340 120.500 -0.211 0.000 2.241 659 R HA -0.105 4.228 4.340 -0.013 0.000 0.224 659 R C 2.311 178.662 176.300 0.086 0.000 1.101 659 R CA 1.313 57.453 56.100 0.067 0.000 0.995 659 R CB -0.264 30.063 30.300 0.046 0.000 0.870 659 R HN 0.478 nan 8.270 nan 0.000 0.463 660 S N -0.822 114.902 115.700 0.041 0.000 2.558 660 S HA -0.019 4.443 4.470 -0.013 0.000 0.217 660 S C 0.972 175.596 174.600 0.040 0.000 0.975 660 S CA 0.139 58.369 58.200 0.051 0.000 0.912 660 S CB 0.071 63.311 63.200 0.067 0.000 0.776 660 S HN 0.262 nan 8.310 nan 0.000 0.526 661 T N -1.394 113.197 114.554 0.061 0.000 2.937 661 T HA 0.731 5.074 4.350 -0.013 0.000 0.283 661 T C 0.337 175.061 174.700 0.040 0.000 1.012 661 T CA -0.407 61.705 62.100 0.020 0.000 0.997 661 T CB 1.208 70.119 68.868 0.071 0.000 1.136 661 T HN 0.242 nan 8.240 nan 0.000 0.551 662 G N -0.423 108.362 108.800 -0.026 0.000 2.377 662 G HA2 0.618 4.570 3.960 -0.013 0.000 0.299 662 G HA3 0.618 4.570 3.960 -0.013 0.000 0.299 662 G C -0.551 174.340 174.900 -0.014 0.000 1.150 662 G CA -0.610 44.473 45.100 -0.029 0.000 0.847 662 G HN 1.086 nan 8.290 nan 0.000 0.501 663 A N 1.165 123.969 122.820 -0.027 0.000 2.374 663 A HA 0.899 5.211 4.320 -0.013 0.000 0.317 663 A C -0.015 177.412 177.584 -0.261 0.000 1.094 663 A CA -0.564 51.389 52.037 -0.140 0.000 0.765 663 A CB 1.709 20.651 19.000 -0.098 0.000 1.268 663 A HN 0.939 nan 8.150 nan 0.000 0.438 664 S N -0.176 115.239 115.700 -0.475 0.000 2.595 664 S HA 0.848 5.310 4.470 -0.013 0.000 0.281 664 S C -1.333 172.872 174.600 -0.659 0.000 1.117 664 S CA -0.369 57.619 58.200 -0.353 0.000 0.873 664 S CB 1.100 64.234 63.200 -0.109 0.000 1.108 664 S HN 0.487 nan 8.310 nan 0.000 0.477 665 F N 0.849 120.809 119.950 0.017 0.000 2.540 665 F HA 0.650 5.169 4.527 -0.013 0.000 0.317 665 F C -0.273 175.521 175.800 -0.009 0.000 1.104 665 F CA -0.798 57.169 58.000 -0.055 0.000 0.913 665 F CB 1.171 40.053 39.000 -0.198 0.000 1.170 665 F HN 0.301 nan 8.300 nan 0.000 0.450 666 I N 3.694 124.337 120.570 0.121 0.000 2.509 666 I HA 0.522 4.685 4.170 -0.013 0.000 0.293 666 I C -0.875 175.289 176.117 0.078 0.000 1.020 666 I CA -1.087 60.275 61.300 0.103 0.000 1.088 666 I CB 1.840 39.883 38.000 0.073 0.000 1.267 666 I HN 0.416 nan 8.210 nan 0.000 0.430 667 R N 4.653 125.204 120.500 0.085 0.000 2.337 667 R HA 0.435 4.767 4.340 -0.013 0.000 0.319 667 R C -1.186 175.138 176.300 0.041 0.000 0.954 667 R CA -0.717 55.418 56.100 0.060 0.000 0.840 667 R CB 0.903 31.250 30.300 0.078 0.000 1.164 667 R HN 0.542 nan 8.270 nan 0.000 0.472 668 C N 3.484 122.798 119.300 0.023 0.000 2.466 668 C HA 0.589 5.041 4.460 -0.013 0.000 0.379 668 C C 0.556 175.522 174.990 -0.040 0.000 1.251 668 C CA -0.613 58.399 59.018 -0.009 0.000 2.263 668 C CB 0.196 27.932 27.740 -0.008 0.000 2.511 668 C HN 0.580 nan 8.230 nan 0.000 0.573 669 I N 2.426 122.939 120.570 -0.095 0.000 2.499 669 I HA 0.341 4.503 4.170 -0.013 0.000 0.288 669 I C -0.111 175.893 176.117 -0.188 0.000 1.048 669 I CA -0.391 60.829 61.300 -0.133 0.000 1.062 669 I CB 1.593 39.496 38.000 -0.163 0.000 1.238 669 I HN 0.724 nan 8.210 nan 0.000 0.426 670 K N 8.642 128.953 120.400 -0.149 0.000 2.284 670 K HA 0.347 4.660 4.320 -0.013 0.000 0.287 670 K C -1.705 174.793 176.600 -0.170 0.000 1.081 670 K CA -1.280 54.927 56.287 -0.133 0.000 0.910 670 K CB 1.489 33.970 32.500 -0.032 0.000 1.088 670 K HN 0.237 nan 8.250 nan 0.000 0.478 671 P HA -0.118 nan 4.420 nan 0.000 0.223 671 P C -0.949 176.312 177.300 -0.065 0.000 1.151 671 P CA 0.997 63.959 63.100 -0.229 0.000 0.787 671 P CB -0.083 31.508 31.700 -0.182 0.000 0.788 672 N N -3.355 115.388 118.700 0.072 0.000 3.465 672 N HA 0.089 4.821 4.740 -0.013 0.000 0.244 672 N C 0.368 175.946 175.510 0.113 0.000 1.454 672 N CA -0.820 52.280 53.050 0.084 0.000 0.865 672 N CB -0.147 38.414 38.487 0.124 0.000 1.439 672 N HN -0.310 nan 8.380 nan 0.000 0.480 673 L N -1.478 119.775 121.223 0.050 0.000 2.068 673 L HA 0.171 4.503 4.340 -0.013 0.000 0.204 673 L C 2.475 179.342 176.870 -0.004 0.000 1.076 673 L CA 1.616 56.470 54.840 0.023 0.000 0.753 673 L CB -0.947 41.110 42.059 -0.003 0.000 0.910 673 L HN 0.831 nan 8.230 nan 0.000 0.439 674 K N -0.355 120.030 120.400 -0.025 0.000 2.589 674 K HA 0.070 4.382 4.320 -0.013 0.000 0.192 674 K C 1.197 177.703 176.600 -0.158 0.000 1.029 674 K CA 0.524 56.766 56.287 -0.076 0.000 1.031 674 K CB -0.719 31.734 32.500 -0.080 0.000 0.821 674 K HN 0.373 nan 8.250 nan 0.000 0.502 675 M N 0.395 119.830 119.600 -0.275 0.000 2.818 675 M HA -0.143 4.329 4.480 -0.013 0.000 0.194 675 M C 0.159 176.076 176.300 -0.638 0.000 0.586 675 M CA 1.421 56.195 55.300 -0.877 0.000 0.664 675 M CB -3.096 29.149 32.600 -0.591 0.000 2.418 675 M HN 0.693 nan 8.290 nan 0.000 0.517 676 T N -2.003 112.491 114.554 -0.100 0.000 2.875 676 T HA 0.618 4.961 4.350 -0.013 0.000 0.284 676 T C 0.557 175.518 174.700 0.434 0.000 0.995 676 T CA -0.554 61.624 62.100 0.130 0.000 1.060 676 T CB 2.190 71.101 68.868 0.071 0.000 0.967 676 T HN 0.205 nan 8.240 nan 0.000 0.476 677 S N 1.478 117.448 115.700 0.450 0.000 2.593 677 S HA 0.244 4.707 4.470 -0.013 0.000 0.269 677 S C 0.026 174.958 174.600 0.554 0.000 1.334 677 S CA -0.310 58.228 58.200 0.563 0.000 1.015 677 S CB -0.319 63.283 63.200 0.670 0.000 0.912 677 S HN 1.010 nan 8.310 nan 0.000 0.541 678 H N -0.314 118.886 119.070 0.216 0.000 2.741 678 H HA -0.172 4.376 4.556 -0.013 0.000 0.305 678 H C -0.658 174.741 175.328 0.118 0.000 1.169 678 H CA 0.985 57.071 56.048 0.062 0.000 1.144 678 H CB -1.963 27.782 29.762 -0.029 0.000 1.397 678 H HN 0.531 nan 8.280 nan 0.000 0.409 679 H N -0.751 118.543 119.070 0.373 0.000 2.609 679 H HA 0.413 4.961 4.556 -0.013 0.000 0.344 679 H C -0.954 174.605 175.328 0.385 0.000 1.040 679 H CA -0.738 55.505 56.048 0.325 0.000 1.216 679 H CB 0.796 30.699 29.762 0.235 0.000 1.529 679 H HN 0.214 nan 8.280 nan 0.000 0.519 680 F N 3.505 123.597 119.950 0.236 0.000 2.443 680 F HA 0.257 4.776 4.527 -0.013 0.000 0.369 680 F C -0.362 175.506 175.800 0.113 0.000 1.090 680 F CA -0.716 57.375 58.000 0.152 0.000 1.129 680 F CB 0.730 39.812 39.000 0.137 0.000 1.367 680 F HN 0.437 nan 8.300 nan 0.000 0.465 681 E N 4.120 124.243 120.200 -0.129 0.000 1.858 681 E HA 0.115 4.457 4.350 -0.013 0.000 0.267 681 E C 1.192 177.655 176.600 -0.229 0.000 1.215 681 E CA 0.178 56.527 56.400 -0.086 0.000 0.952 681 E CB 0.811 30.480 29.700 -0.053 0.000 1.058 681 E HN 0.904 nan 8.360 nan 0.000 0.407 682 G N 3.471 112.230 108.800 -0.069 0.000 2.628 682 G HA2 -0.378 3.574 3.960 -0.013 0.000 0.217 682 G HA3 -0.378 3.574 3.960 -0.013 0.000 0.217 682 G C 1.434 176.297 174.900 -0.062 0.000 1.240 682 G CA 1.170 46.257 45.100 -0.021 0.000 0.792 682 G HN 0.571 nan 8.290 nan 0.000 0.593 683 A N 0.123 122.936 122.820 -0.012 0.000 2.024 683 A HA -0.128 4.185 4.320 -0.013 0.000 0.220 683 A C 2.314 179.859 177.584 -0.064 0.000 1.164 683 A CA 2.259 54.270 52.037 -0.043 0.000 0.643 683 A CB -0.417 18.572 19.000 -0.017 0.000 0.806 683 A HN 0.623 nan 8.150 nan 0.000 0.451 684 Q N -0.694 119.054 119.800 -0.087 0.000 2.250 684 Q HA 0.049 4.382 4.340 -0.013 0.000 0.200 684 Q C 1.789 177.709 176.000 -0.135 0.000 0.941 684 Q CA 0.948 56.692 55.803 -0.098 0.000 0.872 684 Q CB -0.167 28.517 28.738 -0.090 0.000 0.965 684 Q HN 0.647 nan 8.270 nan 0.000 0.480 685 I N 0.707 121.147 120.570 -0.218 0.000 2.500 685 I HA -0.192 3.971 4.170 -0.013 0.000 0.252 685 I C 2.174 178.220 176.117 -0.119 0.000 1.142 685 I CA 0.263 61.419 61.300 -0.241 0.000 1.451 685 I CB -0.077 37.631 38.000 -0.486 0.000 1.093 685 I HN 0.298 nan 8.210 nan 0.000 0.430 686 L N 0.447 121.624 121.223 -0.077 0.000 2.017 686 L HA -0.231 4.101 4.340 -0.013 0.000 0.208 686 L C 2.672 179.542 176.870 -0.000 0.000 1.073 686 L CA 2.148 56.985 54.840 -0.004 0.000 0.745 686 L CB -0.744 41.322 42.059 0.012 0.000 0.894 686 L HN 0.197 nan 8.230 nan 0.000 0.432 687 S N -1.158 114.532 115.700 -0.016 0.000 2.370 687 S HA -0.286 4.176 4.470 -0.013 0.000 0.226 687 S C 1.979 176.590 174.600 0.018 0.000 1.033 687 S CA 1.764 59.970 58.200 0.010 0.000 1.011 687 S CB -0.317 62.883 63.200 -0.000 0.000 0.852 687 S HN 0.706 nan 8.310 nan 0.000 0.457 688 Q N 0.117 119.911 119.800 -0.009 0.000 2.167 688 Q HA 0.039 4.372 4.340 -0.013 0.000 0.202 688 Q C 2.264 178.283 176.000 0.032 0.000 0.970 688 Q CA 1.398 57.204 55.803 0.005 0.000 0.855 688 Q CB -0.258 28.460 28.738 -0.033 0.000 0.911 688 Q HN 0.542 nan 8.270 nan 0.000 0.438 689 L N 0.321 121.557 121.223 0.022 0.000 2.093 689 L HA -0.228 4.104 4.340 -0.013 0.000 0.208 689 L C 2.319 179.230 176.870 0.069 0.000 1.085 689 L CA 1.235 56.102 54.840 0.044 0.000 0.755 689 L CB -0.280 41.795 42.059 0.028 0.000 0.904 689 L HN 0.305 nan 8.230 nan 0.000 0.435 690 Q N -1.278 118.551 119.800 0.049 0.000 2.096 690 Q HA -0.148 4.184 4.340 -0.013 0.000 0.197 690 Q C 2.424 178.421 176.000 -0.005 0.000 0.964 690 Q CA 1.489 57.308 55.803 0.027 0.000 0.838 690 Q CB -0.203 28.541 28.738 0.010 0.000 0.906 690 Q HN 0.523 nan 8.270 nan 0.000 0.444 691 C N 0.402 119.722 119.300 0.032 0.000 2.432 691 C HA -0.009 4.443 4.460 -0.013 0.000 0.282 691 C C 2.530 177.646 174.990 0.210 0.000 1.388 691 C CA 0.608 59.660 59.018 0.057 0.000 1.777 691 C CB -0.592 27.271 27.740 0.205 0.000 1.882 691 C HN 0.432 nan 8.230 nan 0.000 0.520 692 S N -0.476 115.351 115.700 0.212 0.000 2.562 692 S HA 0.251 4.714 4.470 -0.013 0.000 0.221 692 S C 1.684 176.505 174.600 0.369 0.000 0.975 692 S CA 0.893 59.243 58.200 0.251 0.000 0.918 692 S CB -0.045 63.249 63.200 0.157 0.000 0.772 692 S HN 0.848 nan 8.310 nan 0.000 0.531 693 G N 1.210 110.272 108.800 0.435 0.000 2.143 693 G HA2 -0.272 3.681 3.960 -0.013 0.000 0.249 693 G HA3 -0.272 3.681 3.960 -0.013 0.000 0.249 693 G C 0.821 175.880 174.900 0.264 0.000 0.981 693 G CA 0.511 45.886 45.100 0.458 0.000 0.665 693 G HN 0.301 nan 8.290 nan 0.000 0.528 694 M N -0.004 119.732 119.600 0.227 0.000 2.132 694 M HA 0.017 4.490 4.480 -0.013 0.000 0.263 694 M C 2.798 179.126 176.300 0.046 0.000 1.065 694 M CA 1.774 57.155 55.300 0.135 0.000 1.122 694 M CB -1.233 31.441 32.600 0.124 0.000 1.365 694 M HN 0.221 nan 8.290 nan 0.000 0.411 695 V N -0.383 119.566 119.914 0.058 0.000 2.332 695 V HA -0.270 3.842 4.120 -0.013 0.000 0.248 695 V C 2.629 178.745 176.094 0.038 0.000 1.055 695 V CA 2.090 64.411 62.300 0.035 0.000 1.038 695 V CB -1.080 30.771 31.823 0.047 0.000 0.651 695 V HN 0.541 nan 8.190 nan 0.000 0.450 696 S N -0.606 115.131 115.700 0.063 0.000 2.382 696 S HA -0.157 4.305 4.470 -0.013 0.000 0.228 696 S C 1.948 176.516 174.600 -0.054 0.000 1.027 696 S CA 1.856 60.090 58.200 0.056 0.000 0.991 696 S CB -0.153 63.131 63.200 0.139 0.000 0.823 696 S HN 0.330 nan 8.310 nan 0.000 0.469 697 V N 2.004 121.816 119.914 -0.169 0.000 2.453 697 V HA -0.049 4.064 4.120 -0.013 0.000 0.247 697 V C 2.364 178.360 176.094 -0.163 0.000 1.048 697 V CA 1.559 63.669 62.300 -0.316 0.000 1.049 697 V CB -0.587 30.897 31.823 -0.565 0.000 0.672 697 V HN 0.496 nan 8.190 nan 0.000 0.457 698 L N -0.240 120.936 