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 2vb6_1_A DATA FIRST_RESID 4 DATA SEQUENCE GKPVWAPHPT DGFQVGNIVD IGPDSLTIEP LNQKGKTFLA 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 LXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXPLLDD HGDFIRMCTA MKKIGLDDEE KLDLFRVVAG VLHLGNIDFX DATA SEQUENCE XXXXXXXXXX XXXXSTQALE YCAELLGLDQ DDLRVSLTTX XXXXXXXXXX DATA SEQUENCE XXXXXXPLKV EQANNARDAL AKTVYSHLFD HVVNRVNQCF PFETSSYFIG DATA SEQUENCE VLDIAGFEYF EHNSFEQFCI NYCNEKLQQF FNERILKEEQ ELYQKEGLGX DATA SEQUENCE XXXXYVDNQD CIDLIEARLV GILDILDEEN RLPQPSDQHF TSAVHQKHKD DATA SEQUENCE HFRLSIPRKS KLAIHRNIRD DEGFIIRHFA GAVCYETTQF VEKNNDALHM DATA SEQUENCE SLESLICESR DKFIRELFEX 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 A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 4 G C 0.000 174.861 174.900 -0.065 0.000 0.946 4 G CA 0.000 45.068 45.100 -0.054 0.000 0.502 5 K N 1.400 121.756 120.400 -0.073 0.000 2.270 5 K HA 0.430 4.751 4.320 0.001 0.000 0.276 5 K C -2.233 174.294 176.600 -0.122 0.000 1.023 5 K CA -1.109 55.123 56.287 -0.091 0.000 0.955 5 K CB 1.030 33.477 32.500 -0.088 0.000 0.975 5 K HN 0.119 nan 8.250 nan 0.000 0.471 6 P HA -0.041 nan 4.420 nan 0.000 0.268 6 P C -0.942 176.202 177.300 -0.261 0.000 1.208 6 P CA -0.315 62.663 63.100 -0.202 0.000 0.777 6 P CB 0.591 32.143 31.700 -0.247 0.000 0.875 7 V N -1.999 117.755 119.914 -0.267 0.000 3.160 7 V HA 0.601 4.721 4.120 0.001 0.000 0.310 7 V C -1.460 174.502 176.094 -0.220 0.000 1.181 7 V CA -1.320 60.839 62.300 -0.235 0.000 1.047 7 V CB 1.628 33.388 31.823 -0.104 0.000 1.068 7 V HN 0.424 nan 8.190 nan 0.000 0.441 8 W N 0.945 122.270 121.300 0.042 0.000 2.365 8 W HA 0.825 5.485 4.660 0.001 0.000 0.316 8 W C 0.260 176.971 176.519 0.320 0.000 1.164 8 W CA 0.209 57.637 57.345 0.138 0.000 1.204 8 W CB 1.767 31.201 29.460 -0.042 0.000 1.213 8 W HN 1.030 nan 8.180 nan 0.000 0.539 9 A N 4.409 127.692 122.820 0.772 0.000 2.515 9 A HA 0.785 5.105 4.320 0.001 0.000 0.296 9 A C -2.799 175.226 177.584 0.735 0.000 1.094 9 A CA -1.988 50.473 52.037 0.707 0.000 0.718 9 A CB 1.156 20.436 19.000 0.467 0.000 1.307 9 A HN 0.344 nan 8.150 nan 0.000 0.408 10 P HA 0.151 nan 4.420 nan 0.000 0.266 10 P C -0.875 176.448 177.300 0.039 0.000 1.193 10 P CA 0.611 63.723 63.100 0.021 0.000 0.770 10 P CB 0.218 31.934 31.700 0.026 0.000 0.836 11 H N 3.884 122.851 119.070 -0.171 0.000 2.877 11 H HA 0.211 4.767 4.556 0.001 0.000 0.347 11 H C -2.072 173.159 175.328 -0.162 0.000 1.042 11 H CA -2.144 53.817 56.048 -0.146 0.000 1.276 11 H CB 2.219 31.965 29.762 -0.027 0.000 1.681 11 H HN 0.210 nan 8.280 nan 0.000 0.521 12 P HA -0.103 nan 4.420 nan 0.000 0.220 12 P C 1.042 178.342 177.300 0.000 0.000 1.148 12 P CA 1.469 64.481 63.100 -0.147 0.000 0.803 12 P CB 0.366 31.933 31.700 -0.220 0.000 0.782 13 T N -5.844 108.833 114.554 0.205 0.000 2.969 13 T HA 0.132 4.482 4.350 0.001 0.000 0.250 13 T C 1.199 175.956 174.700 0.096 0.000 1.021 13 T CA 0.052 62.232 62.100 0.134 0.000 1.003 13 T CB -0.399 68.534 68.868 0.109 0.000 1.040 13 T HN -0.156 nan 8.240 nan 0.000 0.492 14 D N 1.108 121.585 120.400 0.129 0.000 2.350 14 D HA 0.291 4.932 4.640 0.001 0.000 0.213 14 D C 1.898 178.214 176.300 0.026 0.000 1.031 14 D CA 0.996 54.972 54.000 -0.040 0.000 0.861 14 D CB 0.272 40.891 40.800 -0.303 0.000 0.926 14 D HN 0.596 nan 8.370 nan 0.000 0.520 15 G N 0.566 109.366 108.800 0.000 0.000 4.148 15 G HA2 -0.310 3.650 3.960 0.001 0.000 0.221 15 G HA3 -0.310 3.650 3.960 0.001 0.000 0.221 15 G C 0.248 174.888 174.900 -0.433 0.000 1.373 15 G CA 0.331 45.324 45.100 -0.180 0.000 0.940 15 G HN 0.336 nan 8.290 nan 0.000 0.610 16 F N 1.578 121.591 119.950 0.106 0.000 2.588 16 F HA 0.699 5.227 4.527 0.001 0.000 0.314 16 F C 0.245 176.239 175.800 0.323 0.000 1.069 16 F CA -0.278 57.848 58.000 0.209 0.000 0.931 16 F CB 2.223 41.258 39.000 0.057 0.000 1.260 16 F HN 0.570 nan 8.300 nan 0.000 0.465 17 Q N 0.250 120.486 119.800 0.727 0.000 2.456 17 Q HA 0.735 5.075 4.340 0.001 0.000 0.284 17 Q C -1.969 174.348 176.000 0.528 0.000 1.061 17 Q CA -1.161 54.988 55.803 0.576 0.000 0.799 17 Q CB 2.360 31.361 28.738 0.438 0.000 1.445 17 Q HN 0.396 nan 8.270 nan 0.000 0.411 18 V N 1.079 121.117 119.914 0.207 0.000 2.614 18 V HA 0.705 4.825 4.120 0.001 0.000 0.291 18 V C 0.521 176.634 176.094 0.032 0.000 1.049 18 V CA 0.865 63.096 62.300 -0.116 0.000 1.038 18 V CB 0.741 32.391 31.823 -0.288 0.000 0.980 18 V HN 0.912 nan 8.190 nan 0.000 0.481 19 G N 3.681 112.470 108.800 -0.018 0.000 2.606 19 G HA2 0.535 4.496 3.960 0.001 0.000 0.300 19 G HA3 0.535 4.496 3.960 0.001 0.000 0.300 19 G C -1.658 173.206 174.900 -0.060 0.000 1.360 19 G CA -0.916 44.190 45.100 0.010 0.000 0.783 19 G HN 0.608 nan 8.290 nan 0.000 0.484 20 N N -1.011 117.650 118.700 -0.064 0.000 2.269 20 N HA 0.545 5.285 4.740 0.001 0.000 0.304 20 N C -0.554 174.897 175.510 -0.099 0.000 1.072 20 N CA -0.659 52.341 53.050 -0.082 0.000 0.802 20 N CB 2.505 40.950 38.487 -0.069 0.000 1.348 20 N HN 0.412 nan 8.380 nan 0.000 0.484 21 I N 1.982 122.493 120.570 -0.097 0.000 2.436 21 I HA 0.019 4.190 4.170 0.001 0.000 0.289 21 I C 1.204 177.268 176.117 -0.087 0.000 1.083 21 I CA -0.219 61.019 61.300 -0.103 0.000 1.372 21 I CB 0.422 38.367 38.000 -0.091 0.000 1.408 21 I HN 0.496 nan 8.210 nan 0.000 0.516 22 V N 0.618 120.476 119.914 -0.093 0.000 3.643 22 V HA 0.404 4.524 4.120 0.001 0.000 0.280 22 V C 0.015 176.071 176.094 -0.063 0.000 1.351 22 V CA 0.357 62.614 62.300 -0.072 0.000 1.073 22 V CB 0.123 31.906 31.823 -0.067 0.000 0.863 22 V HN 0.768 nan 8.190 nan 0.000 0.436 23 D N -0.850 119.507 120.400 -0.072 0.000 2.706 23 D HA 0.528 5.169 4.640 0.001 0.000 0.227 23 D C -1.477 174.785 176.300 -0.063 0.000 1.233 23 D CA -0.286 53.678 54.000 -0.059 0.000 0.768 23 D CB 2.110 42.879 40.800 -0.052 0.000 1.490 23 D HN 0.177 nan 8.370 nan 0.000 0.458 24 I N 1.739 122.278 120.570 -0.050 0.000 2.433 24 I HA 0.708 4.878 4.170 0.001 0.000 0.292 24 I C 0.918 177.012 176.117 -0.038 0.000 1.001 24 I CA -0.595 60.677 61.300 -0.047 0.000 1.119 24 I CB 2.001 39.976 38.000 -0.043 0.000 1.289 24 I HN 0.346 nan 8.210 nan 0.000 0.438 25 G N 5.128 113.906 108.800 -0.037 0.000 2.735 25 G HA2 0.561 4.522 3.960 0.001 0.000 0.301 25 G HA3 0.561 4.522 3.960 0.001 0.000 0.301 25 G C -1.968 172.918 174.900 -0.024 0.000 1.279 25 G CA -0.960 44.124 45.100 -0.027 0.000 1.019 25 G HN 0.421 nan 8.290 nan 0.000 0.497 26 P HA 0.086 nan 4.420 nan 0.000 0.227 26 P C 0.108 177.400 177.300 -0.014 0.000 1.161 26 P CA 0.919 64.010 63.100 -0.015 0.000 0.788 26 P CB 0.685 32.378 31.700 -0.010 0.000 0.822 27 D N -0.664 119.728 120.400 -0.013 0.000 2.514 27 D HA 0.049 4.690 4.640 0.001 0.000 0.249 27 D C 0.776 177.069 176.300 -0.013 0.000 1.036 27 D CA 0.788 54.783 54.000 -0.009 0.000 0.911 27 D CB 0.446 41.244 40.800 -0.002 0.000 1.145 27 D HN 0.229 nan 8.370 nan 0.000 0.495 28 S N -0.299 115.390 115.700 -0.017 0.000 2.569 28 S HA 0.690 5.160 4.470 0.001 0.000 0.280 28 S C -0.770 173.806 174.600 -0.040 0.000 1.111 28 S CA -0.916 57.271 58.200 -0.022 0.000 0.887 28 S CB 1.877 65.073 63.200 -0.007 0.000 1.095 28 S HN -0.011 nan 8.310 nan 0.000 0.476 29 L N 1.386 122.574 121.223 -0.058 0.000 2.344 29 L HA 0.587 4.928 4.340 0.001 0.000 0.272 29 L C -0.011 176.784 176.870 -0.126 0.000 1.035 29 L CA -0.772 54.016 54.840 -0.086 0.000 0.807 29 L CB 1.860 43.862 42.059 -0.095 0.000 1.237 29 L HN 0.695 nan 8.230 nan 0.000 0.442 30 T N 3.322 117.795 114.554 -0.134 0.000 2.744 30 T HA 0.508 4.858 4.350 0.001 0.000 0.291 30 T C -0.169 174.379 174.700 -0.254 0.000 0.957 30 T CA -0.271 61.721 62.100 -0.179 0.000 1.002 30 T CB 0.629 69.429 68.868 -0.113 0.000 0.919 30 T HN 0.144 nan 8.240 nan 0.000 0.468 31 I N 3.009 123.303 120.570 -0.461 0.000 2.404 31 I HA 0.368 4.538 4.170 0.001 0.000 0.293 31 I C 0.406 176.276 176.117 -0.411 0.000 0.992 31 I CA -1.007 59.974 61.300 -0.531 0.000 1.149 31 I CB 1.647 39.111 38.000 -0.894 0.000 1.315 31 I HN 0.692 nan 8.210 nan 0.000 0.446 32 E N 7.985 128.079 120.200 -0.177 0.000 2.134 32 E HA 0.426 4.776 4.350 0.001 0.000 0.278 32 E C -2.494 174.130 176.600 0.041 0.000 0.959 32 E CA -1.837 54.539 56.400 -0.040 0.000 0.783 32 E CB 1.605 31.288 29.700 -0.027 0.000 1.095 32 E HN 0.235 nan 8.360 nan 0.000 0.399 33 P HA -0.027 nan 4.420 nan 0.000 0.269 33 P C -0.458 176.903 177.300 0.102 0.000 1.209 33 P CA -0.415 62.809 63.100 0.206 0.000 0.776 33 P CB 0.394 32.248 31.700 0.258 0.000 0.876 34 L N 3.733 125.002 121.223 0.076 0.000 2.601 34 L HA -0.076 4.265 4.340 0.001 0.000 0.277 34 L C 0.691 177.582 176.870 0.036 0.000 1.219 34 L CA 1.081 55.938 54.840 0.029 0.000 0.915 34 L CB -1.429 40.631 42.059 0.002 0.000 1.160 34 L HN 0.555 nan 8.230 nan 0.000 0.494 35 N N 1.233 119.946 118.700 0.020 0.000 2.955 35 N HA -0.261 4.479 4.740 0.001 0.000 0.230 35 N C -0.457 175.070 175.510 0.029 0.000 0.891 35 N CA 1.350 54.412 53.050 0.020 0.000 1.002 35 N CB -0.692 37.806 38.487 0.019 0.000 1.063 35 N HN 0.817 nan 8.380 nan 0.000 0.601 36 Q N 1.235 121.061 119.800 0.043 0.000 3.041 36 Q HA 0.168 4.509 4.340 0.001 0.000 0.372 36 Q C -0.299 175.726 176.000 0.042 0.000 1.241 36 Q CA -0.261 55.571 55.803 0.049 0.000 1.010 36 Q CB 0.636 29.417 28.738 0.072 0.000 1.467 36 Q HN 0.150 nan 8.270 nan 0.000 0.462 37 K N 0.259 120.675 120.400 0.026 0.000 2.524 37 K HA 0.020 4.341 4.320 0.001 0.000 0.279 37 K C 1.115 177.727 176.600 0.020 0.000 0.993 37 K CA 1.689 57.986 56.287 0.017 0.000 1.030 37 K CB 0.005 32.511 32.500 0.009 0.000 0.891 37 K HN 0.478 nan 8.250 nan 0.000 0.488 38 G N 2.684 111.494 108.800 0.018 0.000 2.299 38 G HA2 -0.293 3.668 3.960 0.001 0.000 0.237 38 G HA3 -0.293 3.668 3.960 0.001 0.000 0.237 38 G C -0.263 174.656 174.900 0.031 0.000 1.027 38 G CA 0.403 45.514 45.100 0.019 0.000 0.619 38 G HN 0.611 nan 8.290 nan 0.000 0.513 39 K N 2.324 122.752 120.400 0.047 0.000 2.258 39 K HA 0.612 4.932 4.320 0.001 0.000 0.284 39 K C 0.417 177.073 176.600 0.093 0.000 1.051 39 K CA 0.635 56.967 56.287 0.075 0.000 0.923 39 K CB 0.915 33.469 32.500 0.091 0.000 1.046 39 K HN 0.522 nan 8.250 nan 0.000 0.474 40 T N 0.604 115.219 114.554 0.102 0.000 2.906 40 T HA 0.798 5.149 4.350 0.001 0.000 0.295 40 T C -0.687 174.130 174.700 0.195 0.000 1.075 40 T CA -0.958 61.188 62.100 0.076 0.000 1.005 40 T CB 0.794 69.664 68.868 0.002 0.000 1.136 40 T HN 0.420 nan 8.240 nan 0.000 0.498 41 F N -0.527 119.424 119.950 0.002 0.000 2.686 41 F HA 0.793 5.320 4.527 0.001 0.000 0.311 41 F C -2.181 173.621 175.800 0.003 0.000 1.128 41 F CA -1.762 56.237 58.000 -0.001 0.000 0.946 41 F CB 1.135 40.130 39.000 -0.007 0.000 1.336 41 F HN 0.585 nan 8.300 nan 0.000 0.457 42 L N 2.200 123.507 121.223 0.141 0.000 2.334 42 L HA 0.900 5.241 4.340 0.001 0.000 0.275 42 L C -0.286 176.659 176.870 0.125 0.000 1.036 42 L CA -1.101 53.757 54.840 0.030 0.000 0.807 42 L CB 1.640 43.724 42.059 0.042 0.000 1.231 42 L HN 0.992 nan 8.230 nan 0.000 0.438 43 A N 3.062 125.900 122.820 0.031 0.000 2.486 43 A HA 0.659 4.980 4.320 0.001 0.000 0.300 43 A C -0.809 176.794 177.584 0.032 0.000 1.048 43 A CA -0.639 51.452 52.037 0.091 0.000 0.696 43 A CB 1.262 20.342 19.000 0.134 0.000 1.278 43 A HN 0.616 nan 8.150 nan 0.000 0.405 44 L N 2.763 124.011 121.223 0.042 0.000 2.485 44 L HA 0.068 4.409 4.340 0.001 0.000 0.275 44 L C 1.470 178.326 176.870 -0.023 0.000 1.207 44 L CA -0.088 54.759 54.840 0.012 0.000 0.855 44 L CB 0.218 42.291 42.059 0.025 0.000 1.114 44 L HN 0.788 nan 8.230 nan 0.000 0.485 45 I N 1.906 122.449 120.570 -0.044 0.000 2.236 45 I HA -0.339 3.832 4.170 0.001 0.000 0.249 45 I C 1.962 177.992 176.117 -0.145 0.000 1.102 45 I CA 1.591 62.841 61.300 -0.083 0.000 1.365 45 I CB -0.361 37.600 38.000 -0.064 0.000 1.051 45 I HN 0.887 nan 8.210 nan 0.000 0.420 46 N N 0.256 118.891 118.700 -0.110 0.000 2.521 46 N HA -0.147 4.593 4.740 0.001 0.000 0.188 46 N C 1.286 176.658 175.510 -0.230 0.000 1.146 46 N CA 0.715 53.677 53.050 -0.147 0.000 0.893 46 N CB -0.130 38.342 38.487 -0.025 0.000 0.975 46 N HN 0.387 nan 8.380 nan 0.000 0.451 47 Q N 0.071 119.763 119.800 -0.180 0.000 2.159 47 Q HA 0.306 4.647 4.340 0.001 0.000 0.217 47 Q C -0.773 175.222 176.000 -0.007 0.000 0.818 47 Q CA -0.070 55.742 55.803 0.015 0.000 1.008 47 Q CB 1.366 30.223 28.738 0.199 0.000 1.148 47 Q HN 0.164 nan 8.270 nan 0.000 0.491 48 V N 1.311 121.002 119.914 -0.372 0.000 2.495 48 V HA 0.522 4.642 4.120 0.001 0.000 0.298 48 V C -0.682 175.130 176.094 -0.470 0.000 1.031 48 V CA -0.503 61.692 62.300 -0.175 0.000 0.871 48 V CB 1.334 33.110 31.823 -0.077 0.000 0.988 48 V HN 0.010 nan 8.190 nan 0.000 0.432 49 F N 5.229 125.217 119.950 0.064 0.000 2.565 49 F HA 0.624 5.151 4.527 0.001 0.000 0.313 49 F C -2.238 173.537 175.800 -0.041 0.000 1.091 49 F CA -2.506 55.493 58.000 -0.001 0.000 0.915 49 F CB 2.400 41.369 39.000 -0.052 0.000 1.208 49 F HN 0.295 nan 8.300 nan 0.000 0.453 50 P HA 0.267 nan 4.420 nan 0.000 0.272 50 P C -1.171 176.049 177.300 -0.133 0.000 1.223 50 P CA -0.151 62.764 63.100 -0.309 0.000 0.784 50 P CB 1.055 32.210 31.700 -0.908 0.000 0.923 51 A N 2.054 124.752 122.820 -0.204 0.000 2.337 51 A HA 0.416 4.736 4.320 0.001 0.000 0.331 51 A C 0.086 177.733 177.584 0.104 0.000 1.137 51 A CA -0.691 51.315 52.037 -0.053 0.000 0.807 51 A CB 0.540 19.176 19.000 -0.606 0.000 1.250 51 A HN 0.461 nan 8.150 nan 0.000 0.468 52 E N 1.291 121.647 120.200 0.260 0.000 2.414 52 E HA -0.003 4.348 4.350 0.001 0.000 0.263 52 E C 0.516 177.172 176.600 0.094 0.000 1.000 52 E CA 0.143 56.681 56.400 0.231 0.000 0.914 52 E CB 0.684 30.518 29.700 0.224 0.000 0.948 52 E HN 0.740 nan 8.360 nan 0.000 0.444 53 E N 1.196 121.445 120.200 0.081 0.000 2.110 53 E HA -0.160 4.190 4.350 0.001 0.000 0.193 53 E C 0.201 176.811 176.600 0.017 0.000 0.988 53 E CA 0.768 57.181 56.400 0.022 0.000 0.804 53 E CB 0.189 29.901 29.700 0.019 0.000 0.745 53 E HN 0.319 nan 8.360 nan 0.000 0.458 54 D N 0.311 120.737 120.400 0.044 0.000 2.380 54 D HA 0.023 4.663 4.640 0.001 0.000 0.230 54 D C 0.457 176.820 176.300 0.106 0.000 1.154 54 D CA -0.130 53.904 54.000 0.056 0.000 0.859 54 D CB 0.895 41.725 40.800 0.050 0.000 1.045 54 D HN -0.080 nan 8.370 nan 0.000 0.495 55 S N 2.672 118.431 115.700 0.099 0.000 2.593 55 S HA 0.054 4.525 4.470 0.001 0.000 0.217 55 S C 1.281 176.050 174.600 0.282 0.000 0.966 55 S CA 0.054 58.368 58.200 0.190 0.000 0.914 55 S CB 0.357 63.587 63.200 0.050 0.000 0.776 55 S HN 0.198 nan 8.310 nan 0.000 0.523 56 K N 1.550 122.044 120.400 0.155 0.000 2.365 56 K HA 0.230 4.551 4.320 0.001 0.000 0.195 56 K C 0.403 177.046 176.600 0.071 0.000 1.079 56 K CA 0.268 56.616 56.287 0.102 0.000 0.979 56 K CB 0.124 32.660 32.500 0.061 0.000 0.929 56 K HN 0.597 nan 8.250 nan 0.000 0.523 57 K N 1.598 122.046 120.400 0.079 0.000 2.380 57 K HA 0.119 4.439 4.320 0.001 0.000 0.267 57 K C -0.554 176.077 176.600 0.053 0.000 0.990 57 K CA -0.083 56.239 56.287 0.059 0.000 0.946 57 K CB 0.430 32.966 32.500 0.061 0.000 0.937 57 K HN 0.053 nan 8.250 nan 0.000 0.491 58 D N -0.585 119.835 120.400 0.033 0.000 2.601 58 D HA 0.482 5.123 4.640 0.001 0.000 0.230 58 D C -1.074 175.255 176.300 0.047 0.000 1.106 58 D CA -1.173 52.842 54.000 0.025 0.000 0.873 58 D CB 1.787 42.582 40.800 -0.009 0.000 1.515 58 D HN 0.499 nan 8.370 nan 0.000 0.468 59 V N -1.250 118.700 119.914 0.061 0.000 2.735 59 V HA 0.469 4.589 4.120 0.001 0.000 0.310 59 V C 0.683 176.825 176.094 0.080 0.000 1.061 59 V CA -0.739 61.610 62.300 0.081 0.000 0.913 59 V CB 1.646 33.535 31.823 0.109 0.000 1.005 59 V HN 0.737 nan 8.190 nan 0.000 0.428 60 E N 1.048 121.304 120.200 0.093 0.000 2.150 60 E HA -0.066 4.285 4.350 0.001 0.000 0.193 60 E C 0.050 176.748 176.600 0.164 0.000 0.985 60 E CA 1.310 57.770 56.400 0.100 0.000 0.814 60 E CB 0.259 30.033 29.700 0.124 0.000 0.752 60 E HN 0.844 nan 8.360 nan 0.000 0.466 61 D N -0.302 120.213 120.400 0.191 0.000 2.492 61 D HA 0.097 4.737 4.640 0.001 0.000 0.248 61 D C 0.268 176.667 176.300 0.164 0.000 1.101 61 D CA -0.335 53.800 54.000 0.225 0.000 0.840 61 D CB 0.799 41.721 40.800 0.203 0.000 1.209 61 D HN -0.162 nan 8.370 nan 0.000 0.524 62 N N 2.085 120.881 118.700 0.160 0.000 2.348 62 N HA -0.122 4.619 4.740 0.001 0.000 0.185 62 N C 1.418 177.012 175.510 0.140 0.000 1.019 62 N CA 0.602 53.734 53.050 0.136 0.000 0.880 62 N CB 0.052 38.612 38.487 0.123 0.000 0.965 62 N HN 0.468 nan 8.380 nan 0.000 0.437 63 C N 0.338 119.719 119.300 0.136 0.000 2.466 63 C HA 0.051 4.512 4.460 0.001 0.000 0.283 63 C C 2.381 177.447 174.990 0.127 0.000 1.472 63 C CA 0.284 59.377 59.018 0.124 0.000 1.765 63 C CB -1.142 26.653 27.740 0.093 0.000 1.724 63 C HN 0.366 nan 8.230 nan 0.000 0.560 64 S N 0.379 116.169 115.700 0.149 0.000 2.558 64 S HA 0.184 4.654 4.470 0.001 0.000 0.217 64 S C 0.609 175.380 174.600 0.285 0.000 0.975 64 S CA 0.102 58.427 58.200 0.209 0.000 0.912 64 S CB -0.112 63.197 63.200 0.182 0.000 0.776 64 S HN 0.557 nan 8.310 nan 0.000 0.526 65 L N 1.200 122.550 121.223 0.212 0.000 2.461 65 L HA 0.181 4.522 4.340 0.001 0.000 0.272 65 L C 1.466 178.442 176.870 0.177 0.000 1.197 65 L CA -0.180 54.768 54.840 0.180 0.000 0.836 65 L CB 0.182 42.340 42.059 0.165 0.000 1.105 65 L HN 0.160 nan 8.230 nan 0.000 0.477 66 M N 1.528 121.123 119.600 -0.009 0.000 2.319 66 M HA -0.055 4.425 4.480 0.001 0.000 0.265 66 M C -0.584 175.460 176.300 -0.425 0.000 1.068 66 M CA 1.553 56.680 55.300 -0.288 0.000 1.118 66 M CB 0.178 32.374 32.600 -0.672 0.000 1.395 66 M HN 0.325 nan 8.290 nan 0.000 0.435 67 Y N -0.432 119.942 120.300 0.122 0.000 2.332 67 Y HA 0.476 5.027 4.550 0.001 0.000 0.326 67 Y C -0.979 174.989 175.900 0.115 0.000 0.978 67 Y CA -1.644 56.530 58.100 0.124 0.000 1.205 67 Y CB 0.807 39.341 38.460 0.122 0.000 1.131 67 Y HN -0.173 nan 8.280 nan 0.000 0.462 68 L N 6.253 127.615 121.223 0.233 0.000 2.272 68 L HA 0.520 4.861 4.340 0.001 0.000 0.284 68 L C -0.862 176.072 176.870 0.108 0.000 1.045 68 L CA -0.347 54.586 54.840 0.154 0.000 0.842 68 L CB -0.557 41.590 42.059 0.146 0.000 1.224 68 L HN 0.831 nan 8.230 nan 0.000 0.430 69 N N 0.848 119.551 118.700 0.005 0.000 2.902 69 N HA 0.307 5.047 4.740 0.001 0.000 0.268 69 N C 0.278 175.583 175.510 -0.343 0.000 1.450 69 N CA -0.302 52.646 53.050 -0.170 0.000 0.819 69 N CB 0.376 38.715 38.487 -0.247 0.000 1.540 69 N HN 0.399 nan 8.380 nan 0.000 0.545 70 E N -1.000 118.878 120.200 -0.536 0.000 2.153 70 E HA -0.183 4.167 4.350 0.001 0.000 0.194 70 E C 1.321 177.600 176.600 -0.535 0.000 0.988 70 E CA 1.351 57.514 56.400 -0.395 0.000 0.811 70 E CB -0.288 29.280 29.700 -0.219 0.000 0.746 70 E HN 0.566 nan 8.360 nan 0.000 0.466 71 A N 1.891 124.069 122.820 -1.071 0.000 1.874 71 A HA -0.129 4.191 4.320 0.001 0.000 0.214 71 A C 2.543 179.572 177.584 -0.926 0.000 1.189 71 A CA 1.943 53.184 52.037 -1.328 0.000 0.615 71 A CB -1.058 16.864 19.000 -1.796 0.000 0.830 71 A HN 0.470 nan 8.150 nan 0.000 0.443 72 T N -1.720 112.524 114.554 -0.516 0.000 2.915 72 T HA -0.082 4.269 4.350 0.001 0.000 0.269 72 T C 1.745 176.401 174.700 -0.074 0.000 1.071 72 T CA 1.396 63.410 62.100 -0.143 0.000 1.132 72 T CB -0.382 68.548 68.868 0.104 0.000 0.878 72 T HN 0.231 nan 8.240 nan 0.000 0.479 73 L N 0.373 121.522 121.223 -0.123 0.000 2.044 73 L HA 0.269 4.609 4.340 0.001 0.000 0.205 73 L C 2.278 179.122 176.870 -0.043 0.000 1.075 73 L CA 1.251 56.064 54.840 -0.045 0.000 0.747 73 L CB -0.962 41.077 42.059 -0.034 0.000 0.903 73 L HN 0.238 nan 8.230 nan 0.000 0.435 74 L N -0.442 120.726 121.223 -0.093 0.000 2.013 74 L HA -0.292 4.049 4.340 0.001 0.000 0.212 74 L C 2.706 179.545 176.870 -0.050 0.000 1.073 74 L CA 2.338 57.175 54.840 -0.006 0.000 0.753 74 L CB -1.099 40.962 42.059 0.004 0.000 0.890 74 L HN 0.558 nan 8.230 nan 0.000 0.432 75 H N -1.107 117.789 119.070 -0.289 0.000 2.353 75 H HA -0.182 4.374 4.556 0.001 0.000 0.300 75 H C 2.048 177.302 175.328 -0.122 0.000 1.090 75 H CA 1.772 57.670 56.048 -0.249 0.000 1.327 75 H CB 0.149 29.766 29.762 -0.242 0.000 1.383 75 H HN 0.476 nan 8.280 nan 0.000 0.508 76 N N 0.404 119.039 118.700 -0.108 0.000 2.120 76 N HA -0.134 4.607 4.740 0.001 0.000 0.188 76 N C 1.968 177.401 175.510 -0.128 0.000 1.024 76 N CA 1.277 54.264 53.050 -0.104 0.000 0.852 76 N CB -0.216 38.282 38.487 0.018 0.000 1.003 76 N HN 0.238 nan 8.380 nan 0.000 0.424 77 I N 0.914 121.437 120.570 -0.078 0.000 2.315 77 I HA -0.163 4.007 4.170 0.001 0.000 0.248 77 I C 2.318 178.362 176.117 -0.121 0.000 1.117 77 I CA 0.997 62.289 61.300 -0.014 0.000 1.404 77 I CB -0.319 37.736 38.000 0.093 0.000 1.071 77 I HN 0.191 nan 8.210 nan 0.000 0.419 78 K N 0.407 120.526 120.400 -0.468 0.000 2.009 78 K HA -0.177 4.143 4.320 0.001 0.000 0.210 78 K C 2.125 178.428 176.600 -0.494 0.000 1.049 78 K CA 1.989 57.641 56.287 -1.058 0.000 0.929 78 K CB -0.186 31.602 32.500 -1.188 0.000 0.714 78 K HN 0.137 nan 8.250 nan 0.000 0.440 79 V N 1.563 121.224 119.914 -0.421 0.000 2.252 79 V HA -0.297 3.824 4.120 0.001 0.000 0.249 79 V C 2.470 178.491 176.094 -0.122 0.000 1.056 79 V CA 2.174 64.317 62.300 -0.261 0.000 1.022 79 V CB -0.627 31.023 31.823 -0.288 0.000 0.641 79 V HN 0.379 nan 8.190 nan 0.000 0.445 80 R N -1.291 119.155 120.500 -0.089 0.000 2.091 80 R HA -0.209 4.132 4.340 0.001 0.000 0.238 80 R C 2.345 178.660 176.300 0.025 0.000 1.136 80 R CA 2.096 58.182 56.100 -0.023 0.000 0.959 80 R CB -0.575 29.719 30.300 -0.008 0.000 0.856 80 R HN 0.617 nan 8.270 nan 0.000 0.437 81 Y N 1.589 121.846 120.300 -0.073 0.000 2.224 81 Y HA -0.223 4.328 4.550 0.001 0.000 0.289 81 Y C 2.493 178.421 175.900 0.047 0.000 1.146 81 Y CA 1.620 59.718 58.100 -0.003 0.000 1.182 81 Y CB -0.185 38.325 38.460 0.083 0.000 0.983 81 Y HN 0.084 nan 8.280 nan 0.000 0.524 82 S N -0.810 114.930 115.700 0.066 0.000 2.507 82 S HA -0.091 4.380 4.470 0.001 0.000 0.235 82 S C 1.338 175.952 174.600 0.022 0.000 0.988 82 S CA 0.899 59.130 58.200 0.051 0.000 0.944 82 S CB -0.337 62.873 63.200 0.017 0.000 0.762 82 S HN 0.503 nan 8.310 nan 0.000 0.526 83 K N 0.681 121.078 120.400 -0.004 0.000 2.455 83 K HA 0.173 4.493 4.320 0.001 0.000 0.206 83 K C -0.719 175.879 176.600 -0.002 0.000 1.027 83 K CA 0.131 56.418 56.287 -0.001 0.000 1.113 83 K CB 0.380 32.873 32.500 -0.011 0.000 0.850 83 K HN 0.096 nan 8.250 nan 0.000 0.503 84 D N 1.075 121.459 120.400 -0.026 0.000 2.945 84 D HA -0.175 4.465 4.640 0.001 0.000 0.225 84 D C -0.569 175.660 176.300 -0.118 0.000 1.158 84 D CA 0.971 54.931 54.000 -0.066 0.000 0.805 84 D CB -0.926 39.914 40.800 0.067 0.000 1.098 84 D HN 0.292 nan 8.370 nan 0.000 0.426 85 R N 0.714 121.160 120.500 -0.089 0.000 2.522 85 R HA 0.347 4.688 4.340 0.001 0.000 0.290 85 R C 1.992 178.238 176.300 -0.091 0.000 1.216 85 R CA -0.268 55.778 56.100 -0.090 0.000 1.250 85 R CB 0.110 30.386 30.300 -0.040 0.000 1.143 85 R HN 0.345 nan 8.270 nan 0.000 0.553 86 I N -1.827 118.606 120.570 -0.227 0.000 2.928 86 I HA 0.031 4.201 4.170 0.001 0.000 0.266 86 I C -0.267 175.645 176.117 -0.341 0.000 1.234 86 I CA 0.558 61.704 61.300 -0.256 0.000 1.483 86 I CB 0.135 37.875 38.000 -0.434 0.000 1.097 86 I HN 0.217 nan 8.210 nan 0.000 0.455 87 Y N 1.353 121.576 120.300 -0.128 0.000 2.341 87 Y HA 0.626 5.177 4.550 0.001 0.000 0.337 87 Y C -0.062 175.719 175.900 -0.198 0.000 1.014 87 Y CA -0.868 57.118 58.100 -0.189 0.000 1.111 87 Y CB 1.879 40.150 38.460 -0.315 0.000 1.194 87 Y HN -0.090 nan 8.280 nan 0.000 0.462 88 T N 1.928 116.466 114.554 -0.025 0.000 2.956 88 T HA 0.343 4.694 4.350 0.001 0.000 0.312 88 T C -1.278 173.375 174.700 -0.077 0.000 1.151 88 T CA -1.084 60.968 62.100 -0.079 0.000 1.024 88 T CB 0.821 69.700 68.868 0.019 0.000 1.140 88 T HN 0.346 nan 8.240 nan 0.000 0.473 89 Y N 0.540 120.906 120.300 0.110 0.000 2.301 89 Y HA 0.533 5.084 4.550 0.001 0.000 0.325 89 Y C 0.341 176.303 175.900 0.102 0.000 1.203 89 Y CA -0.981 57.182 58.100 0.105 0.000 1.255 89 Y CB 1.094 39.608 38.460 0.090 0.000 1.232 89 Y HN 0.264 nan 8.280 nan 0.000 0.501 90 V N 3.815 123.912 119.914 0.305 0.000 2.284 90 V HA 0.452 4.572 4.120 0.001 0.000 0.274 90 V C 0.555 176.756 176.094 0.179 0.000 1.023 90 V CA -0.194 62.232 62.300 0.211 0.000 0.808 90 V CB -0.195 31.737 31.823 0.180 0.000 1.035 90 V HN 1.148 nan 8.190 nan 0.000 0.445 91 A N 5.412 128.313 122.820 0.135 0.000 5.251 91 A HA -0.330 3.991 4.320 0.001 0.000 0.334 91 A C 1.652 179.229 177.584 -0.012 0.000 1.764 91 A CA 2.278 54.346 52.037 0.053 0.000 0.708 91 A CB -1.397 17.639 19.000 0.061 0.000 1.420 91 A HN 0.691 nan 8.150 nan 0.000 0.394 92 N N 0.444 119.151 118.700 0.011 0.000 2.463 92 N HA 0.219 4.959 4.740 0.001 0.000 0.181 92 N C 0.481 176.083 175.510 0.154 0.000 1.078 92 N CA 0.886 53.935 53.050 -0.001 0.000 0.902 92 N CB -0.356 38.142 38.487 0.019 0.000 0.970 92 N HN 0.646 nan 8.380 nan 0.000 0.451 93 I N 1.343 122.052 120.570 0.233 0.000 2.474 93 I HA 0.055 4.225 4.170 0.001 0.000 0.287 93 I C -0.040 176.304 176.117 0.379 0.000 1.048 93 I CA -0.679 60.818 61.300 0.329 0.000 1.383 93 I CB 0.923 39.117 38.000 0.323 0.000 1.412 93 I HN -0.128 nan 8.210 nan 0.000 0.531 94 L N 8.333 129.767 121.223 0.351 0.000 2.264 94 L HA 0.496 