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 3gpb_1_A DATA FIRST_RESID 10 DATA SEQUENCE RKQISVRGLA GVENVTELKK NFNRHLHFTL VKDRNVATPR DYYFALAHTV DATA SEQUENCE RDHLVGRWIR TQQHYYEKDP KRIYYLSLEF YMGRTLQNTM VNLALENACD DATA SEQUENCE EATYQLGLDM EELEEIEEDA GLGNGGLGRL AACFLDSMAT LGLAAYGYGI DATA SEQUENCE RYEFGIFNQK ICGGWQMEEA DDWLRYGNPW EKARPEFTLP VHFYGRVEHT DATA SEQUENCE SQGAKWVDTQ VVLAMPYDTP VPGYRNNVVN TMRLWSAKAP NDFNLKDFNV DATA SEQUENCE GGYIQAVLDR NLAENISRVL YPNDNFFEGK ELRLKQEYFV VAATLQDIIR DATA SEQUENCE RFKSSKFGCR DPVRTNFDAF PDKVAIQLND THPSLAIPEL MRVLVDLERL DATA SEQUENCE DWDKAWEVTV KTCAYTNHTV IPEALERWPV HLLETLLPRH LQIIYEINQR DATA SEQUENCE FLNRVAAAFP GDVDRLRRMS LVEEGAVKRI NMAHLCIAGS HAVNGVARIH DATA SEQUENCE SEILKKTIFK DFYELEPHKF QNKTNGITPR RWLVLCNPGL AEIIAERIGE DATA SEQUENCE EYISDLDQLR KLLSYVDDEA FIRDVAKVKQ ENKLKFAAYL EREYKVHINP DATA SEQUENCE NSLFDVQVKR IHEYKRQLLN CLHVITLYNR IKKEPNKFVV PRTVMIGGKA DATA SEQUENCE APGYHMAKMI IKLITAIGDV VNHDPVVGDR LRVIFLENYR VSLAEKVIPA DATA SEQUENCE ADLSEQISTA GTEASGTGNM KFMLNGALTI GTMDGANVEM AEEAGEENFF DATA SEQUENCE IFGMRVEDVD RLDQRGYNAQ EYYDRIPELR QIIEQLSSGF FSPKQPDLFK DATA SEQUENCE DIVNMLMHHD RFKVFADYEE YVKCQERVSA LYKNPREWTR MVIRNIATSG DATA SEQUENCE KFSSDRTIAQ YAREIWGVEP SRQRLPAPDE KIP 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 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.300 176.300 -0.000 0.000 0.893 10 R CA 0.000 56.107 56.100 0.012 0.000 0.921 10 R CB 0.000 30.312 30.300 0.020 0.000 0.687 11 K N 1.080 121.476 120.400 -0.007 0.000 2.288 11 K HA 0.064 4.377 4.320 -0.011 0.000 0.201 11 K C 0.357 176.936 176.600 -0.034 0.000 1.048 11 K CA 0.959 57.233 56.287 -0.022 0.000 0.956 11 K CB 0.011 32.500 32.500 -0.020 0.000 0.746 11 K HN 0.191 nan 8.250 nan 0.000 0.461 12 Q N -1.235 118.553 119.800 -0.021 0.000 1.347 12 Q HA -0.250 4.084 4.340 -0.011 0.000 0.291 12 Q C 0.548 176.535 176.000 -0.023 0.000 0.926 12 Q CA 1.654 57.444 55.803 -0.021 0.000 0.879 12 Q CB -1.691 27.028 28.738 -0.032 0.000 3.245 12 Q HN 0.471 nan 8.270 nan 0.000 0.503 13 I N -1.083 119.467 120.570 -0.033 0.000 6.224 13 I HA -0.242 3.922 4.170 -0.011 0.000 0.126 13 I C 0.456 176.566 176.117 -0.013 0.000 1.640 13 I CA 1.237 62.520 61.300 -0.028 0.000 2.446 13 I CB -2.597 35.380 38.000 -0.037 0.000 3.098 13 I HN 0.547 nan 8.210 nan 0.000 0.277 14 S N -0.812 114.886 115.700 -0.003 0.000 2.625 14 S HA 0.675 5.139 4.470 -0.011 0.000 0.262 14 S C 0.517 175.122 174.600 0.008 0.000 1.223 14 S CA -0.344 57.862 58.200 0.009 0.000 0.993 14 S CB 1.037 64.248 63.200 0.020 0.000 1.051 14 S HN 0.448 nan 8.310 nan 0.000 0.562 15 V N 2.180 122.104 119.914 0.017 0.000 