121.223 -0.078 0.000 2.083 698 L HA -0.186 4.146 4.340 -0.013 0.000 0.209 698 L C 2.328 179.199 176.870 0.003 0.000 1.083 698 L CA 1.550 56.374 54.840 -0.027 0.000 0.752 698 L CB -0.867 41.183 42.059 -0.014 0.000 0.899 698 L HN 0.338 nan 8.230 nan 0.000 0.433 699 D N 0.322 120.733 120.400 0.018 0.000 2.117 699 D HA -0.194 4.439 4.640 -0.013 0.000 0.197 699 D C 2.200 178.530 176.300 0.049 0.000 0.987 699 D CA 1.041 55.074 54.000 0.055 0.000 0.829 699 D CB -0.227 40.622 40.800 0.081 0.000 0.961 699 D HN 0.267 nan 8.370 nan 0.000 0.460 700 L N -0.135 121.097 121.223 0.016 0.000 2.046 700 L HA -0.134 4.198 4.340 -0.013 0.000 0.208 700 L C 2.178 179.039 176.870 -0.015 0.000 1.077 700 L CA 1.134 55.974 54.840 -0.001 0.000 0.747 700 L CB -0.121 41.842 42.059 -0.161 0.000 0.896 700 L HN -0.027 nan 8.230 nan 0.000 0.432 701 M N -0.949 118.635 119.600 -0.027 0.000 2.476 701 M HA -0.138 4.334 4.480 -0.013 0.000 0.262 701 M C 1.852 178.178 176.300 0.043 0.000 1.079 701 M CA 0.846 56.153 55.300 0.012 0.000 1.104 701 M CB -0.046 32.563 32.600 0.015 0.000 1.409 701 M HN 0.305 nan 8.290 nan 0.000 0.467 702 Q N -0.491 119.332 119.800 0.037 0.000 2.437 702 Q HA -0.012 4.320 4.340 -0.013 0.000 0.210 702 Q C 1.978 177.974 176.000 -0.008 0.000 0.972 702 Q CA 1.287 57.108 55.803 0.030 0.000 0.903 702 Q CB -0.607 28.156 28.738 0.042 0.000 0.967 702 Q HN 0.605 nan 8.270 nan 0.000 0.486 703 G N -0.189 108.619 108.800 0.013 0.000 2.650 703 G HA2 0.131 4.083 3.960 -0.013 0.000 0.214 703 G HA3 0.131 4.083 3.960 -0.013 0.000 0.214 703 G C 0.825 175.683 174.900 -0.070 0.000 1.136 703 G CA 0.653 45.761 45.100 0.013 0.000 0.789 703 G HN 0.432 nan 8.290 nan 0.000 0.536 704 G N -0.293 108.454 108.800 -0.088 0.000 3.414 704 G HA2 0.481 4.434 3.960 -0.013 0.000 0.196 704 G HA3 0.481 4.434 3.960 -0.013 0.000 0.196 704 G C -0.890 173.673 174.900 -0.562 0.000 1.486 704 G CA -0.705 44.249 45.100 -0.243 0.000 0.811 704 G HN 0.033 nan 8.290 nan 0.000 0.704 705 F N 1.995 121.991 119.950 0.076 0.000 2.453 705 F HA 0.372 4.891 4.527 -0.013 0.000 0.358 705 F C -1.503 174.436 175.800 0.231 0.000 1.129 705 F CA -1.923 56.129 58.000 0.087 0.000 1.200 705 F CB 2.294 41.281 39.000 -0.021 0.000 1.431 705 F HN 0.132 nan 8.300 nan 0.000 0.503 706 P HA -0.021 nan 4.420 nan 0.000 0.225 706 P C -0.040 177.391 177.300 0.218 0.000 1.156 706 P CA 0.698 63.929 63.100 0.218 0.000 0.787 706 P CB 0.451 32.237 31.700 0.145 0.000 0.802 707 S N 0.944 116.801 115.700 0.261 0.000 2.472 707 S HA 0.583 5.045 4.470 -0.013 0.000 0.303 707 S C 0.116 174.839 174.600 0.205 0.000 1.099 707 S CA -0.679 57.676 58.200 0.259 0.000 1.077 707 S CB 1.678 65.077 63.200 0.331 0.000 1.031 707 S HN 0.168 nan 8.310 nan 0.000 0.487 708 R N 0.111 120.616 120.500 0.009 0.000 2.566 708 R HA 0.810 5.142 4.340 -0.013 0.000 0.271 708 R C -1.898 174.261 176.300 -0.236 0.000 1.071 708 R CA -1.062 54.791 56.100 -0.412 0.000 0.915 708 R CB 1.334 31.031 30.300 -1.006 0.000 1.228 708 R HN 0.618 nan 8.270 nan 0.000 0.449 709 A N 1.692 124.337 122.820 -0.291 0.000 2.427 709 A HA 0.514 4.826 4.320 -0.013 0.000 0.298 709 A C -0.226 177.179 177.584 -0.299 0.000 1.036 709 A CA -0.572 51.380 52.037 -0.141 0.000 0.701 709 A CB 1.773 20.811 19.000 0.064 0.000 1.250 709 A HN 0.948 nan 8.150 nan 0.000 0.412 710 S N 1.062 116.623 115.700 -0.232 0.000 2.566 710 S HA 0.286 4.748 4.470 -0.013 0.000 0.280 710 S C 0.672 175.138 174.600 -0.224 0.000 1.343 710 S CA 0.151 58.151 58.200 -0.333 0.000 1.036 710 S CB -0.231 62.901 63.200 -0.112 0.000 0.866 710 S HN 0.586 nan 8.310 nan 0.000 0.526 711 F N 0.735 120.694 119.950 0.015 0.000 2.134 711 F HA 0.014 4.534 4.527 -0.013 0.000 0.299 711 F C 2.543 178.465 175.800 0.204 0.000 1.097 711 F CA 1.848 59.898 58.000 0.084 0.000 1.264 711 F CB -1.487 37.545 39.000 0.055 0.000 1.001 711 F HN 0.871 nan 8.300 nan 0.000 0.479 712 H N -0.201 119.017 119.070 0.247 0.000 2.387 712 H HA -0.152 4.396 4.556 -0.013 0.000 0.299 712 H C 2.170 177.641 175.328 0.237 0.000 1.090 712 H CA 1.926 58.097 56.048 0.206 0.000 1.332 712 H CB 0.002 29.834 29.762 0.116 0.000 1.386 712 H HN 0.178 nan 8.280 nan 0.000 0.516 713 E N 0.279 120.648 120.200 0.282 0.000 2.072 713 E HA -0.088 4.254 4.350 -0.013 0.000 0.191 713 E C 2.104 178.861 176.600 0.261 0.000 0.985 713 E CA 1.203 57.741 56.400 0.231 0.000 0.801 713 E CB -0.241 29.580 29.700 0.202 0.000 0.750 713 E HN 0.609 nan 8.360 nan 0.000 0.452 714 L N -0.332 121.108 121.223 0.363 0.000 2.217 714 L HA -0.089 4.244 4.340 -0.013 0.000 0.211 714 L C 2.189 179.400 176.870 0.567 0.000 1.107 714 L CA 0.935 56.121 54.840 0.578 0.000 0.783 714 L CB -0.508 41.916 42.059 0.609 0.000 0.919 714 L HN 0.234 nan 8.230 nan 0.000 0.442 715 Y N 1.582 122.003 120.300 0.202 0.000 2.114 715 Y HA -0.270 4.272 4.550 -0.013 0.000 0.284 715 Y C 2.473 178.243 175.900 -0.217 0.000 1.143 715 Y CA 1.762 59.731 58.100 -0.217 0.000 1.135 715 Y CB -0.250 38.022 38.460 -0.312 0.000 0.980 715 Y HN 0.182 nan 8.280 nan 0.000 0.499 716 N N 0.112 118.734 118.700 -0.130 0.000 2.104 716 N HA -0.215 4.518 4.740 -0.013 0.000 0.190 716 N C 1.867 177.287 175.510 -0.149 0.000 1.024 716 N CA 2.144 55.077 53.050 -0.195 0.000 0.853 716 N CB -0.467 37.965 38.487 -0.092 0.000 1.008 716 N HN 0.483 nan 8.380 nan 0.000 0.424 717 M N -1.278 118.288 119.600 -0.057 0.000 2.156 717 M HA -0.096 4.376 4.480 -0.013 0.000 0.264 717 M C 0.901 177.055 176.300 -0.245 0.000 1.067 717 M CA 1.401 56.565 55.300 -0.226 0.000 1.131 717 M CB -0.035 32.319 