4.836 4.340 0.001 0.000 0.289 94 L C -0.447 176.550 176.870 0.211 0.000 1.044 94 L CA 0.078 55.085 54.840 0.278 0.000 0.807 94 L CB 0.675 42.862 42.059 0.213 0.000 1.192 94 L HN 0.369 nan 8.230 nan 0.000 0.425 95 I N 5.229 125.898 120.570 0.165 0.000 2.336 95 I HA 0.571 4.741 4.170 0.001 0.000 0.292 95 I C 0.002 176.202 176.117 0.138 0.000 0.991 95 I CA -0.402 60.976 61.300 0.131 0.000 1.227 95 I CB 1.536 39.596 38.000 0.099 0.000 1.366 95 I HN 0.764 nan 8.210 nan 0.000 0.466 96 A N 6.822 129.714 122.820 0.120 0.000 2.310 96 A HA 0.679 4.999 4.320 0.001 0.000 0.304 96 A C -0.693 176.867 177.584 -0.041 0.000 1.231 96 A CA -0.503 51.571 52.037 0.062 0.000 0.799 96 A CB 0.949 20.074 19.000 0.208 0.000 1.162 96 A HN 0.437 nan 8.150 nan 0.000 0.486 97 V N 3.093 122.955 119.914 -0.087 0.000 2.432 97 V HA 0.186 4.307 4.120 0.001 0.000 0.275 97 V C 0.579 176.649 176.094 -0.040 0.000 1.043 97 V CA -0.981 61.269 62.300 -0.084 0.000 0.925 97 V CB 1.164 32.914 31.823 -0.121 0.000 0.985 97 V HN 0.888 nan 8.190 nan 0.000 0.466 98 N N 7.791 126.423 118.700 -0.113 0.000 2.434 98 N HA 0.084 4.824 4.740 0.001 0.000 0.268 98 N C -1.250 174.250 175.510 -0.017 0.000 1.256 98 N CA -1.554 51.381 53.050 -0.192 0.000 0.914 98 N CB 1.400 39.614 38.487 -0.454 0.000 1.088 98 N HN 0.360 nan 8.380 nan 0.000 0.478 99 P HA -0.051 nan 4.420 nan 0.000 0.227 99 P C -0.231 177.228 177.300 0.265 0.000 1.161 99 P CA 0.645 63.805 63.100 0.101 0.000 0.788 99 P CB 0.090 31.688 31.700 -0.171 0.000 0.822 100 Y N -2.125 118.267 120.300 0.152 0.000 4.604 100 Y HA -0.267 4.284 4.550 0.001 0.000 0.230 100 Y C 0.458 176.510 175.900 0.255 0.000 1.066 100 Y CA 0.361 58.557 58.100 0.160 0.000 1.990 100 Y CB -2.324 36.220 38.460 0.140 0.000 1.619 100 Y HN 0.142 nan 8.280 nan 0.000 0.649 101 F N -2.489 117.524 119.950 0.105 0.000 2.686 101 F HA 0.654 5.182 4.527 0.001 0.000 0.311 101 F C -1.118 174.726 175.800 0.073 0.000 1.128 101 F CA -1.642 56.407 58.000 0.082 0.000 0.946 101 F CB 1.127 40.161 39.000 0.058 0.000 1.336 101 F HN -0.340 nan 8.300 nan 0.000 0.457 102 D N 3.278 123.620 120.400 -0.097 0.000 2.393 102 D HA 0.317 4.957 4.640 0.001 0.000 0.232 102 D C 0.199 176.274 176.300 -0.374 0.000 1.192 102 D CA 0.341 54.246 54.000 -0.158 0.000 0.882 102 D CB 0.921 41.750 40.800 0.049 0.000 1.038 102 D HN 0.464 nan 8.370 nan 0.000 0.499 103 I N 4.607 124.819 120.570 -0.597 0.000 2.556 103 I HA 0.075 4.246 4.170 0.001 0.000 0.284 103 I C -1.526 174.490 176.117 -0.168 0.000 1.114 103 I CA -1.409 59.609 61.300 -0.470 0.000 1.418 103 I CB 0.437 38.135 38.000 -0.502 0.000 1.394 103 I HN 0.080 nan 8.210 nan 0.000 0.552 104 P HA 0.181 nan 4.420 nan 0.000 0.274 104 P C -0.208 177.064 177.300 -0.046 0.000 1.237 104 P CA -0.293 62.799 63.100 -0.014 0.000 0.793 104 P CB 1.169 32.887 31.700 0.030 0.000 0.977 105 K N -0.574 119.821 120.400 -0.009 0.000 3.467 105 K HA -0.222 4.099 4.320 0.001 0.000 0.375 105 K C 1.574 178.161 176.600 -0.021 0.000 0.589 105 K CA 1.734 58.022 56.287 0.002 0.000 1.651 105 K CB -1.983 30.519 32.500 0.003 0.000 1.135 105 K HN 0.612 nan 8.250 nan 0.000 0.459 106 I N -1.729 118.743 120.570 -0.163 0.000 2.830 106 I HA -0.119 4.051 4.170 0.001 0.000 0.263 106 I C 1.307 177.186 176.117 -0.396 0.000 1.230 106 I CA 1.268 62.394 61.300 -0.289 0.000 1.480 106 I CB -0.185 37.507 38.000 -0.515 0.000 1.095 106 I HN 0.223 nan 8.210 nan 0.000 0.455 107 Y N 1.612 121.926 120.300 0.025 0.000 2.584 107 Y HA 0.312 4.863 4.550 0.001 0.000 0.254 107 Y C 1.563 177.589 175.900 0.210 0.000 1.177 107 Y CA -0.560 57.583 58.100 0.072 0.000 1.216 107 Y CB 0.183 38.550 38.460 -0.155 0.000 1.172 107 Y HN 0.180 nan 8.280 nan 0.000 0.529 108 S N -0.919 114.934 115.700 0.256 0.000 2.584 108 S HA 0.035 4.505 4.470 0.001 0.000 0.270 108 S C 1.362 176.049 174.600 0.146 0.000 1.346 108 S CA -0.182 58.123 58.200 0.175 0.000 1.018 108 S CB 1.540 64.807 63.200 0.111 0.000 0.899 108 S HN 0.228 nan 8.310 nan 0.000 0.542 109 S N 0.627 116.370 115.700 0.072 0.000 2.419 109 S HA -0.082 4.389 4.470 0.001 0.000 0.233 109 S C 1.729 176.317 174.600 -0.021 0.000 1.016 109 S CA 1.371 59.568 58.200 -0.005 0.000 0.974 109 S CB -0.524 62.665 63.200 -0.019 0.000 0.786 109 S HN 0.851 nan 8.310 nan 0.000 0.492 110 E N 0.953 121.164 120.200 0.019 0.000 2.107 110 E HA -0.042 4.309 4.350 0.001 0.000 0.191 110 E C 2.057 178.687 176.600 0.050 0.000 0.982 110 E CA 1.165 57.575 56.400 0.017 0.000 0.809 110 E CB -0.345 29.369 29.700 0.023 0.000 0.756 110 E HN 0.350 nan 8.360 nan 0.000 0.459 111 T N 0.609 115.229 114.554 0.109 0.000 2.746 111 T HA -0.112 4.239 4.350 0.001 0.000 0.267 111 T C 1.853 176.702 174.700 0.249 0.000 1.039 111 T CA 1.231 63.458 62.100 0.212 0.000 1.142 111 T CB -0.268 68.765 68.868 0.276 0.000 0.866 111 T HN 0.138 nan 8.240 nan 0.000 0.444 112 I N 0.921 121.515 120.570 0.040 0.000 2.113 112 I HA -0.305 3.866 4.170 0.001 0.000 0.242 112 I C 2.560 178.647 176.117 -0.050 0.000 1.064 112 I CA 1.618 62.774 61.300 -0.240 0.000 1.320 112 I CB -0.310 37.403 38.000 -0.480 0.000 1.028 112 I HN 0.230 nan 8.210 nan 0.000 0.406 113 K N 0.503 120.858 120.400 -0.076 0.000 2.063 113 K HA -0.195 4.125 4.320 0.001 0.000 0.208 113 K C 2.175 178.773 176.600 -0.004 0.000 1.048 113 K CA 1.951 58.194 56.287 -0.073 0.000 0.928 113 K CB -0.320 32.136 32.500 -0.073 0.000 0.713 113 K HN 0.453 nan 8.250 nan 0.000 0.442 114 S N -0.174 115.547 115.700 0.035 0.000 2.469 114 S HA -0.147 4.324 4.470 0.001 0.000 0.238 114 S C 1.686 176.223 174.600 -0.105 0.000 0.998 114 S CA 0.801 58.982 58.200 -0.031 0.000 0.957 114 S CB -0.339 62.830 63.200 -0.051 0.000 0.764 114 S HN 0.299 nan 8.310 nan 0.000 0.514 115 Y N 1.571 121.905 120.300 0.057 0.000 2.510 115 Y HA 0.304 4.854 4.550 0.001 0.000 0.273 115 Y C 1.249 177.239 175.900 0.151 0.000 1.119 115 Y CA -0.257 57.902 58.100 0.098 0.000 1.286 115 Y CB -0.098 38.418 38.460 0.093 0.000 1.061 115 Y HN 0.319 nan 8.280 nan 0.000 0.542 116 Q N 0.219 120.157 119.800 0.230 0.000 2.247 116 Q HA 0.187 4.528 4.340 0.001 0.000 0.288 116 Q C 1.234 177.335 176.000 0.169 0.000 1.079 116 Q CA 1.033 56.943 55.803 0.178 0.000 0.932 116 Q CB 0.306 29.015 28.738 -0.049 0.000 1.133 116 Q HN 0.598 nan 8.270 nan 0.000 0.377 117 G N 2.309 111.261 108.800 0.254 0.000 2.189 117 G HA2 -0.275 3.686 3.960 0.001 0.000 0.267 117 G HA3 -0.275 3.686 3.960 0.001 0.000 0.267 117 G C -0.119 174.848 174.900 0.112 0.000 0.975 117 G CA -0.056 45.151 45.100 0.179 0.000 0.644 117 G HN 0.445 nan 8.290 nan 0.000 0.537 118 K N 1.158 121.623 120.400 0.108 0.000 2.174 118 K HA 0.508 4.828 4.320 0.001 0.000 0.275 118 K C 0.488 177.124 176.600 0.060 0.000 1.015 118 K CA -0.318 55.998 56.287 0.049 0.000 0.933 118 K CB 1.441 33.936 32.500 -0.008 0.000 1.025 118 K HN 0.159 nan 8.250 nan 0.000 0.463 119 S N 1.813 117.525 115.700 0.019 0.000 2.585 119 S HA 0.147 4.618 4.470 0.001 0.000 0.273 119 S C 0.652 175.256 174.600 0.006 0.000 1.339 119 S CA -0.657 57.544 58.200 0.002 0.000 1.028 119 S CB 0.358 63.540 63.200 -0.030 0.000 0.906 119 S HN 0.341 nan 8.310 nan 0.000 0.528 120 L N 2.244 123.450 121.223 -0.028 0.000 2.559 120 L HA 0.227 4.567 4.340 0.001 0.000 0.274 120 L C 1.539 178.352 176.870 -0.095 0.000 1.205 120 L CA 0.681 55.471 54.840 -0.083 0.000 0.907 120 L CB -0.348 41.557 42.059 -0.257 0.000 1.153 120 L HN 1.104 nan 8.230 nan 0.000 0.490 121 G N 1.545 110.355 108.800 0.017 0.000 2.213 121 G HA2 -0.332 3.629 3.960 0.001 0.000 0.226 121 G HA3 -0.332 3.629 3.960 0.001 0.000 0.226 121 G C 0.869 175.795 174.900 0.043 0.000 0.992 121 G CA 0.478 45.608 45.100 0.050 0.000 0.632 121 G HN 0.673 nan 8.290 nan 0.000 0.511 122 T N -1.999 112.564 114.554 0.015 0.000 3.043 122 T HA 0.531 4.881 4.350 0.001 0.000 0.263 122 T C 1.174 175.859 174.700 -0.026 0.000 1.094 122 T CA 1.189 63.277 62.100 -0.019 0.000 1.127 122 T CB 0.157 68.999 68.868 -0.043 0.000 0.905 122 T HN 0.249 nan 8.240 nan 0.000 0.490 123 M N 1.354 120.952 119.600 -0.003 0.000 2.664 123 M HA 0.556 5.036 4.480 0.001 0.000 0.314 123 M C -2.805 173.574 176.300 0.132 0.000 1.200 123 M CA -3.018 52.244 55.300 -0.064 0.000 0.916 123 M CB 1.194 33.528 32.600 -0.444 0.000 1.717 123 M HN -0.189 nan 8.290 nan 0.000 0.470 124 P HA 0.127 nan 4.420 nan 0.000 0.267 124 P C -2.474 174.968 177.300 0.236 0.000 1.201 124 P CA -0.513 62.694 63.100 0.178 0.000 0.775 124 P CB -0.647 31.145 31.700 0.153 0.000 0.854 125 P HA 0.004 nan 4.420 nan 0.000 0.262 125 P C -0.459 176.708 177.300 -0.222 0.000 1.182 125 P CA 1.222 64.084 63.100 -0.398 0.000 0.761 125 P CB 0.208 31.470 31.700 -0.731 0.000 0.795 126 H N 1.371 120.174 119.070 -0.444 0.000 3.079 126 H HA 0.069 4.625 4.556 0.001 0.000 0.356 126 H C 0.596 175.421 175.328 -0.838 0.000 1.221 126 H CA -0.552 54.963 56.048 -0.889 0.000 1.185 126 H CB 1.986 31.217 29.762 -0.885 0.000 1.882 126 H HN 0.109 nan 8.280 nan 0.000 0.543 127 V N 4.255 123.617 119.914 -0.919 0.000 2.453 127 V HA -0.242 3.878 4.120 0.001 0.000 0.252 127 V C 1.562 177.584 176.094 -0.119 0.000 1.068 127 V CA 2.037 64.142 62.300 -0.326 0.000 1.070 127 V CB -0.746 30.991 31.823 -0.145 0.000 0.664 127 V HN 0.557 nan 8.190 nan 0.000 0.461 128 F N 1.170 120.889 119.950 -0.386 0.000 2.161 128 F HA -0.062 4.465 4.527 0.001 0.000 0.300 128 F C 2.550 177.847 175.800 -0.838 0.000 1.089 128 F CA 1.116 58.529 58.000 -0.978 0.000 1.282 128 F CB -1.695 36.415 39.000 -1.483 0.000 1.010 128 F HN 0.291 nan 8.300 nan 0.000 0.485 129 A N 0.166 122.836 122.820 -0.250 0.000 1.930 129 A HA -0.108 4.213 4.320 0.001 0.000 0.217 129 A C 2.259 179.873 177.584 0.050 0.000 1.175 129 A CA 1.203 53.285 52.037 0.074 0.000 0.627 129 A CB -0.741 18.451 19.000 0.321 0.000 0.815 129 A HN 0.211 nan 8.150 nan 0.000 0.443 130 I N -0.052 120.539 120.570 0.035 0.000 2.252 130 I HA -0.203 3.968 4.170 0.001 0.000 0.245 130 I C 2.908 179.051 176.117 0.043 0.000 1.102 130 I CA 1.383 62.720 61.300 0.061 0.000 1.385 130 I CB -1.569 36.480 38.000 0.082 0.000 1.064 130 I HN 0.362 nan 8.210 nan 0.000 0.414 131 A N 0.538 123.357 122.820 -0.001 0.000 1.902 131 A HA -0.278 4.043 4.320 0.001 0.000 0.217 131 A C 2.145 179.830 177.584 0.169 0.000 1.181 131 A CA 2.237 54.316 52.037 0.070 0.000 0.623 131 A CB -0.845 18.183 19.000 0.047 0.000 0.818 131 A HN 0.420 nan 8.150 nan 0.000 0.443 132 D N -0.843 119.609 120.400 0.086 0.000 2.097 132 D HA -0.164 4.477 4.640 0.001 0.000 0.197 132 D C 2.001 178.430 176.300 0.215 0.000 0.984 132 D CA 1.556 55.750 54.000 0.323 0.000 0.826 132 D CB -0.081 40.901 40.800 0.304 0.000 0.973 132 D HN 0.472 nan 8.370 nan 0.000 0.460 133 K N -0.045 120.422 120.400 0.112 0.000 2.103 133 K HA -0.179 4.142 4.320 0.001 0.000 0.207 133 K C 1.940 178.545 176.600 0.008 0.000 1.048 133 K CA 1.351 57.667 56.287 0.047 0.000 0.930 133 K CB -0.176 32.337 32.500 0.021 0.000 0.716 133 K HN 0.150 nan 8.250 nan 0.000 0.444 134 A N 0.588 123.428 122.820 0.033 0.000 1.898 134 A HA -0.135 4.185 4.320 0.001 0.000 0.216 134 A C 1.995 179.531 177.584 -0.080 0.000 1.181 134 A CA 1.271 53.298 52.037 -0.018 0.000 0.620 134 A CB -0.774 18.243 19.000 0.028 0.000 0.819 134 A HN 0.531 nan 8.150 nan 0.000 0.442 135 F N 0.631 120.497 119.950 -0.140 0.000 2.102 135 F HA -0.143 4.384 4.527 0.001 0.000 0.298 135 F C 2.444 178.018 175.800 -0.375 0.000 1.105 135 F CA 1.852 59.655 58.000 -0.329 0.000 1.239 135 F CB -0.194 38.569 39.000 -0.395 0.000 0.991 135 F HN 0.091 nan 8.300 nan 0.000 0.474 136 R N 0.194 120.607 120.500 -0.145 0.000 2.083 136 R HA -0.174 4.166 4.340 0.001 0.000 0.237 136 R C 1.847 177.965 176.300 -0.303 0.000 1.137 136 R CA 1.750 57.729 56.100 -0.201 0.000 0.951 136 R CB -0.690 29.590 30.300 -0.034 0.000 0.851 136 R HN 0.308 nan 8.270 nan 0.000 0.434 137 D N 0.413 120.661 120.400 -0.252 0.000 2.144 137 D HA -0.168 4.473 4.640 0.001 0.000 0.200 137 D C 1.783 177.854 176.300 -0.382 0.000 0.978 137 D CA 0.951 54.796 54.000 -0.259 0.000 0.833 137 D CB -0.156 40.531 40.800 -0.188 0.000 0.961 137 D HN 0.161 nan 8.370 nan 0.000 0.470 138 M N 0.405 119.705 119.600 -0.500 0.000 2.080 138 M HA -0.223 4.257 4.480 0.001 0.000 0.260 138 M C 2.047 177.860 176.300 -0.813 0.000 1.068 138 M CA 1.571 56.467 55.300 -0.673 0.000 1.109 138 M CB 0.092 32.236 32.600 -0.760 0.000 1.342 138 M HN -0.160 nan 8.290 nan 0.000 0.405 139 K N -0.543 119.363 120.400 -0.823 0.000 2.001 139 K HA -0.109 4.211 4.320 0.001 0.000 0.208 139 K C 1.676 178.003 176.600 -0.455 0.000 1.048 139 K CA 1.603 57.474 56.287 -0.693 0.000 0.932 139 K CB -0.026 32.020 32.500 -0.757 0.000 0.715 139 K HN 0.269 nan 8.250 nan 0.000 0.437 140 V N 1.466 121.158 119.914 -0.371 0.000 2.283 140 V HA -0.202 3.919 4.120 0.001 0.000 0.243 140 V C 2.162 178.110 176.094 -0.243 0.000 1.039 140 V CA 1.520 63.670 62.300 -0.250 0.000 1.016 140 V CB -0.257 31.452 31.823 -0.190 0.000 0.650 140 V HN 0.310 nan 8.190 nan 0.000 0.449 141 L N -1.049 120.007 121.223 -0.278 0.000 2.492 141 L HA 0.115 4.456 4.340 0.001 0.000 0.223 141 L C 0.828 177.525 176.870 -0.288 0.000 1.132 141 L CA 0.295 54.992 54.840 -0.239 0.000 0.850 141 L CB -0.341 41.592 42.059 -0.210 0.000 0.966 141 L HN 0.311 nan 8.230 nan 0.000 0.454 142 K N 0.979 121.100 120.400 -0.464 0.000 3.393 142 K HA -0.177 4.143 4.320 0.001 0.000 0.272 142 K C -0.793 175.497 176.600 -0.517 0.000 1.004 142 K CA 0.245 56.137 56.287 -0.659 0.000 0.764 142 K CB -1.158 31.178 32.500 -0.273 0.000 1.373 142 K HN 0.103 nan 8.250 nan 0.000 0.458 143 L N -0.471 120.398 121.223 -0.590 0.000 2.543 143 L HA 0.370 4.710 4.340 0.001 0.000 0.265 143 L C -0.294 176.357 176.870 -0.364 0.000 0.945 143 L CA -0.190 54.466 54.840 -0.308 0.000 0.869 143 L CB 2.275 44.198 42.059 -0.226 0.000 1.294 143 L HN 0.088 nan 8.230 nan 0.000 0.405 144 S N 3.159 118.684 115.700 -0.291 0.000 2.566 144 S HA 0.388 4.858 4.470 0.001 0.000 0.280 144 S C -0.478 173.838 174.600 -0.474 0.000 1.343 144 S CA -0.352 57.521 58.200 -0.545 0.000 1.036 144 S CB 0.343 62.969 63.200 -0.956 0.000 0.866 144 S HN 0.598 nan 8.310 nan 0.000 0.526 145 Q N 0.947 120.455 119.800 -0.485 0.000 2.394 145 Q HA 0.568 4.908 4.340 0.001 0.000 0.273 145 Q C -0.872 175.093 176.000 -0.058 0.000 1.089 145 Q CA -0.676 54.994 55.803 -0.222 0.000 0.812 145 Q CB 2.196 30.827 28.738 -0.179 0.000 1.353 145 Q HN 0.787 nan 8.270 nan 0.000 0.438 146 S N 0.576 116.304 115.700 0.047 0.000 2.526 146 S HA 0.788 5.259 4.470 0.001 0.000 0.293 146 S C -0.511 174.129 174.600 0.068 0.000 1.092 146 S CA -0.712 57.597 58.200 0.183 0.000 0.980 146 S CB 1.028 64.400 63.200 0.286 0.000 1.048 146 S HN 0.501 nan 8.310 nan 0.000 0.483 147 I N 2.522 123.164 120.570 0.120 0.000 2.411 147 I HA 0.375 4.546 4.170 0.001 0.000 0.284 147 I C -1.304 174.875 176.117 0.104 0.000 1.012 147 I CA -0.671 60.663 61.300 0.057 0.000 1.119 147 I CB 1.382 39.437 38.000 0.093 0.000 1.261 147 I HN 0.564 nan 8.210 nan 0.000 0.448 148 I N 7.515 128.103 120.570 0.030 0.000 2.304 148 I HA 0.221 4.391 4.170 0.001 0.000 0.291 148 I C -0.156 176.071 176.117 0.184 0.000 1.018 148 I CA -0.317 61.069 61.300 0.143 0.000 1.260 148 I CB 1.299 39.432 38.000 0.222 0.000 1.390 148 I HN 0.157 nan 8.210 nan 0.000 0.475 149 V N 5.956 125.965 119.914 0.158 0.000 2.328 149 V HA 0.477 4.597 4.120 0.001 0.000 0.278 149 V C 0.141 176.298 176.094 0.106 0.000 1.021 149 V CA -0.265 62.115 62.300 0.134 0.000 0.838 149 V CB 0.919 32.808 31.823 0.110 0.000 0.999 149 V HN 0.766 nan 8.190 nan 0.000 0.447 150 S N 2.623 118.379 115.700 0.094 0.000 2.648 150 S HA 1.002 5.473 4.470 0.001 0.000 0.305 150 S C 0.273 174.890 174.600 0.028 0.000 1.094 150 S CA -0.082 58.150 58.200 0.053 0.000 0.983 150 S CB 2.039 65.254 63.200 0.026 0.000 1.101 150 S HN 1.351 nan 8.310 nan 0.000 0.514 151 G N 0.699 109.508 108.800 0.015 0.000 2.361 151 G HA2 0.217 4.177 3.960 0.001 0.000 0.305 151 G HA3 0.217 4.177 3.960 0.001 0.000 0.305 151 G C -1.676 173.220 174.900 -0.007 0.000 1.367 151 G CA -0.994 44.107 45.100 0.000 0.000 0.951 151 G HN 0.582 nan 8.290 nan 0.000 0.615 152 E N -0.059 120.125 120.200 -0.027 0.000 2.428 152 E HA 0.362 4.713 4.350 0.001 0.000 0.257 152 E C 0.388 176.967 176.600 -0.034 0.000 1.197 152 E CA 0.107 56.477 56.400 -0.049 0.000 0.974 152 E CB 0.362 30.011 29.700 -0.085 0.000 0.976 152 E HN 0.381 nan 8.360 nan 0.000 0.463 153 S N 0.592 116.271 115.700 -0.034 0.000 2.546 153 S HA 0.246 4.717 4.470 0.001 0.000 0.290 153 S C 0.998 175.599 174.600 0.001 0.000 1.262 153 S CA 0.455 58.650 58.200 -0.009 0.000 1.083 153 S CB 0.420 63.623 63.200 0.004 0.000 0.859 153 S HN 0.832 nan 8.310 nan 0.000 0.495 154 G N 2.242 111.051 108.800 0.015 0.000 2.176 154 G HA2 -0.270 3.691 3.960 0.001 0.000 0.253 154 G HA3 -0.270 3.691 3.960 0.001 0.000 0.253 154 G C 0.887 175.774 174.900 -0.022 0.000 0.979 154 G CA 0.244 45.371 45.100 0.045 0.000 0.641 154 G HN 1.007 nan 8.290 nan 0.000 0.530 155 A N -0.209 122.584 122.820 -0.045 0.000 2.015 155 A HA 0.473 4.793 4.320 0.001 0.000 0.219 155 A C 2.605 180.123 177.584 -0.110 0.000 1.163 155 A CA 2.494 54.482 52.037 -0.080 0.000 0.646 155 A CB -0.390 18.579 19.000 -0.052 0.000 0.806 155 A HN 2.516 nan 8.150 nan 0.000 0.448 156 G N -1.535 107.211 108.800 -0.090 0.000 2.147 156 G HA2 -0.148 3.812 3.960 0.001 0.000 0.128 156 G HA3 -0.148 3.812 3.960 0.001 0.000 0.128 156 G C 0.685 175.553 174.900 -0.054 0.000 1.026 156 G CA 0.453 45.500 45.100 -0.089 0.000 0.693 156 G HN 0.437 nan 8.290 nan 0.000 0.499 157 K N -0.159 120.217 120.400 -0.039 0.000 2.001 157 K HA -0.029 4.291 4.320 0.001 0.000 0.208 157 K C 2.551 179.121 176.600 -0.049 0.000 1.048 157 K CA 1.857 58.133 56.287 -0.018 0.000 0.932 157 K CB -0.308 32.190 32.500 -0.004 0.000 0.715 157 K HN 0.263 nan 8.250 nan 0.000 0.437 158 T N 1.599 116.109 114.554 -0.073 0.000 2.708 158 T HA -0.118 4.233 4.350 0.001 0.000 0.266 158 T C 1.663 176.251 174.700 -0.188 0.000 1.037 158 T CA 1.214 63.258 62.100 -0.092 0.000 1.146 158 T CB -0.144 68.684 68.868 -0.066 0.000 0.865 158 T HN 0.177 nan 8.240 nan 0.000 0.435 159 E N 1.625 121.665 120.200 -0.266 0.000 2.038 159 E HA -0.102 4.248 4.350 0.001 0.000 0.195 159 E C 2.243 178.302 176.600 -0.902 0.000 1.000 159 E CA 0.936 56.983 56.400 -0.588 0.000 0.803 159 E CB -0.581 28.827 29.700 -0.487 0.000 0.750 159 E HN 0.489 nan 8.360 nan 0.000 0.448 160 N N 0.169 118.636 118.700 -0.388 0.000 2.223 160 N HA -0.086 4.654 4.740 0.001 0.000 0.185 160 N C 1.751 177.250 175.510 -0.019 0.000 1.016 160 N CA 1.241 54.250 53.050 -0.069 0.000 0.863 160 N CB -0.138 38.448 38.487 0.165 0.000 0.983 160 N HN 0.158 nan 8.380 nan 0.000 0.429 161 T N 1.752 116.271 114.554 -0.058 0.000 2.708 161 T HA -0.140 4.210 4.350 0.001 0.000 0.266 161 T C 1.978 176.676 174.700 -0.004 0.000 1.037 161 T CA 1.085 63.189 62.100 0.007 0.000 1.146 161 T CB -0.057 68.816 68.868 0.009 0.000 0.865 161 T HN 0.323 nan 8.240 nan 0.000 0.435 162 K N 0.932 121.256 120.400 -0.127 0.000 2.097 162 K HA -0.074 4.247 4.320 0.001 0.000 0.206 162 K C 1.907 178.524 176.600 0.028 0.000 1.049 162 K CA 1.391 57.618 56.287 -0.100 0.000 0.933 162 K CB -0.574 31.816 32.500 -0.183 0.000 0.717 162 K HN 0.453 nan 8.250 nan 0.000 0.442 163 F N 1.163 121.166 119.950 0.089 0.000 2.186 163 F HA -0.170 4.358 4.527 0.001 0.000 0.299 163 F C 2.489 178.486 175.800 0.329 0.000 1.090 163 F CA 0.387 58.512 58.000 0.207 0.000 1.307 163 F CB -0.218 38.862 39.000 0.134 0.000 1.019 163 F HN -0.208 nan 8.300 nan 0.000 0.489 164 V N 0.762 120.906 119.914 0.383 0.000 2.295 164 V HA -0.286 3.835 4.120 0.001 0.000 0.246 164 V C 2.204 178.471 176.094 0.288 0.000 1.049 164 V CA 1.676 64.168 62.300 0.320 0.000 1.024 164 V CB -0.524 31.427 31.823 0.213 0.000 0.648 164 V HN 0.335 nan 8.190 nan 0.000 0.447 165 L N -0.612 120.734 121.223 0.205 0.000 2.179 165 L HA -0.080 4.260 4.340 0.001 0.000 0.208 165 L C 2.650 179.600 176.870 0.133 0.000 1.096 165 L CA 1.325 56.252 54.840 0.145 0.000 0.779 165 L CB -0.585 41.527 42.059 0.088 0.000 0.922 165 L HN 0.259 nan 8.230 nan 0.000 0.443 166 R N -0.160 120.445 120.500 0.175 0.000 2.070 166 R HA -0.261 4.079 4.340 0.001 0.000 0.233 166 R C 2.513 178.844 176.300 0.053 0.000 1.137 166 R CA 1.935 58.116 56.100 0.136 0.000 0.945 166 R CB -0.605 29.829 30.300 0.223 0.000 0.845 166 R HN 0.222 nan 8.270 nan 0.000 0.430 167 Y N 1.159 121.447 120.300 -0.020 0.000 2.114 167 Y HA -0.255 4.295 4.550 0.001 0.000 0.282 167 Y C 1.895 177.698 175.900 -0.162 0.000 1.165 167 Y CA 2.082 60.038 58.100 -0.240 0.000 1.148 167 Y CB -0.224 38.103 38.460 -0.221 0.000 0.972 167 Y HN 0.088 nan 8.280 nan 0.000 0.504 168 L N -0.754 120.511 121.223 0.069 0.000 2.072 168 L HA -0.180 4.160 4.340 0.001 0.000 0.205 168 L C 2.623 179.457 176.870 -0.060 0.000 1.079 168 L CA 1.753 56.642 54.840 0.081 0.000 0.752 168 L CB -1.046 41.189 42.059 0.293 0.000 0.906 168 L HN 0.372 nan 8.230 nan 0.000 0.436 169 T N -3.246 111.274 114.554 -0.057 0.000 2.777 169 T HA -0.159 4.192 4.350 0.001 0.000 0.266 169 T C 1.635 176.233 174.700 -0.171 0.000 1.040 169 T CA 1.011 63.063 62.100 -0.080 0.000 1.141 169 T CB -0.296 68.547 68.868 -0.042 0.000 0.868 169 T HN 0.324 nan 8.240 nan 0.000 0.444 170 E N 1.182 121.237 120.200 -0.242 0.000 2.077 170 E HA -0.070 4.280 4.350 0.001 0.000 0.193 170 E C 2.571 178.902 176.600 -0.449 0.000 0.989 170 E CA 1.455 57.675 56.400 -0.300 0.000 0.800 170 E CB -0.118 29.402 29.700 -0.301 0.000 0.746 170 E HN 0.562 nan 8.360 nan 0.000 0.452 171 S N -0.331 114.935 115.700 -0.723 0.000 2.388 171 S HA -0.031 4.440 4.470 0.001 0.000 0.223 171 S C 1.069 175.026 174.600 -1.072 0.000 1.034 171 S CA 0.761 58.301 58.200 -1.101 0.000 0.963 171 S CB 0.040 62.159 63.200 -1.801 0.000 0.827 171 S HN 0.318 nan 8.310 nan 0.000 0.481 172 Y N 0.863 120.932 120.300 -0.385 0.000 2.738 172 Y HA 0.431 4.982 4.550 0.001 0.000 0.249 172 Y C 1.249 177.084 175.900 -0.107 0.000 1.157 172 Y CA -0.832 57.059 58.100 -0.348 0.000 1.189 172 Y CB 0.171 38.139 38.460 -0.821 0.000 1.262 172 Y HN 0.223 nan 8.280 nan 0.000 0.554 173 G N 0.392 109.174 108.800 -0.030 0.000 2.563 173 G HA2 0.229 4.189 3.960 0.001 0.000 0.283 173 G HA3 0.229 4.189 3.960 0.001 0.000 0.283 173 G C 1.113 176.010 174.900 -0.006 0.000 1.309 173 G CA 0.265 45.356 45.100 -0.014 0.000 1.022 173 G HN 0.227 nan 8.290 nan 0.000 0.501 174 T N -3.855 110.693 114.554 -0.011 0.000 2.985 174 T HA 0.288 4.639 4.350 0.001 0.000 0.266 174 T C 1.894 176.589 174.700 -0.009 0.000 1.076 174 T CA 1.309 63.410 62.100 0.001 0.000 1.135 174 T CB -0.014 68.854 68.868 -0.000 0.000 0.890 174 T HN 2.083 nan 8.240 nan 0.000 0.480 175 G N 1.173 109.959 108.800 -0.023 0.000 2.313 175 G HA2 -0.224 3.737 3.960 0.001 0.000 0.215 175 G HA3 -0.224 3.737 3.960 0.001 0.000 0.215 175 G C 0.435 175.324 174.900 -0.018 0.000 1.023 175 G CA 0.230 45.314 45.100 -0.026 0.000 0.626 175 G HN 0.830 nan 8.290 nan 0.000 0.503 176 Q N 0.061 119.855 119.800 -0.010 0.000 3.082 176 Q HA 0.628 4.969 4.340 0.001 0.000 0.197 176 Q C 1.020 177.020 176.000 0.000 0.000 1.138 176 Q CA 0.424 56.225 55.803 -0.004 0.000 0.544 176 Q CB 0.204 28.942 28.738 0.000 0.000 4.702 176 Q HN 0.274 nan 8.270 nan 0.000 0.323 177 D N -0.772 119.633 120.400 0.009 0.000 2.454 177 D HA 0.088 4.728 4.640 0.001 0.000 0.219 177 D C 1.722 178.039 176.300 0.028 0.000 1.081 177 D CA -0.094 53.913 54.000 0.011 0.000 0.867 177 D CB 0.320 41.123 40.800 0.006 0.000 1.054 177 D HN 0.466 nan 8.370 nan 0.000 0.500 178 I N 0.348 120.941 120.570 0.037 0.000 2.394 178 I HA -0.164 4.006 4.170 0.001 0.000 0.251 178 I C 0.895 177.047 176.117 0.059 0.000 1.136 178 I CA 1.203 62.546 61.300 0.071 0.000 1.425 178 I CB 0.015 38.050 38.000 0.059 0.000 1.079 178 I HN -0.074 nan 8.210 nan 0.000 0.425 179 D N 1.080 121.490 120.400 0.017 0.000 2.123 179 D HA -0.209 4.432 4.640 0.001 0.000 0.196 179 D C 1.719 178.034 176.300 0.025 0.000 0.992 179 D CA 1.370 55.371 54.000 0.001 0.000 0.833 179 D CB -0.366 40.423 40.800 -0.018 0.000 0.954 179 D HN 0.391 nan 8.370 nan 0.000 0.455 180 D N -0.095 120.324 120.400 0.031 0.000 2.144 180 D HA -0.030 4.610 4.640 0.001 0.000 0.200 180 D C 2.061 178.398 176.300 0.062 0.000 0.978 180 D CA 0.573 54.594 54.000 0.034 0.000 0.833 180 D CB -0.055 40.757 40.800 0.019 0.000 0.961 180 D HN 0.153 nan 8.370 nan 0.000 0.470 181 R N -0.116 120.443 120.500 0.098 0.000 2.148 181 R HA 0.092 4.433 4.340 0.001 0.000 0.223 181 R C 2.296 178.778 176.300 0.303 0.000 1.088 181 R CA 0.358 56.547 56.100 0.149 0.000 0.985 181 R CB -0.057 30.330 30.300 0.145 0.000 0.880 181 R HN 0.225 nan 8.270 nan 0.000 0.451 182 I N 0.473 121.191 120.570 0.247 0.000 2.252 182 I HA -0.231 3.940 4.170 0.001 0.000 0.245 182 I C 2.257 178.444 176.117 0.118 0.000 1.102 182 I CA 1.169 62.555 61.300 0.143 0.000 1.385 182 I CB -0.114 37.862 38.000 -0.040 0.000 1.064 182 I HN 0.054 nan 8.210 nan 0.000 0.414 183 V N -2.462 117.505 119.914 0.088 0.000 3.129 183 V HA 0.018 4.139 4.120 0.001 0.000 0.259 183 V C 1.792 177.931 176.094 0.075 0.000 1.116 183 V CA 1.150 63.493 62.300 0.072 0.000 1.127 183 V CB -0.422 31.434 31.823 0.055 0.000 0.742 183 V HN 0.308 nan 8.190 nan 0.000 0.474 