2.162 15 V HA 0.233 4.346 4.120 -0.011 0.000 0.255 15 V C 0.881 176.985 176.094 0.016 0.000 1.304 15 V CA -0.258 62.050 62.300 0.013 0.000 1.198 15 V CB -0.998 30.836 31.823 0.018 0.000 1.333 15 V HN 0.678 nan 8.190 nan 0.000 0.493 16 R N 2.805 123.308 120.500 0.006 0.000 2.568 16 R HA 0.436 4.770 4.340 -0.011 0.000 0.288 16 R C 1.060 177.353 176.300 -0.013 0.000 1.077 16 R CA 0.429 56.529 56.100 0.001 0.000 1.102 16 R CB 0.463 30.760 30.300 -0.005 0.000 1.278 16 R HN 0.795 nan 8.270 nan 0.000 0.560 17 G N 1.168 109.960 108.800 -0.013 0.000 2.660 17 G HA2 -0.266 3.687 3.960 -0.011 0.000 0.215 17 G HA3 -0.266 3.687 3.960 -0.011 0.000 0.215 17 G C -0.668 174.218 174.900 -0.023 0.000 1.345 17 G CA -0.922 44.163 45.100 -0.025 0.000 0.877 17 G HN 0.186 nan 8.290 nan 0.000 0.549 18 L N 0.798 122.005 121.223 -0.026 0.000 2.265 18 L HA 0.597 4.931 4.340 -0.011 0.000 0.288 18 L C 1.075 177.932 176.870 -0.022 0.000 1.058 18 L CA -0.153 54.675 54.840 -0.021 0.000 0.809 18 L CB 1.536 43.583 42.059 -0.019 0.000 1.179 18 L HN 1.068 nan 8.230 nan 0.000 0.429 19 A N 3.513 126.322 122.820 -0.018 0.000 2.910 19 A HA 0.548 4.862 4.320 -0.011 0.000 0.316 19 A C 0.480 178.059 177.584 -0.009 0.000 1.493 19 A CA -0.287 51.740 52.037 -0.016 0.000 1.150 19 A CB -0.290 18.700 19.000 -0.018 0.000 1.159 19 A HN 0.757 nan 8.150 nan 0.000 0.526 20 G N 0.949 109.745 108.800 -0.006 0.000 2.468 20 G HA2 0.448 4.402 3.960 -0.011 0.000 0.320 20 G HA3 0.448 4.402 3.960 -0.011 0.000 0.320 20 G C 0.784 175.689 174.900 0.008 0.000 1.137 20 G CA 0.098 45.199 45.100 0.001 0.000 0.984 20 G HN 0.699 nan 8.290 nan 0.000 0.462 21 V N 2.753 122.673 119.914 0.010 0.000 1.413 21 V HA -0.462 3.652 4.120 -0.011 0.000 0.120 21 V C 2.690 178.796 176.094 0.020 0.000 1.117 21 V CA 2.934 65.243 62.300 0.014 0.000 2.647 21 V CB -1.200 30.630 31.823 0.012 0.000 0.775 21 V HN 0.747 nan 8.190 nan 0.000 0.416 22 E N -0.382 119.831 120.200 0.022 0.000 2.097 22 E HA -0.194 4.150 4.350 -0.011 0.000 0.196 22 E C 1.866 178.491 176.600 0.041 0.000 1.000 22 E CA 1.726 58.144 56.400 0.030 0.000 0.804 22 E CB -0.319 29.398 29.700 0.027 0.000 0.740 22 E HN 0.710 nan 8.360 nan 0.000 0.454 23 N N -0.749 117.975 118.700 0.039 0.000 2.216 23 N HA -0.086 4.648 4.740 -0.011 0.000 0.183 23 N C 1.587 177.124 175.510 0.045 0.000 1.017 23 N CA 0.702 53.782 53.050 0.050 0.000 0.861 23 N CB -0.083 38.422 38.487 0.030 0.000 0.986 23 N HN 0.007 nan 8.380 nan 0.000 0.428 24 V N 0.126 120.056 119.914 0.028 0.000 2.515 24 V HA -0.166 3.947 4.120 -0.011 0.000 0.250 24 V C 2.183 178.299 176.094 0.036 0.000 1.058 24 V CA 1.549 63.863 62.300 0.022 0.000 1.064 