32.600 -0.409 0.000 1.368 717 M HN 0.133 nan 8.290 nan 0.000 0.416 718 Y N -0.565 119.881 120.300 0.243 0.000 2.445 718 Y HA 0.116 4.658 4.550 -0.013 0.000 0.247 718 Y C 2.019 178.153 175.900 0.389 0.000 1.129 718 Y CA -0.195 58.161 58.100 0.427 0.000 1.251 718 Y CB -0.136 38.592 38.460 0.447 0.000 1.176 718 Y HN 0.157 nan 8.280 nan 0.000 0.522 719 K N 0.802 121.281 120.400 0.131 0.000 2.152 719 K HA -0.157 4.155 4.320 -0.013 0.000 0.206 719 K C 2.107 178.736 176.600 0.049 0.000 1.048 719 K CA 1.686 57.959 56.287 -0.023 0.000 0.933 719 K CB -0.482 31.577 32.500 -0.735 0.000 0.721 719 K HN 0.161 nan 8.250 nan 0.000 0.447 720 K N 1.205 121.564 120.400 -0.067 0.000 2.280 720 K HA -0.126 4.187 4.320 -0.013 0.000 0.202 720 K C 1.632 178.124 176.600 -0.180 0.000 1.047 720 K CA 1.574 57.753 56.287 -0.181 0.000 0.942 720 K CB -1.171 31.129 32.500 -0.333 0.000 0.739 720 K HN 0.514 nan 8.250 nan 0.000 0.457 721 Y N -0.428 119.916 120.300 0.074 0.000 2.511 721 Y HA 0.261 4.803 4.550 -0.013 0.000 0.279 721 Y C 0.967 176.906 175.900 0.065 0.000 1.157 721 Y CA -0.071 58.069 58.100 0.067 0.000 1.300 721 Y CB 0.286 38.797 38.460 0.085 0.000 1.052 721 Y HN 0.108 nan 8.280 nan 0.000 0.529 722 M N -0.014 119.724 119.600 0.230 0.000 2.644 722 M HA 0.397 4.869 4.480 -0.013 0.000 0.316 722 M C -2.510 173.867 176.300 0.129 0.000 1.200 722 M CA -2.697 52.708 55.300 0.176 0.000 0.944 722 M CB 0.692 33.428 32.600 0.227 0.000 1.691 722 M HN -0.237 nan 8.290 nan 0.000 0.471 723 P HA 0.003 nan 4.420 nan 0.000 0.269 723 P C 0.067 177.427 177.300 0.100 0.000 1.211 723 P CA 0.164 63.310 63.100 0.077 0.000 0.781 723 P CB 0.500 32.237 31.700 0.061 0.000 0.877 724 D N 0.674 121.118 120.400 0.075 0.000 2.218 724 D HA -0.155 4.478 4.640 -0.013 0.000 0.204 724 D C 1.695 178.058 176.300 0.105 0.000 0.976 724 D CA 1.135 55.182 54.000 0.079 0.000 0.853 724 D CB -0.155 40.675 40.800 0.051 0.000 0.939 724 D HN 0.448 nan 8.370 nan 0.000 0.481 725 K N 0.513 120.972 120.400 0.098 0.000 2.020 725 K HA -0.163 4.150 4.320 -0.013 0.000 0.212 725 K C 2.071 178.767 176.600 0.160 0.000 1.050 725 K CA 1.035 57.386 56.287 0.106 0.000 0.929 725 K CB -0.197 32.354 32.500 0.086 0.000 0.714 725 K HN 0.146 nan 8.250 nan 0.000 0.443 726 L N 0.246 121.590 121.223 0.202 0.000 2.046 726 L HA -0.149 4.184 4.340 -0.013 0.000 0.208 726 L C 2.612 179.784 176.870 0.502 0.000 1.077 726 L CA 1.196 56.235 54.840 0.331 0.000 0.747 726 L CB -0.665 41.571 42.059 0.295 0.000 0.896 726 L HN 0.322 nan 8.230 nan 0.000 0.432 727 A N -0.122 122.917 122.820 0.366 0.000 2.125 727 A HA -0.180 4.132 4.320 -0.013 0.000 0.219 727 A C 2.341 180.104 177.584 0.299 0.000 1.156 727 A CA 1.180 53.382 52.037 0.276 0.000 0.671 727 A CB -0.480 18.573 19.000 0.088 0.000 0.794 727 A HN 0.342 nan 8.150 nan 0.000 0.459 728 R N -0.805 119.830 120.500 0.226 0.000 2.193 728 R HA 0.134 4.466 4.340 -0.013 0.000 0.213 728 R C 0.149 176.536 176.300 0.145 0.000 1.055 728 R CA 0.019 56.214 56.100 0.157 0.000 0.995 728 R CB -0.335 30.027 30.300 0.102 0.000 0.893 728 R HN 0.455 nan 8.270 nan 0.000 0.459 729 L N 2.098 123.449 121.223 0.214 0.000 2.476 729 L HA -0.019 4.313 4.340 -0.013 0.000 0.264 729 L C 0.733 177.637 176.870 0.057 0.000 1.224 729 L CA -0.209 54.731 54.840 0.166 0.000 0.821 729 L CB 0.123 42.343 42.059 0.269 0.000 1.101 729 L HN 0.247 nan 8.230 nan 0.000 0.488 730 D N 0.636 121.032 120.400 -0.007 0.000 2.360 730 D HA 0.064 4.697 4.640 -0.013 0.000 0.242 730 D C -2.176 174.058 176.300 -0.109 0.000 1.184 730 D CA -1.440 52.488 54.000 -0.120 0.000 0.930 730 D CB 0.960 41.725 40.800 -0.059 0.000 1.161 730 D HN 0.196 nan 8.370 nan 0.000 0.447 731 P HA -0.182 nan 4.420 nan 0.000 0.214 731 P C 1.640 179.060 177.300 0.199 0.000 1.163 731 P CA 1.494 64.574 63.100 -0.033 0.000 0.889 731 P CB -0.015 31.709 31.700 0.040 0.000 0.790 732 R N -0.407 120.102 120.500 0.015 0.000 2.083 732 R HA -0.174 4.158 4.340 -0.013 0.000 0.237 732 R C 2.117 178.411 176.300 -0.010 0.000 1.137 732 R CA 1.577 57.492 56.100 -0.308 0.000 0.951 732 R CB -1.138 28.902 30.300 -0.433 0.000 0.851 732 R HN 0.072 nan 8.270 nan 0.000 0.434 733 L N 0.431 121.688 121.223 0.056 0.000 2.141 733 L HA -0.056 4.276 4.340 -0.013 0.000 0.209 733 L C 1.948 178.960 176.870 0.238 0.000 1.094 733 L CA 1.467 56.370 54.840 0.106 0.000 0.763 733 L CB -0.697 41.392 42.059 0.050 0.000 0.908 733 L HN 0.249 nan 8.230 nan 0.000 0.437 734 F N -0.238 119.814 119.950 0.171 0.000 2.069 734 F HA -0.319 4.200 4.527 -0.013 0.000 0.298 734 F C 2.470 178.469 175.800 0.332 0.000 1.113 734 F CA 2.211 60.375 58.000 0.274 0.000 1.214 734 F CB -0.789 38.449 39.000 0.397 0.000 0.978 734 F HN 0.171 nan 8.300 nan 0.000 0.474 735 C N 1.149 120.746 119.300 0.495 0.000 2.429 735 C HA -0.142 4.311 4.460 -0.013 0.000 0.277 735 C C 2.761 178.026 174.990 0.459 0.000 1.262 735 C CA 0.746 60.078 59.018 0.524 0.000 1.733 735 C CB -1.030 27.090 27.740 0.632 0.000 2.010 735 C HN 0.416 nan 8.230 nan 0.000 0.483 736 K N 1.283 121.835 120.400 0.253 0.000 2.020 736 K HA -0.172 4.140 4.320 -0.013 0.000 0.212 736 K C 2.253 178.837 176.600 -0.027 0.000 1.050 736 K CA 2.076 58.271 56.287 -0.154 0.000 0.929 736 K CB -0.830 31.642 32.500 -0.046 0.000 0.714 736 K HN 0.501 nan 8.250 nan 0.000 0.443 737 A N 1.168 124.046 122.820 0.095 0.000 1.877 737 A HA -0.173 4.140 4.320 -0.013 0.000 0.216 737 A C 2.224 179.706 177.584 -0.170 0.000 1.186 737 A CA 1.286 53.315 52.037 -0.013 0.000 0.620 737 A CB -0.641 18.426 19.000 0.112 0.000 0.822 