184 E N 0.844 121.092 120.200 0.081 0.000 2.452 184 E HA 0.302 4.653 4.350 0.001 0.000 0.197 184 E C 2.217 178.855 176.600 0.063 0.000 1.022 184 E CA 0.983 57.417 56.400 0.058 0.000 0.890 184 E CB 0.480 30.197 29.700 0.029 0.000 0.918 184 E HN 0.686 nan 8.360 nan 0.000 0.496 185 A N 2.121 125.005 122.820 0.108 0.000 1.877 185 A HA -0.203 4.117 4.320 0.001 0.000 0.216 185 A C 1.961 179.602 177.584 0.095 0.000 1.186 185 A CA 1.437 53.534 52.037 0.100 0.000 0.620 185 A CB -0.361 18.794 19.000 0.258 0.000 0.822 185 A HN 0.128 nan 8.150 nan 0.000 0.443 186 N N -0.039 118.733 118.700 0.120 0.000 2.106 186 N HA -0.071 4.669 4.740 0.001 0.000 0.188 186 N C -0.744 174.861 175.510 0.159 0.000 1.029 186 N CA 1.611 54.750 53.050 0.149 0.000 0.848 186 N CB -1.740 36.825 38.487 0.131 0.000 1.007 186 N HN 0.272 nan 8.380 nan 0.000 0.423 187 P HA -0.115 nan 4.420 nan 0.000 0.217 187 P C 1.695 179.074 177.300 0.132 0.000 1.148 187 P CA 0.670 63.840 63.100 0.117 0.000 0.828 187 P CB 0.048 31.794 31.700 0.076 0.000 0.783 188 L N -0.984 120.307 121.223 0.114 0.000 2.056 188 L HA -0.108 4.232 4.340 0.001 0.000 0.207 188 L C 2.120 179.134 176.870 0.240 0.000 1.078 188 L CA 1.742 56.666 54.840 0.140 0.000 0.749 188 L CB -1.364 40.738 42.059 0.071 0.000 0.901 188 L HN -0.106 nan 8.230 nan 0.000 0.433 189 L N -0.794 120.544 121.223 0.192 0.000 2.083 189 L HA -0.195 4.146 4.340 0.001 0.000 0.209 189 L C 2.449 179.559 176.870 0.401 0.000 1.083 189 L CA 1.278 56.256 54.840 0.230 0.000 0.752 189 L CB -0.651 41.496 42.059 0.147 0.000 0.899 189 L HN 0.359 nan 8.230 nan 0.000 0.433 190 E N 0.344 120.765 120.200 0.369 0.000 2.153 190 E HA -0.216 4.134 4.350 0.001 0.000 0.194 190 E C 2.320 179.108 176.600 0.315 0.000 0.988 190 E CA 1.011 57.635 56.400 0.373 0.000 0.811 190 E CB -0.137 29.743 29.700 0.300 0.000 0.746 190 E HN 0.510 nan 8.360 nan 0.000 0.466 191 A N 0.693 123.648 122.820 0.224 0.000 1.908 191 A HA -0.182 4.138 4.320 0.001 0.000 0.218 191 A C 1.744 179.284 177.584 -0.073 0.000 1.181 191 A CA 1.409 53.463 52.037 0.029 0.000 0.627 191 A CB -0.584 18.277 19.000 -0.232 0.000 0.818 191 A HN 0.220 nan 8.150 nan 0.000 0.445 192 F N -1.420 118.639 119.950 0.183 0.000 2.714 192 F HA 0.275 4.802 4.527 0.001 0.000 0.294 192 F C 2.223 177.931 175.800 -0.154 0.000 1.120 192 F CA 0.645 58.714 58.000 0.115 0.000 1.398 192 F CB 0.237 39.317 39.000 0.134 0.000 1.120 192 F HN 0.292 nan 8.300 nan 0.000 0.589 193 G N -1.159 107.726 108.800 0.140 0.000 3.079 193 G HA2 0.124 4.085 3.960 0.001 0.000 0.233 193 G HA3 0.124 4.085 3.960 0.001 0.000 0.233 193 G C 0.219 175.410 174.900 0.484 0.000 1.062 193 G CA -0.219 44.836 45.100 -0.075 0.000 0.809 193 G HN 0.114 nan 8.290 nan 0.000 0.535 194 N N 0.269 119.189 118.700 0.366 0.000 2.472 194 N HA 0.672 5.413 4.740 0.001 0.000 0.289 194 N C -0.906 174.411 175.510 -0.321 0.000 1.156 194 N CA -0.165 52.937 53.050 0.086 0.000 0.940 194 N CB 2.040 40.559 38.487 0.052 0.000 1.200 194 N HN 0.185 nan 8.380 nan 0.000 0.511 195 A N 0.877 123.461 122.820 -0.392 0.000 2.604 195 A HA 0.246 4.566 4.320 0.001 0.000 0.295 195 A C -1.107 176.421 177.584 -0.093 0.000 1.067 195 A CA -0.715 51.103 52.037 -0.366 0.000 0.683 195 A CB 1.386 20.163 19.000 -0.373 0.000 1.281 195 A HN 0.544 nan 8.150 nan 0.000 0.407 196 K N 1.690 122.110 120.400 0.034 0.000 2.378 196 K HA 0.377 4.698 4.320 0.001 0.000 0.288 196 K C 0.153 176.748 176.600 -0.010 0.000 1.057 196 K CA 0.781 57.097 56.287 0.048 0.000 0.971 196 K CB 0.171 32.683 32.500 0.019 0.000 0.975 196 K HN 0.941 nan 8.250 nan 0.000 0.475 197 T N -0.645 113.912 114.554 0.005 0.000 2.905 197 T HA 0.148 4.499 4.350 0.001 0.000 0.283 197 T C 0.950 175.656 174.700 0.009 0.000 1.031 197 T CA -0.891 61.211 62.100 0.003 0.000 1.002 197 T CB 1.365 70.241 68.868 0.014 0.000 1.200 197 T HN 0.206 nan 8.240 nan 0.000 0.560 198 V N 0.593 120.514 119.914 0.011 0.000 2.809 198 V HA 0.041 4.162 4.120 0.001 0.000 0.256 198 V C 2.451 178.544 176.094 -0.003 0.000 1.080 198 V CA 1.542 63.844 62.300 0.004 0.000 1.102 198 V CB -0.789 31.040 31.823 0.010 0.000 0.705 198 V HN 0.833 nan 8.190 nan 0.000 0.475 199 R N -0.200 120.303 120.500 0.005 0.000 2.206 199 R HA 0.191 4.531 4.340 0.001 0.000 0.198 199 R C 0.374 176.697 176.300 0.038 0.000 0.986 199 R CA 0.342 56.445 56.100 0.005 0.000 1.029 199 R CB 0.233 30.524 30.300 -0.015 0.000 0.966 199 R HN 0.382 nan 8.270 nan 0.000 0.487 200 N N -0.058 118.669 118.700 0.045 0.000 2.503 200 N HA 0.089 4.829 4.740 0.001 0.000 0.287 200 N C -0.614 174.939 175.510 0.071 0.000 1.096 200 N CA -0.299 52.795 53.050 0.073 0.000 0.936 200 N CB 1.093 39.622 38.487 0.070 0.000 1.570 200 N HN -0.189 nan 8.380 nan 0.000 0.504 201 N N 1.548 120.297 118.700 0.082 0.000 2.364 201 N HA -0.122 4.618 4.740 0.001 0.000 0.183 201 N C -0.032 175.572 175.510 0.157 0.000 1.022 201 N CA 0.958 54.060 53.050 0.086 0.000 0.883 201 N CB -0.003 38.522 38.487 0.062 0.000 0.965 201 N HN 0.550 nan 8.380 nan 0.000 0.438 202 N N -0.050 118.744 118.700 0.157 0.000 2.644 202 N HA 0.057 4.798 4.740 0.001 0.000 0.313 202 N C -1.325 174.263 175.510 0.129 0.000 1.863 202 N CA -0.115 53.069 53.050 0.224 0.000 0.918 202 N CB 0.227 38.831 38.487 0.196 0.000 1.320 202 N HN -0.188 nan 8.380 nan 0.000 0.490 203 S N -0.117 115.630 115.700 0.078 0.000 2.531 203 S HA 0.213 4.683 4.470 0.001 0.000 0.279 203 S C -0.055 174.569 174.600 0.039 0.000 1.305 203 S CA -0.300 57.925 58.200 0.042 0.000 1.058 203 S CB 0.154 63.371 63.200 0.029 0.000 0.899 203 S HN 0.378 nan 8.310 nan 0.000 0.493 204 S N 5.309 121.016 115.700 0.013 0.000 2.455 204 S HA 0.267 4.737 4.470 0.001 0.000 0.278 204 S C 0.542 175.160 174.600 0.030 0.000 1.216 204 S CA -0.754 57.430 58.200 -0.027 0.000 1.055 204 S CB 0.465 63.510 63.200 -0.257 0.000 0.939 204 S HN 0.581 nan 8.310 nan 0.000 0.494 205 R N 2.217 122.848 120.500 0.220 0.000 2.586 205 R HA 0.280 4.620 4.340 0.001 0.000 0.306 205 R C -0.400 176.099 176.300 0.330 0.000 1.079 205 R CA -0.117 56.127 56.100 0.241 0.000 1.083 205 R CB -1.080 29.400 30.300 0.300 0.000 1.306 205 R HN 0.723 nan 8.270 nan 0.000 0.567 206 F N -3.727 116.275 119.950 0.088 0.000 2.668 206 F HA 0.771 5.299 4.527 0.001 0.000 0.309 206 F C -0.064 175.844 175.800 0.181 0.000 1.117 206 F CA -1.696 56.377 58.000 0.122 0.000 0.951 206 F CB 0.853 39.940 39.000 0.145 0.000 1.323 206 F HN -0.105 nan 8.300 nan 0.000 0.451 207 G N 1.187 110.126 108.800 0.231 0.000 2.412 207 G HA2 0.622 4.583 3.960 0.001 0.000 0.318 207 G HA3 0.622 4.583 3.960 0.001 0.000 0.318 207 G C -1.746 173.391 174.900 0.396 0.000 1.146 207 G CA -1.015 44.218 45.100 0.222 0.000 0.882 207 G HN 1.023 nan 8.290 nan 0.000 0.501 208 K N -0.481 120.113 120.400 0.323 0.000 2.527 208 K HA 0.640 4.961 4.320 0.001 0.000 0.260 208 K C -2.142 174.747 176.600 0.483 0.000 0.937 208 K CA -0.990 55.533 56.287 0.392 0.000 0.826 208 K CB 2.345 35.041 32.500 0.327 0.000 1.359 208 K HN 0.273 nan 8.250 nan 0.000 0.434 209 F N 2.399 122.524 119.950 0.291 0.000 2.460 209 F HA 0.420 4.948 4.527 0.001 0.000 0.341 209 F C -1.415 174.488 175.800 0.173 0.000 1.130 209 F CA -1.095 57.048 58.000 0.239 0.000 0.962 209 F CB 1.712 40.890 39.000 0.296 0.000 1.171 209 F HN 0.310 nan 8.300 nan 0.000 0.436 210 V N 5.964 125.787 119.914 -0.152 0.000 2.357 210 V HA 0.368 4.489 4.120 0.001 0.000 0.284 210 V C -0.506 175.383 176.094 -0.341 0.000 1.018 210 V CA -0.727 61.477 62.300 -0.160 0.000 0.841 210 V CB 1.304 33.105 31.823 -0.037 0.000 0.991 210 V HN 0.648 nan 8.190 nan 0.000 0.437 211 E N 4.920 124.951 120.200 -0.282 0.000 2.191 211 E HA 0.592 4.942 4.350 0.001 0.000 0.278 211 E C -0.947 175.579 176.600 -0.125 0.000 0.972 211 E CA -0.528 55.721 56.400 -0.251 0.000 0.804 211 E CB 2.385 31.911 29.700 -0.289 0.000 1.110 211 E HN 0.568 nan 8.360 nan 0.000 0.394 212 I N 3.067 123.585 120.570 -0.087 0.000 2.339 212 I HA 0.244 4.415 4.170 0.001 0.000 0.290 212 I C -0.372 175.618 176.117 -0.211 0.000 0.994 212 I CA -0.679 60.517 61.300 -0.173 0.000 1.191 212 I CB 0.672 38.589 38.000 -0.138 0.000 1.343 212 I HN 0.449 nan 8.210 nan 0.000 0.458 213 H N 5.408 124.226 119.070 -0.419 0.000 2.467 213 H HA 0.591 5.148 4.556 0.001 0.000 0.331 213 H C -1.015 174.011 175.328 -0.504 0.000 1.120 213 H CA 0.174 55.986 56.048 -0.393 0.000 1.270 213 H CB 1.200 30.406 29.762 -0.927 0.000 1.466 213 H HN 0.300 nan 8.280 nan 0.000 0.504 214 F N 0.856 120.784 119.950 -0.036 0.000 2.593 214 F HA 0.267 4.795 4.527 0.001 0.000 0.320 214 F C 0.326 176.105 175.800 -0.034 0.000 1.060 214 F CA -1.140 56.865 58.000 0.009 0.000 0.940 214 F CB 1.206 40.257 39.000 0.084 0.000 1.268 214 F HN 0.618 nan 8.300 nan 0.000 0.475 215 N N -0.406 118.400 118.700 0.176 0.000 2.476 215 N HA 0.137 4.878 4.740 0.001 0.000 0.287 215 N C 0.607 176.154 175.510 0.062 0.000 1.262 215 N CA -0.556 52.531 53.050 0.062 0.000 0.980 215 N CB 0.139 38.658 38.487 0.053 0.000 1.163 215 N HN 0.768 nan 8.380 nan 0.000 0.592 216 E N -0.492 119.705 120.200 -0.006 0.000 2.219 216 E HA -0.215 4.135 4.350 0.001 0.000 0.198 216 E C 0.514 177.185 176.600 0.119 0.000 0.998 216 E CA 1.181 57.601 56.400 0.035 0.000 0.818 216 E CB -0.001 29.702 29.700 0.005 0.000 0.741 216 E HN 0.530 nan 8.360 nan 0.000 0.477 217 K N 0.104 120.565 120.400 0.103 0.000 2.458 217 K HA 0.021 4.342 4.320 0.001 0.000 0.194 217 K C 0.306 176.988 176.600 0.138 0.000 1.024 217 K CA 0.629 56.977 56.287 0.102 0.000 1.108 217 K CB 0.372 32.923 32.500 0.086 0.000 0.846 217 K HN 0.181 nan 8.250 nan 0.000 0.518 218 S N -0.341 115.471 115.700 0.187 0.000 3.706 218 S HA -0.190 4.280 4.470 0.001 0.000 0.363 218 S C -0.270 174.625 174.600 0.492 0.000 0.999 218 S CA 0.530 58.860 58.200 0.217 0.000 1.143 218 S CB -2.270 60.822 63.200 -0.180 0.000 0.902 218 S HN 0.237 nan 8.310 nan 0.000 0.476 219 S N -0.037 115.922 115.700 0.432 0.000 2.501 219 S HA 0.678 5.149 4.470 0.001 0.000 0.301 219 S C 0.184 174.904 174.600 0.200 0.000 1.096 219 S CA -0.287 58.114 58.200 0.334 0.000 1.063 219 S CB 1.679 64.987 63.200 0.179 0.000 1.042 219 S HN 1.045 nan 8.310 nan 0.000 0.494 220 V N 5.631 125.543 119.914 -0.004 0.000 2.485 220 V HA 0.095 4.215 4.120 0.001 0.000 0.287 220 V C 1.261 177.256 176.094 -0.167 0.000 1.022 220 V CA 0.458 62.559 62.300 -0.331 0.000 1.067 220 V CB 0.724 32.347 31.823 -0.332 0.000 0.967 220 V HN 0.875 nan 8.190 nan 0.000 0.479 221 V N 1.685 121.480 119.914 -0.199 0.000 3.604 221 V HA 0.806 4.927 4.120 0.001 0.000 0.277 221 V C 0.672 176.726 176.094 -0.067 0.000 1.399 221 V CA 0.770 63.017 62.300 -0.089 0.000 1.034 221 V CB 0.046 31.841 31.823 -0.047 0.000 0.824 221 V HN 1.077 nan 8.190 nan 0.000 0.439 222 G N -1.259 107.425 108.800 -0.193 0.000 2.321 222 G HA2 0.588 4.549 3.960 0.001 0.000 0.296 222 G HA3 0.588 4.549 3.960 0.001 0.000 0.296 222 G C -0.793 173.940 174.900 -0.278 0.000 1.287 222 G CA 0.014 45.067 45.100 -0.077 0.000 0.846 222 G HN 0.981 nan 8.290 nan 0.000 0.508 223 G N -1.683 106.959 108.800 -0.263 0.000 2.690 223 G HA2 0.791 4.752 3.960 0.001 0.000 0.291 223 G HA3 0.791 4.752 3.960 0.001 0.000 0.291 223 G C -2.188 172.735 174.900 0.038 0.000 1.403 223 G CA -0.684 44.072 45.100 -0.574 0.000 0.864 223 G HN 1.276 nan 8.290 nan 0.000 0.480 224 F N 0.915 120.838 119.950 -0.045 0.000 2.605 224 F HA 0.554 5.082 4.527 0.001 0.000 0.320 224 F C -1.114 174.711 175.800 0.043 0.000 1.159 224 F CA -0.650 57.424 58.000 0.123 0.000 0.999 224 F CB 2.151 41.255 39.000 0.173 0.000 1.258 224 F HN 0.423 nan 8.300 nan 0.000 0.464 225 V N 4.550 124.201 119.914 -0.438 0.000 2.417 225 V HA 0.548 4.668 4.120 0.001 0.000 0.291 225 V C -0.381 175.534 176.094 -0.298 0.000 1.024 225 V CA -0.540 61.627 62.300 -0.220 0.000 0.861 225 V CB 1.650 33.398 31.823 -0.124 0.000 0.985 225 V HN 0.791 nan 8.190 nan 0.000 0.436 226 S N 4.064 119.785 115.700 0.035 0.000 2.509 226 S HA 0.659 5.129 4.470 0.001 0.000 0.297 226 S C -0.671 173.848 174.600 -0.135 0.000 1.118 226 S CA -0.611 57.594 58.200 0.008 0.000 1.074 226 S CB 0.863 64.161 63.200 0.164 0.000 1.038 226 S HN 0.962 nan 8.310 nan 0.000 0.498 227 H N 0.503 119.295 119.070 -0.462 0.000 2.690 227 H HA 0.576 5.132 4.556 0.001 0.000 0.368 227 H C -2.064 172.984 175.328 -0.466 0.000 1.150 227 H CA -0.850 55.027 56.048 -0.285 0.000 1.174 227 H CB 0.579 30.350 29.762 0.016 0.000 1.684 227 H HN 0.614 nan 8.280 nan 0.000 0.538 228 Y N 1.802 122.290 120.300 0.313 0.000 2.406 228 Y HA 0.300 4.850 4.550 0.001 0.000 0.340 228 Y C -0.096 175.895 175.900 0.152 0.000 0.975 228 Y CA -1.478 56.744 58.100 0.203 0.000 1.056 228 Y CB 1.654 40.299 38.460 0.309 0.000 1.210 228 Y HN 0.515 nan 8.280 nan 0.000 0.448 229 L N 2.486 123.814 121.223 0.174 0.000 3.601 229 L HA -0.223 4.117 4.340 0.001 0.000 0.469 229 L C -0.444 176.490 176.870 0.106 0.000 1.294 229 L CA 0.229 55.084 54.840 0.025 0.000 0.829 229 L CB -1.805 40.125 42.059 -0.215 0.000 1.628 229 L HN 0.643 nan 8.230 nan 0.000 0.868 230 L N 0.986 122.298 121.223 0.148 0.000 2.559 230 L HA 0.078 4.419 4.340 0.001 0.000 0.274 230 L C 1.294 178.228 176.870 0.108 0.000 1.205 230 L CA 0.673 55.571 54.840 0.096 0.000 0.907 230 L CB 0.377 42.400 42.059 -0.060 0.000 1.153 230 L HN 0.406 nan 8.230 nan 0.000 0.490 231 E N 4.252 124.550 120.200 0.162 0.000 2.059 231 E HA -0.032 4.319 4.350 0.001 0.000 0.262 231 E C 0.283 176.992 176.600 0.182 0.000 1.230 231 E CA -0.354 56.134 56.400 0.147 0.000 0.951 231 E CB 0.447 30.222 29.700 0.125 0.000 1.038 231 E HN 0.529 nan 8.360 nan 0.000 0.425 232 K N 1.734 122.209 120.400 0.126 0.000 2.097 232 K HA -0.118 4.203 4.320 0.001 0.000 0.205 232 K C 2.050 178.700 176.600 0.083 0.000 1.050 232 K CA 1.373 57.736 56.287 0.127 0.000 0.938 232 K CB -0.487 32.077 32.500 0.107 0.000 0.718 232 K HN 0.523 nan 8.250 nan 0.000 0.442 233 S N 1.248 116.976 115.700 0.048 0.000 2.399 233 S HA -0.161 4.309 4.470 0.001 0.000 0.231 233 S C 2.122 176.697 174.600 -0.041 0.000 1.022 233 S CA 1.006 59.208 58.200 0.003 0.000 0.983 233 S CB -0.256 62.947 63.200 0.004 0.000 0.803 233 S HN 0.296 nan 8.310 nan 0.000 0.480 234 R N 0.979 121.455 120.500 -0.039 0.000 2.193 234 R HA 0.083 4.423 4.340 0.001 0.000 0.229 234 R C 1.947 178.145 176.300 -0.170 0.000 1.110 234 R CA 1.188 57.208 56.100 -0.132 0.000 0.988 234 R CB -0.522 29.621 30.300 -0.263 0.000 0.871 234 R HN 0.541 nan 8.270 nan 0.000 0.458 235 I N -0.356 120.154 120.570 -0.100 0.000 2.286 235 I HA -0.359 3.811 4.170 0.001 0.000 0.248 235 I C 1.936 177.705 176.117 -0.581 0.000 1.115 235 I CA 1.077 62.238 61.300 -0.231 0.000 1.392 235 I CB -0.076 37.844 38.000 -0.132 0.000 1.065 235 I HN 0.316 nan 8.210 nan 0.000 0.418 236 C N -1.414 117.572 119.300 -0.523 0.000 2.487 236 C HA 0.353 4.813 4.460 0.001 0.000 0.311 236 C C 0.882 175.713 174.990 -0.266 0.000 1.367 236 C CA -0.289 58.287 59.018 -0.736 0.000 1.865 236 C CB 0.747 28.225 27.740 -0.436 0.000 2.277 236 C HN 0.252 nan 8.230 nan 0.000 0.521 237 V N 2.793 122.620 119.914 -0.146 0.000 2.789 237 V HA 0.610 4.731 4.120 0.001 0.000 0.311 237 V C -1.888 174.173 176.094 -0.054 0.000 1.073 237 V CA -0.181 62.090 62.300 -0.049 0.000 0.921 237 V CB 1.990 33.810 31.823 -0.005 0.000 1.009 237 V HN 0.544 nan 8.190 nan 0.000 0.426 238 Q N 4.472 124.256 119.800 -0.026 0.000 2.456 238 Q HA 0.602 4.943 4.340 0.001 0.000 0.283 238 Q C -0.011 175.989 176.000 0.000 0.000 1.084 238 Q CA -0.360 55.427 55.803 -0.026 0.000 0.801 238 Q CB 1.759 30.474 28.738 -0.038 0.000 1.434 238 Q HN 0.951 nan 8.270 nan 0.000 0.419 239 G N 0.841 109.643 108.800 0.003 0.000 2.667 239 G HA2 0.098 4.058 3.960 0.001 0.000 0.250 239 G HA3 0.098 4.058 3.960 0.001 0.000 0.250 239 G C 0.579 175.489 174.900 0.016 0.000 1.212 239 G CA -0.397 44.712 45.100 0.016 0.000 0.874 239 G HN 0.640 nan 8.290 nan 0.000 0.561 240 K N -0.340 120.072 120.400 0.020 0.000 2.103 240 K HA -0.101 4.219 4.320 0.001 0.000 0.207 240 K C 1.146 177.754 176.600 0.012 0.000 1.048 240 K CA 1.321 57.618 56.287 0.018 0.000 0.930 240 K CB 0.172 32.683 32.500 0.019 0.000 0.716 240 K HN 0.366 nan 8.250 nan 0.000 0.444 241 E N 0.901 121.106 120.200 0.008 0.000 2.496 241 E HA 0.128 4.479 4.350 0.001 0.000 0.202 241 E C -0.861 175.734 176.600 -0.009 0.000 1.021 241 E CA -0.019 56.380 56.400 -0.001 0.000 1.015 241 E CB 0.300 29.998 29.700 -0.002 0.000 1.102 241 E HN 0.203 nan 8.360 nan 0.000 0.452 242 E N -0.294 119.901 120.200 -0.007 0.000 2.393 242 E HA 0.554 4.905 4.350 0.001 0.000 0.265 242 E C -0.274 176.314 176.600 -0.019 0.000 0.941 242 E CA -0.979 55.410 56.400 -0.018 0.000 0.801 242 E CB 2.156 31.846 29.700 -0.016 0.000 1.313 242 E HN -0.071 nan 8.360 nan 0.000 0.435 243 R N 0.625 121.105 120.500 -0.033 0.000 2.867 243 R HA 0.360 4.700 4.340 0.001 0.000 0.268 243 R C -0.053 176.275 176.300 0.045 0.000 1.014 243 R CA -0.999 55.109 56.100 0.012 0.000 0.946 243 R CB 1.248 31.432 30.300 -0.194 0.000 1.208 243 R HN 0.422 nan 8.270 nan 0.000 0.477 244 N N 0.439 119.276 118.700 0.228 0.000 2.255 244 N HA 0.019 4.759 4.740 0.001 0.000 0.253 244 N C -0.598 175.018 175.510 0.177 0.000 1.313 244 N CA 0.288 53.383 53.050 0.075 0.000 0.912 244 N CB 0.217 38.689 38.487 -0.025 0.000 1.145 244 N HN 0.269 nan 8.380 nan 0.000 0.511 245 Y N 0.733 121.217 120.300 0.307 0.000 2.597 245 Y HA -0.064 4.487 4.550 0.001 0.000 0.336 245 Y C 2.009 178.131 175.900 0.371 0.000 1.216 245 Y CA 0.448 58.683 58.100 0.224 0.000 1.463 245 Y CB 0.186 38.740 38.460 0.157 0.000 1.303 245 Y HN 0.624 nan 8.280 nan 0.000 0.576 246 H N 1.507 120.803 119.070 0.378 0.000 2.321 246 H HA -0.266 4.291 4.556 0.001 0.000 0.295 246 H C 2.079 177.531 175.328 0.206 0.000 1.102 246 H CA 1.413 57.631 56.048 0.284 0.000 1.266 246 H CB 0.024 29.884 29.762 0.163 0.000 1.363 246 H HN 0.722 nan 8.280 nan 0.000 0.492 247 I N 0.904 121.546 120.570 0.119 0.000 2.143 247 I HA -0.348 3.823 4.170 0.001 0.000 0.245 247 I C 1.637 177.686 176.117 -0.114 0.000 1.068 247 I CA 1.474 62.674 61.300 -0.165 0.000 1.326 247 I CB -0.560 37.094 38.000 -0.577 0.000 1.028 247 I HN 0.086 nan 8.210 nan 0.000 0.412 248 F N -0.238 119.714 119.950 0.004 0.000 2.091 248 F HA -0.274 4.253 4.527 0.001 0.000 0.299 248 F C 2.307 177.935 175.800 -0.287 0.000 1.103 248 F CA 2.169 60.037 58.000 -0.219 0.000 1.228 248 F CB -1.330 37.435 39.000 -0.390 0.000 0.984 248 F HN 0.147 nan 8.300 nan 0.000 0.477 249 Y N -0.866 119.531 120.300 0.161 0.000 2.395 249 Y HA -0.011 4.540 4.550 0.001 0.000 0.293 249 Y C 2.362 178.264 175.900 0.003 0.000 1.123 249 Y CA 0.590 58.733 58.100 0.071 0.000 1.227 249 Y CB -0.572 37.944 38.460 0.093 0.000 1.012 249 Y HN -0.108 nan 8.280 nan 0.000 0.552 250 R N -0.568 120.029 120.500 0.161 0.000 2.090 250 R HA -0.112 4.228 4.340 0.001 0.000 0.228 250 R C 1.997 178.213 176.300 -0.140 0.000 1.110 250 R CA 1.082 57.239 56.100 0.094 0.000 0.973 250 R CB -0.470 29.947 30.300 0.195 0.000 0.869 250 R HN 0.244 nan 8.270 nan 0.000 0.440 251 L N 0.466 121.568 121.223 -0.203 0.000 2.005 251 L HA -0.151 4.190 4.340 0.001 0.000 0.207 251 L C 2.065 178.651 176.870 -0.474 0.000 1.072 251 L CA 1.648 56.190 54.840 -0.497 0.000 0.744 251 L CB -0.611 41.205 42.059 -0.404 0.000 0.895 251 L HN 0.183 nan 8.230 nan 0.000 0.433 252 C N -0.481 118.659 119.300 -0.267 0.000 2.413 252 C HA -0.173 4.288 4.460 0.001 0.000 0.276 252 C C 2.973 177.870 174.990 -0.155 0.000 1.248 252 C CA 0.863 59.776 59.018 -0.175 0.000 1.742 252 C CB -1.574 26.114 27.740 -0.087 0.000 2.017 252 C HN 0.713 nan 8.230 nan 0.000 0.481 253 A N -0.121 122.621 122.820 -0.130 0.000 1.897 253 A HA 0.195 4.516 4.320 0.001 0.000 0.215 253 A C 2.291 179.801 177.584 -0.123 0.000 1.181 253 A CA 1.920 53.922 52.037 -0.058 0.000 0.620 253 A CB -0.891 18.134 19.000 0.041 0.000 0.821 253 A HN 0.566 nan 8.150 nan 0.000 0.443 254 G N -1.285 107.250 108.800 -0.440 0.000 2.921 254 G HA2 0.436 4.397 3.960 0.001 0.000 0.213 254 G HA3 0.436 4.397 3.960 0.001 0.000 0.213 254 G C 0.645 175.015 174.900 -0.883 0.000 1.143 254 G CA 0.625 45.358 45.100 -0.612 0.000 0.764 254 G HN 0.737 nan 8.290 nan 0.000 0.542 255 A N 1.181 123.378 122.820 -1.038 0.000 2.498 255 A HA 0.509 4.829 4.320 0.001 0.000 0.239 255 A C 1.129 178.571 177.584 -0.236 0.000 1.068 255 A CA 0.339 51.980 52.037 -0.660 0.000 0.766 255 A CB 0.114 18.787 19.000 -0.545 0.000 1.003 255 A HN 0.882 nan 8.150 nan 0.000 0.497 256 S N 1.287 116.944 115.700 -0.073 0.000 2.584 256 S HA 0.102 4.572 4.470 0.001 0.000 0.270 256 S C 0.810 175.390 174.600 -0.034 0.000 1.346 256 S CA 0.417 58.609 58.200 -0.014 0.000 1.018 256 S CB 0.744 63.968 63.200 0.039 0.000 0.899 256 S HN 0.745 nan 8.310 nan 0.000 0.542 257 E N 0.933 121.123 120.200 -0.018 0.000 2.171 257 E HA -0.189 4.162 4.350 0.001 0.000 0.197 257 E C 1.374 177.961 176.600 -0.023 0.000 0.997 257 E CA 1.852 58.240 56.400 -0.021 0.000 0.810 257 E CB -0.359 29.336 29.700 -0.008 0.000 0.738 257 E HN 0.881 nan 8.360 nan 0.000 0.467 258 D N -0.778 119.616 120.400 -0.010 0.000 2.084 258 D HA -0.121 4.520 4.640 0.001 0.000 0.194 258 D C 1.785 178.072 176.300 -0.022 0.000 0.990 258 D CA 1.433 55.428 54.000 -0.009 0.000 0.826 258 D CB -0.053 40.752 40.800 0.008 0.000 0.971 258 D HN 0.193 nan 8.370 nan 0.000 0.453 259 I N -0.034 120.529 120.570 -0.012 0.000 2.286 259 I HA -0.221 3.950 4.170 0.001 0.000 0.248 259 I C 2.580 178.650 176.117 -0.079 0.000 1.115 259 I CA 0.802 62.092 61.300 -0.018 0.000 1.392 259 I CB -0.259 37.754 38.000 0.021 0.000 1.065 259 I HN 0.022 nan 8.210 nan 0.000 0.418 260 R N 1.013 121.460 120.500 -0.090 0.000 2.091 260 R HA -0.210 4.130 4.340 0.001 0.000 0.238 260 R C 2.119 178.353 176.300 -0.110 0.000 1.136 260 R CA 1.767 57.807 56.100 -0.099 0.000 0.959 260 R CB -0.061 30.192 30.300 -0.077 0.000 0.856 260 R HN 0.411 nan 8.270 nan 0.000 0.437 261 E N -0.496 119.644 120.200 -0.100 0.000 2.072 261 E HA -0.128 4.223 4.350 0.001 0.000 0.190 261 E C 2.168 178.610 176.600 -0.263 0.000 0.982 261 E CA 0.781 57.112 56.400 -0.116 0.000 0.803 261 E CB 0.043 29.714 29.700 -0.049 0.000 0.755 261 E HN 0.295 nan 8.360 nan 0.000 0.453 262 R N 0.314 120.681 120.500 -0.221 0.000 2.120 262 R HA -0.070 4.270 4.340 0.001 0.000 0.234 262 R C 1.952 177.959 176.300 -0.488 0.000 1.123 262 R CA 0.915 56.856 56.100 -0.265 0.000 0.975 262 R CB -0.058 30.177 30.300 -0.108 0.000 0.866 262 R HN 0.217 nan 8.270 nan 0.000 0.446 263 L N -0.567 120.416 121.223 -0.400 0.000 2.693 263 L HA 0.152 4.493 4.340 0.001 0.000 0.235 263 L C -0.314 176.450 176.870 -0.176 0.000 1.127 263 L CA -0.191 54.499 54.840 -0.250 0.000 0.914 263 L CB 0.022 42.043 42.059 -0.063 0.000 1.193 263 L HN 0.309 nan 8.230 nan 0.000 0.502 264 H N -0.481 118.541 119.070 -0.080 0.000 2.819 264 H HA -0.108 4.448 4.556 0.001 0.000 0.315 264 H C -0.196 175.169 175.328 0.061 0.000 1.242 264 H CA 0.346 56.263 56.048 -0.218 0.000 1.157 264 H CB -2.080 27.110 29.762 -0.953 0.000 1.451 264 H HN 0.284 nan 8.280 nan 0.000 0.430 265 L N 0.490 121.779 121.223 0.111 0.000 2.343 265 L HA 0.474 4.814 4.340 0.001 0.000 0.275 265 L C 0.801 177.762 176.870 0.152 0.000 1.056 265 L CA -0.336 54.608 54.840 0.174 0.000 0.804 265 L CB 1.807 43.868 42.059 0.004 0.000 1.203 265 L HN 0.229 nan 8.230 nan 0.000 0.440 266 S N -0.655 115.203 115.700 0.263 0.000 3.081 266 S HA 0.473 4.944 4.470 0.001 0.000 0.316 266 S C -0.516 174.189 174.600 0.175 0.000 1.089 266 S CA -0.765 57.519 58.200 0.141 0.000 0.897 266 S CB 1.302 64.516 63.200 0.023 0.000 1.358 266 S HN 0.643 nan 8.310 nan 0.000 0.678 267 S N 1.193 116.958 115.700 0.108 0.000 2.585 267 S HA 0.297 4.767 4.470 0.001 0.000 0.273 267 S C -2.193 172.531 174.600 0.206 0.000 1.339 267 S CA -0.791 57.479 58.200 0.117 0.000 1.028 267 S CB 0.169 63.409 63.200 0.066 0.000 0.906 267 S HN 0.329 nan 8.310 nan 0.000 0.528 268 P HA -0.117 nan 4.420 nan 0.000 0.218 268 P C 0.220 177.652 177.300 0.220 0.000 1.146 268 P CA 1.442 64.683 63.100 0.234 0.000 0.813 268 P CB -0.249 31.586 31.700 0.224 0.000 0.778 269 D N -1.791 118.685 120.400 0.127 0.000 2.378 269 D HA -0.100 4.541 4.640 0.001 0.000 0.222 269 D C 1.080 177.363 176.300 -0.029 0.000 0.980 269 D CA 0.633 54.668 54.000 0.057 0.000 0.907 269 D CB -0.814 40.009 40.800 0.037 0.000 0.899 269 D HN 0.200 nan 8.370 nan 0.000 0.527 270 N N -0.625 118.005 118.700 -0.116 0.000 2.398 270 N HA 0.125 4.865 4.740 0.001 0.000 0.188 270 N C -0.874 174.216 175.510 -0.700 0.000 1.122 270 N CA 0.152 52.956 53.050 -0.411 0.000 0.866 270 N CB 0.246 38.399 38.487 -0.555 0.000 0.970 270 N HN 0.102 nan 8.380 nan 0.000 0.462 271 F N -0.722 119.180 119.950 -0.080 0.000 2.518 271 F HA 0.421 4.949 4.527 0.001 0.000 0.323 271 F C 1.372 177.106 175.800 -0.111 0.000 1.129 271 F CA -1.060 56.861 58.000 -0.131 0.000 0.920 271 F CB 1.737 40.624 39.000 -0.188 0.000 1.160 271 F HN -0.249 nan 8.300 nan 0.000 0.440 272 R N 1.266 121.771 120.500 0.008 0.000 2.120 272 R HA -0.154 4.186 4.340 0.001 0.000 0.234 272 R C 1.153 177.526 176.300 0.123 0.000 1.123 272 R CA 1.612 57.719 56.100 0.011 0.000 0.975 272 R CB -0.074 30.189 30.300 -0.061 0.000 0.866 272 R HN 0.614 nan 8.270 nan 0.000 0.446 273 Y N 0.114 120.382 