24 V CB -0.748 31.082 31.823 0.013 0.000 0.675 24 V HN 0.332 nan 8.190 nan 0.000 0.461 25 T N -0.739 113.840 114.554 0.041 0.000 2.643 25 T HA -0.202 4.141 4.350 -0.011 0.000 0.264 25 T C 2.012 176.753 174.700 0.069 0.000 1.045 25 T CA 1.592 63.720 62.100 0.047 0.000 1.155 25 T CB -0.243 68.649 68.868 0.039 0.000 0.863 25 T HN 0.400 nan 8.240 nan 0.000 0.420 26 E N 0.455 120.703 120.200 0.080 0.000 2.097 26 E HA -0.124 4.220 4.350 -0.011 0.000 0.196 26 E C 2.209 178.899 176.600 0.150 0.000 1.000 26 E CA 1.003 57.468 56.400 0.109 0.000 0.804 26 E CB -0.306 29.465 29.700 0.120 0.000 0.740 26 E HN 0.240 nan 8.360 nan 0.000 0.454 27 L N 1.383 122.693 121.223 0.144 0.000 2.005 27 L HA -0.162 4.172 4.340 -0.011 0.000 0.207 27 L C 2.287 179.262 176.870 0.174 0.000 1.072 27 L CA 1.735 56.674 54.840 0.165 0.000 0.744 27 L CB -0.683 41.427 42.059 0.085 0.000 0.895 27 L HN 0.025 nan 8.230 nan 0.000 0.433 28 K N -0.671 119.793 120.400 0.107 0.000 2.103 28 K HA -0.237 4.076 4.320 -0.011 0.000 0.207 28 K C 2.137 178.855 176.600 0.197 0.000 1.048 28 K CA 1.286 57.633 56.287 0.099 0.000 0.930 28 K CB -0.151 32.368 32.500 0.031 0.000 0.716 28 K HN 0.250 nan 8.250 nan 0.000 0.444 29 K N 1.069 121.566 120.400 0.161 0.000 2.002 29 K HA -0.114 4.199 4.320 -0.011 0.000 0.209 29 K C 1.773 178.495 176.600 0.202 0.000 1.048 29 K CA 1.344 57.725 56.287 0.156 0.000 0.930 29 K CB 0.029 32.597 32.500 0.114 0.000 0.714 29 K HN 0.110 nan 8.250 nan 0.000 0.438 30 N N 0.122 118.959 118.700 0.228 0.000 2.396 30 N HA -0.139 4.595 4.740 -0.011 0.000 0.180 30 N C 1.580 177.325 175.510 0.393 0.000 1.028 30 N CA 0.719 53.931 53.050 0.269 0.000 0.893 30 N CB -0.142 38.515 38.487 0.284 0.000 0.967 30 N HN 0.184 nan 8.380 nan 0.000 0.440 31 F N 2.496 122.579 119.950 0.222 0.000 2.084 31 F HA -0.006 4.515 4.527 -0.010 0.000 0.296 31 F C 1.939 177.865 175.800 0.210 0.000 1.111 31 F CA 1.154 59.282 58.000 0.215 0.000 1.224 31 F CB -0.320 38.771 39.000 0.153 0.000 0.991 31 F HN -0.100 nan 8.300 nan 0.000 0.471 32 N N 0.594 119.553 118.700 0.431 0.000 2.289 32 N HA -0.170 4.563 4.740 -0.011 0.000 0.184 32 N C 2.041 177.647 175.510 0.160 0.000 1.016 32 N CA 0.902 54.111 53.050 0.264 0.000 0.872 32 N CB -0.459 38.177 38.487 0.249 0.000 0.973 32 N HN 0.399 nan 8.380 nan 0.000 0.433 33 R N -0.104 120.512 120.500 0.193 0.000 2.062 33 R HA -0.044 4.290 4.340 -0.011 0.000 0.229 33 R C 1.580 177.968 176.300 0.148 0.000 1.128 33 R CA 1.167 57.409 56.100 0.237 0.000 0.960 33 R CB -0.117 30.270 30.300 0.146 0.000 0.855 33 R HN 0.323 nan 8.270 nan 0.000 0.432 34 H N -0.088 119.023 119.070 0.069 0.000 2.423 34 H HA -0.108 4.442 