737 A HN 0.235 nan 8.150 nan 0.000 0.443 738 L N -1.423 119.709 121.223 -0.152 0.000 1.990 738 L HA -0.156 4.177 4.340 -0.013 0.000 0.213 738 L C 2.273 179.042 176.870 -0.170 0.000 1.072 738 L CA 2.056 56.783 54.840 -0.190 0.000 0.755 738 L CB -0.881 41.081 42.059 -0.161 0.000 0.889 738 L HN 0.405 nan 8.230 nan 0.000 0.432 739 F N -0.548 119.289 119.950 -0.189 0.000 2.259 739 F HA -0.143 4.376 4.527 -0.013 0.000 0.298 739 F C 2.453 178.072 175.800 -0.302 0.000 1.088 739 F CA 1.374 59.244 58.000 -0.216 0.000 1.358 739 F CB -0.566 38.326 39.000 -0.180 0.000 1.040 739 F HN 0.057 nan 8.300 nan 0.000 0.505 740 K N 0.926 121.164 120.400 -0.270 0.000 2.057 740 K HA -0.082 4.230 4.320 -0.013 0.000 0.207 740 K C 2.051 178.423 176.600 -0.381 0.000 1.049 740 K CA 1.494 57.481 56.287 -0.499 0.000 0.931 740 K CB -0.574 31.261 32.500 -1.108 0.000 0.714 740 K HN 0.114 nan 8.250 nan 0.000 0.440 741 A N 0.191 122.817 122.820 -0.323 0.000 1.968 741 A HA 0.041 4.353 4.320 -0.013 0.000 0.217 741 A C 1.987 179.441 177.584 -0.217 0.000 1.169 741 A CA 1.063 52.952 52.037 -0.246 0.000 0.638 741 A CB -0.441 18.435 19.000 -0.206 0.000 0.812 741 A HN 0.303 nan 8.150 nan 0.000 0.446 742 L N -1.044 120.040 121.223 -0.232 0.000 2.492 742 L HA 0.153 4.486 4.340 -0.013 0.000 0.223 742 L C 1.585 178.358 176.870 -0.162 0.000 1.132 742 L CA 0.489 55.202 54.840 -0.212 0.000 0.850 742 L CB -0.506 41.383 42.059 -0.282 0.000 0.966 742 L HN 0.536 nan 8.230 nan 0.000 0.454 743 G N 1.347 110.051 108.800 -0.161 0.000 2.246 743 G HA2 -0.275 3.677 3.960 -0.013 0.000 0.273 743 G HA3 -0.275 3.677 3.960 -0.013 0.000 0.273 743 G C 0.106 174.959 174.900 -0.077 0.000 1.055 743 G CA -0.224 44.809 45.100 -0.111 0.000 0.851 743 G HN 0.234 nan 8.290 nan 0.000 0.500 744 L N 0.813 121.973 121.223 -0.104 0.000 2.418 744 L HA 0.183 4.515 4.340 -0.013 0.000 0.274 744 L C 1.128 178.046 176.870 0.080 0.000 1.135 744 L CA -0.524 54.267 54.840 -0.081 0.000 0.870 744 L CB 0.201 42.061 42.059 -0.332 0.000 1.154 744 L HN 0.580 nan 8.230 nan 0.000 0.462 745 N N 1.916 120.716 118.700 0.166 0.000 2.381 745 N HA -0.056 4.676 4.740 -0.013 0.000 0.241 745 N C 0.126 175.755 175.510 0.200 0.000 1.279 745 N CA -0.150 52.991 53.050 0.152 0.000 0.896 745 N CB 0.531 39.107 38.487 0.148 0.000 1.118 745 N HN 0.516 nan 8.380 nan 0.000 0.438 746 E N -0.145 120.123 120.200 0.114 0.000 2.465 746 E HA 0.172 4.514 4.350 -0.013 0.000 0.191 746 E C 0.762 177.411 176.600 0.081 0.000 1.053 746 E CA -0.056 56.398 56.400 0.089 0.000 0.869 746 E CB -0.116 29.599 29.700 0.025 0.000 0.977 746 E HN 0.612 nan 8.360 nan 0.000 0.483 747 I N 1.040 121.674 120.570 0.106 0.000 2.339 747 I HA -0.166 3.996 4.170 -0.013 0.000 0.245 747 I C 1.448 177.644 176.117 0.132 0.000 1.096 747 I CA 0.915 62.276 61.300 0.102 0.000 1.408 747 I CB 0.086 38.132 38.000 0.078 0.000 1.092 747 I HN 0.014 nan 8.210 nan 0.000 0.423 748 D N -0.449 120.017 120.400 0.110 0.000 2.333 748 D HA 0.025 4.658 4.640 -0.013 0.000 0.208 748 D C -0.272 175.891 176.300 -0.229 0.000 0.984 748 D CA 0.863 54.835 54.000 -0.047 0.000 0.873 748 D CB 0.350 41.054 40.800 -0.161 0.000 0.935 748 D HN 0.240 nan 8.370 nan 0.000 0.521 749 Y N 0.234 120.587 120.300 0.090 0.000 2.391 749 Y HA 0.378 4.921 4.550 -0.013 0.000 0.341 749 Y C 0.236 176.017 175.900 -0.199 0.000 0.965 749 Y CA -0.933 57.127 58.100 -0.067 0.000 1.067 749 Y CB 1.811 40.335 38.460 0.106 0.000 1.199 749 Y HN -0.493 nan 8.280 nan 0.000 0.450 750 K N 3.441 123.679 120.400 -0.271 0.000 2.426 750 K HA 0.351 4.664 4.320 -0.013 0.000 0.254 750 K C -1.701 174.743 176.600 -0.260 0.000 0.936 750 K CA -0.756 55.340 56.287 -0.319 0.000 0.801 750 K CB 2.298 34.394 32.500 -0.674 0.000 1.139 750 K HN 0.594 nan 8.250 nan 0.000 0.424 751 F N 1.780 121.557 119.950 -0.288 0.000 2.350 751 F HA 0.350 4.869 4.527 -0.013 0.000 0.365 751 F C 0.953 176.716 175.800 -0.062 0.000 1.122 751 F CA 0.053 57.945 58.000 -0.180 0.000 1.139 751 F CB 0.846 39.727 39.000 -0.198 0.000 1.220 751 F HN 0.641 nan 8.300 nan 0.000 0.499 752 G N 4.504 113.299 108.800 -0.008 0.000 2.532 752 G HA2 0.257 4.209 3.960 -0.013 0.000 0.291 752 G HA3 0.257 4.209 3.960 -0.013 0.000 0.291 752 G C 0.853 175.864 174.900 0.184 0.000 1.349 752 G CA -0.637 44.492 45.100 0.048 0.000 1.038 752 G HN 0.670 nan 8.290 nan 0.000 0.518 753 L N -0.623 120.678 121.223 0.129 0.000 2.093 753 L HA 0.005 4.337 4.340 -0.013 0.000 0.208 753 L C 2.884 179.906 176.870 0.253 0.000 1.085 753 L CA 1.973 56.914 54.840 0.169 0.000 0.755 753 L CB -0.146 41.962 42.059 0.082 0.000 0.904 753 L HN 0.733 nan 8.230 nan 0.000 0.435 754 T N -5.356 109.235 114.554 0.062 0.000 2.958 754 T HA 0.235 4.577 4.350 -0.013 0.000 0.256 754 T C 0.523 174.743 174.700 -0.800 0.000 0.983 754 T CA -0.364 61.652 62.100 -0.139 0.000 0.924 754 T CB 0.535 69.359 68.868 -0.074 0.000 1.136 754 T HN 0.030 nan 8.240 nan 0.000 0.506 755 K N 0.434 120.373 120.400 -0.768 0.000 2.509 755 K HA 0.688 5.000 4.320 -0.013 0.000 0.266 755 K C -1.681 174.431 176.600 -0.814 0.000 0.987 755 K CA -0.927 54.771 56.287 -0.981 0.000 0.868 755 K CB 3.035 35.117 32.500 -0.697 0.000 1.421 755 K HN -0.102 nan 8.250 nan 0.000 0.444 756 V N 2.260 121.663 119.914 -0.851 0.000 2.465 756 V HA 0.367 4.480 4.120 -0.013 0.000 0.279 756 V C -0.849 174.721 176.094 -0.872 0.000 1.045 756 V CA -0.364 61.453 62.300 -0.805 0.000 0.938 756 V CB 0.265 31.524 31.823 -0.939 0.000 0.986 756 V HN 0.475 nan 8.190 nan 0.000 0.467 757 F N 4.559 124.023 119.950 -0.810 0.000 