120.300 -0.054 0.000 2.616 273 Y HA 0.084 4.634 4.550 0.001 0.000 0.296 273 Y C 1.009 176.777 175.900 -0.221 0.000 1.154 273 Y CA 0.318 58.315 58.100 -0.172 0.000 1.325 273 Y CB -0.137 38.138 38.460 -0.308 0.000 1.007 273 Y HN -0.012 nan 8.280 nan 0.000 0.542 310 L N 0.117 121.331 121.223 -0.015 0.000 2.653 310 L HA 0.260 4.601 4.340 0.001 0.000 0.232 310 L C 0.105 176.966 176.870 -0.015 0.000 1.169 310 L CA 0.636 55.472 54.840 -0.006 0.000 0.951 310 L CB -0.520 41.540 42.059 0.002 0.000 1.181 310 L HN 0.195 nan 8.230 nan 0.000 0.460 311 L N -0.019 121.184 121.223 -0.033 0.000 2.262 311 L HA 0.311 4.651 4.340 0.001 0.000 0.288 311 L C -0.091 176.759 176.870 -0.034 0.000 1.035 311 L CA -0.287 54.518 54.840 -0.058 0.000 0.820 311 L CB 1.028 43.027 42.059 -0.100 0.000 1.204 311 L HN -0.084 nan 8.230 nan 0.000 0.424 312 D N 2.066 122.453 120.400 -0.021 0.000 2.557 312 D HA 0.077 4.718 4.640 0.001 0.000 0.236 312 D C 0.608 176.932 176.300 0.039 0.000 1.154 312 D CA -0.161 53.853 54.000 0.023 0.000 0.985 312 D CB 0.580 41.402 40.800 0.037 0.000 1.010 312 D HN 0.390 nan 8.370 nan 0.000 0.516 313 D N 0.563 120.993 120.400 0.050 0.000 2.144 313 D HA -0.180 4.461 4.640 0.001 0.000 0.200 313 D C 1.590 177.964 176.300 0.124 0.000 0.978 313 D CA 0.728 54.772 54.000 0.073 0.000 0.833 313 D CB -0.004 40.851 40.800 0.092 0.000 0.961 313 D HN 0.615 nan 8.370 nan 0.000 0.470 314 H N 0.910 120.006 119.070 0.044 0.000 2.293 314 H HA -0.078 4.478 4.556 0.001 0.000 0.300 314 H C 2.095 177.489 175.328 0.110 0.000 1.082 314 H CA 1.988 58.071 56.048 0.058 0.000 1.308 314 H CB -0.245 29.532 29.762 0.026 0.000 1.375 314 H HN 0.138 nan 8.280 nan 0.000 0.495 315 G N 0.562 109.472 108.800 0.184 0.000 2.440 315 G HA2 -0.257 3.704 3.960 0.001 0.000 0.218 315 G HA3 -0.257 3.704 3.960 0.001 0.000 0.218 315 G C 1.373 176.306 174.900 0.054 0.000 1.154 315 G CA 0.960 46.126 45.100 0.110 0.000 0.767 315 G HN 0.430 nan 8.290 nan 0.000 0.552 316 D N -0.158 120.278 120.400 0.060 0.000 2.144 316 D HA -0.074 4.566 4.640 0.001 0.000 0.200 316 D C 1.938 178.271 176.300 0.056 0.000 0.978 316 D CA 0.327 54.352 54.000 0.041 0.000 0.833 316 D CB -0.347 40.461 40.800 0.014 0.000 0.961 316 D HN 0.304 nan 8.370 nan 0.000 0.470 317 F N 1.563 121.473 119.950 -0.067 0.000 2.095 317 F HA -0.176 4.352 4.527 0.001 0.000 0.298 317 F C 2.134 177.894 175.800 -0.067 0.000 1.104 317 F CA 1.159 59.111 58.000 -0.080 0.000 1.232 317 F CB -0.340 38.577 39.000 -0.137 0.000 0.987 317 F HN -0.151 nan 8.300 nan 0.000 0.475 318 I N 0.246 120.792 120.570 -0.040 0.000 2.118 318 I HA -0.376 3.795 4.170 0.001 0.000 0.241 318 I C 2.655 178.697 176.117 -0.126 0.000 1.070 318 I CA 1.795 63.030 61.300 -0.108 0.000 1.327 318 I CB -0.576 37.399 38.000 -0.042 0.000 1.034 318 I HN 0.060 nan 8.210 nan 0.000 0.405 319 R N -0.061 120.400 120.500 -0.066 0.000 2.105 319 R HA -0.215 4.125 4.340 0.001 0.000 0.239 319 R C 2.370 178.627 176.300 -0.072 0.000 1.135 319 R CA 1.707 57.779 56.100 -0.046 0.000 0.967 319 R CB -0.291 30.004 30.300 -0.008 0.000 0.861 319 R HN 0.423 nan 8.270 nan 0.000 0.442 320 M N -0.170 119.363 119.600 -0.112 0.000 2.099 320 M HA -0.212 4.268 4.480 0.001 0.000 0.262 320 M C 2.121 178.326 176.300 -0.159 0.000 1.067 320 M CA 1.659 56.891 55.300 -0.114 0.000 1.124 320 M CB -0.117 32.411 32.600 -0.120 0.000 1.353 320 M HN 0.283 nan 8.290 nan 0.000 0.410 321 C N 0.407 119.530 119.300 -0.295 0.000 2.413 321 C HA -0.151 4.309 4.460 0.001 0.000 0.276 321 C C 2.648 177.553 174.990 -0.141 0.000 1.248 321 C CA 1.598 60.465 59.018 -0.251 0.000 1.742 321 C CB -1.438 26.095 27.740 -0.346 0.000 2.017 321 C HN 0.631 nan 8.230 nan 0.000 0.481 322 T N 1.192 115.677 114.554 -0.116 0.000 2.652 322 T HA -0.192 4.158 4.350 0.001 0.000 0.267 322 T C 2.120 176.787 174.700 -0.056 0.000 1.039 322 T CA 1.975 64.034 62.100 -0.068 0.000 1.153 322 T CB -0.489 68.351 68.868 -0.047 0.000 0.863 322 T HN 0.668 nan 8.240 nan 0.000 0.428 323 A N 1.096 123.885 122.820 -0.051 0.000 1.902 323 A HA -0.065 4.255 4.320 0.001 0.000 0.217 323 A C 2.359 179.911 177.584 -0.054 0.000 1.181 323 A CA 1.631 53.647 52.037 -0.036 0.000 0.623 323 A CB -0.691 18.300 19.000 -0.014 0.000 0.818 323 A HN 0.476 nan 8.150 nan 0.000 0.443 324 M N -0.884 118.674 119.600 -0.069 0.000 2.086 324 M HA -0.185 4.295 4.480 0.001 0.000 0.261 324 M C 2.218 178.462 176.300 -0.093 0.000 1.067 324 M CA 1.907 57.154 55.300 -0.088 0.000 1.116 324 M CB -0.351 32.185 32.600 -0.107 0.000 1.348 324 M HN 0.316 nan 8.290 nan 0.000 0.407 325 K N 0.107 120.457 120.400 -0.083 0.000 2.057 325 K HA -0.174 4.146 4.320 0.001 0.000 0.207 325 K C 2.035 178.598 176.600 -0.062 0.000 1.049 325 K CA 1.264 57.508 56.287 -0.072 0.000 0.931 325 K CB -0.130 32.333 32.500 -0.062 0.000 0.714 325 K HN 0.176 nan 8.250 nan 0.000 0.440 326 K N 1.231 121.598 120.400 -0.054 0.000 2.147 326 K HA -0.117 4.203 4.320 0.001 0.000 0.205 326 K C 1.873 178.441 176.600 -0.053 0.000 1.049 326 K CA 1.252 57.514 56.287 -0.043 0.000 0.936 326 K CB 0.004 32.486 32.500 -0.029 0.000 0.722 326 K HN 0.273 nan 8.250 nan 0.000 0.446 327 I N -4.424 116.099 120.570 -0.077 0.000 3.728 327 I HA 0.310 4.481 4.170 0.001 0.000 0.307 327 I C 0.776 176.817 176.117 -0.128 0.000 1.276 327 I CA 0.509 61.742 61.300 -0.112 0.000 1.285 327 I CB 0.820 38.727 38.000 -0.154 0.000 1.038 327 I HN 0.170 nan 8.210 nan 0.000 0.445 328 G N 1.520 110.258 108.800 -0.103 0.000 2.143 328 G HA2 -0.161 3.800 3.960 0.001 0.000 0.175 328 G HA3 -0.161 3.800 3.960 0.001 0.000 0.175 328 G C -0.309 174.528 174.900 -0.104 0.000 1.004 328 G CA -0.319 44.723 45.100 -0.096 0.000 0.671 328 G HN 0.228 nan 8.290 nan 0.000 0.512 329 L N 2.826 123.980 121.223 -0.114 0.000 2.360 329 L HA 0.437 4.777 4.340 0.001 0.000 0.276 329 L C 0.741 177.546 176.870 -0.109 0.000 1.121 329 L CA -0.338 54.430 54.840 -0.121 0.000 0.845 329 L CB 0.733 42.707 42.059 -0.141 0.000 1.143 329 L HN 0.399 nan 8.230 nan 0.000 0.452 330 D N 0.938 121.277 120.400 -0.102 0.000 2.383 330 D HA 0.049 4.689 4.640 0.001 0.000 0.248 330 D C 0.341 176.571 176.300 -0.116 0.000 1.170 330 D CA -0.506 53.439 54.000 -0.092 0.000 0.977 330 D CB 0.572 41.328 40.800 -0.073 0.000 1.120 330 D HN 0.474 nan 8.370 nan 0.000 0.481 331 D N -0.780 119.562 120.400 -0.096 0.000 2.218 331 D HA -0.151 4.490 4.640 0.001 0.000 0.204 331 D C 1.552 177.773 176.300 -0.132 0.000 0.976 331 D CA 0.996 54.934 54.000 -0.104 0.000 0.853 331 D CB 0.078 40.845 40.800 -0.055 0.000 0.939 331 D HN 0.663 nan 8.370 nan 0.000 0.481 332 E N 0.783 120.911 120.200 -0.120 0.000 2.051 332 E HA -0.274 4.076 4.350 0.001 0.000 0.192 332 E C 1.942 178.410 176.600 -0.220 0.000 0.991 332 E CA 1.033 57.352 56.400 -0.136 0.000 0.799 332 E CB 0.080 29.721 29.700 -0.099 0.000 0.748 332 E HN 0.324 nan 8.360 nan 0.000 0.449 333 E N 0.771 120.839 120.200 -0.220 0.000 2.047 333 E HA -0.234 4.117 4.350 0.001 0.000 0.191 333 E C 2.156 178.519 176.600 -0.394 0.000 0.987 333 E CA 1.331 57.558 56.400 -0.289 0.000 0.799 333 E CB -0.066 29.538 29.700 -0.159 0.000 0.752 333 E HN 0.084 nan 8.360 nan 0.000 0.449 334 K N 0.133 120.309 120.400 -0.373 0.000 2.089 334 K HA -0.223 4.097 4.320 0.001 0.000 0.210 334 K C 2.200 178.300 176.600 -0.833 0.000 1.048 334 K CA 1.604 57.537 56.287 -0.591 0.000 0.926 334 K CB -0.217 32.001 32.500 -0.469 0.000 0.714 334 K HN 0.228 nan 8.250 nan 0.000 0.448 335 L N 1.293 122.241 121.223 -0.459 0.000 2.109 335 L HA -0.092 4.248 4.340 0.001 0.000 0.207 335 L C 1.480 178.198 176.870 -0.254 0.000 1.086 335 L CA 1.774 56.473 54.840 -0.236 0.000 0.760 335 L CB -0.404 41.605 42.059 -0.083 0.000 0.910 335 L HN 0.152 nan 8.230 nan 0.000 0.437 336 D N -0.211 119.920 120.400 -0.448 0.000 2.123 336 D HA -0.212 4.428 4.640 0.001 0.000 0.196 336 D C 2.289 178.190 176.300 -0.665 0.000 0.992 336 D CA 1.724 55.280 54.000 -0.740 0.000 0.833 336 D CB -0.188 39.760 40.800 -1.420 0.000 0.954 336 D HN 0.372 nan 8.370 nan 0.000 0.455 337 L N -0.380 120.524 121.223 -0.532 0.000 2.017 337 L HA -0.142 4.199 4.340 0.001 0.000 0.208 337 L C 2.571 179.518 176.870 0.128 0.000 1.073 337 L CA 0.971 55.717 54.840 -0.156 0.000 0.745 337 L CB -0.522 41.452 42.059 -0.141 0.000 0.894 337 L HN 0.044 nan 8.230 nan 0.000 0.432 338 F N -0.232 119.725 119.950 0.011 0.000 2.134 338 F HA -0.204 4.323 4.527 0.001 0.000 0.299 338 F C 2.851 178.677 175.800 0.044 0.000 1.097 338 F CA 0.546 58.573 58.000 0.046 0.000 1.264 338 F CB -0.208 38.816 39.000 0.040 0.000 1.001 338 F HN -0.024 nan 8.300 nan 0.000 0.479 339 R N 0.163 120.786 120.500 0.204 0.000 2.081 339 R HA -0.136 4.204 4.340 0.001 0.000 0.235 339 R C 2.062 178.479 176.300 0.195 0.000 1.131 339 R CA 1.373 57.566 56.100 0.156 0.000 0.960 339 R CB -0.551 29.801 30.300 0.087 0.000 0.856 339 R HN 0.163 nan 8.270 nan 0.000 0.436 340 V N 0.220 120.258 119.914 0.207 0.000 2.307 340 V HA -0.206 3.914 4.120 0.001 0.000 0.245 340 V C 2.361 178.633 176.094 0.296 0.000 1.045 340 V CA 1.503 63.958 62.300 0.258 0.000 1.024 340 V CB -0.381 31.614 31.823 0.286 0.000 0.651 340 V HN 0.108 nan 8.190 nan 0.000 0.449 341 V N 0.570 120.659 119.914 0.291 0.000 2.252 341 V HA -0.321 3.800 4.120 0.001 0.000 0.249 341 V C 2.746 179.008 176.094 0.281 0.000 1.056 341 V CA 2.370 64.841 62.300 0.284 0.000 1.022 341 V CB -1.203 30.709 31.823 0.148 0.000 0.641 341 V HN 0.571 nan 8.190 nan 0.000 0.445 342 A N 0.255 123.186 122.820 0.185 0.000 1.930 342 A HA -0.055 4.266 4.320 0.001 0.000 0.217 342 A C 2.416 180.130 177.584 0.216 0.000 1.175 342 A CA 1.799 53.900 52.037 0.106 0.000 0.627 342 A CB -1.197 17.873 19.000 0.116 0.000 0.815 342 A HN 0.551 nan 8.150 nan 0.000 0.443 343 G N -0.496 108.474 108.800 0.282 0.000 2.442 343 G HA2 -0.135 3.825 3.960 0.001 0.000 0.219 343 G HA3 -0.135 3.825 3.960 0.001 0.000 0.219 343 G C 1.473 176.550 174.900 0.296 0.000 1.141 343 G CA 1.316 46.600 45.100 0.307 0.000 0.763 343 G HN 0.330 nan 8.290 nan 0.000 0.554 344 V N 0.719 120.826 119.914 0.322 0.000 2.453 344 V HA -0.059 4.061 4.120 0.001 0.000 0.247 344 V C 2.877 179.144 176.094 0.288 0.000 1.048 344 V CA 1.137 63.659 62.300 0.371 0.000 1.049 344 V CB -0.365 31.762 31.823 0.507 0.000 0.672 344 V HN 0.332 nan 8.190 nan 0.000 0.457 345 L N -0.736 120.577 121.223 0.151 0.000 1.989 345 L HA -0.210 4.131 4.340 0.001 0.000 0.211 345 L C 2.729 179.577 176.870 -0.037 0.000 1.071 345 L CA 1.726 56.488 54.840 -0.129 0.000 0.749 345 L CB -0.831 40.873 42.059 -0.591 0.000 0.890 345 L HN 0.422 nan 8.230 nan 0.000 0.431 346 H N -0.851 118.331 119.070 0.186 0.000 2.389 346 H HA -0.133 4.423 4.556 0.001 0.000 0.299 346 H C 2.102 177.465 175.328 0.059 0.000 1.081 346 H CA 1.301 57.474 56.048 0.208 0.000 1.345 346 H CB -0.122 29.804 29.762 0.273 0.000 1.393 346 H HN 0.182 nan 8.280 nan 0.000 0.520 347 L N 0.985 122.311 121.223 0.172 0.000 2.079 347 L HA -0.057 4.284 4.340 0.001 0.000 0.210 347 L C 2.413 179.221 176.870 -0.103 0.000 1.081 347 L CA 1.974 56.867 54.840 0.087 0.000 0.752 347 L CB -0.962 41.205 42.059 0.180 0.000 0.896 347 L HN 0.226 nan 8.230 nan 0.000 0.433 348 G N -1.350 107.183 108.800 -0.445 0.000 2.598 348 G HA2 -0.223 3.737 3.960 0.001 0.000 0.215 348 G HA3 -0.223 3.737 3.960 0.001 0.000 0.215 348 G C 1.252 175.814 174.900 -0.563 0.000 1.131 348 G CA 0.510 44.906 45.100 -1.173 0.000 0.785 348 G HN 0.437 nan 8.290 nan 0.000 0.539 349 N N 0.147 118.687 118.700 -0.265 0.000 2.353 349 N HA 0.130 4.871 4.740 0.001 0.000 0.185 349 N C 0.496 175.900 175.510 -0.178 0.000 1.098 349 N CA -0.096 52.858 53.050 -0.160 0.000 0.872 349 N CB 0.243 38.704 38.487 -0.043 0.000 0.970 349 N HN 0.272 nan 8.380 nan 0.000 0.467 350 I N 2.346 122.786 120.570 -0.216 0.000 2.406 350 I HA 0.020 4.190 4.170 0.001 0.000 0.293 350 I C 0.204 175.985 176.117 -0.560 0.000 1.101 350 I CA -0.267 60.823 61.300 -0.350 0.000 1.334 350 I CB 0.074 37.882 38.000 -0.321 0.000 1.421 350 I HN 0.017 nan 8.210 nan 0.000 0.513 351 D N 6.621 126.714 120.400 -0.512 0.000 2.299 351 D HA 0.448 5.088 4.640 0.001 0.000 0.243 351 D C -0.763 175.211 176.300 -0.545 0.000 0.982 351 D CA -0.404 53.302 54.000 -0.490 0.000 0.924 351 D CB 1.865 42.572 40.800 -0.154 0.000 1.238 351 D HN 0.145 nan 8.370 nan 0.000 0.484 369 T N 2.625 117.081 114.554 -0.162 0.000 2.699 369 T HA -0.196 4.155 4.350 0.001 0.000 0.268 369 T C 1.752 176.309 174.700 -0.239 0.000 1.036 369 T CA 1.986 63.986 62.100 -0.167 0.000 1.147 369 T CB -0.265 68.518 68.868 -0.141 0.000 0.862 369 T HN 0.355 nan 8.240 nan 0.000 0.446 370 Q N 0.072 119.703 119.800 -0.282 0.000 2.083 370 Q HA -0.004 4.336 4.340 0.001 0.000 0.198 370 Q C 2.590 178.217 176.000 -0.621 0.000 0.969 370 Q CA 1.156 56.660 55.803 -0.498 0.000 0.838 370 Q CB -0.229 28.270 28.738 -0.398 0.000 0.900 370 Q HN 0.567 nan 8.270 nan 0.000 0.436 371 A N 0.651 123.306 122.820 -0.276 0.000 1.933 371 A HA -0.184 4.137 4.320 0.001 0.000 0.218 371 A C 1.957 179.480 177.584 -0.102 0.000 1.175 371 A CA 1.188 53.175 52.037 -0.083 0.000 0.628 371 A CB -0.654 18.340 19.000 -0.010 0.000 0.814 371 A HN 0.459 nan 8.150 nan 0.000 0.444 372 L N -0.003 121.128 121.223 -0.153 0.000 2.083 372 L HA -0.149 4.192 4.340 0.001 0.000 0.209 372 L C 2.259 179.051 176.870 -0.130 0.000 1.083 372 L CA 2.636 57.409 54.840 -0.112 0.000 0.752 372 L CB -0.472 41.519 42.059 -0.114 0.000 0.899 372 L HN 0.602 nan 8.230 nan 0.000 0.433 373 E N -1.341 118.707 120.200 -0.254 0.000 2.051 373 E HA -0.258 4.092 4.350 0.001 0.000 0.192 373 E C 2.191 178.673 176.600 -0.198 0.000 0.991 373 E CA 1.730 57.966 56.400 -0.273 0.000 0.799 373 E CB -0.427 29.015 29.700 -0.431 0.000 0.748 373 E HN 0.698 nan 8.360 nan 0.000 0.449 374 Y N -0.167 119.977 120.300 -0.260 0.000 2.145 374 Y HA -0.286 4.264 4.550 0.001 0.000 0.286 374 Y C 2.951 178.786 175.900 -0.107 0.000 1.145 374 Y CA 0.532 58.419 58.100 -0.354 0.000 1.148 374 Y CB -0.422 37.535 38.460 -0.838 0.000 0.981 374 Y HN 0.328 nan 8.280 nan 0.000 0.507 375 C N 0.429 119.805 119.300 0.127 0.000 2.436 375 C HA -0.164 4.296 4.460 0.001 0.000 0.277 375 C C 3.000 178.067 174.990 0.129 0.000 1.241 375 C CA 1.393 60.520 59.018 0.182 0.000 1.721 375 C CB -1.349 26.490 27.740 0.164 0.000 2.043 375 C HN 0.568 nan 8.230 nan 0.000 0.472 376 A N -0.110 122.753 122.820 0.071 0.000 1.933 376 A HA -0.216 4.105 4.320 0.001 0.000 0.218 376 A C 2.227 179.850 177.584 0.065 0.000 1.175 376 A CA 1.995 54.064 52.037 0.053 0.000 0.628 376 A CB -0.916 18.095 19.000 0.018 0.000 0.814 376 A HN 0.841 nan 8.150 nan 0.000 0.444 377 E N -0.093 120.153 120.200 0.077 0.000 2.031 377 E HA -0.173 4.178 4.350 0.001 0.000 0.193 377 E C 1.948 178.622 176.600 0.124 0.000 0.994 377 E CA 1.319 57.778 56.400 0.099 0.000 0.800 377 E CB -0.222 29.556 29.700 0.129 0.000 0.752 377 E HN 0.616 nan 8.360 nan 0.000 0.447 378 L N 0.568 121.889 121.223 0.164 0.000 2.093 378 L HA -0.118 4.223 4.340 0.001 0.000 0.208 378 L C 2.335 179.294 176.870 0.148 0.000 1.085 378 L CA 0.636 55.578 54.840 0.171 0.000 0.755 378 L CB -0.109 42.088 42.059 0.229 0.000 0.904 378 L HN 0.229 nan 8.230 nan 0.000 0.435 379 L N -0.300 121.007 121.223 0.140 0.000 2.591 379 L HA 0.182 4.522 4.340 0.001 0.000 0.228 379 L C 1.099 178.017 176.870 0.079 0.000 1.133 379 L CA 0.270 55.182 54.840 0.120 0.000 0.880 379 L CB -0.474 41.656 42.059 0.118 0.000 1.033 379 L HN 0.454 nan 8.230 nan 0.000 0.450 380 G N 1.346 110.190 108.800 0.074 0.000 2.272 380 G HA2 -0.263 3.698 3.960 0.001 0.000 0.280 380 G HA3 -0.263 3.698 3.960 0.001 0.000 0.280 380 G C -0.241 174.676 174.900 0.029 0.000 1.067 380 G CA 0.105 45.236 45.100 0.051 0.000 0.902 380 G HN 0.282 nan 8.290 nan 0.000 0.500 381 L N -1.007 120.234 121.223 0.030 0.000 2.323 381 L HA 0.649 4.990 4.340 0.001 0.000 0.265 381 L C 0.066 176.945 176.870 0.014 0.000 1.012 381 L CA -1.357 53.491 54.840 0.015 0.000 0.820 381 L CB 1.623 43.690 42.059 0.013 0.000 1.334 381 L HN 0.148 nan 8.230 nan 0.000 0.427 382 D N 0.147 120.551 120.400 0.006 0.000 2.312 382 D HA 0.112 4.752 4.640 0.001 0.000 0.252 382 D C 0.862 177.162 176.300 0.001 0.000 1.150 382 D CA 0.064 54.065 54.000 0.002 0.000 0.870 382 D CB 1.184 41.984 40.800 -0.000 0.000 1.153 382 D HN 0.508 nan 8.370 nan 0.000 0.457 383 Q N 2.315 122.112 119.800 -0.006 0.000 2.082 383 Q HA -0.244 4.097 4.340 0.001 0.000 0.211 383 Q C 1.050 177.047 176.000 -0.006 0.000 1.002 383 Q CA 2.062 57.857 55.803 -0.013 0.000 0.868 383 Q CB -0.049 28.669 28.738 -0.033 0.000 0.931 383 Q HN 0.666 nan 8.270 nan 0.000 0.414 384 D N 0.524 120.921 120.400 -0.006 0.000 2.117 384 D HA -0.152 4.489 4.640 0.001 0.000 0.197 384 D C 1.479 177.782 176.300 0.006 0.000 0.987 384 D CA 1.073 55.072 54.000 -0.001 0.000 0.829 384 D CB -0.303 40.495 40.800 -0.004 0.000 0.961 384 D HN 0.242 nan 8.370 nan 0.000 0.460 385 D N 0.609 121.012 120.400 0.005 0.000 2.133 385 D HA -0.140 4.501 4.640 0.001 0.000 0.195 385 D C 2.231 178.540 176.300 0.016 0.000 0.997 385 D CA 0.477 54.482 54.000 0.007 0.000 0.840 385 D CB -0.172 40.630 40.800 0.002 0.000 0.947 385 D HN 0.149 nan 8.370 nan 0.000 0.452 386 L N 1.097 122.332 121.223 0.020 0.000 2.027 386 L HA -0.073 4.268 4.340 0.001 0.000 0.206 386 L C 2.355 179.256 176.870 0.052 0.000 1.074 386 L CA 1.527 56.388 54.840 0.035 0.000 0.745 386 L CB -0.469 41.611 42.059 0.036 0.000 0.898 386 L HN -0.159 nan 8.230 nan 0.000 0.433 387 R N -0.815 119.711 120.500 0.044 0.000 2.083 387 R HA -0.159 4.182 4.340 0.001 0.000 0.237 387 R C 2.106 178.446 176.300 0.066 0.000 1.137 387 R CA 2.124 58.263 56.100 0.064 0.000 0.951 387 R CB -0.450 29.872 30.300 0.036 0.000 0.851 387 R HN 0.363 nan 8.270 nan 0.000 0.434 388 V N 0.533 120.470 119.914 0.038 0.000 2.287 388 V HA -0.251 3.869 4.120 0.001 0.000 0.248 388 V C 2.290 178.398 176.094 0.022 0.000 1.053 388 V CA 2.190 64.506 62.300 0.025 0.000 1.027 388 V CB -0.383 31.450 31.823 0.015 0.000 0.646 388 V HN 0.411 nan 8.190 nan 0.000 0.447 389 S N 0.106 115.823 115.700 0.029 0.000 2.383 389 S HA -0.092 4.378 4.470 0.001 0.000 0.229 389 S C 1.655 176.267 174.600 0.020 0.000 1.030 389 S CA 1.399 59.614 58.200 0.026 0.000 1.002 389 S CB -0.304 62.917 63.200 0.035 0.000 0.829 389 S HN 0.522 nan 8.310 nan 0.000 0.467 390 L N 0.221 121.476 121.223 0.054 0.000 2.591 390 L HA 0.179 4.519 4.340 0.001 0.000 0.228 390 L C 1.943 178.788 176.870 -0.042 0.000 1.133 390 L CA 0.637 55.513 54.840 0.059 0.000 0.880 390 L CB -0.080 42.120 42.059 0.236 0.000 1.033 390 L HN 0.257 nan 8.230 nan 0.000 0.450 391 T N -2.286 112.252 114.554 -0.028 0.000 3.009 391 T HA 0.099 4.449 4.350 0.001 0.000 0.267 391 T C 0.976 175.639 174.700 -0.062 0.000 0.942 391 T CA -0.010 62.051 62.100 -0.064 0.000 0.883 391 T CB 0.238 69.110 68.868 0.006 0.000 1.192 391 T HN 0.062 nan 8.240 nan 0.000 0.524 411 L N 1.864 123.039 121.223 -0.080 0.000 2.346 411 L HA 0.556 4.896 4.340 0.001 0.000 0.274 411 L C 0.697 177.497 176.870 -0.116 0.000 1.007 411 L CA -0.968 53.806 54.840 -0.111 0.000 0.818 411 L CB 2.277 44.242 42.059 -0.156 0.000 1.284 411 L HN 0.177 nan 8.230 nan 0.000 0.424 412 K N 0.629 120.963 120.400 -0.109 0.000 2.149 412 K HA 0.148 4.469 4.320 0.001 0.000 0.245 412 K C 0.939 177.448 176.600 -0.150 0.000 1.024 412 K CA -0.588 55.641 56.287 -0.098 0.000 0.899 412 K CB 1.064 33.523 32.500 -0.068 0.000 1.038 412 K HN 0.292 nan 8.250 nan 0.000 0.496 413 V N 1.463 121.311 119.914 -0.109 0.000 2.287 413 V HA -0.264 3.857 4.120 0.001 0.000 0.248 413 V C 2.025 178.036 176.094 -0.139 0.000 1.053 413 V CA 1.826 64.055 62.300 -0.117 0.000 1.027 413 V CB -0.549 31.272 31.823 -0.002 0.000 0.646 413 V HN 0.722 nan 8.190 nan 0.000 0.447 414 E N -0.398 119.755 120.200 -0.079 0.000 2.077 414 E HA -0.280 4.070 4.350 0.001 0.000 0.193 414 E C 2.341 178.887 176.600 -0.089 0.000 0.989 414 E CA 1.441 57.808 56.400 -0.055 0.000 0.800 414 E CB -0.151 29.530 29.700 -0.030 0.000 0.746 414 E HN 0.679 nan 8.360 nan 0.000 0.452 415 Q N -0.214 119.511 119.800 -0.124 0.000 2.224 415 Q HA -0.087 4.253 4.340 0.001 0.000 0.203 415 Q C 2.048 177.921 176.000 -0.211 0.000 0.970 415 Q CA 1.055 56.776 55.803 -0.137 0.000 0.865 415 Q CB 0.014 28.674 28.738 -0.130 0.000 0.922 415 Q HN 0.201 nan 8.270 nan 0.000 0.445 416 A N 1.203 123.795 122.820 -0.379 0.000 1.898 416 A HA -0.153 4.167 4.320 0.001 0.000 0.214 416 A C 1.716 178.996 177.584 -0.507 0.000 1.183 416 A CA 1.104 52.704 52.037 -0.728 0.000 0.622 416 A CB -0.288 17.774 19.000 -1.564 0.000 0.824 416 A HN 0.260 nan 8.150 nan 0.000 0.444 417 N N 1.222 119.782 118.700 -0.233 0.000 2.069 417 N HA -0.146 4.594 4.740 0.001 0.000 0.191 417 N C 1.205 176.779 175.510 0.108 0.000 1.031 417 N CA 1.632 54.759 53.050 0.128 0.000 0.852 417 N CB -0.588 37.977 38.487 0.130 0.000 1.018 417 N HN 0.468 nan 8.380 nan 0.000 0.423 418 N N 0.865 119.581 118.700 0.026 0.000 2.309 418 N HA -0.004 4.737 4.740 0.001 0.000 0.182 418 N C 1.551 177.091 175.510 0.050 0.000 1.018 418 N CA 0.834 53.909 53.050 0.041 0.000 0.876 418 N CB -0.308 38.185 38.487 0.011 0.000 0.972 418 N HN 0.250 nan 8.380 nan 0.000 0.434 419 A N 1.379 124.210 122.820 0.018 0.000 1.872 419 A HA -0.104 4.216 4.320 0.001 0.000 0.214 419 A C 2.248 179.900 177.584 0.113 0.000 1.187 419 A CA 1.133 53.192 52.037 0.037 0.000 0.614 419 A CB -0.445 18.541 19.000 -0.024 0.000 0.826 419 A HN 0.219 nan 8.150 nan 0.000 0.442 420 R N -0.336 120.266 120.500 0.171 0.000 2.081 420 R HA -0.178 4.162 4.340 0.001 0.000 0.235 420 R C 1.248 177.702 176.300 0.258 0.000 1.131 420 R CA 1.992 58.239 56.100 0.245 0.000 0.960 420 R CB -0.413 30.096 30.300 0.348 0.000 0.856 420 R HN 0.410 nan 8.270 nan 0.000 0.436 421 D N 0.380 120.921 120.400 0.234 0.000 2.117 421 D HA -0.073 4.567 4.640 0.001 0.000 0.198 421 D C 1.761 178.147 176.300 0.144 0.000 0.982 421 D CA 1.583 55.704 54.000 0.201 0.000 0.828 421 D CB -0.273 40.613 40.800 0.144 0.000 0.967 421 D HN 0.381 nan 8.370 nan 0.000 0.464 422 A N 0.482 123.381 122.820 0.130 0.000 1.972 422 A HA -0.115 4.206 4.320 0.001 0.000 0.219 422 A C 2.117 179.794 177.584 0.155 0.000 1.169 422 A CA 0.910 53.023 52.037 0.127 0.000 0.635 422 A CB -0.594 18.473 19.000 0.113 0.000 0.810 422 A HN 0.250 nan 8.150 nan 0.000 0.446 423 L N -0.404 120.919 121.223 0.167 0.000 2.056 423 L HA 0.028 4.369 4.340 0.001 0.000 0.207 423 L C 2.644 179.648 176.870 0.223 0.000 1.078 423 L CA 2.067 57.017 54.840 0.184 0.000 0.749 423 L CB -0.735 41.420 42.059 0.160 0.000 0.901 423 L HN 0.310 nan 8.230 nan 0.000 0.433 424 A N -0.437 122.526 122.820 0.240 0.000 1.877 424 A HA -0.231 4.089 4.320 0.001 0.000 0.216 424 A C 2.337 180.069 177.584 0.246 0.000 1.186 424 A CA 1.998 54.201 52.037 0.277 0.000 0.620 424 A CB -0.538 18.664 19.000 0.337 0.000 0.822 424 A HN 0.495 nan 8.150 nan 0.000 0.443 425 K N -0.937 119.569 120.400 0.177 0.000 2.032 425 K HA -0.118 4.202 4.320 0.001 0.000 0.209 425 K C 2.148 178.892 176.600 0.239 0.000 1.048 425 K CA 1.866 58.262 56.287 0.182 0.000 0.927 425 K CB -0.497 32.077 32.500 0.124 0.000 0.712 425 K HN 0.512 nan 8.250 nan 0.000 0.441 426 T N 1.143 115.832 114.554 0.224 0.000 2.777 426 T HA -0.095 4.256 4.350 0.001 0.000 0.266 426 T C 2.082 176.911 174.700 0.214 0.000 1.040 426 T CA 1.130 63.363 62.100 0.222 0.000 1.141 426 T CB -0.192 68.793 68.868 0.195 0.000 0.868 426 T HN -0.057 nan 8.240 nan 0.000 0.444 427 V N 0.358 120.442 119.914 0.284 0.000 2.295 427 V HA -0.170 3.951 4.120 0.001 0.000 0.246 427 V C 2.043 178.297 176.094 0.266 0.000 1.049 427 V CA 1.585 64.069 62.300 0.308 0.000 1.024 427 V CB -0.707 31.319 31.823 0.339 0.000 0.648 427 V HN 0.462 nan 8.190 nan 0.000 0.447 428 Y N 0.780 121.200 120.300 0.201 0.000 2.181 428 Y HA -0.249 4.302 4.550 0.001 0.000 0.288 428 Y C 2.953 178.930 175.900 0.128 0.000 1.146 428 Y CA 1.918 60.126 58.100 0.180 0.000 1.164 428 Y CB -0.382 38.203 38.460 0.209 0.000 0.982 428 Y HN 0.235 nan 8.280 nan 0.000 0.515 429 S N -0.968 114.860 115.700 0.213 0.000 2.368 429 S HA -0.239 4.231 4.470 0.001 0.000 0.225 429 S C 1.976 176.583 174.600 0.013 0.000 1.030 429 S CA 1.613 59.885 58.200 0.120 0.000 0.999 429 S CB -0.662 62.637 63.200 0.165 0.000 0.844 429 S HN 0.672 nan 8.310 nan 0.000 0.459 430 H N -0.154 118.836 119.070 -0.132 0.000 2.457 430 H HA -0.021 4.535 4.556 0.001 0.000 0.294 430 H C 2.093 177.281 175.328 -0.233 0.000 1.064 430 H CA 1.361 57.262 56.048 -0.245 0.000 1.330 430 H CB -0.118 29.352 29.762 -0.486 0.000 1.395 430 H HN 0.332 nan 8.280 nan 0.000 0.541 431 L N 0.293 121.449 121.223 -0.111 0.000 2.056 431 L HA -0.137 4.204 4.340 0.001 0.000 0.207 431 L C 2.286 178.942 176.870 -0.357 0.000 1.078 431 L CA 1.249 55.958 54.840 -0.219 0.000 0.749 431 L CB -0.780 41.140 42.059 -0.231 0.000 0.901 431 L HN 0.068 nan 8.230 nan 0.000 0.433 432 F N 0.336 119.937 119.950 -0.583 0.000 2.102 432 F HA -0.270 4.257 4.527 0.001 0.000 0.298 432 F C 2.168 177.635 175.800 -0.556 0.000 1.105 432 F CA 1.877 59.504 58.000 -0.622 0.000 1.239 432 F CB -0.180 38.481 39.000 -0.565 0.000 0.991 432 F HN 0.207 nan 8.300 nan 0.000 0.474 433 D N -0.846 119.320 120.400 -0.389 0.000 2.133 433 D HA -0.272 4.369 4.640 0.001 0.000 0.195 433 D C 2.224 178.251 176.300 -0.456 0.000 0.997 433 D CA 1.697 55.452 54.000 -0.408 0.000 0.840 433 D CB -0.935 39.727 40.800 -0.229 0.000 0.947 433 D HN 0.465 nan 8.370 nan 0.000 0.452 434 H N 0.918 119.724 119.070 -0.439 0.000 2.321 434 H HA -0.078 4.478 4.556 0.001 0.000 0.300 434 H C 2.049 177.101 175.328 -0.459 0.000 1.087 434 H CA 1.246 57.058 56.048 -0.393 0.000 1.319 434 H CB -0.027 29.530 29.762 -0.342 0.000 1.379 434 H HN -0.042 nan 8.280 nan 0.000 0.501 435 V N 0.768 120.334 119.914 -0.579 0.000 2.343 435 V HA -0.222 3.899 4.120 0.001 0.000 0.247 435 V C 3.031 178.673 176.094 -0.754 0.000 1.051 435 V CA 1.412 63.288 62.300 -0.706 0.000 1.036 435 V CB -0.652 30.591 31.823 -0.966 0.000 0.654 435 V HN 0.238 nan 8.190 nan 0.000 0.451 436 V N 0.723 120.067 119.914 -0.950 0.000 2.343 436 V HA -0.294 3.826 4.120 0.001 0.000 0.247 436 V C 2.342 178.058 176.094 -0.630 0.000 1.051 436 V CA 2.440 64.215 62.300 -0.874 0.000 1.036 436 V CB -0.970 30.121 31.823 -1.220 0.000 0.654 436 V HN 0.688 nan 8.190 nan 0.000 0.451 437 N N 0.345 118.696 118.700 -0.581 0.000 2.120 437 N HA -0.248 4.493 4.740 0.001 0.000 0.188 437 N C 2.099 177.329 175.510 -0.468 0.000 1.024 437 N CA 1.547 54.322 53.050 -0.459 0.000 0.852 437 N CB -0.017 38.239 38.487 -0.384 0.000 1.003 437 N HN 0.272 nan 8.380 nan 0.000 0.424 438 R N 1.104 121.254 120.500 -0.583 0.000 2.105 438 R HA -0.030 4.311 4.340 0.001 0.000 0.239 438 R C 2.117 178.154 176.300 -0.440 0.000 1.135 438 R CA 1.110 56.904 56.100 -0.511 0.000 0.967 438 R CB -0.872 29.095 30.300 -0.555 0.000 0.861 438 R HN 0.088 nan 8.270 nan 0.000 0.442 439 V N 1.357 120.989 119.914 -0.469 0.000 2.343 439 V HA -0.223 3.898 4.120 0.001 0.000 0.247 439 V C 1.650 177.358 176.094 -0.643 0.000 1.051 439 V CA 2.070 64.067 62.300 -0.505 0.000 1.036 439 V CB -0.594 30.994 31.823 -0.392 0.000 0.654 439 V HN 0.400 nan 8.190 nan 0.000 0.451 440 N N -0.078 118.362 118.700 -0.434 0.000 2.381 440 N HA -0.148 4.592 4.740 0.001 0.000 0.182 440 N C 1.818 177.202 175.510 -0.210 0.000 1.025 440 N CA 0.934 53.841 53.050 -0.238 0.000 0.888 440 N CB -0.236 38.081 38.487 -0.284 0.000 0.965 440 N HN 0.597 nan 8.380 nan 0.000 0.438 441 Q N -0.331 119.295 119.800 -0.290 0.000 2.436 441 Q HA -0.023 4.318 4.340 0.001 0.000 0.209 441 Q C 2.042 177.897 176.000 -0.241 0.000 0.965 441 Q CA 0.716 56.386 55.803 -0.222 0.000 0.910 441 Q CB -0.011 28.595 28.738 -0.220 0.000 0.980 441 Q HN 0.602 nan 8.270 nan 0.000 0.491 442 C N -0.750 118.299 119.300 -0.420 0.000 2.590 442 C HA 0.165 4.626 4.460 0.001 0.000 0.272 442 C C 0.797 175.612 174.990 -0.291 0.000 1.338 442 C CA -0.752 58.023 59.018 -0.405 0.000 1.746 442 C CB -0.511 26.928 27.740 -0.503 0.000 2.020 442 C HN 0.365 nan 8.230 nan 0.000 0.531 443 F N 0.875 120.814 119.950 -0.019 0.000 2.577 443 F HA 0.628 5.155 4.527 0.001 0.000 0.342 443 F C -2.661 173.206 175.800 0.112 0.000 1.479 443 F CA -4.267 53.752 58.000 0.032 0.000 1.110 443 F CB -1.241 37.776 39.000 0.028 0.000 1.306 443 F HN -0.048 nan 8.300 nan 0.000 0.554 444 P HA 0.478 nan 4.420 nan 0.000 0.276 444 P C -0.911 176.529 177.300 0.234 0.000 1.261 444 P CA -0.079 63.113 63.100 0.153 0.000 0.800 444 P CB 1.666 33.361 31.700 -0.008 0.000 1.066 445 F N -3.087 116.858 119.950 -0.009 0.000 2.628 445 F HA 0.497 5.024 4.527 0.001 0.000 0.309 445 F C 0.885 176.652 175.800 -0.055 0.000 1.108 445 F CA -0.972 57.005 58.000 -0.038 0.000 0.971 445 F CB 0.950 39.910 39.000 -0.066 0.000 1.279 445 F HN 0.199 nan 8.300 nan 0.000 0.441 446 E N 0.159 120.395 120.200 0.061 0.000 2.051 446 E HA 0.056 4.407 4.350 0.001 0.000 0.189 446 E C 0.323 176.956 176.600 0.055 0.000 0.979 446 E CA 1.295 57.690 56.400 -0.009 0.000 0.803 446 E CB 0.148 29.857 29.700 0.015 0.000 0.761 446 E HN 0.620 nan 8.360 nan 0.000 0.451 447 T N -0.414 114.247 114.554 0.178 0.000 2.883 447 T HA 0.432 4.782 4.350 0.001 0.000 0.301 447 T C -1.444 173.388 174.700 0.220 0.000 1.158 447 T CA -0.472 61.737 62.100 0.181 0.000 1.007 447 T CB 1.763 70.675 68.868 0.074 0.000 1.186 447 T HN 0.178 nan 8.240 nan 0.000 0.499 448 S N 1.004 116.793 115.700 0.148 0.000 2.625 448 S HA 0.611 5.081 4.470 0.001 0.000 0.271 448 S C 0.342 174.916 174.600 -0.044 0.000 1.161 448 S CA -0.506 57.714 58.200 0.034 0.000 0.820 448 S CB 1.467 64.661 63.200 -0.010 0.000 1.137 448 S HN 0.539 nan 8.310 nan 0.000 0.470 449 S N -0.398 115.170 115.700 -0.219 0.000 2.506 449 S HA 0.394 4.864 4.470 0.001 0.000 0.230 449 S C -0.709 173.395 174.600 -0.826 0.000 1.066 449 S CA 0.317 58.135 58.200 -0.638 0.000 0.940 449 S CB -0.325 62.265 63.200 -1.017 0.000 0.818 449 S HN 0.738 nan 8.310 nan 0.000 0.518 450 Y N 0.093 120.432 120.300 0.065 0.000 2.655 450 Y HA 0.631 5.181 4.550 0.001 0.000 0.336 450 Y C -0.831 175.093 175.900 0.041 0.000 1.154 450 Y CA -1.995 56.085 58.100 -0.035 0.000 1.055 450 Y CB 1.074 39.423 38.460 -0.185 0.000 1.295 450 Y HN 0.150 nan 8.280 nan 0.000 0.465 451 F N -0.904 119.061 119.950 0.024 0.000 2.629 451 F HA 0.889 5.416 4.527 0.001 0.000 0.316 451 F C -1.792 174.006 175.800 -0.003 0.000 1.081 451 F CA -1.801 56.115 58.000 -0.139 0.000 0.954 451 F CB 1.371 39.937 39.000 -0.724 0.000 1.337 451 F HN 0.287 nan 8.300 nan 0.000 0.474 452 I N 1.856 122.599 120.570 0.287 0.000 2.382 452 I HA 0.592 4.762 4.170 0.001 0.000 0.286 452 I C 0.021 176.290 176.117 0.253 0.000 1.002 452 I CA -0.746 60.668 61.300 0.191 0.000 1.135 452 I CB 1.624 39.752 38.000 0.214 0.000 1.288 452 I HN 0.961 nan 8.210 nan 0.000 0.448 453 G N 5.498 114.462 108.800 0.274 0.000 2.415 453 G HA2 0.643 4.603 3.960 0.001 0.000 0.327 453 G HA3 0.643 4.603 3.960 0.001 0.000 0.327 453 G C -1.063 173.861 174.900 0.040 0.000 1.182 453 G CA -0.388 44.651 45.100 -0.102 0.000 0.924 453 G HN 0.309 nan 8.290 nan 0.000 0.470 454 V N 2.875 122.740 119.914 -0.083 0.000 2.444 454 V HA 0.363 4.483 4.120 0.001 0.000 0.294 454 V C -0.479 175.806 176.094 0.317 0.000 1.022 454 V CA -0.802 61.591 62.300 0.156 0.000 0.850 454 V CB 1.368 33.252 31.823 0.103 0.000 0.992 454 V HN 0.654 nan 8.190 nan 0.000 0.426 455 L N 4.293 125.782 121.223 0.444 0.000 2.264 455 L HA 0.649 4.989 4.340 0.001 0.000 0.289 455 L C -0.414 176.598 176.870 0.237 0.000 1.044 455 L CA 0.365 55.468 54.840 0.438 0.000 0.807 455 L CB 1.201 43.423 42.059 0.273 0.000 1.192 455 L HN 0.725 nan 8.230 nan 0.000 0.425 456 D N 5.901 126.425 120.400 0.207 0.000 2.404 456 D HA 0.370 5.010 4.640 0.001 0.000 0.267 456 D C -1.269 175.075 176.300 0.074 0.000 1.194 456 D CA -0.034 54.029 54.000 0.104 0.000 0.910 456 D CB 0.376 41.210 40.800 0.058 0.000 1.090 456 D HN 0.515 nan 8.370 nan 0.000 0.511 457 I N 1.570 122.180 120.570 0.067 0.000 2.722 457 I HA 0.674 4.845 4.170 0.001 0.000 0.295 457 I C -0.520 175.614 176.117 0.027 0.000 1.161 457 I CA -0.911 60.417 61.300 0.046 0.000 1.032 457 I CB 1.922 39.966 38.000 0.074 0.000 1.244 457 I HN 0.380 nan 8.210 nan 0.000 0.421 458 A N 4.366 127.195 122.820 0.015 0.000 2.425 458 A HA 0.621 4.941 4.320 0.001 0.000 0.242 458 A C 0.327 177.930 177.584 0.032 0.000 1.077 458 A CA 0.580 52.630 52.037 0.021 0.000 0.781 458 A CB 0.184 19.201 19.000 0.029 0.000 1.020 458 A HN 0.926 nan 8.150 nan 0.000 0.494 459 G N -0.574 108.252 108.800 0.042 0.000 2.990 459 G HA2 0.500 4.461 3.960 0.001 0.000 0.208 459 G HA3 0.500 4.461 3.960 0.001 0.000 0.208 459 G C -0.407 174.562 174.900 0.114 0.000 1.334 459 G CA -0.728 44.416 45.100 0.073 0.000 1.024 459 G HN 0.794 nan 8.290 nan 0.000 0.574 460 F N 0.867 120.838 119.950 0.035 0.000 2.563 460 F HA 0.495 5.023 4.527 0.001 0.000 0.363 460 F C 0.292 176.134 175.800 0.070 0.000 1.123 460 F CA 0.098 58.135 58.000 0.061 0.000 1.307 460 F CB 0.741 39.772 39.000 0.052 0.000 1.115 460 F HN 0.534 nan 8.300 nan 0.000 0.592 461 E N 4.697 124.204 120.200 -1.156 0.000 2.390 461 E HA 0.164 4.515 4.350 0.001 0.000 0.280 461 E C -2.042 173.944 176.600 -1.023 0.000 0.992 461 E CA -0.957 54.907 56.400 -0.895 0.000 0.790 461 E CB 1.025 30.462 29.700 -0.438 0.000 1.248 461 E HN 0.636 nan 8.360 nan 0.000 0.447 462 Y N 3.550 123.368 120.300 -0.804 0.000 2.465 462 Y HA 0.387 4.937 4.550 0.001 0.000 0.331 462 Y C -1.501 174.016 175.900 -0.638 0.000 1.102 462 Y CA 0.488 58.290 58.100 -0.496 0.000 1.358 462 Y CB 0.299 38.594 38.460 -0.275 0.000 1.213 462 Y HN 0.350 nan 8.280 nan 0.000 0.525 463 F N 4.438 123.853 119.950 -0.891 0.000 2.565 463 F HA 0.242 4.769 4.527 0.001 0.000 0.313 463 F C 0.962 176.126 175.800 -1.061 0.000 1.091 463 F CA -0.848 56.717 58.000 -0.725 0.000 0.915 463 F CB 1.910 40.725 39.000 -0.308 0.000 1.208 463 F HN 0.618 nan 8.300 nan 0.000 0.453 464 E N 0.605 120.474 120.200 -0.552 0.000 2.216 464 E HA -0.056 4.295 4.350 0.001 0.000 0.192 464 E C -0.345 175.959 176.600 -0.493 0.000 0.988 464 E CA 1.044 57.168 56.400 -0.461 0.000 0.834 464 E CB -0.005 29.553 29.700 -0.237 0.000 0.772 464 E HN 0.461 nan 8.360 nan 0.000 0.479 465 H N 0.970 120.048 119.070 0.013 0.000 2.587 465 H HA 0.350 4.907 4.556 0.001 0.000 0.325 465 H C -1.136 174.206 175.328 0.023 0.000 1.012 465 H CA -0.841 55.230 56.048 0.039 0.000 1.213 465 H CB 1.060 30.854 29.762 0.054 0.000 1.431 465 H HN 0.074 nan 8.280 nan 0.000 0.492 466 N N 1.364 120.137 118.700 0.120 0.000 2.439 466 N HA 0.187 4.928 4.740 0.001 0.000 0.249 466 N C 0.048 175.746 175.510 0.313 0.000 1.003 466 N CA -0.136 52.977 53.050 0.105 0.000 0.942 466 N CB 1.544 39.991 38.487 -0.068 0.000 1.115 466 N HN 0.386 nan 8.380 nan 0.000 0.505 467 S N 1.189 117.056 115.700 0.277 0.000 2.618 467 S HA 0.339 4.809 4.470 0.001 0.000 0.284 467 S C 0.692 175.482 174.600 0.317 0.000 1.102 467 S CA -0.550 57.889 58.200 0.398 0.000 0.984 467 S CB 0.216 63.538 63.200 0.204 0.000 1.280 467 S HN 0.495 nan 8.310 nan 0.000 0.525 468 F N 1.745 121.540 119.950 -0.258 0.000 2.186 468 F HA 0.081 4.609 4.527 0.001 0.000 0.299 468 F C 2.006 177.680 175.800 -0.209 0.000 1.090 468 F CA 1.977 59.558 58.000 -0.697 0.000 1.307 468 F CB -0.549 37.856 39.000 -0.991 0.000 1.019 468 F HN 0.606 nan 8.300 nan 0.000 0.489 469 E N 0.098 120.194 120.200 -0.174 0.000 2.070 469 E HA -0.280 4.070 4.350 0.001 0.000 0.197 469 E C 2.058 178.528 176.600 -0.215 0.000 1.004 469 E CA 1.900 58.169 56.400 -0.219 0.000 0.805 469 E CB -0.330 29.273 29.700 -0.161 0.000 0.744 469 E HN 0.415 nan 8.360 nan 0.000 0.451 470 Q N -0.651 119.064 119.800 -0.142 0.000 2.119 470 Q HA -0.063 4.278 4.340 0.001 0.000 0.201 470 Q C 1.807 177.919 176.000 0.188 0.000 0.972 470 Q CA 0.929 56.708 55.803 -0.039 0.000 0.847 470 Q CB -0.325 28.394 28.738 -0.032 0.000 0.903 470 Q HN 0.298 nan 8.270 nan 0.000 0.433 471 F N 0.007 120.005 119.950 0.080 0.000 2.095 471 F HA -0.302 4.225 4.527 0.001 0.000 0.298 471 F C 1.868 177.615 175.800 -0.089 0.000 1.104 471 F CA 1.361 59.335 58.000 -0.043 0.000 1.232 471 F CB -0.432 38.389 39.000 -0.298 0.000 0.987 471 F HN 0.078 nan 8.300 nan 0.000 0.475 472 C N 0.261 119.413 119.300 -0.248 0.000 2.429 472 C HA -0.156 4.304 4.460 0.001 0.000 0.277 472 C C 2.816 177.752 174.990 -0.090 0.000 1.262 472 C CA 0.521 59.416 59.018 -0.204 0.000 1.733 472 C CB -1.220 26.247 27.740 -0.454 0.000 2.010 472 C HN 0.482 nan 8.230 nan 0.000 0.483 473 I N 1.733 122.222 120.570 -0.135 0.000 2.353 473 I HA -0.090 4.080 4.170 0.001 0.000 0.248 473 I C 1.986 178.094 176.117 -0.015 0.000 1.119 473 I CA 1.541 62.797 61.300 -0.073 0.000 1.417 473 I CB -1.248 36.716 38.000 -0.060 0.000 1.078 473 I HN 0.405 nan 8.210 nan 0.000 0.421 474 N N 0.152 118.836 118.700 -0.027 0.000 2.270 474 N HA -0.212 4.529 4.740 0.001 0.000 0.181 474 N C 1.841 177.299 175.510 -0.088 0.000 1.016 474 N CA 0.811 53.785 53.050 -0.127 0.000 0.870 474 N CB -0.547 37.725 38.487 -0.357 0.000 0.979 474 N HN 0.379 nan 8.380 nan 0.000 0.431 475 Y N 1.376 121.575 120.300 -0.169 0.000 2.145 475 Y HA -0.195 4.355 4.550 0.001 0.000 0.286 475 Y C 2.593 178.492 175.900 -0.002 0.000 1.145 475 Y CA 0.942 58.980 58.100 -0.103 0.000 1.148 475 Y CB -0.994 37.333 38.460 -0.221 0.000 0.981 475 Y HN 0.136 nan 8.280 nan 0.000 0.507 476 C N 1.677 120.848 119.300 -0.216 0.000 2.398 476 C HA -0.238 4.222 4.460 0.001 0.000 0.276 476 C C 2.789 177.687 174.990 -0.154 0.000 1.222 476 C CA 2.055 60.937 59.018 -0.226 0.000 1.746 476 C CB -1.858 25.918 27.740 0.060 0.000 2.039 476 C HN 0.797 nan 8.230 nan 0.000 0.470 477 N N -0.143 118.520 118.700 -0.063 0.000 2.166 477 N HA -0.151 4.589 4.740 0.001 0.000 0.186 477 N C 1.659 177.151 175.510 -0.030 0.000 1.019 477 N CA 1.337 54.370 53.050 -0.027 0.000 0.856 477 N CB -0.285 38.220 38.487 0.030 0.000 0.993 477 N HN 0.586 nan 8.380 nan 0.000 0.426 478 E N 1.284 121.488 120.200 0.007 0.000 2.058 478 E HA -0.160 4.191 4.350 0.001 0.000 0.194 478 E C 1.917 178.517 176.600 -0.001 0.000 0.997 478 E CA 1.044 57.480 56.400 0.060 0.000 0.801 478 E CB -0.198 29.599 29.700 0.161 0.000 0.746 478 E HN 0.475 nan 8.360 nan 0.000 0.450 479 K N 0.363 120.714 120.400 -0.082 0.000 2.097 479 K HA -0.040 4.281 4.320 0.001 0.000 0.205 479 K C 2.406 178.992 176.600 -0.024 0.000 1.050 479 K CA 0.733 56.968 56.287 -0.088 0.000 0.938 479 K CB -0.130 32.225 32.500 -0.242 0.000 0.718 479 K HN 0.137 nan 8.250 nan 0.000 0.442 480 L N 0.635 121.835 121.223 -0.039 0.000 2.131 480 L HA -0.126 4.214 4.340 0.001 0.000 0.206 480 L C 2.682 179.630 176.870 0.130 0.000 1.087 480 L CA 0.735 55.609 54.840 0.057 0.000 0.767 480 L CB -0.270 41.797 42.059 0.013 0.000 0.917 480 L HN 0.127 nan 8.230 nan 0.000 0.441 481 Q N 0.501 120.290 119.800 -0.017 0.000 2.084 481 Q HA -0.266 4.075 4.340 0.001 0.000 0.202 481 Q C 2.140 178.123 176.000 -0.028 0.000 0.978 481 Q CA 1.745 57.459 55.803 -0.149 0.000 0.844 481 Q CB -0.180 28.282 28.738 -0.461 0.000 0.898 481 Q HN 0.396 nan 8.270 nan 0.000 0.426 482 Q N -1.201 118.623 119.800 0.040 0.000 2.061 482 Q HA -0.199 4.142 4.340 0.001 0.000 0.204 482 Q C 1.854 177.956 176.000 0.170 0.000 0.984 482 Q CA 1.652 57.532 55.803 0.127 0.000 0.846 482 Q CB -0.340 28.480 28.738 0.136 0.000 0.902 482 Q HN 0.501 nan 8.270 nan 0.000 0.421 483 F N 0.508 120.496 119.950 0.063 0.000 2.095 483 F HA -0.258 4.269 4.527 0.001 0.000 0.298 483 F C 1.892 177.763 175.800 0.118 0.000 1.104 483 F CA 1.795 59.855 58.000 0.100 0.000 1.232 483 F CB -0.703 38.375 39.000 0.130 0.000 0.987 483 F HN 0.224 nan 8.300 nan 0.000 0.475 484 F N 1.253 121.154 119.950 -0.082 0.000 2.095 484 F HA -0.258 4.270 4.527 0.001 0.000 0.298 484 F C 2.162 177.685 175.800 -0.463 0.000 1.104 484 F CA 2.466 60.151 58.000 -0.526 0.000 1.232 484 F CB -0.943 37.743 39.000 -0.523 0.000 0.987 484 F HN 0.040 nan 8.300 nan 0.000 0.475 485 N N -0.031 118.547 118.700 -0.203 0.000 2.069 485 N HA -0.220 4.520 4.740 0.001 0.000 0.191 485 N C 1.676 176.944 175.510 -0.404 0.000 1.031 485 N CA 1.645 54.551 53.050 -0.239 0.000 0.852 485 N CB -0.280 38.266 38.487 0.099 0.000 1.018 485 N HN 0.457 nan 8.380 nan 0.000 0.423 486 E N 0.572 120.577 120.200 -0.324 0.000 2.038 486 E HA -0.141 4.210 4.350 0.001 0.000 0.195 486 E C 2.079 178.448 176.600 -0.385 0.000 1.000 486 E CA 0.866 57.055 56.400 -0.352 0.000 0.803 486 E CB 0.112 29.698 29.700 -0.190 0.000 0.750 486 E HN 0.213 nan 8.360 nan 0.000 0.448 487 R N 0.529 120.754 120.500 -0.458 0.000 2.081 487 R HA -0.102 4.239 4.340 0.001 0.000 0.235 487 R C 2.260 178.338 176.300 -0.370 0.000 1.131 487 R CA 0.898 56.759 56.100 -0.398 0.000 0.960 487 R CB -0.767 29.315 30.300 -0.364 0.000 0.856 487 R HN 0.245 nan 8.270 nan 0.000 0.436 488 I N 0.879 121.102 120.570 -0.578 0.000 2.226 488 I HA -0.215 3.955 4.170 0.001 0.000 0.245 488 I C 2.404 178.316 176.117 -0.342 0.000 1.100 488 I CA 0.767 61.755 61.300 -0.520 0.000 1.374 488 I CB -1.162 36.355 38.000 -0.805 0.000 1.057 488 I HN 0.082 nan 8.210 nan 0.000 0.413 489 L N 1.210 122.213 121.223 -0.366 0.000 2.012 489 L HA -0.234 4.107 4.340 0.001 0.000 0.210 489 L C 2.705 179.430 176.870 -0.241 0.000 1.073 489 L CA 1.961 56.617 54.840 -0.307 0.000 0.748 489 L CB -0.617 41.203 42.059 -0.398 0.000 0.891 489 L HN 0.182 nan 8.230 nan 0.000 0.431 490 K N -0.326 119.935 120.400 -0.232 0.000 2.032 490 K HA -0.256 4.065 4.320 0.001 0.000 0.209 490 K C 1.919 178.443 176.600 -0.127 0.000 1.048 490 K CA 2.101 58.287 56.287 -0.168 0.000 0.927 490 K CB -0.287 32.117 32.500 -0.159 0.000 0.712 490 K HN 0.499 nan 8.250 nan 0.000 0.441 491 E N 0.188 120.312 120.200 -0.126 0.000 2.085 491 E HA -0.181 4.170 4.350 0.001 0.000 0.194 491 E C 2.098 178.673 176.600 -0.041 0.000 0.994 491 E CA 1.191 57.545 56.400 -0.077 0.000 0.801 491 E CB 0.078 29.737 29.700 -0.068 0.000 0.743 491 E HN 0.359 nan 8.360 nan 0.000 0.453 492 E N 0.708 120.872 120.200 -0.059 0.000 2.072 492 E HA -0.177 4.174 4.350 0.001 0.000 0.191 492 E C 2.114 178.709 176.600 -0.008 0.000 0.985 492 E CA 0.876 57.278 56.400 0.003 0.000 0.801 492 E CB -0.123 29.531 29.700 -0.076 0.000 0.750 492 E HN 0.381 nan 8.360 nan 0.000 0.452 493 Q N 0.544 120.276 119.800 -0.113 0.000 2.061 493 Q HA -0.206 4.135 4.340 0.001 0.000 0.204 493 Q C 2.115 178.105 176.000 -0.018 0.000 0.984 493 Q CA 1.490 57.230 55.803 -0.104 0.000 0.846 493 Q CB -0.146 28.521 28.738 -0.118 0.000 0.902 493 Q HN 0.151 nan 8.270 nan 0.000 0.421 494 E N 0.503 120.686 120.200 -0.028 0.000 2.118 494 E HA -0.194 4.156 4.350 0.001 0.000 0.195 494 E C 1.704 178.296 176.600 -0.014 0.000 0.992 494 E CA 0.663 57.047 56.400 -0.027 0.000 0.804 494 E CB -0.071 29.604 29.700 -0.042 0.000 0.741 494 E HN 0.194 nan 8.360 nan 0.000 0.458 495 L N -0.706 120.533 121.223 0.026 0.000 2.005 495 L HA -0.155 4.185 4.340 0.001 0.000 0.207 495 L C 1.737 178.559 176.870 -0.080 0.000 1.072 495 L CA 1.680 56.516 54.840 -0.007 0.000 0.744 495 L CB -0.532 41.562 42.059 0.059 0.000 0.895 495 L HN 0.188 nan 8.230 nan 0.000 0.433 496 Y N 0.087 120.273 120.300 -0.190 0.000 2.274 496 Y HA -0.268 4.283 4.550 0.001 0.000 0.290 496 Y C 2.747 178.530 175.900 -0.196 0.000 1.145 496 Y CA 1.696 59.664 58.100 -0.220 0.000 1.203 496 Y CB -0.796 37.595 38.460 -0.114 0.000 0.984 496 Y HN 0.530 nan 8.280 nan 0.000 0.533 497 Q N 0.936 120.745 119.800 0.014 0.000 2.049 497 Q HA -0.187 4.154 4.340 0.001 0.000 0.198 497 Q C 2.201 178.154 176.000 -0.079 0.000 0.971 497 Q CA 1.879 57.662 55.803 -0.033 0.000 0.833 497 Q CB -0.322 28.400 28.738 -0.025 0.000 0.896 497 Q HN 0.362 nan 8.270 nan 0.000 0.434 498 K N -0.023 120.322 120.400 -0.092 0.000 2.103 498 K HA -0.167 4.153 4.320 0.001 0.000 0.207 498 K C 1.500 178.010 176.600 -0.151 0.000 1.048 498 K CA 1.663 57.888 56.287 -0.105 0.000 0.930 498 K CB 0.127 32.571 32.500 -0.094 0.000 0.716 498 K HN 0.285 nan 8.250 nan 0.000 0.444 499 E N -0.862 119.188 120.200 -0.250 0.000 2.472 499 E HA 0.059 4.409 4.350 0.001 0.000 0.196 499 E C 0.586 176.982 176.600 -0.340 0.000 1.033 499 E CA 0.698 56.882 56.400 -0.361 0.000 0.886 499 E CB 0.919 30.190 29.700 -0.716 0.000 0.944 499 E HN 0.556 nan 8.360 nan 0.000 0.492 500 G N 2.075 110.724 108.800 -0.251 0.000 2.212 500 G HA2 -0.265 3.696 3.960 0.001 0.000 0.255 500 G HA3 -0.265 3.696 3.960 0.001 0.000 0.255 500 G C 0.724 175.490 174.900 -0.224 0.000 1.062 500 G CA 0.455 45.447 45.100 -0.180 0.000 0.815 500 G HN 0.278 nan 8.290 nan 0.000 0.497 501 L N -0.134 120.909 121.223 -0.299 0.000 2.416 501 L HA 0.452 4.792 4.340 0.001 0.000 0.216 501 L C 1.899 178.825 176.870 0.093 0.000 1.098 501 L CA 0.651 55.291 54.840 -0.333 0.000 0.840 501 L CB -0.404 41.135 42.059 -0.866 0.000 0.981 501 L HN 1.234 nan 8.230 nan 0.000 0.462 509 V N 1.373 121.132 119.914 -0.258 0.000 2.304 509 V HA 0.457 4.578 4.120 0.001 0.000 0.269 509 V C -0.158 175.581 176.094 -0.592 0.000 1.036 509 V CA -0.322 61.776 62.300 -0.335 0.000 0.840 509 V CB 0.464 32.229 31.823 -0.097 0.000 1.036 509 V HN 0.766 nan 8.190 nan 0.000 0.466 510 D N 4.363 124.310 120.400 -0.755 0.000 2.368 510 D HA 0.100 4.740 4.640 0.001 0.000 0.240 510 D C 0.964 177.181 176.300 -0.138 0.000 1.169 510 D CA 0.154 53.831 54.000 -0.539 0.000 0.906 510 D CB 1.086 41.696 40.800 -0.316 0.000 1.187 510 D HN 0.863 nan 8.370 nan 0.000 0.435 511 N N 1.756 120.460 118.700 0.007 0.000 2.273 511 N HA -0.057 4.684 4.740 0.001 0.000 0.231 511 N C 0.920 176.491 175.510 0.102 0.000 1.134 511 N CA -0.154 52.959 53.050 0.105 0.000 0.856 511 N CB 0.518 39.120 38.487 0.192 0.000 1.068 511 N HN 0.231 nan 8.380 nan 0.000 0.510 512 Q N 1.947 121.788 119.800 0.068 0.000 2.135 512 Q HA -0.189 4.151 4.340 0.001 0.000 0.204 512 Q C 1.173 177.234 176.000 0.102 0.000 0.981 512 Q CA 2.132 57.983 55.803 0.081 0.000 0.856 512 Q CB -0.201 28.574 28.738 0.061 0.000 0.902 512 Q HN 0.526 nan 8.270 nan 0.000 0.425 513 D N -0.699 119.770 120.400 0.114 0.000 2.123 513 D HA -0.205 4.436 4.640 0.001 0.000 0.196 513 D C 1.964 178.400 176.300 0.226 0.000 0.992 513 D CA 1.429 55.542 54.000 0.189 0.000 0.833 513 D CB -1.251 39.660 40.800 0.186 0.000 0.954 513 D HN 0.380 nan 8.370 nan 0.000 0.455 514 C N 0.290 119.688 119.300 0.162 0.000 2.446 514 C HA 0.034 4.495 4.460 0.001 0.000 0.277 514 C C 2.959 177.978 174.990 0.048 0.000 1.275 514 C CA 0.092 59.148 59.018 0.064 0.000 1.727 514 C CB -1.316 26.467 27.740 0.073 0.000 2.010 514 C HN 0.335 nan 8.230 nan 0.000 0.486 515 I N 1.052 121.688 120.570 0.110 0.000 2.118 515 I HA -0.216 3.954 4.170 0.001 0.000 0.241 515 I C 2.247 178.424 176.117 0.100 0.000 1.070 515 I CA 2.033 63.420 61.300 0.145 0.000 1.327 515 I CB -0.754 37.331 38.000 0.142 0.000 1.034 515 I HN 0.358 nan 8.210 nan 0.000 0.405 516 D N 0.781 121.230 120.400 0.082 0.000 2.123 516 D HA -0.181 4.460 4.640 0.001 0.000 0.196 516 D C 2.053 178.348 176.300 -0.008 0.000 0.992 516 D CA 1.107 55.147 54.000 0.067 0.000 0.833 516 D CB -0.421 40.443 40.800 0.106 0.000 0.954 516 D HN 0.175 nan 8.370 nan 0.000 0.455 517 L N 0.931 122.079 121.223 -0.126 0.000 2.021 517 L HA -0.201 4.139 4.340 0.001 0.000 0.215 517 L C 2.101 178.809 176.870 -0.270 0.000 1.074 517 L CA 1.586 56.163 54.840 -0.438 0.000 0.760 517 L CB -0.492 41.123 42.059 -0.740 0.000 0.889 517 L HN 0.029 nan 8.230 nan 0.000 0.433 518 I N -0.780 119.704 120.570 -0.144 0.000 2.277 518 I HA -0.184 3.987 4.170 0.001 0.000 0.243 518 I C 2.240 178.291 176.117 -0.110 0.000 1.094 518 I CA 1.569 62.809 61.300 -0.101 0.000 1.393 518 I CB -0.221 37.648 38.000 -0.219 0.000 1.078 518 I HN 0.479 nan 8.210 nan 0.000 0.417 519 E N 1.188 121.337 120.200 -0.084 0.000 2.539 519 E HA 0.299 4.649 4.350 0.001 0.000 0.215 519 E C 0.826 177.445 176.600 0.031 0.000 0.965 519 E CA -0.220 56.147 56.400 -0.054 0.000 1.019 519 E CB 0.216 29.927 29.700 0.018 0.000 1.059 519 E HN 0.200 nan 8.360 nan 0.000 0.496 520 A N 2.134 124.983 122.820 0.047 0.000 2.561 520 A HA 0.097 4.418 4.320 0.001 0.000 0.234 520 A C 0.219 177.845 177.584 0.070 0.000 1.055 520 A CA -0.229 51.848 52.037 0.068 0.000 0.756 520 A CB 0.236 19.287 19.000 0.084 0.000 0.986 520 A HN 0.148 nan 8.150 nan 0.000 0.505 521 R N 1.055 121.594 120.500 0.066 0.000 2.590 521 R HA 0.293 4.633 4.340 0.001 0.000 0.274 521 R C 1.147 177.488 176.300 0.067 0.000 1.061 521 R CA 0.531 56.669 56.100 0.064 0.000 1.081 521 R CB -0.165 30.167 30.300 0.054 0.000 0.984 521 R HN 0.953 nan 8.270 nan 0.000 0.448 522 L N 0.609 121.873 121.223 0.068 0.000 3.417 522 L HA -0.396 3.944 4.340 0.001 0.000 0.368 522 L C 1.519 178.429 176.870 0.067 0.000 0.810 522 L CA 1.697 56.575 54.840 0.063 0.000 3.108 522 L CB -1.654 40.435 42.059 0.049 0.000 0.687 522 L HN 0.550 nan 8.230 nan 0.000 0.756 523 V N -2.643 117.320 119.914 0.081 0.000 3.644 523 V HA 0.502 4.622 4.120 0.001 0.000 0.267 523 V C 1.245 177.466 176.094 0.212 0.000 1.277 523 V CA 0.665 63.022 62.300 0.095 0.000 1.096 523 V CB 0.081 31.953 31.823 0.082 0.000 0.828 523 V HN 0.371 nan 8.190 nan 0.000 0.446 524 G N -0.076 108.820 108.800 0.159 0.000 2.539 524 G HA2 0.434 4.395 3.960 0.001 0.000 0.258 524 G HA3 0.434 4.395 3.960 0.001 0.000 0.258 524 G C 0.656 175.640 174.900 0.140 0.000 1.202 524 G CA -0.323 44.854 45.100 0.128 0.000 0.851 524 G HN 0.228 nan 8.290 nan 0.000 0.556 525 I N 0.434 121.067 120.570 0.104 0.000 2.208 525 I HA -0.204 3.967 4.170 0.001 0.000 0.245 525 I C 2.610 178.885 176.117 0.263 0.000 1.097 525 I CA 0.906 62.312 61.300 0.177 0.000 1.363 525 I CB -0.186 37.903 38.000 0.147 0.000 1.051 525 I HN 0.426 nan 8.210 nan 0.000 0.413 526 L N 0.116 121.463 121.223 0.207 0.000 2.042 526 L HA -0.258 4.082 4.340 0.001 0.000 0.210 526 L C 2.131 179.100 176.870 0.166 0.000 1.076 526 L CA 1.394 56.351 54.840 0.196 0.000 0.749 526 L CB -0.711 41.420 42.059 0.121 0.000 0.893 526 L HN 0.248 nan 8.230 nan 0.000 0.432 527 D N 0.086 120.571 120.400 0.142 0.000 2.144 527 D HA -0.104 4.536 4.640 0.001 0.000 0.200 527 D C 2.274 178.660 176.300 0.142 0.000 0.978 527 D CA 1.029 55.108 54.000 0.131 0.000 0.833 527 D CB -0.015 40.849 40.800 0.106 0.000 0.961 527 D HN 0.261 nan 8.370 nan 0.000 0.470 528 I N 0.189 120.865 120.570 0.177 0.000 2.226 528 I HA -0.229 3.941 4.170 0.001 0.000 0.245 528 I C 2.237 178.521 176.117 0.279 0.000 1.100 528 I CA 0.414 61.843 61.300 0.215 0.000 1.374 528 I CB -0.119 38.007 38.000 0.210 0.000 1.057 528 I HN 