2.443 757 F HA 0.674 5.194 4.527 -0.013 0.000 0.335 757 F C -0.240 175.161 175.800 -0.666 0.000 1.104 757 F CA -0.605 57.028 58.000 -0.612 0.000 1.013 757 F CB 1.450 40.068 39.000 -0.638 0.000 1.136 757 F HN 0.284 nan 8.300 nan 0.000 0.470 758 F N 2.476 122.466 119.950 0.068 0.000 2.507 758 F HA 0.557 5.076 4.527 -0.013 0.000 0.325 758 F C 0.465 176.386 175.800 0.202 0.000 1.116 758 F CA -1.165 56.868 58.000 0.055 0.000 0.930 758 F CB 1.310 40.289 39.000 -0.034 0.000 1.146 758 F HN 0.275 nan 8.300 nan 0.000 0.447 759 R N 1.922 122.587 120.500 0.275 0.000 2.801 759 R HA 0.243 4.575 4.340 -0.013 0.000 0.273 759 R C -2.467 173.881 176.300 0.079 0.000 1.080 759 R CA -1.506 54.631 56.100 0.062 0.000 1.197 759 R CB -0.162 30.094 30.300 -0.073 0.000 1.109 759 R HN 0.233 nan 8.270 nan 0.000 0.535 760 P HA -0.035 nan 4.420 nan 0.000 0.266 760 P C 0.604 177.959 177.300 0.091 0.000 1.195 760 P CA 0.920 64.068 63.100 0.080 0.000 0.768 760 P CB 0.509 32.245 31.700 0.060 0.000 0.838 761 G N 2.490 111.365 108.800 0.126 0.000 2.304 761 G HA2 -0.293 3.660 3.960 -0.013 0.000 0.252 761 G HA3 -0.293 3.660 3.960 -0.013 0.000 0.252 761 G C 1.278 176.242 174.900 0.107 0.000 1.014 761 G CA 0.127 45.314 45.100 0.146 0.000 0.619 761 G HN 0.467 nan 8.290 nan 0.000 0.525 762 K N -0.289 120.170 120.400 0.098 0.000 2.186 762 K HA 0.271 4.583 4.320 -0.013 0.000 0.202 762 K C 1.935 178.709 176.600 0.291 0.000 1.052 762 K CA 0.707 57.072 56.287 0.130 0.000 0.965 762 K CB -0.371 32.039 32.500 -0.150 0.000 0.746 762 K HN 0.403 nan 8.250 nan 0.000 0.457 763 F N 2.339 122.164 119.950 -0.208 0.000 2.102 763 F HA -0.138 4.381 4.527 -0.013 0.000 0.298 763 F C 2.144 177.822 175.800 -0.203 0.000 1.105 763 F CA 0.952 58.555 58.000 -0.662 0.000 1.239 763 F CB -0.789 37.658 39.000 -0.921 0.000 0.991 763 F HN -0.002 nan 8.300 nan 0.000 0.474 764 A N -0.303 122.498 122.820 -0.032 0.000 1.933 764 A HA -0.243 4.069 4.320 -0.013 0.000 0.218 764 A C 2.288 179.926 177.584 0.090 0.000 1.175 764 A CA 1.761 53.757 52.037 -0.068 0.000 0.628 764 A CB -0.969 17.962 19.000 -0.114 0.000 0.814 764 A HN 0.538 nan 8.150 nan 0.000 0.444 765 E N -1.197 119.107 120.200 0.172 0.000 2.051 765 E HA -0.215 4.128 4.350 -0.013 0.000 0.192 765 E C 1.811 178.524 176.600 0.189 0.000 0.991 765 E CA 1.408 57.922 56.400 0.190 0.000 0.799 765 E CB -0.307 29.547 29.700 0.257 0.000 0.748 765 E HN 0.582 nan 8.360 nan 0.000 0.449 766 F N 1.933 121.991 119.950 0.179 0.000 2.161 766 F HA -0.204 4.315 4.527 -0.013 0.000 0.300 766 F C 1.802 177.546 175.800 -0.093 0.000 1.089 766 F CA 2.254 60.277 58.000 0.038 0.000 1.282 766 F CB -0.412 38.704 39.000 0.193 0.000 1.010 766 F HN 0.105 nan 8.300 nan 0.000 0.485 767 D N -0.835 119.520 120.400 -0.074 0.000 2.117 767 D HA -0.198 4.434 4.640 -0.013 0.000 0.198 767 D C 2.145 178.319 176.300 -0.210 0.000 0.982 767 D CA 1.214 55.133 54.000 -0.134 0.000 0.828 767 D CB -0.042 40.792 40.800 0.057 0.000 0.967 767 D HN 0.229 nan 8.370 nan 0.000 0.464 768 Q N 0.223 119.950 119.800 -0.123 0.000 2.030 768 Q HA -0.144 4.188 4.340 -0.013 0.000 0.204 768 Q C 2.597 178.495 176.000 -0.171 0.000 0.986 768 Q CA 0.959 56.697 55.803 -0.108 0.000 0.843 768 Q CB -0.501 28.216 28.738 -0.035 0.000 0.904 768 Q HN 0.509 nan 8.270 nan 0.000 0.420 769 I N 0.454 120.903 120.570 -0.201 0.000 2.185 769 I HA -0.326 3.836 4.170 -0.013 0.000 0.246 769 I C 2.185 178.104 176.117 -0.331 0.000 1.088 769 I CA 1.087 62.248 61.300 -0.233 0.000 1.347 769 I CB -0.305 37.539 38.000 -0.259 0.000 1.041 769 I HN 0.221 nan 8.210 nan 0.000 0.415 770 M N 0.054 119.327 119.600 -0.545 0.000 2.374 770 M HA -0.145 4.328 4.480 -0.013 0.000 0.264 770 M C 1.810 177.761 176.300 -0.583 0.000 1.067 770 M CA 1.638 56.561 55.300 -0.629 0.000 1.103 770 M CB -0.875 31.194 32.600 -0.885 0.000 1.402 770 M HN 0.170 nan 8.290 nan 0.000 0.444 771 K N -0.086 120.057 120.400 -0.428 0.000 2.374 771 K HA 0.084 4.396 4.320 -0.013 0.000 0.196 771 K C 0.952 177.512 176.600 -0.066 0.000 1.023 771 K CA -0.154 55.977 56.287 -0.260 0.000 1.103 771 K CB 0.434 32.833 32.500 -0.168 0.000 0.848 771 K HN 0.284 nan 8.250 nan 0.000 0.528 772 S N 0.344 115.995 115.700 -0.081 0.000 2.632 772 S HA 0.020 4.483 4.470 -0.013 0.000 0.267 772 S C 0.144 174.759 174.600 0.024 0.000 1.193 772 S CA -0.836 57.351 58.200 -0.022 0.000 1.003 772 S CB 0.491 63.675 63.200 -0.027 0.000 1.073 772 S HN 0.138 nan 8.310 nan 0.000 0.553 773 D N 1.661 122.084 120.400 0.038 0.000 2.518 773 D HA 0.139 4.772 4.640 -0.013 0.000 0.270 773 D C -1.588 174.756 176.300 0.074 0.000 1.338 773 D CA -1.406 52.628 54.000 0.057 0.000 0.983 773 D CB 0.296 41.129 40.800 0.056 0.000 1.126 773 D HN 0.146 nan 8.370 nan 0.000 0.543 774 P HA -0.153 nan 4.420 nan 0.000 0.218 774 P C 0.629 177.957 177.300 0.047 0.000 1.146 774 P CA 0.927 64.066 63.100 0.065 0.000 0.820 774 P CB 0.284 32.023 31.700 0.065 0.000 0.778 775 D N -2.433 118.000 120.400 0.055 0.000 2.110 775 D HA -0.131 4.501 4.640 -0.013 0.000 0.202 775 D C 1.878 178.211 176.300 0.055 0.000 0.975 775 D CA 1.137 55.165 54.000 0.048 0.000 0.839 775 D CB -0.998 39.831 40.800 0.048 0.000 0.996 775 D HN 0.265 nan 8.370 nan 0.000 0.464 776 H N 0.586 119.651 119.070 -0.008 0.000 2.422 776 H HA -0.064 4.485 4.556 -0.013 0.000 0.298 776 H C 2.077 177.392 175.328 -0.023 0.000 1.098 776 H CA 1.155 57.194 56.048 -0.016 0.000 1.315 776 H CB -0.448 29.301 29.762 -0.022 0.000 1.382 776 H HN 0.074 nan 8.280 nan 0.000 0.523 777 L N -0.239 120.905 121.223 -0.133 0.000 1.994 