0.048 nan 8.210 nan 0.000 0.413 529 L N 1.120 122.493 121.223 0.250 0.000 1.989 529 L HA -0.265 4.076 4.340 0.001 0.000 0.211 529 L C 1.938 178.742 176.870 -0.111 0.000 1.071 529 L CA 2.092 56.840 54.840 -0.153 0.000 0.749 529 L CB -0.907 40.927 42.059 -0.375 0.000 0.890 529 L HN 0.168 nan 8.230 nan 0.000 0.431 530 D N -0.238 120.183 120.400 0.035 0.000 2.149 530 D HA -0.231 4.410 4.640 0.001 0.000 0.194 530 D C 2.135 178.403 176.300 -0.053 0.000 1.001 530 D CA 1.593 55.647 54.000 0.090 0.000 0.849 530 D CB -0.120 40.837 40.800 0.262 0.000 0.939 530 D HN 0.517 nan 8.370 nan 0.000 0.449 531 E N -0.056 120.157 120.200 0.022 0.000 2.097 531 E HA -0.241 4.109 4.350 0.001 0.000 0.196 531 E C 1.936 178.515 176.600 -0.035 0.000 1.000 531 E CA 1.086 57.496 56.400 0.015 0.000 0.804 531 E CB -0.004 29.740 29.700 0.074 0.000 0.740 531 E HN 0.184 nan 8.360 nan 0.000 0.454 532 E N 1.086 121.276 120.200 -0.017 0.000 2.058 532 E HA -0.191 4.160 4.350 0.001 0.000 0.194 532 E C 1.551 178.037 176.600 -0.190 0.000 0.997 532 E CA 1.638 58.020 56.400 -0.030 0.000 0.801 532 E CB -0.218 29.500 29.700 0.030 0.000 0.746 532 E HN 0.187 nan 8.360 nan 0.000 0.450 533 N N -0.415 118.059 118.700 -0.377 0.000 2.258 533 N HA -0.135 4.605 4.740 0.001 0.000 0.187 533 N C 1.473 176.640 175.510 -0.571 0.000 1.012 533 N CA 1.212 53.873 53.050 -0.647 0.000 0.870 533 N CB -0.027 37.604 38.487 -1.427 0.000 0.977 533 N HN 0.090 nan 8.380 nan 0.000 0.434 534 R N -0.129 120.129 120.500 -0.404 0.000 2.246 534 R HA 0.175 4.515 4.340 0.001 0.000 0.199 534 R C 0.071 176.297 176.300 -0.124 0.000 0.984 534 R CA -0.045 55.926 56.100 -0.214 0.000 1.015 534 R CB 0.111 30.350 30.300 -0.102 0.000 0.930 534 R HN 0.184 nan 8.270 nan 0.000 0.475 535 L N 1.641 122.790 121.223 -0.124 0.000 2.483 535 L HA 0.037 4.377 4.340 0.001 0.000 0.275 535 L C -1.275 175.541 176.870 -0.091 0.000 1.220 535 L CA -1.309 53.472 54.840 -0.098 0.000 0.833 535 L CB 0.364 42.353 42.059 -0.117 0.000 1.102 535 L HN -0.141 nan 8.230 nan 0.000 0.490 536 P HA -0.144 nan 4.420 nan 0.000 0.216 536 P C -0.314 176.950 177.300 -0.061 0.000 1.150 536 P CA 1.350 64.415 63.100 -0.057 0.000 0.837 536 P CB 0.225 31.896 31.700 -0.048 0.000 0.786 537 Q N -0.646 119.106 119.800 -0.079 0.000 2.798 537 Q HA 0.338 4.679 4.340 0.001 0.000 0.250 537 Q C -2.583 173.364 176.000 -0.087 0.000 1.006 537 Q CA -1.774 53.986 55.803 -0.072 0.000 0.759 537 Q CB 0.843 29.542 28.738 -0.065 0.000 1.201 537 Q HN 0.207 nan 8.270 nan 0.000 0.486 538 P HA 0.088 nan 4.420 nan 0.000 0.268 538 P C -0.371 176.909 177.300 -0.034 0.000 1.205 538 P CA 0.203 63.257 63.100 -0.076 0.000 0.771 538 P CB 0.862 32.497 31.700 -0.108 0.000 0.858 539 S N 0.943 116.656 115.700 0.021 0.000 2.548 539 S HA 0.281 4.751 4.470 0.001 0.000 0.276 539 S C 0.505 175.185 174.600 0.133 0.000 1.129 539 S CA -0.699 57.538 58.200 0.062 0.000 0.931 539 S CB 1.233 64.474 63.200 0.067 0.000 1.068 539 S HN 0.217 nan 8.310 nan 0.000 0.480 540 D N 2.694 123.158 120.400 0.105 0.000 2.123 540 D HA -0.126 4.514 4.640 0.001 0.000 0.196 540 D C 1.628 178.041 176.300 0.188 0.000 0.992 540 D CA 1.779 55.875 54.000 0.159 0.000 0.833 540 D CB -0.044 40.808 40.800 0.086 0.000 0.954 540 D HN 0.686 nan 8.370 nan 0.000 0.455 541 Q N -0.560 119.310 119.800 0.118 0.000 2.079 541 Q HA -0.122 4.219 4.340 0.001 0.000 0.200 541 Q C 2.019 178.074 176.000 0.091 0.000 0.974 541 Q CA 1.153 57.005 55.803 0.081 0.000 0.840 541 Q CB -0.409 28.367 28.738 0.064 0.000 0.898 541 Q HN 0.501 nan 8.270 nan 0.000 0.430 542 H N -0.282 118.820 119.070 0.054 0.000 2.319 542 H HA -0.182 4.374 4.556 0.001 0.000 0.299 542 H C 1.677 177.043 175.328 0.064 0.000 1.092 542 H CA 1.920 57.997 56.048 0.048 0.000 1.302 542 H CB -0.321 29.467 29.762 0.044 0.000 1.373 542 H HN 0.317 nan 8.280 nan 0.000 0.497 543 F N 0.703 120.675 119.950 0.037 0.000 2.091 543 F HA -0.249 4.279 4.527 0.001 0.000 0.299 543 F C 2.236 178.003 175.800 -0.055 0.000 1.103 543 F CA 2.158 60.147 58.000 -0.017 0.000 1.228 543 F CB -0.756 38.252 39.000 0.012 0.000 0.984 543 F HN 0.150 nan 8.300 nan 0.000 0.477 544 T N -0.178 114.102 114.554 -0.457 0.000 2.746 544 T HA -0.180 4.171 4.350 0.001 0.000 0.267 544 T C 2.116 176.631 174.700 -0.308 0.000 1.039 544 T CA 1.644 63.432 62.100 -0.521 0.000 1.142 544 T CB -0.559 68.195 68.868 -0.191 0.000 0.866 544 T HN 0.310 nan 8.240 nan 0.000 0.444 545 S N 1.476 117.081 115.700 -0.159 0.000 2.368 545 S HA -0.053 4.418 4.470 0.001 0.000 0.225 545 S C 2.614 177.108 174.600 -0.175 0.000 1.030 545 S CA 0.981 59.127 58.200 -0.090 0.000 0.999 545 S CB -0.624 62.513 63.200 -0.104 0.000 0.844 545 S HN 0.605 nan 8.310 nan 0.000 0.459 546 A N 1.218 123.860 122.820 -0.298 0.000 1.908 546 A HA -0.073 4.248 4.320 0.001 0.000 0.218 546 A C 2.346 179.777 177.584 -0.255 0.000 1.181 546 A CA 1.632 53.510 52.037 -0.266 0.000 0.627 546 A CB -0.967 17.882 19.000 -0.251 0.000 0.818 546 A HN 0.345 nan 8.150 nan 0.000 0.445 547 V N -0.260 119.419 119.914 -0.393 0.000 2.287 547 V HA -0.279 3.842 4.120 0.001 0.000 0.248 547 V C 2.474 178.398 176.094 -0.284 0.000 1.053 547 V CA 2.184 64.242 62.300 -0.402 0.000 1.027 547 V CB -1.100 30.288 31.823 -0.725 0.000 0.646 547 V HN 0.652 nan 8.190 nan 0.000 0.447 548 H N -0.514 118.452 119.070 -0.173 0.000 2.387 548 H HA -0.168 4.388 4.556 0.001 0.000 0.299 548 H C 2.375 177.651 175.328 -0.087 0.000 1.090 548 H CA 2.139 58.129 56.048 -0.098 0.000 1.332 548 H CB -0.063 29.658 29.762 -0.070 0.000 1.386 548 H HN 0.441 nan 8.280 nan 0.000 0.516 549 Q N 1.164 120.963 119.800 -0.001 0.000 2.049 549 Q HA -0.107 4.234 4.340 0.001 0.000 0.198 549 Q C 2.316 178.260 176.000 -0.093 0.000 0.971 549 Q CA 1.587 57.365 55.803 -0.042 0.000 0.833 549 Q CB 0.091 28.791 28.738 -0.063 0.000 0.896 549 Q HN 0.069 nan 8.270 nan 0.000 0.434 550 K N -0.525 119.766 120.400 -0.182 0.000 2.063 550 K HA -0.139 4.182 4.320 0.001 0.000 0.208 550 K C 0.728 177.074 176.600 -0.423 0.000 1.048 550 K CA 1.665 57.741 56.287 -0.351 0.000 0.928 550 K CB -0.088 32.111 32.500 -0.502 0.000 0.713 550 K HN 0.386 nan 8.250 nan 0.000 0.442 551 H N -0.817 118.230 119.070 -0.039 0.000 2.475 551 H HA 0.150 4.707 4.556 0.001 0.000 0.276 551 H C 0.922 176.278 175.328 0.047 0.000 1.126 551 H CA -0.012 56.040 56.048 0.006 0.000 1.023 551 H CB 0.693 30.404 29.762 -0.085 0.000 1.669 551 H HN 0.148 nan 8.280 nan 0.000 0.573 552 K N 1.309 121.773 120.400 0.107 0.000 2.066 552 K HA -0.204 4.117 4.320 0.001 0.000 0.221 552 K C 0.758 177.424 176.600 0.110 0.000 1.056 552 K CA 2.163 58.507 56.287 0.096 0.000 0.950 552 K CB 0.142 32.670 32.500 0.046 0.000 0.726 552 K HN 0.160 nan 8.250 nan 0.000 0.456 553 D N -0.939 119.527 120.400 0.111 0.000 2.342 553 D HA -0.005 4.636 4.640 0.001 0.000 0.221 553 D C -0.467 175.915 176.300 0.136 0.000 1.101 553 D CA -0.002 54.059 54.000 0.102 0.000 0.837 553 D CB -0.122 40.714 40.800 0.061 0.000 0.938 553 D HN 0.382 nan 8.370 nan 0.000 0.508 554 H N -0.016 119.116 119.070 0.104 0.000 2.886 554 H HA -0.025 4.532 4.556 0.001 0.000 0.329 554 H C 1.145 176.538 175.328 0.109 0.000 1.044 554 H CA -0.054 56.058 56.048 0.108 0.000 1.456 554 H CB 0.551 30.352 29.762 0.065 0.000 1.464 554 H HN -0.056 nan 8.280 nan 0.000 0.573 555 F N 3.962 123.913 119.950 0.000 0.000 2.192 555 F HA -0.227 4.301 4.527 0.001 0.000 0.301 555 F C 1.465 177.347 175.800 0.137 0.000 1.079 555 F CA 1.130 59.159 58.000 0.049 0.000 1.303 555 F CB 0.263 39.245 39.000 -0.031 0.000 1.024 555 F HN 0.517 nan 8.300 nan 0.000 0.494 556 R N 0.107 120.721 120.500 0.190 0.000 2.276 556 R HA 0.210 4.551 4.340 0.001 0.000 0.196 556 R C -0.082 176.141 176.300 -0.130 0.000 0.961 556 R CA 0.079 56.129 56.100 -0.084 0.000 1.024 556 R CB -0.936 29.350 30.300 -0.023 0.000 0.940 556 R HN 0.280 nan 8.270 nan 0.000 0.480 557 L N 0.190 121.382 121.223 -0.052 0.000 2.317 557 L HA 0.468 4.809 4.340 0.001 0.000 0.281 557 L C -0.387 176.498 176.870 0.024 0.000 1.024 557 L CA -0.122 54.682 54.840 -0.059 0.000 0.810 557 L CB 1.947 43.947 42.059 -0.100 0.000 1.240 557 L HN -0.071 nan 8.230 nan 0.000 0.427 558 S N 3.416 119.163 115.700 0.078 0.000 2.618 558 S HA 0.635 5.106 4.470 0.001 0.000 0.277 558 S C -1.200 173.517 174.600 0.195 0.000 1.138 558 S CA -0.611 57.649 58.200 0.100 0.000 0.844 558 S CB 1.247 64.468 63.200 0.035 0.000 1.127 558 S HN 0.562 nan 8.310 nan 0.000 0.474 559 I N 3.055 123.688 120.570 0.104 0.000 2.428 559 I HA 0.456 4.627 4.170 0.001 0.000 0.296 559 I C -1.775 174.374 176.117 0.053 0.000 0.985 559 I CA -2.276 59.054 61.300 0.050 0.000 1.260 559 I CB 1.969 39.887 38.000 -0.137 0.000 1.389 559 I HN 0.487 nan 8.210 nan 0.000 0.484 560 P HA -0.198 nan 4.420 nan 0.000 0.216 560 P C 0.989 178.326 177.300 0.061 0.000 1.153 560 P CA 1.395 64.526 63.100 0.052 0.000 0.858 560 P CB -0.116 31.614 31.700 0.051 0.000 0.789 561 R N 0.314 120.835 120.500 0.034 0.000 2.341 561 R HA -0.058 4.283 4.340 0.001 0.000 0.213 561 R C 1.549 177.868 176.300 0.031 0.000 1.082 561 R CA 1.212 57.331 56.100 0.031 0.000 1.017 561 R CB -0.688 29.616 30.300 0.007 0.000 0.860 561 R HN 0.166 nan 8.270 nan 0.000 0.473 562 K N 0.961 121.379 120.400 0.031 0.000 2.365 562 K HA 0.043 4.364 4.320 0.001 0.000 0.197 562 K C 0.648 177.276 176.600 0.047 0.000 1.042 562 K CA 0.283 56.588 56.287 0.030 0.000 0.987 562 K CB 0.240 32.753 32.500 0.022 0.000 0.779 562 K HN 0.104 nan 8.250 nan 0.000 0.484 563 S N 1.173 116.918 115.700 0.075 0.000 2.563 563 S HA -0.014 4.456 4.470 0.001 0.000 0.284 563 S C 0.916 175.567 174.600 0.086 0.000 1.331 563 S CA 0.054 58.321 58.200 0.112 0.000 1.047 563 S CB 0.805 64.142 63.200 0.228 0.000 0.859 563 S HN 0.122 nan 8.310 nan 0.000 0.514 564 K N 2.213 122.659 120.400 0.077 0.000 2.365 564 K HA 0.155 4.475 4.320 0.001 0.000 0.199 564 K C 0.035 176.650 176.600 0.026 0.000 1.045 564 K CA 0.518 56.832 56.287 0.045 0.000 0.962 564 K CB -0.061 32.462 32.500 0.037 0.000 0.759 564 K HN 0.539 nan 8.250 nan 0.000 0.469 565 L N 0.153 121.391 121.223 0.025 0.000 2.276 565 L HA 0.158 4.499 4.340 0.001 0.000 0.286 565 L C 1.141 177.974 176.870 -0.061 0.000 1.061 565 L CA -0.534 54.264 54.840 -0.069 0.000 0.807 565 L CB 1.539 43.450 42.059 -0.246 0.000 1.177 565 L HN 0.059 nan 8.230 nan 0.000 0.429 566 A N 4.673 127.461 122.820 -0.053 0.000 1.883 566 A HA -0.210 4.110 4.320 0.001 0.000 0.217 566 A C 1.998 179.572 177.584 -0.017 0.000 1.186 566 A CA 1.757 53.781 52.037 -0.022 0.000 0.624 566 A CB -0.546 18.442 19.000 -0.019 0.000 0.822 566 A HN 0.843 nan 8.150 nan 0.000 0.444 567 I N -1.084 119.447 120.570 -0.064 0.000 2.361 567 I HA -0.287 3.883 4.170 0.001 0.000 0.251 567 I C 2.235 178.385 176.117 0.055 0.000 1.133 567 I CA 1.688 62.972 61.300 -0.026 0.000 1.413 567 I CB -0.296 37.673 38.000 -0.052 0.000 1.073 567 I HN 0.543 nan 8.210 nan 0.000 0.424 568 H N 0.204 119.296 119.070 0.037 0.000 2.389 568 H HA -0.083 4.473 4.556 0.001 0.000 0.299 568 H C 2.146 177.493 175.328 0.032 0.000 1.081 568 H CA 0.867 56.938 56.048 0.037 0.000 1.345 568 H CB 0.027 29.811 29.762 0.037 0.000 1.393 568 H HN 0.275 nan 8.280 nan 0.000 0.520 569 R N 0.611 121.195 120.500 0.140 0.000 2.237 569 R HA -0.095 4.245 4.340 0.001 0.000 0.219 569 R C 1.716 178.052 176.300 0.060 0.000 1.080 569 R CA 0.807 56.956 56.100 0.082 0.000 0.995 569 R CB -0.119 30.213 30.300 0.054 0.000 0.875 569 R HN 0.287 nan 8.270 nan 0.000 0.462 570 N N 1.033 119.771 118.700 0.064 0.000 2.453 570 N HA -0.049 4.691 4.740 0.001 0.000 0.183 570 N C -0.023 175.518 175.510 0.052 0.000 1.041 570 N CA 0.558 53.639 53.050 0.052 0.000 0.900 570 N CB 0.139 38.658 38.487 0.053 0.000 0.961 570 N HN 0.078 nan 8.380 nan 0.000 0.443 571 I N 1.618 122.227 120.570 0.065 0.000 2.352 571 I HA 0.138 4.309 4.170 0.001 0.000 0.290 571 I C 0.520 176.655 176.117 0.030 0.000 1.036 571 I CA -0.533 60.797 61.300 0.051 0.000 1.336 571 I CB 0.947 38.984 38.000 0.061 0.000 1.407 571 I HN -0.022 nan 8.210 nan 0.000 0.497 572 R N 3.925 124.436 120.500 0.018 0.000 2.734 572 R HA 0.001 4.341 4.340 0.001 0.000 0.266 572 R C 0.598 176.899 176.300 0.001 0.000 1.044 572 R CA -0.379 55.724 56.100 0.005 0.000 1.128 572 R CB 0.439 30.742 30.300 0.004 0.000 1.010 572 R HN 0.553 nan 8.270 nan 0.000 0.461 573 D N 1.309 121.691 120.400 -0.030 0.000 2.133 573 D HA -0.211 4.429 4.640 0.001 0.000 0.192 573 D C 1.094 177.419 176.300 0.042 0.000 1.001 573 D CA 1.796 55.748 54.000 -0.080 0.000 0.844 573 D CB -0.177 40.519 40.800 -0.173 0.000 0.944 573 D HN 0.641 nan 8.370 nan 0.000 0.447 574 D N -0.100 120.320 120.400 0.034 0.000 2.338 574 D HA -0.071 4.570 4.640 0.001 0.000 0.239 574 D C 0.796 177.103 176.300 0.012 0.000 1.095 574 D CA 0.359 54.388 54.000 0.048 0.000 0.888 574 D CB -0.303 40.512 40.800 0.026 0.000 0.899 574 D HN 0.299 nan 8.370 nan 0.000 0.525 575 E N -0.810 119.391 120.200 0.001 0.000 2.539 575 E HA 0.359 4.709 4.350 0.001 0.000 0.215 575 E C 0.576 177.114 176.600 -0.103 0.000 0.965 575 E CA -0.088 56.289 56.400 -0.038 0.000 1.019 575 E CB 1.232 30.925 29.700 -0.011 0.000 1.059 575 E HN 0.315 nan 8.360 nan 0.000 0.496 576 G N 0.841 109.586 108.800 -0.091 0.000 2.495 576 G HA2 0.476 4.437 3.960 0.001 0.000 0.294 576 G HA3 0.476 4.437 3.960 0.001 0.000 0.294 576 G C -1.739 173.129 174.900 -0.053 0.000 1.397 576 G CA -0.835 44.128 45.100 -0.228 0.000 0.790 576 G HN 0.064 nan 8.290 nan 0.000 0.486 577 F N -1.685 118.295 119.950 0.050 0.000 2.668 577 F HA 0.817 5.345 4.527 0.001 0.000 0.309 577 F C -1.066 174.817 175.800 0.138 0.000 1.117 577 F CA -1.920 56.138 58.000 0.096 0.000 0.951 577 F CB 1.089 40.007 39.000 -0.137 0.000 1.323 577 F HN 0.458 nan 8.300 nan 0.000 0.451 578 I N 2.906 123.721 120.570 0.408 0.000 2.377 578 I HA 0.485 4.655 4.170 0.001 0.000 0.293 578 I C -0.667 175.604 176.117 0.257 0.000 0.987 578 I CA -0.690 60.764 61.300 0.258 0.000 1.185 578 I CB 1.765 39.815 38.000 0.083 0.000 1.341 578 I HN 0.493 nan 8.210 nan 0.000 0.455 579 I N 5.893 126.623 120.570 0.266 0.000 2.406 579 I HA 0.347 4.517 4.170 0.001 0.000 0.290 579 I C 0.243 176.297 176.117 -0.105 0.000 0.999 579 I CA -0.783 60.538 61.300 0.035 0.000 1.124 579 I CB 1.522 39.532 38.000 0.016 0.000 1.289 579 I HN 0.458 nan 8.210 nan 0.000 0.441 580 R N 5.315 125.709 120.500 -0.177 0.000 3.710 580 R HA 0.199 4.540 4.340 0.001 0.000 0.201 580 R C -0.250 175.972 176.300 -0.131 0.000 1.641 580 R CA -0.315 55.686 56.100 -0.165 0.000 1.390 580 R CB -0.605 29.540 30.300 -0.257 0.000 1.341 580 R HN 0.559 nan 8.270 nan 0.000 0.728 581 H N 0.047 119.111 119.070 -0.010 0.000 2.822 581 H HA -0.097 4.460 4.556 0.001 0.000 0.373 581 H C 1.167 176.496 175.328 0.002 0.000 1.223 581 H CA -0.007 56.052 56.048 0.019 0.000 1.436 581 H CB 0.535 30.294 29.762 -0.006 0.000 1.439 581 H HN 0.366 nan 8.280 nan 0.000 0.618 582 F N 1.356 121.373 119.950 0.112 0.000 2.087 582 F HA -0.300 4.227 4.527 0.001 0.000 0.299 582 F C 2.191 177.974 175.800 -0.027 0.000 1.100 582 F CA 1.867 59.895 58.000 0.046 0.000 1.226 582 F CB -0.387 38.650 39.000 0.061 0.000 0.983 582 F HN 0.557 nan 8.300 nan 0.000 0.479 583 A N -0.232 122.570 122.820 -0.030 0.000 2.167 583 A HA 0.466 4.786 4.320 0.001 0.000 0.214 583 A C 1.095 178.459 177.584 -0.366 0.000 1.151 583 A CA 0.914 52.800 52.037 -0.252 0.000 0.735 583 A CB -1.146 17.581 19.000 -0.455 0.000 0.802 583 A HN 0.940 nan 8.150 nan 0.000 0.467 584 G N -2.631 106.001 108.800 -0.280 0.000 2.334 584 G HA2 0.509 4.469 3.960 0.001 0.000 0.566 584 G HA3 0.509 4.469 3.960 0.001 0.000 0.566 584 G C -0.257 174.571 174.900 -0.120 0.000 1.413 584 G CA -0.426 44.560 45.100 -0.190 0.000 0.993 584 G HN 1.378 nan 8.290 nan 0.000 0.642 585 A N -0.626 122.159 122.820 -0.058 0.000 2.540 585 A HA 0.539 4.859 4.320 0.001 0.000 0.239 585 A C 0.486 178.078 177.584 0.012 0.000 1.061 585 A CA 0.647 52.673 52.037 -0.019 0.000 0.758 585 A CB 0.390 19.381 19.000 -0.016 0.000 0.991 585 A HN 1.851 nan 8.150 nan 0.000 0.502 586 V N 2.864 122.797 119.914 0.032 0.000 2.531 586 V HA 0.309 4.429 4.120 0.001 0.000 0.301 586 V C -0.124 175.839 176.094 -0.218 0.000 1.034 586 V CA -0.696 61.561 62.300 -0.072 0.000 0.865 586 V CB 1.489 33.270 31.823 -0.070 0.000 0.995 586 V HN 1.060 nan 8.190 nan 0.000 0.424 587 C N 6.850 125.953 119.300 -0.329 0.000 2.246 587 C HA 0.617 5.078 4.460 0.001 0.000 0.329 587 C C -0.340 174.469 174.990 -0.301 0.000 1.221 587 C CA -0.594 58.214 59.018 -0.350 0.000 1.697 587 C CB -1.109 26.160 27.740 -0.785 0.000 2.312 587 C HN 0.761 nan 8.230 nan 0.000 0.509 588 Y N 3.872 124.140 120.300 -0.052 0.000 2.320 588 Y HA 0.387 4.937 4.550 0.001 0.000 0.334 588 Y C 0.768 176.512 175.900 -0.260 0.000 1.055 588 Y CA -0.082 57.958 58.100 -0.100 0.000 1.143 588 Y CB 0.772 39.122 38.460 -0.184 0.000 1.193 588 Y HN 0.606 nan 8.280 nan 0.000 0.477 589 E N 1.094 121.315 120.200 0.036 0.000 2.200 589 E HA 0.127 4.478 4.350 0.001 0.000 0.283 589 E C 0.268 176.792 176.600 -0.127 0.000 1.015 589 E CA -0.193 56.184 56.400 -0.039 0.000 0.819 589 E CB 0.943 30.685 29.700 0.070 0.000 1.081 589 E HN 0.736 nan 8.360 nan 0.000 0.397 590 T N -0.971 113.374 114.554 -0.349 0.000 3.069 590 T HA -0.010 4.341 4.350 0.001 0.000 0.252 590 T C 1.010 175.641 174.700 -0.115 0.000 1.053 590 T CA -0.418 61.297 62.100 -0.642 0.000 0.964 590 T CB 0.291 68.653 68.868 -0.843 0.000 1.005 590 T HN 0.320 nan 8.240 nan 0.000 0.532 591 T N 2.285 116.836 114.554 -0.006 0.000 2.905 591 T HA 0.045 4.396 4.350 0.001 0.000 0.299 591 T C 0.641 175.423 174.700 0.137 0.000 1.024 591 T CA 0.792 62.924 62.100 0.055 0.000 1.151 591 T CB -0.199 68.686 68.868 0.029 0.000 0.987 591 T HN 0.644 nan 8.240 nan 0.000 0.535 592 Q N 1.736 121.596 119.800 0.100 0.000 2.342 592 Q HA -0.200 4.141 4.340 0.001 0.000 0.196 592 Q C 0.673 176.711 176.000 0.063 0.000 0.629 592 Q CA 1.034 56.881 55.803 0.073 0.000 1.365 592 Q CB -1.722 27.054 28.738 0.063 0.000 1.406 592 Q HN 0.757 nan 8.270 nan 0.000 0.840 593 F N 0.138 119.987 119.950 -0.169 0.000 2.095 593 F HA -0.222 4.306 4.527 0.001 0.000 0.298 593 F C 2.386 177.836 175.800 -0.583 0.000 1.104 593 F CA 1.867 59.635 58.000 -0.387 0.000 1.232 593 F CB -0.491 38.291 39.000 -0.363 0.000 0.987 593 F HN 0.026 nan 8.300 nan 0.000 0.475 594 V N -0.019 119.751 119.914 -0.241 0.000 2.287 594 V HA -0.305 3.815 4.120 0.001 0.000 0.248 594 V C 2.399 178.356 176.094 -0.228 0.000 1.053 594 V CA 2.279 64.407 62.300 -0.286 0.000 1.027 594 V CB -0.664 31.051 31.823 -0.179 0.000 0.646 594 V HN 0.405 nan 8.190 nan 0.000 0.447 595 E N 0.307 120.418 120.200 -0.148 0.000 2.107 595 E HA -0.229 4.122 4.350 0.001 0.000 0.191 595 E C 2.198 178.739 176.600 -0.099 0.000 0.982 595 E CA 1.185 57.533 56.400 -0.087 0.000 0.809 595 E CB -0.060 29.615 29.700 -0.042 0.000 0.756 595 E HN 0.574 nan 8.360 nan 0.000 0.459 596 K N 0.377 120.671 120.400 -0.177 0.000 2.211 596 K HA -0.104 4.217 4.320 0.001 0.000 0.203 596 K C 1.830 178.273 176.600 -0.262 0.000 1.050 596 K CA 1.088 57.274 56.287 -0.168 0.000 0.945 596 K CB -0.118 32.297 32.500 -0.141 0.000 0.732 596 K HN 0.034 nan 8.250 nan 0.000 0.451 597 N N 1.185 119.560 118.700 -0.541 0.000 2.515 597 N HA -0.095 4.645 4.740 0.001 0.000 0.185 597 N C -0.439 175.092 175.510 0.037 0.000 1.109 597 N CA 0.357 53.171 53.050 -0.393 0.000 0.903 597 N CB 0.062 38.226 38.487 -0.538 0.000 0.969 597 N HN -0.009 nan 8.380 nan 0.000 0.450 598 N N 0.200 118.938 118.700 0.063 0.000 2.469 598 N HA 0.135 4.876 4.740 0.001 0.000 0.253 598 N C -0.863 174.708 175.510 0.102 0.000 0.970 598 N CA -0.287 52.873 53.050 0.183 0.000 0.940 598 N CB 1.100 39.738 38.487 0.252 0.000 1.128 598 N HN -0.091 nan 8.380 nan 0.000 0.503 599 D N 1.291 121.731 120.400 0.068 0.000 2.349 599 D HA 0.226 4.867 4.640 0.001 0.000 0.214 599 D C 0.161 176.510 176.300 0.081 0.000 1.063 599 D CA 0.048 54.090 54.000 0.069 0.000 0.847 599 D CB 0.266 41.095 40.800 0.049 0.000 0.933 599 D HN 0.631 nan 8.370 nan 0.000 0.513 600 A N 0.383 123.253 122.820 0.082 0.000 2.386 600 A HA 0.404 4.725 4.320 0.001 0.000 0.248 600 A C -0.241 177.414 177.584 0.118 0.000 1.082 600 A CA -0.213 51.879 52.037 0.092 0.000 0.789 600 A CB 0.387 19.443 19.000 0.094 0.000 1.025 600 A HN 0.222 nan 8.150 nan 0.000 0.490 601 L N 1.484 122.782 121.223 0.124 0.000 2.329 601 L HA 0.328 4.669 4.340 0.001 0.000 0.279 601 L C 0.398 177.351 176.870 0.137 0.000 1.014 601 L CA -0.436 54.491 54.840 0.145 0.000 0.814 601 L CB 1.237 43.394 42.059 0.163 0.000 1.257 601 L HN 0.829 nan 8.230 nan 0.000 0.424 602 H N 3.540 122.650 119.070 0.067 0.000 3.064 602 H HA -0.068 4.489 4.556 0.001 0.000 0.329 602 H C 0.932 176.286 175.328 0.044 0.000 1.020 602 H CA 0.464 56.542 56.048 0.050 0.000 1.402 602 H CB 1.127 30.912 29.762 0.037 0.000 1.379 602 H HN 0.883 nan 8.280 nan 0.000 0.594 603 M N 3.938 123.370 119.600 -0.280 0.000 2.279 603 M HA -0.187 4.294 4.480 0.001 0.000 0.264 603 M C 2.380 178.702 176.300 0.037 0.000 1.062 603 M CA 1.844 57.081 55.300 -0.106 0.000 1.099 603 M CB -0.606 31.895 32.600 -0.165 0.000 1.394 603 M HN 0.658 nan 8.290 nan 0.000 0.426 604 S N -0.710 115.126 115.700 0.228 0.000 2.399 604 S HA -0.130 4.341 4.470 0.001 0.000 0.231 604 S C 1.899 176.570 174.600 0.119 0.000 1.022 604 S CA 1.368 59.690 58.200 0.202 0.000 0.983 604 S CB -0.916 62.435 63.200 0.252 0.000 0.803 604 S HN 0.599 nan 8.310 nan 0.000 0.480 605 L N 0.909 122.218 121.223 0.143 0.000 2.127 605 L HA 0.156 4.496 4.340 0.001 0.000 0.203 605 L C 2.979 179.854 176.870 0.008 0.000 1.080 605 L CA 1.366 56.251 54.840 0.074 0.000 0.768 605 L CB -0.426 41.696 42.059 0.105 0.000 0.924 605 L HN 0.371 nan 8.230 nan 0.000 0.444 606 E N -0.063 120.150 120.200 0.022 0.000 2.106 606 E HA -0.178 4.173 4.350 0.001 0.000 0.192 606 E C 2.173 178.707 176.600 -0.110 0.000 0.984 606 E CA 1.344 57.722 56.400 -0.037 0.000 0.806 606 E CB 0.184 29.918 29.700 0.057 0.000 0.750 606 E HN 0.341 nan 8.360 nan 0.000 0.458 607 S N 0.922 116.592 115.700 -0.051 0.000 2.356 607 S HA -0.175 4.295 4.470 0.001 0.000 0.223 607 S C 1.866 176.416 174.600 -0.083 0.000 1.032 607 S CA 1.027 59.194 58.200 -0.056 0.000 1.005 607 S CB -0.395 62.793 63.200 -0.020 0.000 0.867 607 S HN 0.295 nan 8.310 nan 0.000 0.449 608 L N 1.597 122.779 121.223 -0.069 0.000 1.978 608 L HA -0.115 4.225 4.340 0.001 0.000 0.218 608 L C 2.067 178.856 176.870 -0.135 0.000 1.075 608 L CA 1.792 56.589 54.840 -0.072 0.000 0.767 608 L CB -0.576 41.460 42.059 -0.038 0.000 0.890 608 L HN 0.289 nan 8.230 nan 0.000 0.434 609 I N -1.343 119.083 120.570 -0.240 0.000 2.546 609 I HA -0.234 3.936 4.170 0.001 0.000 0.255 609 I C 2.213 178.057 176.117 -0.455 0.000 1.163 609 I CA 1.054 62.121 61.300 -0.389 0.000 1.457 609 I CB -0.197 37.435 38.000 -0.613 0.000 1.092 609 I HN 0.421 nan 8.210 nan 0.000 0.434 610 C N 0.693 119.756 119.300 -0.395 0.000 2.432 610 C HA -0.049 4.411 4.460 0.001 0.000 0.280 610 C C 1.383 176.297 174.990 -0.128 0.000 1.353 610 C CA 0.409 59.279 59.018 -0.246 0.000 1.766 610 C CB -1.359 26.294 27.740 -0.145 0.000 1.924 610 C HN 0.446 nan 8.230 nan 0.000 0.509 611 E N 0.734 120.869 120.200 -0.109 0.000 2.464 611 E HA 0.146 4.496 4.350 0.001 0.000 0.260 611 E C -0.013 176.553 176.600 -0.056 0.000 1.318 611 E CA -0.102 56.260 56.400 -0.062 0.000 1.571 611 E CB 0.367 30.041 29.700 -0.043 0.000 1.525 611 E HN 0.265 nan 8.360 nan 0.000 0.449 612 S N 1.160 116.822 115.700 -0.063 0.000 2.562 612 S HA 0.092 4.563 4.470 0.001 0.000 0.275 612 S C 1.361 175.955 174.600 -0.009 0.000 1.281 612 S CA -0.698 57.481 58.200 -0.035 0.000 1.045 612 S CB 0.704 63.882 63.200 -0.037 0.000 0.962 612 S HN 0.586 nan 8.310 nan 0.000 0.503 613 R N 2.496 122.999 120.500 0.005 0.000 2.241 613 R HA 0.003 4.344 4.340 0.001 0.000 0.224 613 R C -0.287 176.028 176.300 0.025 0.000 1.101 613 R CA 1.006 57.114 56.100 0.014 0.000 0.995 613 R CB -0.449 29.861 30.300 0.017 0.000 0.870 613 R HN 0.521 nan 8.270 nan 0.000 0.463 614 D N 1.064 121.485 120.400 0.035 0.000 2.264 614 D HA 0.072 4.713 4.640 0.001 0.000 0.250 614 D C 0.511 176.848 176.300 0.062 0.000 1.113 614 D CA -0.261 53.775 54.000 0.060 0.000 0.871 614 D CB 1.671 42.525 40.800 0.089 0.000 1.167 614 D HN 0.028 nan 8.370 nan 0.000 0.447 615 K N 3.160 123.604 120.400 0.072 0.000 2.026 615 K HA -0.173 4.148 4.320 0.001 0.000 0.208 615 K C 1.702 178.352 176.600 0.083 0.000 1.048 615 K CA 0.956 57.282 56.287 0.065 0.000 0.929 615 K CB -0.111 32.427 32.500 0.065 0.000 0.713 615 K HN 0.536 nan 8.250 nan 0.000 0.439 616 F N 1.395 121.326 119.950 -0.032 0.000 2.134 616 F HA -0.181 4.347 4.527 0.001 0.000 0.299 616 F C 1.783 177.558 175.800 -0.042 0.000 1.097 616 F CA 1.324 59.285 58.000 -0.066 0.000 1.264 616 F CB -0.113 38.831 39.000 -0.094 0.000 1.001 616 F HN -0.023 nan 8.300 nan 0.000 0.479 617 I N 0.312 120.933 120.570 0.085 0.000 2.315 617 I HA -0.229 3.941 4.170 0.001 0.000 0.248 617 I C 2.416 178.541 176.117 0.013 0.000 1.117 617 I CA 1.204 62.528 61.300 0.040 0.000 1.404 617 I CB -0.536 37.516 38.000 0.086 0.000 1.071 617 I HN 0.012 nan 8.210 nan 0.000 0.419 618 R N 0.253 120.748 120.500 -0.008 0.000 2.092 618 R HA -0.136 4.204 4.340 0.001 0.000 0.231 618 R C 1.985 178.300 176.300 0.025 0.000 1.119 618 R CA 1.254 57.353 56.100 -0.002 0.000 0.970 618 R CB -0.331 29.964 30.300 -0.008 0.000 0.864 618 R HN 0.484 nan 8.270 nan 0.000 0.440 619 E N 0.623 120.787 120.200 -0.061 0.000 2.285 619 E HA -0.071 4.279 4.350 0.001 0.000 0.194 619 E C 1.963 178.488 176.600 -0.126 0.000 0.997 619 E CA 0.410 56.752 56.400 -0.097 0.000 0.845 619 E CB 0.055 29.670 29.700 -0.142 0.000 0.782 619 E HN 0.302 nan 8.360 nan 0.000 0.491 620 L N -0.263 120.856 121.223 -0.173 0.000 2.127 620 L HA -0.154 4.186 4.340 0.001 0.000 0.211 620 L C 1.520 178.362 176.870 -0.047 0.000 1.089 620 L CA 1.081 55.836 54.840 -0.141 0.000 0.757 620 L CB -0.145 41.851 42.059 -0.106 0.000 0.899 620 L HN 0.130 nan 8.230 nan 0.000 0.434 621 F N -0.994 118.922 119.950 -0.057 0.000 2.695 621 F HA 0.172 4.699 4.527 0.001 0.000 0.303 621 F C 1.447 177.245 175.800 -0.003 0.000 1.091 621 F CA -0.401 57.587 58.000 -0.021 0.000 1.300 621 F CB 0.045 38.986 39.000 -0.098 0.000 1.071 621 F HN 0.047 nan 8.300 nan 0.000 0.578 640 F N 3.101 123.053 119.950 0.004 0.000 2.605 640 F HA 0.738 5.265 4.527 0.001 0.000 0.320 640 F C -2.135 173.675 175.800 0.016 0.000 1.159 640 F CA -1.121 56.883 58.000 0.006 0.000 0.999 640 F CB 1.039 40.037 39.000 -0.003 0.000 1.258 640 F HN 0.564 nan 8.300 nan 0.000 0.464 641 I N 4.824 125.094 120.570 -0.501 0.000 2.439 641 I HA 0.243 4.413 4.170 0.001 0.000 0.285 641 I C -0.187 175.517 176.117 -0.689 0.000 1.021 641 I CA -0.858 60.093 61.300 -0.582 0.000 1.091 641 I CB 1.933 39.814 38.000 -0.198 0.000 1.242 641 I HN 0.626 nan 8.210 nan 0.000 0.439 642 S N 4.648 119.838 115.700 -0.851 0.000 2.481 642 S HA 0.141 4.612 4.470 0.001 0.000 0.282 642 S C 1.151 175.724 174.600 -0.044 0.000 1.243 642 S CA -0.487 57.506 58.200 -0.344 0.000 1.078 642 S CB 0.769 63.876 63.200 -0.155 0.000 0.916 642 S HN 0.435 nan 8.310 nan 0.000 0.495 643 V N 6.082 126.051 119.914 0.091 0.000 2.358 643 V HA -0.024 4.097 4.120 0.001 0.000 0.246 643 V C 2.560 178.831 176.094 0.295 0.000 1.047 643 V CA 2.239 64.656 62.300 0.195 0.000 1.035 643 V CB -1.309 30.681 31.823 0.279 0.000 0.658 643 V HN 0.949 nan 8.190 nan 0.000 0.452 644 G N -0.231 108.803 108.800 0.390 0.000 2.402 644 G HA2 -0.221 3.740 3.960 0.001 0.000 0.216 644 G HA3 -0.221 3.740 3.960 0.001 0.000 0.216 644 G C 1.458 176.536 174.900 0.296 0.000 1.162 644 G CA 0.675 46.027 45.100 0.420 0.000 0.777 644 G HN 0.474 nan 8.290 nan 0.000 0.539 645 N N 0.226 119.048 118.700 0.203 0.000 2.354 645 N HA -0.025 4.716 4.740 0.001 0.000 0.179 645 N C 2.013 177.591 175.510 0.114 0.000 1.021 645 N CA 0.617 53.748 53.050 0.135 0.000 0.887 645 N CB -0.099 38.446 38.487 0.096 0.000 0.974 645 N HN 0.395 nan 8.380 nan 0.000 0.437 646 K N 0.317 120.786 120.400 0.116 0.000 2.026 646 K HA -0.136 4.184 4.320 0.001 0.000 0.208 646 K C 1.988 178.700 176.600 0.187 0.000 1.048 646 K CA 0.955 57.307 56.287 0.109 0.000 0.929 646 K CB -0.283 32.267 32.500 0.083 0.000 0.713 646 K HN 0.102 nan 8.250 nan 0.000 0.439 647 F N 1.889 121.902 119.950 0.104 0.000 2.186 647 F HA -0.162 4.366 4.527 0.001 0.000 0.299 647 F C 2.403 178.284 175.800 0.135 0.000 1.090 647 F CA 1.418 59.492 58.000 0.124 0.000 1.307 647 F CB -0.025 39.052 39.000 0.129 0.000 1.019 647 F HN -0.023 nan 8.300 nan 0.000 0.489 648 K N -0.097 120.332 120.400 0.049 0.000 2.074 648 K HA -0.196 4.125 4.320 0.001 0.000 0.209 648 K C 1.813 178.361 176.600 -0.087 0.000 1.048 648 K CA 2.110 58.398 56.287 0.001 0.000 0.926 648 K CB -0.444 32.133 32.500 0.129 0.000 0.713 648 K HN 0.270 nan 8.250 nan 0.000 0.444 649 T N 1.376 115.915 114.554 -0.025 0.000 2.708 649 T HA -0.159 4.191 4.350 0.001 0.000 0.266 649 T C 1.901 176.571 174.700 -0.049 0.000 1.037 649 T CA 1.524 63.611 62.100 -0.021 0.000 1.146 649 T CB -0.208 68.668 68.868 0.012 0.000 0.865 649 T HN 0.398 nan 8.240 nan 0.000 0.435 650 Q N 0.326 120.106 119.800 -0.033 0.000 2.061 650 Q HA -0.026 4.314 4.340 0.001 0.000 0.204 650 Q C 2.418 178.327 176.000 -0.152 0.000 0.984 650 Q CA 1.149 56.971 55.803 0.031 0.000 0.846 650 Q CB -0.373 28.514 28.738 0.249 0.000 0.902 650 Q HN 0.414 nan 8.270 nan 0.000 0.421 651 L N 0.801 121.729 121.223 -0.491 0.000 2.046 651 L HA -0.211 4.130 4.340 0.001 0.000 0.208 651 L C 1.899 178.544 176.870 -0.374 0.000 1.077 651 L CA 1.054 55.506 54.840 -0.647 0.000 0.747 651 L CB -0.280 41.184 42.059 -0.991 0.000 0.896 651 L HN 0.328 nan 8.230 nan 0.000 0.432 652 N N 0.084 118.635 118.700 -0.248 0.000 2.104 652 N HA -0.191 4.549 4.740 0.001 0.000 0.190 652 N C 1.877 177.319 175.510 -0.114 0.000 1.024 652 N CA 1.237 54.200 53.050 -0.145 0.000 0.853 652 N CB -0.344 38.097 38.487 -0.075 0.000 1.008 652 N HN 0.324 nan 8.380 nan 0.000 0.424 653 L N 0.193 121.364 121.223 -0.087 0.000 2.083 653 L HA -0.148 4.192 4.340 0.001 0.000 0.209 653 L C 2.256 179.082 176.870 -0.072 0.000 1.083 653 L CA 0.580 55.393 54.840 -0.045 0.000 0.752 653 L CB -0.378 41.684 42.059 0.004 0.000 0.899 653 L HN 0.153 nan 8.230 nan 0.000 0.433 654 L N -0.249 120.892 121.223 -0.136 0.000 2.056 654 L HA -0.180 4.161 4.340 0.001 0.000 0.207 654 L C 2.276 178.956 176.870 -0.317 0.000 1.078 654 L CA 1.676 56.370 54.840 -0.243 0.000 0.749 654 L CB -0.353 41.489 42.059 -0.363 0.000 0.901 654 L HN 0.084 nan 8.230 nan 0.000 0.433 655 L N -0.588 120.460 121.223 -0.291 0.000 2.093 655 L HA -0.193 4.147 4.340 0.001 0.000 0.208 655 L C 2.263 179.026 176.870 -0.179 0.000 1.085 655 L CA 1.170 55.837 54.840 -0.289 0.000 0.755 655 L CB -0.807 41.116 42.059 -0.227 0.000 0.904 655 L HN 0.284 nan 8.230 nan 0.000 0.435 656 D N 0.303 120.642 120.400 -0.100 0.000 2.106 656 D HA -0.215 4.426 4.640 0.001 0.000 0.191 656 D C 2.150 178.452 176.300 0.004 0.000 0.997 656 D CA 1.364 55.346 54.000 -0.029 0.000 0.834 656 D CB -0.104 40.691 40.800 -0.008 0.000 0.956 656 D HN 0.274 nan 8.370 nan 0.000 0.448 657 K N 0.262 120.665 120.400 0.005 0.000 1.991 657 K HA -0.087 4.234 4.320 0.001 0.000 0.212 657 K C 2.435 179.095 176.600 0.101 0.000 1.049 657 K CA 0.673 57.034 56.287 0.122 0.000 0.932 657 K CB -0.399 32.185 32.500 0.141 0.000 0.717 657 K HN 0.120 nan 8.250 nan 0.000 0.441 658 L N 0.758 121.900 121.223 -0.134 0.000 2.021 658 L HA -0.255 4.085 4.340 0.001 0.000 0.215 658 L C 2.477 179.286 176.870 -0.102 0.000 1.074 658 L CA 1.519 56.182 54.840 -0.294 0.000 0.760 658 L CB -0.469 41.061 42.059 -0.881 0.000 0.889 658 L HN 0.229 nan 8.230 nan 0.000 0.433 659 R N -0.289 120.181 120.500 -0.050 0.000 2.241 659 R HA -0.108 4.233 4.340 0.001 0.000 0.224 659 R C 2.220 178.609 176.300 0.148 0.000 1.101 659 R CA 1.347 57.552 56.100 0.175 0.000 0.995 659 R CB -0.257 30.115 30.300 0.121 0.000 0.870 659 R HN 0.442 nan 8.270 nan 0.000 0.463 660 S N -0.562 115.206 115.700 0.112 0.000 2.575 660 S HA -0.003 4.468 4.470 0.001 0.000 0.215 660 S C 0.746 175.381 174.600 0.058 0.000 0.966 660 S CA -0.024 58.233 58.200 0.094 0.000 0.911 660 S CB 0.027 63.296 63.200 0.116 0.000 0.780 660 S HN 0.241 nan 8.310 nan 0.000 0.514 661 T N -1.695 112.907 114.554 0.079 0.000 2.950 661 T HA 0.748 5.099 4.350 0.001 0.000 0.288 661 T C 0.329 175.049 174.700 0.033 0.000 1.035 661 T CA -0.452 61.651 62.100 0.005 0.000 1.028 661 T CB 1.249 70.132 68.868 0.025 0.000 1.109 661 T HN 0.232 nan 8.240 nan 0.000 0.514 662 G N -0.253 108.521 108.800 -0.043 0.000 2.395 662 G HA2 0.593 4.553 3.960 0.001 0.000 0.283 662 G HA3 0.593 4.553 3.960 0.001 0.000 0.283 662 G C -0.481 174.405 174.900 -0.025 0.000 1.178 662 G CA -0.636 44.441 45.100 -0.039 0.000 0.837 662 G HN 1.105 nan 8.290 nan 0.000 0.518 663 A N 1.540 124.336 122.820 -0.039 0.000 2.355 663 A HA 0.847 5.167 4.320 0.001 0.000 0.317 663 A C 0.019 177.413 177.584 -0.317 0.000 1.094 663 A CA -0.537 51.407 52.037 -0.155 0.000 0.764 663 A CB 1.684 20.619 19.000 -0.107 0.000 1.230 663 A HN 0.765 nan 8.150 nan 0.000 0.448 664 S N 0.182 115.631 115.700 -0.419 0.000 2.568 664 S HA 0.846 5.316 4.470 0.001 0.000 0.293 664 S C -1.301 173.020 174.600 -0.463 0.000 1.089 664 S CA -0.254 57.775 58.200 -0.285 0.000 0.945 664 S CB 0.963 64.130 63.200 -0.054 0.000 1.077 664 S HN 0.476 nan 8.310 nan 0.000 0.485 665 F N 1.233 121.300 119.950 0.195 0.000 2.539 665 F HA 0.568 5.095 4.527 0.001 0.000 0.318 665 F C -0.383 175.535 175.800 0.197 0.000 1.135 665 F CA -0.683 57.459 58.000 0.236 0.000 0.915 665 F CB 1.057 40.284 39.000 0.379 0.000 1.176 665 F HN 0.292 nan 8.300 nan 0.000 0.440 666 I N 4.573 125.326 120.570 0.305 0.000 2.355 666 I HA 0.437 4.608 4.170 0.001 0.000 0.288 666 I C -0.570 175.658 176.117 0.186 0.000 0.999 666 I CA -0.979 60.457 61.300 0.228 0.000 1.163 666 I CB 1.071 39.177 38.000 0.178 0.000 1.316 666 I HN 0.373 nan 8.210 nan 0.000 0.454 667 R N 5.075 125.670 120.500 0.158 0.000 2.204 667 R HA 0.371 4.711 4.340 0.001 0.000 0.341 667 R C -0.953 175.388 176.300 0.068 0.000 1.035 667 R CA -0.680 55.470 56.100 0.083 0.000 0.887 667 R CB 0.552 30.883 30.300 0.052 0.000 1.114 667 R HN 0.541 nan 8.270 nan 0.000 0.473 668 C N 3.991 123.319 119.300 0.046 0.000 2.463 668 C HA 0.547 5.008 4.460 0.001 0.000 0.380 668 C C 0.556 175.533 174.990 -0.023 0.000 1.264 668 C CA -0.588 58.440 59.018 0.018 0.000 2.161 668 C CB 0.188 27.936 27.740 0.013 0.000 2.515 668 C HN 0.571 nan 8.230 nan 0.000 0.565 669 I N 2.909 123.445 120.570 -0.058 0.000 2.478 669 I HA 0.319 4.490 4.170 0.001 0.000 0.287 669 I C -0.002 176.031 176.117 -0.140 0.000 1.042 669 I CA -0.356 60.884 61.300 -0.100 0.000 1.067 669 I CB 1.327 39.254 38.000 -0.121 0.000 1.233 669 I HN 0.660 nan 8.210 nan 0.000 0.431 670 K N 8.296 128.624 120.400 -0.121 0.000 2.316 670 K HA 0.294 4.615 4.320 0.001 0.000 0.289 670 K C -1.522 175.003 176.600 -0.125 0.000 1.070 670 K CA -1.392 54.843 56.287 -0.087 0.000 0.928 670 K CB 1.499 33.984 32.500 -0.024 0.000 1.039 670 K HN 0.280 nan 8.250 nan 0.000 0.480 671 P HA -0.097 nan 4.420 nan 0.000 0.225 671 P C -0.851 176.379 177.300 -0.117 0.000 1.156 671 P CA 0.917 63.862 63.100 -0.258 0.000 0.787 671 P CB 0.093 31.628 31.700 -0.275 0.000 0.802 672 N N -2.212 116.513 118.700 0.040 0.000 3.116 672 N HA 0.199 4.940 4.740 0.001 0.000 0.244 672 N C -0.327 175.199 175.510 0.028 0.000 1.485 672 N CA -0.872 52.207 53.050 0.049 0.000 0.884 672 N CB 0.047 38.626 38.487 0.154 0.000 1.415 672 N HN -0.308 nan 8.380 nan 0.000 0.524 673 L N -0.788 120.424 121.223 -0.018 0.000 2.653 673 L HA 0.386 4.726 4.340 0.001 0.000 0.231 673 L C 0.815 177.631 176.870 -0.090 0.000 1.153 673 L CA 0.146 54.958 54.840 -0.047 0.000 0.933 673 L CB -0.196 41.829 42.059 -0.056 0.000 1.175 673 L HN 0.564 nan 8.230 nan 0.000 0.473 674 K N 0.156 120.474 120.400 -0.136 0.000 2.402 674 K HA 0.325 4.645 4.320 0.001 0.000 0.204 674 K C 0.403 176.807 176.600 -0.327 0.000 1.056 674 K CA -0.193 55.978 56.287 -0.194 0.000 1.069 674 K CB 0.648 33.032 32.500 -0.193 0.000 0.888 674 K HN 0.097 nan 8.250 nan 0.000 0.546 675 M N 1.621 120.868 119.600 -0.588 0.000 2.393 675 M HA -0.201 4.279 4.480 0.001 0.000 0.201 675 M C -0.435 175.317 176.300 -0.912 0.000 0.403 675 M CA 0.908 55.416 55.300 -1.321 0.000 0.471 675 M CB -1.989 30.168 32.600 -0.739 0.000 1.669 675 M HN 0.238 nan 8.290 nan 0.000 0.864 676 T N -2.583 111.675 114.554 -0.494 0.000 2.885 676 T HA 0.752 5.103 4.350 0.001 0.000 0.285 676 T C 0.347 175.120 174.700 0.120 0.000 1.019 676 T CA -0.268 61.752 62.100 -0.133 0.000 1.010 676 T CB 2.177 70.973 68.868 -0.120 0.000 1.022 676 T HN 0.352 nan 8.240 nan 0.000 0.466 677 S N 1.298 117.089 115.700 0.151 0.000 2.669 677 S HA 0.299 4.769 4.470 0.001 0.000 0.270 677 S C 0.222 174.903 174.600 0.135 0.000 1.225 677 S CA -0.642 57.642 58.200 0.139 0.000 0.991 677 S CB -0.283 62.899 63.200 -0.029 0.000 0.987 677 S HN 0.966 nan 8.310 nan 0.000 0.552 678 H N -0.153 119.036 119.070 0.199 0.000 2.655 678 H HA -0.180 4.377 4.556 0.001 0.000 0.313 678 H C -0.199 175.324 175.328 0.326 0.000 1.141 678 H CA 1.422 57.581 56.048 0.184 0.000 1.138 678 H CB -2.140 27.628 29.762 0.010 0.000 1.446 678 H HN 0.808 nan 8.280 nan 0.000 0.415 679 H N -0.379 118.914 119.070 0.371 0.000 2.761 679 H HA 0.179 4.736 4.556 0.001 0.000 0.263 679 H C -1.060 174.421 175.328 0.255 0.000 1.292 679 H CA -0.596 55.610 56.048 0.263 0.000 1.540 679 H CB -0.012 29.839 29.762 0.148 0.000 1.569 679 H HN 0.145 nan 8.280 nan 0.000 0.510 680 F N 4.613 124.538 119.950 -0.042 0.000 2.405 680 F HA 0.176 4.703 4.527 0.001 0.000 0.358 680 F C 0.260 175.955 175.800 -0.174 0.000 1.151 680 F CA -0.433 57.496 58.000 -0.119 0.000 1.161 680 F CB 0.498 39.461 39.000 -0.061 0.000 1.245 680 F HN 0.343 nan 8.300 nan 0.000 0.545 681 E N 4.978 124.995 120.200 -0.305 0.000 1.893 681 E HA 0.105 4.456 4.350 0.001 0.000 0.269 681 E C 1.150 177.578 176.600 -0.287 0.000 1.129 681 E CA 0.054 56.327 56.400 -0.212 0.000 0.904 681 E CB 1.145 30.771 29.700 -0.124 0.000 1.077 681 E HN 0.996 nan 8.360 nan 0.000 0.407 682 G N 3.090 111.831 108.800 -0.098 0.000 2.505 682 G HA2 -0.348 3.612 3.960 0.001 0.000 0.220 682 G HA3 -0.348 3.612 3.960 0.001 0.000 0.220 682 G C 1.414 176.267 174.900 -0.079 0.000 1.145 682 G CA 1.058 46.151 45.100 -0.012 0.000 0.761 682 G HN 0.538 nan 8.290 nan 0.000 0.571 683 A N 0.022 122.798 122.820 -0.074 0.000 1.930 683 A HA 0.045 4.365 4.320 0.001 0.000 0.215 683 A C 2.333 179.857 177.584 -0.100 0.000 1.176 683 A CA 1.678 53.668 52.037 -0.078 0.000 0.632 683 A CB -0.305 18.659 19.000 -0.060 0.000 0.819 683 A HN 0.456 nan 8.150 nan 0.000 0.445 684 Q N -0.452 119.271 119.800 -0.128 0.000 2.124 684 Q HA -0.084 4.257 4.340 0.001 0.000 0.202 684 Q C 1.925 177.830 176.000 -0.159 0.000 0.977 684 Q CA 1.503 57.224 55.803 -0.138 0.000 0.850 684 Q CB -0.269 28.381 28.738 -0.146 0.000 0.901 684 Q HN 0.729 nan 8.270 nan 0.000 0.429 685 I N 0.028 120.453 120.570 -0.242 0.000 2.333 685 I HA -0.213 3.957 4.170 0.001 0.000 0.246 685 I C 2.171 178.211 176.117 -0.129 0.000 1.106 685 I CA 0.312 61.449 61.300 -0.273 0.000 1.411 685 I CB -0.128 37.525 38.000 -0.580 0.000 1.082 685 I HN 0.206 nan 8.210 nan 0.000 0.420 686 L N 0.486 121.660 121.223 -0.083 0.000 2.012 686 L HA -0.253 4.088 4.340 0.001 0.000 0.210 686 L C 2.649 179.522 176.870 0.005 0.000 1.073 686 L CA 2.130 56.967 54.840 -0.005 0.000 0.748 686 L CB -0.820 41.242 42.059 0.005 0.000 0.891 686 L HN 0.183 nan 8.230 nan 0.000 0.431 687 S N -1.356 114.335 115.700 -0.015 0.000 2.368 687 S HA -0.259 4.211 4.470 0.001 0.000 0.225 687 S C 1.967 176.597 174.600 0.049 0.000 1.030 687 S CA 1.632 59.844 58.200 0.019 0.000 0.999 687 S CB -0.233 62.971 63.200 0.008 0.000 0.844 687 S HN 0.691 nan 8.310 nan 0.000 0.459 688 Q N 0.226 120.033 119.800 0.012 0.000 2.084 688 Q HA -0.013 4.327 4.340 0.001 0.000 0.202 688 Q C 2.287 178.312 176.000 0.042 0.000 0.978 688 Q CA 1.624 57.443 55.803 0.026 0.000 0.844 688 Q CB -0.299 28.422 28.738 -0.028 0.000 0.898 688 Q HN 0.528 nan 8.270 nan 0.000 0.426 689 L N 0.358 121.597 121.223 0.028 0.000 2.083 689 L HA -0.255 4.086 4.340 0.001 0.000 0.209 689 L C 2.377 179.295 176.870 0.080 0.000 1.083 689 L CA 1.301 56.169 54.840 0.047 0.000 0.752 689 L CB -0.345 41.739 42.059 0.041 0.000 0.899 689 L HN 0.306 nan 8.230 nan 0.000 0.433 690 Q N -1.157 118.692 119.800 0.081 0.000 2.049 690 Q HA -0.174 4.167 4.340 0.001 0.000 0.198 690 Q C 2.482 178.553 176.000 0.118 0.000 0.971 690 Q CA 1.733 57.589 55.803 0.089 0.000 0.833 690 Q CB -0.259 28.517 28.738 0.064 0.000 0.896 690 Q HN 0.533 nan 8.270 nan 0.000 0.434 691 C N 0.554 119.938 119.300 0.140 0.000 2.440 691 C HA -0.070 4.390 4.460 0.001 0.000 0.278 691 C C 2.844 178.004 174.990 0.283 0.000 1.295 691 C CA 1.154 60.296 59.018 0.206 0.000 1.738 691 C CB -0.877 27.045 27.740 0.303 0.000 1.987 691 C HN 0.602 nan 8.230 nan 0.000 0.492 692 S N -0.290 115.512 115.700 0.170 0.000 2.603 692 S HA 0.317 4.788 4.470 0.001 0.000 0.220 692 S C 1.436 176.022 174.600 -0.023 0.000 0.967 692 S CA 1.094 59.316 58.200 0.036 0.000 0.920 692 S CB -0.290 62.884 63.200 -0.043 0.000 0.773 692 S HN 1.060 nan 8.310 nan 0.000 0.529 693 G N 1.064 110.018 108.800 0.257 0.000 2.175 693 G HA2 -0.269 3.691 3.960 0.001 0.000 0.244 693 G HA3 -0.269 3.691 3.960 0.001 0.000 0.244 693 G C 0.815 175.893 174.900 0.297 0.000 0.982 693 G CA 0.392 45.721 45.100 0.382 0.000 0.641 693 G HN 0.363 nan 8.290 nan 0.000 0.527 694 M N 0.180 119.888 119.600 0.180 0.000 2.159 694 M HA -0.002 4.478 4.480 0.001 0.000 0.263 694 M C 2.710 179.108 176.300 0.163 0.000 1.063 694 M CA 1.785 57.193 55.300 0.180 0.000 1.110 694 M CB -1.303 31.369 32.600 0.119 0.000 1.374 694 M HN 0.240 nan 8.290 nan 0.000 0.411 695 V N -0.350 119.650 119.914 0.144 0.000 2.358 695 V HA -0.222 3.898 4.120 0.001 0.000 0.246 695 V C 2.641 178.821 176.094 0.143 0.000 1.047 695 V CA 1.919 64.289 62.300 0.117 0.000 1.035 695 V CB -1.005 30.879 31.823 0.102 0.000 0.658 695 V HN 0.548 nan 8.190 nan 0.000 0.452 696 S N 0.008 115.820 115.700 0.187 0.000 2.374 696 S HA -0.207 4.263 4.470 0.001 0.000 0.227 696 S C 2.034 176.741 174.600 0.179 0.000 1.037 696 S CA 2.125 60.449 58.200 0.207 0.000 1.024 696 S CB -0.360 63.034 63.200 0.323 0.000 0.861 696 S HN 0.312 nan 8.310 nan 0.000 0.456 697 V N 2.218 122.247 119.914 0.191 0.000 2.332 697 V HA -0.176 3.945 4.120 0.001 0.000 0.248 697 V C 2.483 178.642 176.094 0.109 0.000 1.055 697 V CA 2.071 64.447 62.300 0.127 0.000 1.038 697 V CB -0.754 31.161 31.823 0.155 0.000 0.651 697 V HN 0.531 nan 8.190 nan 0.000 0.450 698 L N -0.460 120.835 121.223 0.120 0.000 2.083 698 L HA -0.171 4.170 4.340 0.001 0.000 0.209 698 L C 2.353 179.291 176.870 0.113 0.000 1.083 698 L CA 1.475 56.381 54.840 0.109 0.000 0.752 698 L CB -0.845 41.266 42.059 0.087 0.000 0.899 698 L HN 0.332 nan 8.230 nan 0.000 0.433 699 D N 0.304 120.773 120.400 0.116 0.000 2.097 699 D HA -0.185 4.455 4.640 0.001 0.000 0.195 699 D C 2.088 178.445 176.300 0.095 0.000 0.989 699 D CA 1.040 55.108 54.000 0.114 0.000 0.827 699 D CB -0.230 40.641 40.800 0.118 0.000 0.966 699 D HN 0.115 nan 8.370 nan 0.000 0.456 700 L N 0.445 121.717 121.223 0.082 0.000 2.013 700 L HA -0.181 4.159 4.340 0.001 0.000 0.212 700 L C 2.246 179.154 176.870 0.063 0.000 1.073 700 L CA 1.734 56.602 54.840 0.048 0.000 0.753 700 L CB -0.501 41.566 42.059 0.013 0.000 0.890 700 L HN 0.008 nan 8.230 nan 0.000 0.432 701 M N -1.578 118.083 119.600 0.101 0.000 2.229 701 M HA -0.172 4.308 4.480 0.001 0.000 0.264 701 M C 2.062 178.460 176.300 0.164 0.000 1.063 701 M CA 1.135 56.532 55.300 0.161 0.000 1.114 701 M CB -0.387 32.313 32.600 0.166 0.000 1.387 701 M HN 0.285 nan 8.290 nan 0.000 0.420 702 Q N -0.056 119.820 119.800 0.128 0.000 2.364 702 Q HA -0.059 4.281 4.340 0.001 0.000 0.209 702 Q C 2.110 178.156 176.000 0.076 0.000 0.977 702 Q CA 1.476 57.345 55.803 0.110 0.000 0.885 702 Q CB -0.580 28.227 28.738 0.115 0.000 0.941 702 Q HN 0.658 nan 8.270 nan 0.000 0.464 703 G N -0.468 108.377 108.800 0.074 0.000 2.484 703 G HA2 -0.010 3.950 3.960 0.001 0.000 0.218 703 G HA3 -0.010 3.950 3.960 0.001 0.000 0.218 703 G C 1.001 175.935 174.900 0.057 0.000 1.130 703 G CA 0.914 46.041 45.100 0.045 0.000 0.784 703 G HN 0.468 nan 8.290 nan 0.000 0.543 704 G N -0.528 108.362 108.800 0.150 0.000 2.665 704 G HA2 0.446 4.407 3.960 0.001 0.000 0.204 704 G HA3 0.446 4.407 3.960 0.001 0.000 0.204 704 G C -0.688 174.160 174.900 -0.086 0.000 1.883 704 G CA -0.479 44.782 45.100 0.269 0.000 0.734 704 G HN 0.069 nan 8.290 nan 0.000 0.811 705 F N 2.234 122.318 119.950 0.224 0.000 2.564 705 F HA 0.393 4.920 4.527 0.001 0.000 0.368 705 F C -1.667 174.244 175.800 0.185 0.000 1.127 705 F CA -1.850 56.229 58.000 0.133 0.000 1.170 705 F CB 2.603 41.610 39.000 0.012 0.000 1.397 705 F HN 0.103 nan 8.300 nan 0.000 0.493 706 P HA 0.004 nan 4.420 nan 0.000 0.227 706 P C 0.041 177.470 177.300 0.214 0.000 1.161 706 P CA 0.581 63.820 63.100 0.232 0.000 0.788 706 P CB 0.484 32.294 31.700 0.184 0.000 0.822 707 S N 0.831 116.675 115.700 0.241 0.000 2.429 707 S HA 0.459 4.929 4.470 0.001 0.000 0.302 707 S C 0.004 174.688 174.600 0.141 0.000 1.115 707 S CA -0.491 57.828 58.200 0.198 0.000 1.095 707 S CB 0.949 64.275 63.200 0.211 0.000 0.987 707 S HN 0.057 nan 8.310 nan 0.000 0.474 708 R N 1.644 122.113 120.500 -0.052 0.000 2.514 708 R HA 0.704 5.044 4.340 0.001 0.000 0.296 708 R C -1.250 174.865 176.300 -0.309 0.000 1.012 708 R CA -0.490 55.406 56.100 -0.340 0.000 0.897 708 R CB 1.905 31.990 30.300 -0.359 0.000 1.184 708 R HN 0.632 nan 8.270 nan 0.000 0.440 709 A N 1.658 124.244 122.820 -0.390 0.000 2.381 709 A HA 0.523 4.843 4.320 0.001 0.000 0.299 709 A C -0.213 177.180 177.584 -0.318 0.000 1.049 709 A CA -0.780 51.123 52.037 -0.223 0.000 0.715 709 A CB 1.487 20.443 19.000 -0.074 0.000 1.222 709 A HN 0.722 nan 8.150 nan 0.000 0.428 710 S N 1.379 116.928 115.700 -0.252 0.000 2.579 710 S HA 0.409 4.879 4.470 0.001 0.000 0.275 710 S C 0.701 175.243 174.600 -0.096 0.000 1.345 710 S CA -0.188 57.812 58.200 -0.332 0.000 1.031 710 S CB -0.121 62.965 63.200 -0.191 0.000 0.892 710 S HN 0.534 nan 8.310 nan 0.000 0.529 711 F N 1.096 121.061 119.950 0.024 0.000 2.120 711 F HA -0.053 4.474 4.527 0.001 0.000 0.300 711 F C 2.460 178.382 175.800 0.203 0.000 1.095 711 F CA 1.898 59.964 58.000 0.109 0.000 1.249 711 F CB -1.721 37.314 39.000 0.058 0.000 0.995 711 F HN 0.698 nan 8.300 nan 0.000 0.480 712 H N -0.242 118.965 119.070 0.228 0.000 2.319 712 H HA -0.129 4.428 4.556 0.001 0.000 0.299 712 H C 2.137 177.591 175.328 0.210 0.000 1.092 712 H CA 1.942 58.103 56.048 0.189 0.000 1.302 712 H CB -0.439 29.380 29.762 0.095 0.000 1.373 712 H HN 0.324 nan 8.280 nan 0.000 0.497 713 E N 0.010 120.377 120.200 0.279 0.000 2.077 713 E HA -0.147 4.204 4.350 0.001 0.000 0.193 713 E C 2.191 178.953 176.600 0.270 0.000 0.989 713 E CA 1.054 57.583 56.400 0.215 0.000 0.800 713 E CB -0.094 29.701 29.700 0.159 0.000 0.746 713 E HN 0.368 nan 8.360 nan 0.000 0.452 714 L N -0.100 121.356 121.223 0.387 0.000 2.027 714 L HA -0.185 4.156 4.340 0.001 0.000 0.206 714 L C 2.542 179.746 176.870 0.557 0.000 1.074 714 L CA 1.235 56.440 54.840 0.607 0.000 0.745 714 L CB -0.491 41.998 42.059 0.716 0.000 0.898 714 L HN 0.207 nan 8.230 nan 0.000 0.433 715 Y N 1.339 121.786 120.300 0.245 0.000 2.151 715 Y HA -0.310 4.241 4.550 0.001 0.000 0.284 715 Y C 2.469 178.237 175.900 -0.221 0.000 1.166 715 Y CA 1.861 59.822 58.100 -0.233 0.000 1.163 715 Y CB -0.285 37.982 38.460 -0.321 0.000 0.974 715 Y HN 0.230 nan 8.280 nan 0.000 0.511 716 N N 0.017 118.658 118.700 -0.098 0.000 2.188 716 N HA -0.172 4.568 4.740 0.001 0.000 0.184 716 N C 1.900 177.288 175.510 -0.202 0.000 1.018 716 N CA 1.822 54.759 53.050 -0.189 0.000 0.858 716 N CB -0.395 38.087 38.487 -0.009 0.000 0.989 716 N HN 0.489 nan 8.380 nan 0.000 0.426 717 M N -0.799 118.715 119.600 -0.143 0.000 2.132 717 M HA -0.114 4.366 4.480 0.001 0.000 0.263 717 M C 0.802 176.853 176.300 -0.415 0.000 1.065 717 M CA 1.467 56.558 55.300 -0.349 0.000 1.122 717 M CB 0.010 32.272 32.600 -0.564 0.000 1.365 717 M HN 0.117 nan 8.290 nan 0.000 0.411 718 Y N -0.706 119.698 120.300 0.175 0.000 2.500 718 Y HA 0.114 4.665 4.550 0.001 0.000 0.246 718 Y C 1.952 178.001 175.900 0.249 0.000 1.146 718 Y CA -0.209 58.109 58.100 0.364 0.000 1.230 718 Y CB -0.268 38.517 38.460 0.542 0.000 1.214 718 Y HN 0.167 nan 8.280 nan 0.000 0.526 719 K N 1.633 121.984 120.400 -0.081 0.000 2.152 719 K HA -0.241 4.080 4.320 0.001 0.000 0.206 719 K C 1.568 178.137 176.600 -0.052 0.000 1.048 719 K CA 2.017 58.175 56.287 -0.216 0.000 0.933 719 K CB -0.406 31.585 32.500 -0.847 0.000 0.721 719 K HN 0.379 nan 8.250 nan 0.000 0.447 720 K N 0.118 120.397 120.400 -0.202 0.000 2.280 720 K HA -0.142 4.178 4.320 0.001 0.000 0.202 720 K C 1.172 177.632 176.600 -0.233 0.000 1.047 720 K CA 1.268 57.391 56.287 -0.273 0.000 0.942 720 K CB -0.350 31.895 32.500 -0.425 0.000 0.739 720 K HN 0.302 nan 8.250 nan 0.000 0.457 721 Y N 0.365 120.730 120.300 0.108 0.000 2.523 721 Y HA 0.182 4.732 4.550 0.001 0.000 0.279 721 Y C 0.875 176.840 175.900 0.108 0.000 1.139 721 Y CA -0.647 57.517 58.100 0.106 0.000 1.296 721 Y CB 0.250 38.786 38.460 0.127 0.000 1.045 721 Y HN 0.031 nan 8.280 nan 0.000 0.538 722 M N 0.178 119.939 119.600 0.268 0.000 2.654 722 M HA 0.369 4.849 4.480 0.001 0.000 0.310 722 M C -2.472 173.924 176.300 0.160 0.000 1.211 722 M CA -3.077 52.359 55.300 0.228 0.000 0.947 722 M CB 0.108 32.909 32.600 0.335 0.000 1.647 722 M HN -0.230 nan 8.290 nan 0.000 0.481 723 P HA 0.062 nan 4.420 nan 0.000 0.267 723 P C 0.088 177.456 177.300 0.114 0.000 1.200 723 P CA -0.005 63.154 63.100 0.098 0.000 0.772 723 P CB 0.473 32.220 31.700 0.080 0.000 0.855 724 D N 1.519 121.968 120.400 0.082 0.000 2.158 724 D HA -0.202 4.438 4.640 0.001 0.000 0.197 724 D C 1.601 177.957 176.300 0.094 0.000 0.995 724 D CA 1.369 55.414 54.000 0.075 0.000 0.846 724 D CB -0.130 40.698 40.800 0.048 0.000 0.941 724 D HN 0.491 nan 8.370 nan 0.000 0.456 725 K N 0.132 120.585 120.400 0.088 0.000 2.103 725 K HA -0.152 4.168 4.320 0.001 0.000 0.207 725 K C 2.082 178.758 176.600 0.127 0.000 1.048 725 K CA 0.698 