777 L HA -0.087 4.245 4.340 -0.013 0.000 0.208 777 L C 2.616 179.399 176.870 -0.146 0.000 1.071 777 L CA 1.579 56.312 54.840 -0.177 0.000 0.745 777 L CB -0.737 41.292 42.059 -0.050 0.000 0.892 777 L HN 0.431 nan 8.230 nan 0.000 0.431 778 A N -1.033 121.746 122.820 -0.069 0.000 1.972 778 A HA -0.185 4.128 4.320 -0.013 0.000 0.219 778 A C 2.137 179.684 177.584 -0.062 0.000 1.169 778 A CA 1.483 53.495 52.037 -0.042 0.000 0.635 778 A CB -0.474 18.522 19.000 -0.005 0.000 0.810 778 A HN 0.479 nan 8.150 nan 0.000 0.446 779 E N 0.248 120.394 120.200 -0.089 0.000 2.031 779 E HA -0.174 4.169 4.350 -0.013 0.000 0.193 779 E C 2.087 178.615 176.600 -0.120 0.000 0.994 779 E CA 1.112 57.461 56.400 -0.085 0.000 0.800 779 E CB -0.552 29.109 29.700 -0.065 0.000 0.752 779 E HN 0.672 nan 8.360 nan 0.000 0.447 780 L N 0.688 121.775 121.223 -0.226 0.000 2.051 780 L HA -0.233 4.099 4.340 -0.013 0.000 0.214 780 L C 2.608 179.398 176.870 -0.134 0.000 1.076 780 L CA 1.026 55.740 54.840 -0.209 0.000 0.758 780 L CB -0.722 41.157 42.059 -0.301 0.000 0.890 780 L HN 0.022 nan 8.230 nan 0.000 0.433 781 V N -0.145 119.701 119.914 -0.113 0.000 2.324 781 V HA -0.336 3.777 4.120 -0.013 0.000 0.250 781 V C 2.474 178.556 176.094 -0.020 0.000 1.060 781 V CA 1.901 64.163 62.300 -0.062 0.000 1.042 781 V CB -0.655 31.147 31.823 -0.036 0.000 0.650 781 V HN 0.457 nan 8.190 nan 0.000 0.450 782 K N -0.176 120.213 120.400 -0.018 0.000 2.074 782 K HA -0.220 4.092 4.320 -0.013 0.000 0.209 782 K C 2.375 178.988 176.600 0.021 0.000 1.048 782 K CA 1.503 57.796 56.287 0.010 0.000 0.926 782 K CB -0.303 32.199 32.500 0.004 0.000 0.713 782 K HN 0.282 nan 8.250 nan 0.000 0.444 783 R N 0.979 121.476 120.500 -0.005 0.000 2.293 783 R HA -0.074 4.258 4.340 -0.013 0.000 0.219 783 R C 1.234 177.551 176.300 0.028 0.000 1.091 783 R CA 0.757 56.858 56.100 0.002 0.000 1.004 783 R CB 0.185 30.466 30.300 -0.032 0.000 0.865 783 R HN 0.029 nan 8.270 nan 0.000 0.469 784 V N 0.722 120.655 119.914 0.032 0.000 3.621 784 V HA -0.009 4.103 4.120 -0.013 0.000 0.285 784 V C 1.265 177.485 176.094 0.211 0.000 1.346 784 V CA 0.315 62.660 62.300 0.075 0.000 1.104 784 V CB 0.172 31.971 31.823 -0.040 0.000 0.913 784 V HN 0.306 nan 8.190 nan 0.000 0.432 785 N N 0.766 119.564 118.700 0.164 0.000 2.120 785 N HA -0.207 4.525 4.740 -0.013 0.000 0.188 785 N C 1.805 177.432 175.510 0.195 0.000 1.024 785 N CA 1.823 54.972 53.050 0.164 0.000 0.852 785 N CB -0.154 38.403 38.487 0.118 0.000 1.003 785 N HN 0.671 nan 8.380 nan 0.000 0.424 786 H N -1.358 117.792 119.070 0.133 0.000 2.293 786 H HA -0.152 4.397 4.556 -0.013 0.000 0.300 786 H C 1.873 177.298 175.328 0.161 0.000 1.082 786 H CA 2.352 58.476 56.048 0.127 0.000 1.308 786 H CB -0.702 29.124 29.762 0.106 0.000 1.375 786 H HN 0.455 nan 8.280 nan 0.000 0.495 787 W N 0.529 121.841 121.300 0.020 0.000 2.305 787 W HA -0.287 4.366 4.660 -0.013 0.000 0.308 787 W C 2.198 178.677 176.519 -0.067 0.000 1.226 787 W CA 1.938 59.259 57.345 -0.041 0.000 1.253 787 W CB -0.552 28.910 29.460 0.004 0.000 1.146 787 W HN 0.395 nan 8.180 nan 0.000 0.507 788 L N 0.749 122.115 121.223 0.238 0.000 2.056 788 L HA -0.122 4.211 4.340 -0.013 0.000 0.207 788 L C 2.236 179.017 176.870 -0.147 0.000 1.078 788 L CA 2.036 56.898 54.840 0.037 0.000 0.749 788 L CB -0.959 41.230 42.059 0.217 0.000 0.901 788 L HN 0.127 nan 8.230 nan 0.000 0.433 789 I N -1.370 119.154 120.570 -0.077 0.000 2.179 789 I HA -0.346 3.817 4.170 -0.013 0.000 0.242 789 I C 2.455 178.552 176.117 -0.033 0.000 1.088 789 I CA 1.336 62.607 61.300 -0.047 0.000 1.357 789 I CB -0.490 37.523 38.000 0.023 0.000 1.051 789 I HN 0.340 nan 8.210 nan 0.000 0.409 790 C N -0.021 119.168 119.300 -0.185 0.000 2.422 790 C HA -0.109 4.343 4.460 -0.013 0.000 0.279 790 C C 3.114 177.979 174.990 -0.208 0.000 1.305 790 C CA 1.039 59.954 59.018 -0.172 0.000 1.757 790 C CB -1.046 26.495 27.740 -0.332 0.000 1.962 790 C HN 0.486 nan 8.230 nan 0.000 0.499 791 S N 0.372 115.803 115.700 -0.447 0.000 2.371 791 S HA -0.104 4.358 4.470 -0.013 0.000 0.224 791 S C 1.980 176.430 174.600 -0.250 0.000 1.029 791 S CA 0.960 58.854 58.200 -0.510 0.000 0.978 791 S CB -0.249 62.382 63.200 -0.948 0.000 0.833 791 S HN 0.613 nan 8.310 nan 0.000 0.466 792 R N -0.037 120.345 120.500 -0.197 0.000 2.083 792 R HA -0.120 4.212 4.340 -0.013 0.000 0.237 792 R C 2.121 178.362 176.300 -0.098 0.000 1.137 792 R CA 1.743 57.753 56.100 -0.150 0.000 0.951 792 R CB -0.326 29.863 30.300 -0.185 0.000 0.851 792 R HN 0.443 nan 8.270 nan 0.000 0.434 793 W N 1.203 122.440 121.300 -0.105 0.000 2.333 793 W HA -0.171 4.481 4.660 -0.013 0.000 0.316 793 W C 2.327 178.838 176.519 -0.012 0.000 1.215 793 W CA 1.130 58.439 57.345 -0.060 0.000 1.278 793 W CB -0.059 29.361 29.460 -0.067 0.000 1.154 793 W HN 0.026 nan 8.180 nan 0.000 0.486 794 K N 0.176 120.729 120.400 0.255 0.000 2.097 794 K HA -0.199 4.113 4.320 -0.013 0.000 0.206 794 K C 1.920 178.699 176.600 0.298 0.000 1.049 794 K CA 1.296 57.769 56.287 0.311 0.000 0.933 794 K CB -0.341 32.251 32.500 0.154 0.000 0.717 794 K HN 0.095 nan 8.250 nan 0.000 0.442 795 K N 0.905 121.367 120.400 0.103 0.000 2.020 795 K HA -0.181 4.132 4.320 -0.013 0.000 0.212 795 K C 2.110 178.768 176.600 0.097 0.000 1.050 795 K CA 1.998 58.320 56.287 0.058 0.000 0.929 795 K CB -0.099 32.385 32.500 -0.025 0.000 0.714 795 K HN 0.128 nan 8.250 nan 0.000 0.443 796 V N -1.526 118.429 119.914 0.067 0.000 2.591 796 V HA -0.155 3.957 4.120 -0.013 0.000 0.249 796 V C 1.942 178.088 176.094 0.087 0.000 1.053 796 V CA 1.188 63.516 62.300 0.047 0.000 1.068 796 V CB -0.585 31.224 31.823 -0.024 0.000 0.689 796 V HN 0.300 nan 8.190 nan 0.000 0.462 797 Q N -0.617 119.272 119.800 0.148 0.000 2.046 797 Q HA -0.150 4.182 4.340 -0.013 0.000 0.200 797 Q C 1.964 177.943 176.000 -0.034 0.000 0.975 797 Q CA 2.387 58.231 55.803 0.068 0.000 0.836 797 Q CB -0.258 28.526 28.738 0.077 0.000 0.896 797 Q HN 0.804 nan 8.270 nan 0.000 0.428 798 W N -0.587 120.719 121.300 0.010 0.000 2.518 798 W HA -0.089 4.564 4.660 -0.013 0.000 0.273 798 W C 2.405 178.919 176.519 -0.009 0.000 1.247 798 W CA 0.141 57.482 57.345 -0.006 0.000 1.288 798 W CB -0.628 28.821 29.460 -0.018 0.000 1.107 798 W HN 0.259 nan 8.180 nan 0.000 0.586 799 C N -0.579 118.826 119.300 0.175 0.000 2.446 799 C HA -0.162 4.291 4.460 -0.013 0.000 0.277 799 C C 3.101 178.118 174.990 0.045 0.000 1.275 799 C CA 1.887 60.961 59.018 0.092 0.000 1.727 799 C CB -1.378 26.398 27.740 0.061 0.000 2.010 799 C HN 0.316 nan 8.230 nan 0.000 0.486 800 S N 0.062 115.776 115.700 0.023 0.000 2.359 800 S HA -0.205 4.257 4.470 -0.013 0.000 0.224 800 S C 1.848 176.430 174.600 -0.029 0.000 1.035 800 S CA 1.860 60.055 58.200 -0.008 0.000 1.018 800 S CB -0.603 62.587 63.200 -0.017 0.000 0.876 800 S HN 0.630 nan 8.310 nan 0.000 0.448 801 L N 1.677 122.863 121.223 -0.062 0.000 2.083 801 L HA 0.002 4.334 4.340 -0.013 0.000 0.209 801 L C 2.342 179.199 176.870 -0.022 0.000 1.083 801 L CA 2.149 56.934 54.840 -0.092 0.000 0.752 801 L CB -1.121 40.803 42.059 -0.225 0.000 0.899 801 L HN 0.275 nan 8.230 nan 0.000 0.433 802 S N -1.056 114.662 115.700 0.030 0.000 2.348 802 S HA -0.176 4.286 4.470 -0.013 0.000 0.221 802 S C 1.983 176.593 174.600 0.016 0.000 1.033 802 S CA 1.488 59.713 58.200 0.041 0.000 1.010 802 S CB -0.582 62.655 63.200 0.063 0.000 0.891 802 S HN 0.348 nan 8.310 nan 0.000 0.442 803 V N 2.059 121.980 119.914 0.012 0.000 2.332 803 V HA -0.190 3.922 4.120 -0.013 0.000 0.248 803 V C 2.042 178.135 176.094 -0.003 0.000 1.055 803 V CA 1.611 63.914 62.300 0.005 0.000 1.038 803 V CB -0.662 31.163 31.823 0.003 0.000 0.651 803 V HN 0.444 nan 8.190 nan 0.000 0.450 804 I N -0.727 119.836 120.570 -0.012 0.000 2.394 804 I HA -0.227 3.935 4.170 -0.013 0.000 0.251 804 I C 2.473 178.580 176.117 -0.016 0.000 1.136 804 I CA 1.492 62.781 61.300 -0.018 0.000 1.425 804 I CB -0.315 37.665 38.000 -0.034 0.000 1.079 804 I HN 0.264 nan 8.210 nan 0.000 0.425 805 K N 0.536 120.926 120.400 -0.017 0.000 2.103 805 K HA -0.056 4.257 4.320 -0.013 0.000 0.204 805 K C 2.078 178.669 176.600 -0.015 0.000 1.052 805 K CA 1.068 57.343 56.287 -0.020 0.000 0.945 805 K CB -0.060 32.430 32.500 -0.017 0.000 0.722 805 K HN 0.258 nan 8.250 nan 0.000 0.443 806 L N 1.407 122.627 121.223 -0.004 0.000 2.046 806 L HA -0.188 4.145 4.340 -0.013 0.000 0.208 806 L C 2.622 179.497 176.870 0.008 0.000 1.077 806 L CA 1.267 56.109 54.840 0.002 0.000 0.747 806 L CB -0.443 41.620 42.059 0.007 0.000 0.896 806 L HN 0.186 nan 8.230 nan 0.000 0.432 807 K N 0.330 120.734 120.400 0.007 0.000 2.057 807 K HA -0.198 4.114 4.320 -0.013 0.000 0.207 807 K C 1.757 178.370 176.600 0.021 0.000 1.049 807 K CA 1.708 58.002 56.287 0.012 0.000 0.931 807 K CB -0.085 32.419 32.500 0.006 0.000 0.714 807 K HN 0.284 nan 8.250 nan 0.000 0.440 808 N N 1.040 119.748 118.700 0.014 0.000 2.381 808 N HA -0.112 4.620 4.740 -0.013 0.000 0.182 808 N C 1.556 177.098 175.510 0.054 0.000 1.025 808 N CA 0.678 53.745 53.050 0.027 0.000 0.888 808 N CB -0.002 38.489 38.487 0.006 0.000 0.965 808 N HN 0.214 nan 8.380 nan 0.000 0.438 809 K N 1.298 121.715 120.400 0.028 0.000 2.031 809 K HA 0.109 4.421 4.320 -0.013 0.000 0.205 809 K C 2.016 178.685 176.600 0.114 0.000 1.049 809 K CA 0.328 56.641 56.287 0.043 0.000 0.939 809 K CB -0.238 32.258 32.500 -0.006 0.000 0.717 809 K HN 0.145 nan 8.250 nan 0.000 0.438 810 I N 0.991 121.604 120.570 0.072 0.000 2.208 810 I HA -0.310 3.853 4.170 -0.013 0.000 0.245 810 I C 2.516 178.677 176.117 0.075 0.000 1.097 810 I CA 1.362 62.702 61.300 0.065 0.000 1.363 810 I CB -0.144 37.879 38.000 0.039 0.000 1.051 810 I HN 0.148 nan 8.210 nan 0.000 0.413 811 K N -0.045 120.402 120.400 0.080 0.000 2.155 811 K HA -0.211 4.101 4.320 -0.013 0.000 0.203 811 K C 2.264 178.919 176.600 0.092 0.000 1.052 811 K CA 0.981 57.308 56.287 0.067 0.000 0.948 811 K CB -0.183 32.350 32.500 0.056 0.000 0.728 811 K HN 0.171 nan 8.250 nan 0.000 0.448 812 Y N 1.587 121.886 120.300 -0.001 0.000 2.081 812 Y HA -0.253 4.290 4.550 -0.013 0.000 0.280 812 Y C 1.830 177.730 175.900 -0.000 0.000 1.163 812 Y CA 1.909 60.009 58.100 -0.001 0.000 1.135 812 Y CB 0.042 38.502 38.460 -0.000 0.000 0.970 812 Y HN -0.018 nan 8.280 nan 0.000 0.498 813 R N -0.072 120.512 120.500 0.139 0.000 2.189 813 R HA -0.050 4.282 4.340 -0.013 0.000 0.223 813 R C 2.136 178.424 176.300 -0.021 0.000 1.092 813 R CA 0.565 56.693 56.100 0.047 0.000 0.989 813 R CB -0.398 29.961 30.300 0.098 0.000 0.876 813 R HN 0.420 nan 8.270 nan 0.000 0.457 814 A N 1.536 124.349 122.820 -0.012 0.000 2.028 814 A HA -0.031 4.281 4.320 -0.013 0.000 0.213 814 A C 0.667 178.219 177.584 -0.053 0.000 1.486 814 A CA 0.541 52.565 52.037 -0.022 0.000 0.597 814 A CB -0.318 18.680 19.000 -0.004 0.000 1.089 814 A HN 0.122 nan 8.150 nan 0.000 0.489 815 E N 0.000 120.169 120.200 -0.052 0.000 2.725 815 E HA 0.000 4.342 4.350 -0.013 0.000 0.291 815 E CA 0.000 56.360 56.400 -0.067 0.000 0.976 815 E CB 0.000 29.675 29.700 -0.041 0.000 0.812 815 E HN 0.000 nan 8.360 nan 0.000 0.440