57.036 56.287 0.085 0.000 0.930 725 K CB -0.131 32.409 32.500 0.068 0.000 0.716 725 K HN 0.055 nan 8.250 nan 0.000 0.444 726 L N 0.476 121.805 121.223 0.176 0.000 2.131 726 L HA 0.018 4.358 4.340 0.001 0.000 0.206 726 L C 2.178 179.329 176.870 0.469 0.000 1.087 726 L CA 1.360 56.370 54.840 0.282 0.000 0.767 726 L CB -0.371 41.837 42.059 0.248 0.000 0.917 726 L HN 0.159 nan 8.230 nan 0.000 0.441 727 A N -0.955 122.078 122.820 0.356 0.000 2.178 727 A HA -0.167 4.154 4.320 0.001 0.000 0.218 727 A C 2.318 180.063 177.584 0.268 0.000 1.157 727 A CA 1.169 53.366 52.037 0.267 0.000 0.689 727 A CB -0.534 18.521 19.000 0.092 0.000 0.787 727 A HN 0.385 nan 8.150 nan 0.000 0.465 728 R N -0.781 119.843 120.500 0.207 0.000 2.200 728 R HA 0.177 4.518 4.340 0.001 0.000 0.208 728 R C -0.081 176.276 176.300 0.094 0.000 1.033 728 R CA -0.100 56.077 56.100 0.129 0.000 1.000 728 R CB -0.263 30.081 30.300 0.074 0.000 0.906 728 R HN 0.473 nan 8.270 nan 0.000 0.462 729 L N 1.942 123.243 121.223 0.130 0.000 2.483 729 L HA 0.024 4.364 4.340 0.001 0.000 0.276 729 L C -0.027 176.748 176.870 -0.159 0.000 1.213 729 L CA -0.012 54.851 54.840 0.037 0.000 0.843 729 L CB -0.039 42.103 42.059 0.137 0.000 1.107 729 L HN 0.196 nan 8.230 nan 0.000 0.487 730 D N 1.399 121.574 120.400 -0.375 0.000 4.044 730 D HA -0.104 4.537 4.640 0.001 0.000 0.242 730 D C -1.867 174.222 176.300 -0.352 0.000 1.076 730 D CA -0.189 53.630 54.000 -0.301 0.000 1.171 730 D CB 0.043 40.766 40.800 -0.129 0.000 0.866 730 D HN 0.310 nan 8.370 nan 0.000 0.413 731 P HA -0.216 nan 4.420 nan 0.000 0.216 731 P C 1.574 178.871 177.300 -0.004 0.000 1.154 731 P CA 1.669 64.517 63.100 -0.420 0.000 0.865 731 P CB 0.017 31.350 31.700 -0.611 0.000 0.789 732 R N -0.547 119.917 120.500 -0.059 0.000 2.073 732 R HA -0.135 4.205 4.340 0.001 0.000 0.234 732 R C 2.067 178.294 176.300 -0.121 0.000 1.134 732 R CA 1.383 57.358 56.100 -0.209 0.000 0.952 732 R CB -1.043 29.203 30.300 -0.091 0.000 0.850 732 R HN 0.101 nan 8.270 nan 0.000 0.433 733 L N 0.565 121.765 121.223 -0.038 0.000 2.109 733 L HA -0.065 4.275 4.340 0.001 0.000 0.207 733 L C 1.959 178.894 176.870 0.107 0.000 1.086 733 L CA 1.414 56.251 54.840 -0.004 0.000 0.760 733 L CB -0.791 41.244 42.059 -0.040 0.000 0.910 733 L HN 0.178 nan 8.230 nan 0.000 0.437 734 F N -0.148 119.819 119.950 0.028 0.000 2.043 734 F HA -0.357 4.171 4.527 0.001 0.000 0.297 734 F C 2.538 178.467 175.800 0.215 0.000 1.121 734 F CA 2.347 60.444 58.000 0.162 0.000 1.199 734 F CB -0.808 38.361 39.000 0.282 0.000 0.968 734 F HN 0.170 nan 8.300 nan 0.000 0.478 735 C N 1.236 120.747 119.300 0.353 0.000 2.429 735 C HA -0.153 4.308 4.460 0.001 0.000 0.277 735 C C 2.741 177.874 174.990 0.238 0.000 1.262 735 C CA 0.929 60.141 59.018 0.323 0.000 1.733 735 C CB -1.081 26.855 27.740 0.327 0.000 2.010 735 C HN 0.435 nan 8.230 nan 0.000 0.483 736 K N 1.143 121.588 120.400 0.075 0.000 2.074 736 K HA -0.166 4.154 4.320 0.001 0.000 0.209 736 K C 2.225 178.876 176.600 0.085 0.000 1.048 736 K CA 1.811 58.019 56.287 -0.133 0.000 0.926 736 K CB -0.519 31.916 32.500 -0.108 0.000 0.713 736 K HN 0.540 nan 8.250 nan 0.000 0.444 737 A N 1.004 123.916 122.820 0.154 0.000 1.929 737 A HA -0.115 4.206 4.320 0.001 0.000 0.216 737 A C 2.145 179.724 177.584 -0.008 0.000 1.176 737 A CA 0.910 53.052 52.037 0.175 0.000 0.628 737 A CB -0.367 18.727 19.000 0.156 0.000 0.816 737 A HN 0.095 nan 8.150 nan 0.000 0.444 738 L N -1.387 119.809 121.223 -0.045 0.000 1.970 738 L HA -0.114 4.227 4.340 0.001 0.000 0.212 738 L C 2.336 179.229 176.870 0.039 0.000 1.071 738 L CA 1.839 56.669 54.840 -0.017 0.000 0.751 738 L CB -1.136 40.957 42.059 0.057 0.000 0.889 738 L HN 0.467 nan 8.230 nan 0.000 0.432 739 F N -0.319 119.569 119.950 -0.103 0.000 2.087 739 F HA -0.358 4.169 4.527 0.001 0.000 0.299 739 F C 2.595 178.254 175.800 -0.235 0.000 1.100 739 F CA 1.821 59.729 58.000 -0.153 0.000 1.226 739 F CB -0.196 38.715 39.000 -0.149 0.000 0.983 739 F HN 0.036 nan 8.300 nan 0.000 0.479 740 K N 0.405 120.716 120.400 -0.149 0.000 2.025 740 K HA -0.073 4.247 4.320 0.001 0.000 0.207 740 K C 2.033 178.454 176.600 -0.298 0.000 1.049 740 K CA 1.338 57.380 56.287 -0.409 0.000 0.933 740 K CB -0.557 31.355 32.500 -0.980 0.000 0.714 740 K HN 0.135 nan 8.250 nan 0.000 0.438 741 A N 0.228 122.923 122.820 -0.209 0.000 1.930 741 A HA -0.034 4.286 4.320 0.001 0.000 0.217 741 A C 2.040 179.539 177.584 -0.142 0.000 1.175 741 A CA 1.368 53.313 52.037 -0.154 0.000 0.627 741 A CB -0.511 18.425 19.000 -0.108 0.000 0.815 741 A HN 0.303 nan 8.150 nan 0.000 0.443 742 L N -1.459 119.679 121.223 -0.143 0.000 2.307 742 L HA 0.221 4.562 4.340 0.001 0.000 0.211 742 L C 1.547 178.329 176.870 -0.147 0.000 1.099 742 L CA 0.494 55.251 54.840 -0.139 0.000 0.816 742 L CB -0.455 41.513 42.059 -0.152 0.000 0.952 742 L HN 0.520 nan 8.230 nan 0.000 0.455 743 G N 1.663 110.361 108.800 -0.171 0.000 2.298 743 G HA2 -0.262 3.699 3.960 0.001 0.000 0.287 743 G HA3 -0.262 3.699 3.960 0.001 0.000 0.287 743 G C -0.001 174.807 174.900 -0.153 0.000 1.075 743 G CA -0.292 44.721 45.100 -0.145 0.000 0.960 743 G HN 0.199 nan 8.290 nan 0.000 0.502 744 L N 0.552 121.601 121.223 -0.291 0.000 2.462 744 L HA 0.185 4.526 4.340 0.001 0.000 0.272 744 L C 1.174 178.004 176.870 -0.067 0.000 1.166 744 L CA -0.310 54.305 54.840 -0.374 0.000 0.880 744 L CB 0.198 41.602 42.059 -1.091 0.000 1.142 744 L HN 0.648 nan 8.230 nan 0.000 0.473 745 N N 1.281 120.052 118.700 0.119 0.000 2.444 745 N HA 0.002 4.743 4.740 0.001 0.000 0.255 745 N C 0.290 175.929 175.510 0.214 0.000 1.255 745 N CA -0.441 52.697 53.050 0.148 0.000 0.933 745 N CB 0.706 39.272 38.487 0.133 0.000 1.143 745 N HN 0.501 nan 8.380 nan 0.000 0.453 746 E N 0.356 120.653 120.200 0.161 0.000 2.347 746 E HA 0.018 4.368 4.350 0.001 0.000 0.196 746 E C 1.026 177.734 176.600 0.181 0.000 1.008 746 E CA 0.560 57.065 56.400 0.175 0.000 0.852 746 E CB -0.186 29.585 29.700 0.118 0.000 0.783 746 E HN 0.621 nan 8.360 nan 0.000 0.505 747 I N 1.004 121.664 120.570 0.150 0.000 2.233 747 I HA -0.204 3.967 4.170 0.001 0.000 0.243 747 I C 1.386 177.575 176.117 0.120 0.000 1.093 747 I CA 1.102 62.477 61.300 0.125 0.000 1.380 747 I CB 0.052 38.096 38.000 0.073 0.000 1.067 747 I HN 0.003 nan 8.210 nan 0.000 0.413 748 D N -0.814 119.625 120.400 0.066 0.000 2.271 748 D HA 0.016 4.657 4.640 0.001 0.000 0.206 748 D C -0.226 175.938 176.300 -0.227 0.000 0.967 748 D CA 0.974 54.881 54.000 -0.155 0.000 0.867 748 D CB 0.203 40.812 40.800 -0.320 0.000 0.960 748 D HN 0.221 nan 8.370 nan 0.000 0.509 749 Y N -0.091 120.333 120.300 0.206 0.000 2.391 749 Y HA 0.455 5.005 4.550 0.001 0.000 0.341 749 Y C -0.081 175.963 175.900 0.240 0.000 0.965 749 Y CA -1.048 57.146 58.100 0.155 0.000 1.067 749 Y CB 1.788 40.210 38.460 -0.063 0.000 1.199 749 Y HN -0.485 nan 8.280 nan 0.000 0.450 750 K N 3.231 123.795 120.400 0.275 0.000 2.483 750 K HA 0.333 4.654 4.320 0.001 0.000 0.256 750 K C -1.457 175.228 176.600 0.142 0.000 0.961 750 K CA -0.476 55.885 56.287 0.123 0.000 0.873 750 K CB 0.684 33.009 32.500 -0.293 0.000 1.107 750 K HN 0.557 nan 8.250 nan 0.000 0.432 751 F N 3.406 123.337 119.950 -0.032 0.000 2.468 751 F HA 0.305 4.833 4.527 0.001 0.000 0.356 751 F C 0.940 176.712 175.800 -0.046 0.000 1.167 751 F CA 0.150 58.001 58.000 -0.247 0.000 1.135 751 F CB 0.069 38.675 39.000 -0.656 0.000 1.197 751 F HN 0.621 nan 8.300 nan 0.000 0.569 752 G N 4.975 113.721 108.800 -0.090 0.000 2.508 752 G HA2 0.170 4.131 3.960 0.001 0.000 0.278 752 G HA3 0.170 4.131 3.960 0.001 0.000 0.278 752 G C 0.882 175.797 174.900 0.025 0.000 1.389 752 G CA -0.628 44.475 45.100 0.004 0.000 1.050 752 G HN 0.678 nan 8.290 nan 0.000 0.522 753 L N -0.619 120.608 121.223 0.006 0.000 2.109 753 L HA 0.043 4.384 4.340 0.001 0.000 0.207 753 L C 2.657 179.541 176.870 0.023 0.000 1.086 753 L CA 1.915 56.776 54.840 0.035 0.000 0.760 753 L CB -0.205 41.849 42.059 -0.008 0.000 0.910 753 L HN 0.722 nan 8.230 nan 0.000 0.437 754 T N -5.853 108.578 114.554 -0.205 0.000 3.041 754 T HA 0.276 4.627 4.350 0.001 0.000 0.276 754 T C 0.368 174.323 174.700 -1.242 0.000 0.948 754 T CA -0.430 61.392 62.100 -0.465 0.000 0.885 754 T CB 0.556 69.269 68.868 -0.258 0.000 1.175 754 T HN -0.002 nan 8.240 nan 0.000 0.529 755 K N 0.580 120.305 120.400 -1.125 0.000 2.512 755 K HA 0.720 5.040 4.320 0.001 0.000 0.263 755 K C -1.586 174.451 176.600 -0.937 0.000 0.966 755 K CA -0.890 54.696 56.287 -1.168 0.000 0.851 755 K CB 3.165 35.065 32.500 -1.000 0.000 1.395 755 K HN -0.078 nan 8.250 nan 0.000 0.440 756 V N 2.405 121.854 119.914 -0.776 0.000 2.439 756 V HA 0.392 4.512 4.120 0.001 0.000 0.282 756 V C -0.873 174.695 176.094 -0.876 0.000 1.039 756 V CA -0.424 61.514 62.300 -0.604 0.000 0.913 756 V CB 0.288 31.835 31.823 -0.459 0.000 0.983 756 V HN 0.495 nan 8.190 nan 0.000 0.460 757 F N 4.565 124.172 119.950 -0.571 0.000 2.444 757 F HA 0.658 5.186 4.527 0.001 0.000 0.342 757 F C -0.257 175.387 175.800 -0.260 0.000 1.121 757 F CA -0.461 57.302 58.000 -0.395 0.000 0.997 757 F CB 1.354 40.034 39.000 -0.532 0.000 1.130 757 F HN 0.297 nan 8.300 nan 0.000 0.454 758 F N 2.673 122.808 119.950 0.309 0.000 2.495 758 F HA 0.544 5.071 4.527 0.001 0.000 0.327 758 F C 0.529 176.413 175.800 0.140 0.000 1.103 758 F CA -1.236 56.882 58.000 0.197 0.000 0.949 758 F CB 1.053 40.075 39.000 0.036 0.000 1.142 758 F HN 0.265 nan 8.300 nan 0.000 0.457 759 R N 1.836 122.351 120.500 0.024 0.000 2.784 759 R HA 0.152 4.493 4.340 0.001 0.000 0.266 759 R C -2.483 173.795 176.300 -0.035 0.000 1.044 759 R CA -1.444 54.501 56.100 -0.259 0.000 1.151 759 R CB -0.238 29.870 30.300 -0.321 0.000 1.037 759 R HN 0.244 nan 8.270 nan 0.000 0.478 760 P HA -0.045 nan 4.420 nan 0.000 0.262 760 P C 0.659 177.999 177.300 0.067 0.000 1.182 760 P CA 1.163 64.297 63.100 0.058 0.000 0.761 760 P CB 0.353 32.091 31.700 0.064 0.000 0.795 761 G N 2.986 111.847 108.800 0.101 0.000 2.234 761 G HA2 -0.295 3.666 3.960 0.001 0.000 0.260 761 G HA3 -0.295 3.666 3.960 0.001 0.000 0.260 761 G C 1.277 176.207 174.900 0.051 0.000 0.987 761 G CA 0.128 45.292 45.100 0.106 0.000 0.625 761 G HN 0.449 nan 8.290 nan 0.000 0.532 762 K N -0.303 120.121 120.400 0.041 0.000 2.167 762 K HA 0.244 4.565 4.320 0.001 0.000 0.203 762 K C 1.929 178.639 176.600 0.183 0.000 1.052 762 K CA 0.866 57.180 56.287 0.046 0.000 0.956 762 K CB -0.435 31.945 32.500 -0.199 0.000 0.735 762 K HN 0.417 nan 8.250 nan 0.000 0.451 763 F N 2.332 122.116 119.950 -0.278 0.000 2.134 763 F HA -0.118 4.410 4.527 0.001 0.000 0.299 763 F C 2.108 177.758 175.800 -0.249 0.000 1.097 763 F CA 0.822 58.409 58.000 -0.689 0.000 1.264 763 F CB -0.720 37.747 39.000 -0.888 0.000 1.001 763 F HN 0.000 nan 8.300 nan 0.000 0.479 764 A N -0.269 122.422 122.820 -0.214 0.000 1.902 764 A HA -0.241 4.080 4.320 0.001 0.000 0.217 764 A C 2.281 179.827 177.584 -0.064 0.000 1.181 764 A CA 1.742 53.633 52.037 -0.244 0.000 0.623 764 A CB -0.982 17.859 19.000 -0.265 0.000 0.818 764 A HN 0.512 nan 8.150 nan 0.000 0.443 765 E N -1.345 118.886 120.200 0.052 0.000 2.077 765 E HA -0.203 4.148 4.350 0.001 0.000 0.193 765 E C 1.762 178.440 176.600 0.131 0.000 0.989 765 E CA 1.347 57.813 56.400 0.109 0.000 0.800 765 E CB -0.259 29.548 29.700 0.179 0.000 0.746 765 E HN 0.612 nan 8.360 nan 0.000 0.452 766 F N 1.824 121.828 119.950 0.091 0.000 2.134 766 F HA -0.174 4.354 4.527 0.001 0.000 0.299 766 F C 1.870 177.571 175.800 -0.165 0.000 1.097 766 F CA 2.149 60.166 58.000 0.027 0.000 1.264 766 F CB -0.459 38.681 39.000 0.234 0.000 1.001 766 F HN 0.057 nan 8.300 nan 0.000 0.479 767 D N -0.313 119.920 120.400 -0.280 0.000 2.149 767 D HA -0.276 4.364 4.640 0.001 0.000 0.198 767 D C 2.273 178.370 176.300 -0.339 0.000 0.990 767 D CA 1.621 55.399 54.000 -0.370 0.000 0.839 767 D CB -0.408 40.246 40.800 -0.243 0.000 0.948 767 D HN 0.549 nan 8.370 nan 0.000 0.460 768 Q N -0.016 119.649 119.800 -0.226 0.000 2.046 768 Q HA -0.148 4.192 4.340 0.001 0.000 0.200 768 Q C 2.369 178.240 176.000 -0.215 0.000 0.975 768 Q CA 1.189 56.888 55.803 -0.172 0.000 0.836 768 Q CB -0.173 28.514 28.738 -0.085 0.000 0.896 768 Q HN 0.438 nan 8.270 nan 0.000 0.428 769 I N 0.730 121.158 120.570 -0.237 0.000 2.208 769 I HA -0.303 3.867 4.170 0.001 0.000 0.245 769 I C 2.312 178.227 176.117 -0.337 0.000 1.097 769 I CA 0.932 62.090 61.300 -0.237 0.000 1.363 769 I CB -0.236 37.644 38.000 -0.202 0.000 1.051 769 I HN 0.317 nan 8.210 nan 0.000 0.413 770 M N 0.109 119.370 119.600 -0.564 0.000 2.374 770 M HA -0.142 4.338 4.480 0.001 0.000 0.264 770 M C 1.835 177.729 176.300 -0.676 0.000 1.067 770 M CA 1.608 56.538 55.300 -0.616 0.000 1.103 770 M CB -0.948 31.131 32.600 -0.868 0.000 1.402 770 M HN 0.183 nan 8.290 nan 0.000 0.444 771 K N -0.121 119.950 120.400 -0.548 0.000 2.374 771 K HA 0.082 4.402 4.320 0.001 0.000 0.196 771 K C 1.018 177.500 176.600 -0.196 0.000 1.023 771 K CA -0.061 55.950 56.287 -0.460 0.000 1.103 771 K CB 0.519 32.816 32.500 -0.337 0.000 0.848 771 K HN 0.303 nan 8.250 nan 0.000 0.528 772 S N 0.361 115.967 115.700 -0.157 0.000 2.647 772 S HA 0.175 4.646 4.470 0.001 0.000 0.284 772 S C -0.307 174.271 174.600 -0.036 0.000 1.134 772 S CA -0.782 57.376 58.200 -0.070 0.000 1.027 772 S CB 0.960 64.124 63.200 -0.060 0.000 1.180 772 S HN 0.073 nan 8.310 nan 0.000 0.521 773 D N 0.148 120.560 120.400 0.019 0.000 2.446 773 D HA 0.462 5.103 4.640 0.001 0.000 0.251 773 D C -2.117 174.223 176.300 0.066 0.000 1.137 773 D CA -2.352 51.669 54.000 0.035 0.000 0.890 773 D CB 1.335 42.155 40.800 0.034 0.000 1.071 773 D HN 0.037 nan 8.370 nan 0.000 0.528 774 P HA -0.205 nan 4.420 nan 0.000 0.220 774 P C 0.726 178.065 177.300 0.065 0.000 1.155 774 P CA 1.249 64.394 63.100 0.074 0.000 0.880 774 P CB 0.313 32.058 31.700 0.075 0.000 0.790 775 D N -2.599 117.842 120.400 0.067 0.000 2.117 775 D HA -0.160 4.481 4.640 0.001 0.000 0.198 775 D C 1.938 178.282 176.300 0.074 0.000 0.982 775 D CA 1.178 55.215 54.000 0.063 0.000 0.828 775 D CB -0.697 40.139 40.800 0.059 0.000 0.967 775 D HN 0.332 nan 8.370 nan 0.000 0.464 776 H N 0.470 119.541 119.070 0.001 0.000 2.357 776 H HA -0.058 4.498 4.556 0.001 0.000 0.301 776 H C 1.952 177.274 175.328 -0.009 0.000 1.082 776 H CA 0.877 56.921 56.048 -0.007 0.000 1.342 776 H CB -0.209 29.544 29.762 -0.015 0.000 1.389 776 H HN -0.072 nan 8.280 nan 0.000 0.511 777 L N 0.727 121.928 121.223 -0.037 0.000 1.989 777 L HA -0.141 4.200 4.340 0.001 0.000 0.211 777 L C 2.744 179.560 176.870 -0.089 0.000 1.071 777 L CA 1.996 56.785 54.840 -0.085 0.000 0.749 777 L CB -1.638 40.416 42.059 -0.009 0.000 0.890 777 L HN 0.478 nan 8.230 nan 0.000 0.431 778 A N -1.255 121.546 122.820 -0.031 0.000 1.927 778 A HA -0.261 4.059 4.320 0.001 0.000 0.220 778 A C 2.311 179.868 177.584 -0.046 0.000 1.185 778 A CA 1.920 53.947 52.037 -0.015 0.000 0.639 778 A CB -0.528 18.480 19.000 0.015 0.000 0.820 778 A HN 0.443 nan 8.150 nan 0.000 0.451 779 E N -0.118 120.029 120.200 -0.088 0.000 2.106 779 E HA -0.100 4.250 4.350 0.001 0.000 0.192 779 E C 2.014 178.530 176.600 -0.140 0.000 0.984 779 E CA 0.850 57.190 56.400 -0.100 0.000 0.806 779 E CB -0.278 29.363 29.700 -0.100 0.000 0.750 779 E HN 0.695 nan 8.360 nan 0.000 0.458 780 L N -0.136 120.950 121.223 -0.228 0.000 2.093 780 L HA -0.146 4.194 4.340 0.001 0.000 0.208 780 L C 2.501 179.308 176.870 -0.104 0.000 1.085 780 L CA 0.588 55.311 54.840 -0.195 0.000 0.755 780 L CB -0.336 41.573 42.059 -0.250 0.000 0.904 780 L HN -0.004 nan 8.230 nan 0.000 0.435 781 V N 0.044 119.915 119.914 -0.073 0.000 2.307 781 V HA -0.306 3.815 4.120 0.001 0.000 0.245 781 V C 2.542 178.643 176.094 0.011 0.000 1.045 781 V CA 1.864 64.153 62.300 -0.020 0.000 1.024 781 V CB -0.588 31.236 31.823 0.001 0.000 0.651 781 V HN 0.438 nan 8.190 nan 0.000 0.449 782 K N 1.013 121.414 120.400 0.002 0.000 2.044 782 K HA -0.255 4.065 4.320 0.001 0.000 0.210 782 K C 2.279 178.898 176.600 0.032 0.000 1.049 782 K CA 2.084 58.384 56.287 0.022 0.000 0.927 782 K CB -0.225 32.281 32.500 0.010 0.000 0.713 782 K HN 0.561 nan 8.250 nan 0.000 0.443 783 R N 0.018 120.522 120.500 0.006 0.000 2.316 783 R HA -0.010 4.331 4.340 0.001 0.000 0.202 783 R C 1.321 177.642 176.300 0.035 0.000 1.029 783 R CA 0.743 56.850 56.100 0.013 0.000 1.018 783 R CB 0.029 30.319 30.300 -0.016 0.000 0.888 783 R HN 0.074 nan 8.270 nan 0.000 0.471 784 V N 1.482 121.426 119.914 0.050 0.000 3.621 784 V HA -0.036 4.085 4.120 0.001 0.000 0.285 784 V C 1.519 177.756 176.094 0.238 0.000 1.346 784 V CA 0.362 62.723 62.300 0.102 0.000 1.104 784 V CB -0.137 31.691 31.823 0.009 0.000 0.913 784 V HN 0.322 nan 8.190 nan 0.000 0.432 785 N N 1.256 120.061 118.700 0.175 0.000 2.036 785 N HA -0.277 4.464 4.740 0.001 0.000 0.195 785 N C 1.837 177.463 175.510 0.193 0.000 1.037 785 N CA 2.391 55.541 53.050 0.168 0.000 0.855 785 N CB -0.236 38.324 38.487 0.120 0.000 1.033 785 N HN 0.659 nan 8.380 nan 0.000 0.423 786 H N -1.489 117.660 119.070 0.133 0.000 2.319 786 H HA -0.173 4.384 4.556 0.001 0.000 0.297 786 H C 1.872 177.287 175.328 0.146 0.000 1.097 786 H CA 2.471 58.593 56.048 0.124 0.000 1.285 786 H CB -0.677 29.149 29.762 0.106 0.000 1.368 786 H HN 0.531 nan 8.280 nan 0.000 0.495 787 W N 0.427 121.759 121.300 0.054 0.000 2.338 787 W HA -0.239 4.421 4.660 0.001 0.000 0.304 787 W C 2.098 178.591 176.519 -0.045 0.000 1.212 787 W CA 1.659 59.001 57.345 -0.005 0.000 1.264 787 W CB -0.584 28.889 29.460 0.022 0.000 1.142 787 W HN 0.368 nan 8.180 nan 0.000 0.512 788 L N 0.861 122.093 121.223 0.015 0.000 2.056 788 L HA -0.182 4.159 4.340 0.001 0.000 0.207 788 L C 2.241 178.953 176.870 -0.262 0.000 1.078 788 L CA 1.859 56.562 54.840 -0.229 0.000 0.749 788 L CB -1.168 40.950 42.059 0.099 0.000 0.901 788 L HN 0.008 nan 8.230 nan 0.000 0.433 789 I N -0.657 119.830 120.570 -0.138 0.000 2.179 789 I HA -0.309 3.861 4.170 0.001 0.000 0.242 789 I C 2.726 178.814 176.117 -0.049 0.000 1.088 789 I CA 1.240 62.490 61.300 -0.082 0.000 1.357 789 I CB -1.984 36.010 38.000 -0.009 0.000 1.051 789 I HN 0.346 nan 8.210 nan 0.000 0.409 790 C N 0.525 119.712 119.300 -0.187 0.000 2.413 790 C HA -0.139 4.321 4.460 0.001 0.000 0.276 790 C C 3.156 178.046 174.990 -0.168 0.000 1.248 790 C CA 1.213 60.140 59.018 -0.152 0.000 1.742 790 C CB -1.140 26.436 27.740 -0.273 0.000 2.017 790 C HN 0.518 nan 8.230 nan 0.000 0.481 791 S N 0.007 115.449 115.700 -0.431 0.000 2.370 791 S HA -0.177 4.293 4.470 0.001 0.000 0.226 791 S C 2.018 176.475 174.600 -0.239 0.000 1.033 791 S CA 1.205 59.126 58.200 -0.465 0.000 1.011 791 S CB -0.342 62.334 63.200 -0.873 0.000 0.852 791 S HN 0.587 nan 8.310 nan 0.000 0.457 792 R N -0.428 119.947 120.500 -0.209 0.000 2.073 792 R HA -0.109 4.231 4.340 0.001 0.000 0.234 792 R C 2.155 178.405 176.300 -0.082 0.000 1.134 792 R CA 1.578 57.584 56.100 -0.156 0.000 0.952 792 R CB -0.308 29.876 30.300 -0.195 0.000 0.850 792 R HN 0.461 nan 8.270 nan 0.000 0.433 793 W N 1.238 122.471 121.300 -0.112 0.000 2.311 793 W HA -0.245 4.416 4.660 0.001 0.000 0.326 793 W C 2.403 178.915 176.519 -0.011 0.000 1.239 793 W CA 1.387 58.693 57.345 -0.065 0.000 1.258 793 W CB -0.134 29.280 29.460 -0.076 0.000 1.165 793 W HN 0.056 nan 8.180 nan 0.000 0.466 794 K N 0.162 120.737 120.400 0.292 0.000 2.103 794 K HA -0.261 4.060 4.320 0.001 0.000 0.207 794 K C 1.884 178.680 176.600 0.328 0.000 1.048 794 K CA 1.757 58.256 56.287 0.353 0.000 0.930 794 K CB -0.447 32.199 32.500 0.244 0.000 0.716 794 K HN 0.115 nan 8.250 nan 0.000 0.444 795 K N 1.350 121.823 120.400 0.122 0.000 2.074 795 K HA -0.182 4.139 4.320 0.001 0.000 0.209 795 K C 2.036 178.702 176.600 0.109 0.000 1.048 795 K CA 1.894 58.224 56.287 0.072 0.000 0.926 795 K CB -0.046 32.441 32.500 -0.021 0.000 0.713 795 K HN 0.161 nan 8.250 nan 0.000 0.444 796 V N -1.805 118.160 119.914 0.085 0.000 2.535 796 V HA -0.092 4.029 4.120 0.001 0.000 0.246 796 V C 2.042 178.192 176.094 0.094 0.000 1.045 796 V CA 0.983 63.316 62.300 0.055 0.000 1.058 796 V CB -0.601 31.207 31.823 -0.025 0.000 0.689 796 V HN 0.291 nan 8.190 nan 0.000 0.461 797 Q N -0.445 119.446 119.800 0.152 0.000 2.050 797 Q HA -0.166 4.175 4.340 0.001 0.000 0.202 797 Q C 1.947 177.933 176.000 -0.022 0.000 0.980 797 Q CA 2.544 58.388 55.803 0.069 0.000 0.840 797 Q CB -0.298 28.477 28.738 0.062 0.000 0.898 797 Q HN 0.800 nan 8.270 nan 0.000 0.424 798 W N -0.668 120.642 121.300 0.017 0.000 2.519 798 W HA -0.101 4.559 4.660 0.001 0.000 0.266 798 W C 2.362 178.879 176.519 -0.004 0.000 1.253 798 W CA 0.160 57.505 57.345 0.001 0.000 1.274 798 W CB -0.475 28.980 29.460 -0.009 0.000 1.114 798 W HN 0.287 nan 8.180 nan 0.000 0.596 799 C N 0.340 119.751 119.300 0.186 0.000 2.457 799 C HA -0.136 4.325 4.460 0.001 0.000 0.278 799 C C 3.006 178.029 174.990 0.054 0.000 1.309 799 C CA 1.866 60.946 59.018 0.102 0.000 1.735 799 C CB -1.349 26.431 27.740 0.067 0.000 1.992 799 C HN 0.356 nan 8.230 nan 0.000 0.493 800 S N 0.689 116.406 115.700 0.029 0.000 2.406 800 S HA -0.134 4.336 4.470 0.001 0.000 0.228 800 S C 1.777 176.363 174.600 -0.022 0.000 1.020 800 S CA 1.315 59.515 58.200 -0.001 0.000 0.965 800 S CB -0.785 62.410 63.200 -0.009 0.000 0.798 800 S HN 0.540 nan 8.310 nan 0.000 0.488 801 L N 2.314 123.506 121.223 -0.052 0.000 2.083 801 L HA 0.011 4.351 4.340 0.001 0.000 0.209 801 L C 2.356 179.220 176.870 -0.011 0.000 1.083 801 L CA 1.714 56.508 54.840 -0.077 0.000 0.752 801 L CB -1.133 40.807 42.059 -0.198 0.000 0.899 801 L HN 0.300 nan 8.230 nan 0.000 0.433 802 S N -1.297 114.426 115.700 0.039 0.000 2.368 802 S HA -0.133 4.338 4.470 0.001 0.000 0.225 802 S C 1.922 176.535 174.600 0.022 0.000 1.030 802 S CA 1.375 59.605 58.200 0.049 0.000 0.999 802 S CB -0.331 62.910 63.200 0.070 0.000 0.844 802 S HN 0.349 nan 8.310 nan 0.000 0.459 803 V N 1.611 121.534 119.914 0.015 0.000 2.548 803 V HA -0.077 4.043 4.120 0.001 0.000 0.249 803 V C 1.936 178.030 176.094 0.000 0.000 1.055 803 V CA 1.205 63.509 62.300 0.008 0.000 1.065 803 V CB -0.564 31.262 31.823 0.006 0.000 0.681 803 V HN 0.420 nan 8.190 nan 0.000 0.462 804 I N -0.288 120.278 120.570 -0.007 0.000 2.252 804 I HA -0.228 3.942 4.170 0.001 0.000 0.245 804 I C 2.454 178.565 176.117 -0.010 0.000 1.102 804 I CA 1.578 62.870 61.300 -0.013 0.000 1.385 804 I CB -0.294 37.690 38.000 -0.026 0.000 1.064 804 I HN 0.218 nan 8.210 nan 0.000 0.414 805 K N 0.548 120.941 120.400 -0.011 0.000 2.097 805 K HA -0.103 4.217 4.320 0.001 0.000 0.206 805 K C 2.043 178.635 176.600 -0.013 0.000 1.049 805 K CA 1.194 57.472 56.287 -0.015 0.000 0.933 805 K CB -0.158 32.336 32.500 -0.011 0.000 0.717 805 K HN 0.269 nan 8.250 nan 0.000 0.442 806 L N 1.249 122.470 121.223 -0.003 0.000 2.056 806 L HA -0.170 4.171 4.340 0.001 0.000 0.207 806 L C 2.656 179.529 176.870 0.006 0.000 1.078 806 L CA 1.190 56.031 54.840 0.000 0.000 0.749 806 L CB -0.471 41.591 42.059 0.005 0.000 0.901 806 L HN 0.195 nan 8.230 nan 0.000 0.433 807 K N 0.537 120.940 120.400 0.006 0.000 2.009 807 K HA -0.220 4.100 4.320 0.001 0.000 0.210 807 K C 1.851 178.463 176.600 0.019 0.000 1.049 807 K CA 1.866 58.160 56.287 0.011 0.000 0.929 807 K CB -0.105 32.399 32.500 0.007 0.000 0.714 807 K HN 0.261 nan 8.250 nan 0.000 0.440 808 N N 1.201 119.910 118.700 0.016 0.000 2.289 808 N HA -0.146 4.595 4.740 0.001 0.000 0.184 808 N C 1.611 177.154 175.510 0.054 0.000 1.016 808 N CA 1.001 54.070 53.050 0.032 0.000 0.872 808 N CB -0.167 38.330 38.487 0.017 0.000 0.973 808 N HN 0.187 nan 8.380 nan 0.000 0.433 809 K N 1.162 121.575 120.400 0.022 0.000 2.148 809 K HA 0.131 4.451 4.320 0.001 0.000 0.204 809 K C 1.779 178.430 176.600 0.086 0.000 1.050 809 K CA 0.678 56.980 56.287 0.024 0.000 0.942 809 K CB -0.233 32.255 32.500 -0.020 0.000 0.724 809 K HN 0.163 nan 8.250 nan 0.000 0.446 810 I N 0.013 120.619 120.570 0.060 0.000 2.500 810 I HA -0.184 3.986 4.170 0.001 0.000 0.252 810 I C 1.731 177.888 176.117 0.065 0.000 1.142 810 I CA 0.850 62.182 61.300 0.055 0.000 1.451 810 I CB 0.010 38.030 38.000 0.033 0.000 1.093 810 I HN 0.125 nan 8.210 nan 0.000 0.430 811 K N -0.044 120.400 120.400 0.074 0.000 2.062 811 K HA -0.197 4.124 4.320 0.001 0.000 0.205 811 K C 2.051 178.713 176.600 0.103 0.000 1.051 811 K CA 1.318 57.648 56.287 0.072 0.000 0.941 811 K CB -0.254 32.283 32.500 0.062 0.000 0.719 811 K HN 0.183 nan 8.250 nan 0.000 0.440 812 Y N 1.534 121.834 120.300 -0.001 0.000 2.274 812 Y HA -0.184 4.366 4.550 0.001 0.000 0.290 812 Y C 1.625 177.525 175.900 -0.000 0.000 1.145 812 Y CA 1.457 59.557 58.100 -0.000 0.000 1.203 812 Y CB 0.238 38.698 38.460 0.000 0.000 0.984 812 Y HN -0.074 nan 8.280 nan 0.000 0.533 813 R N -0.350 120.251 120.500 0.168 0.000 2.297 813 R HA 0.266 4.607 4.340 0.001 0.000 0.197 813 R C 0.536 176.854 176.300 0.029 0.000 0.943 813 R CA 0.315 56.472 56.100 0.096 0.000 1.038 813 R CB 0.206 30.564 30.300 0.097 0.000 0.957 813 R HN 0.168 nan 8.270 nan 0.000 0.484 814 A N 0.000 122.831 122.820 0.018 0.000 2.254 814 A HA 0.000 4.321 4.320 0.001 0.000 0.244 814 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 814 A CB 0.000 19.005 19.000 0.009 0.000 0.831 814 A HN 0.000 nan 8.150 nan 0.000 0.486