4.556 -0.010 0.000 0.297 34 H C 1.727 176.984 175.328 -0.120 0.000 1.075 34 H CA 1.390 57.413 56.048 -0.041 0.000 1.342 34 H CB 0.085 29.795 29.762 -0.088 0.000 1.395 34 H HN 0.111 nan 8.280 nan 0.000 0.530 35 L N -0.273 120.917 121.223 -0.055 0.000 2.046 35 L HA -0.165 4.168 4.340 -0.011 0.000 0.208 35 L C 2.240 179.063 176.870 -0.079 0.000 1.077 35 L CA 1.774 56.531 54.840 -0.139 0.000 0.747 35 L CB -0.360 41.575 42.059 -0.206 0.000 0.896 35 L HN 0.285 nan 8.230 nan 0.000 0.432 36 H N -1.495 117.460 119.070 -0.191 0.000 2.266 36 H HA -0.052 4.497 4.556 -0.011 0.000 0.308 36 H C 1.869 176.962 175.328 -0.391 0.000 1.057 36 H CA 2.212 58.052 56.048 -0.347 0.000 1.330 36 H CB -0.446 29.007 29.762 -0.515 0.000 1.400 36 H HN 0.268 nan 8.280 nan 0.000 0.503 37 F N -0.065 119.811 119.950 -0.124 0.000 2.146 37 F HA -0.085 4.435 4.527 -0.011 0.000 0.298 37 F C 2.657 178.336 175.800 -0.201 0.000 1.096 37 F CA 1.661 59.532 58.000 -0.215 0.000 1.275 37 F CB -0.600 38.297 39.000 -0.170 0.000 1.008 37 F HN 0.203 nan 8.300 nan 0.000 0.480 38 T N -0.226 114.308 114.554 -0.034 0.000 2.901 38 T HA 0.049 4.393 4.350 -0.011 0.000 0.252 38 T C 1.975 176.578 174.700 -0.162 0.000 1.035 38 T CA 0.566 62.591 62.100 -0.125 0.000 1.142 38 T CB -0.141 68.611 68.868 -0.193 0.000 0.869 38 T HN -0.010 nan 8.240 nan 0.000 0.442 39 L N 1.195 122.324 121.223 -0.156 0.000 2.341 39 L HA 0.183 4.517 4.340 -0.011 0.000 0.214 39 L C 0.865 177.643 176.870 -0.154 0.000 1.115 39 L CA 0.643 55.383 54.840 -0.165 0.000 0.820 39 L CB -0.865 41.098 42.059 -0.160 0.000 0.944 39 L HN 0.104 nan 8.230 nan 0.000 0.452 40 V N 0.650 120.463 119.914 -0.169 0.000 5.820 40 V HA -0.293 3.821 4.120 -0.011 0.000 0.300 40 V C 0.199 176.211 176.094 -0.136 0.000 0.585 40 V CA 0.969 63.158 62.300 -0.186 0.000 0.629 40 V CB -1.898 29.830 31.823 -0.158 0.000 0.291 40 V HN 0.396 nan 8.190 nan 0.000 0.887 41 K N 0.470 120.797 120.400 -0.122 0.000 2.435 41 K HA 0.724 5.038 4.320 -0.011 0.000 0.251 41 K C -0.578 175.987 176.600 -0.059 0.000 0.954 41 K CA -0.595 55.632 56.287 -0.100 0.000 0.820 41 K CB 2.246 34.661 32.500 -0.142 0.000 1.292 41 K HN 0.462 nan 8.250 nan 0.000 0.436 42 D N -0.103 120.268 120.400 -0.050 0.000 2.350 42 D HA 0.325 4.959 4.640 -0.011 0.000 0.238 42 D C 0.388 176.674 176.300 -0.023 0.000 0.989 42 D CA -0.542 53.446 54.000 -0.021 0.000 0.921 42 D CB 1.184 41.977 40.800 -0.011 0.000 1.297 42 D HN 0.235 nan 8.370 nan 0.000 0.490 43 R N 1.451 121.958 120.500 0.011 0.000 2.211 43 R HA -0.065 4.269 4.340 -0.011 0.000 0.240 43 R C 0.901 177.244 176.300 0.073 0.000 1.144 43 R CA 0.887 57.030 56.100 0.071 0.000 0.992 43 R CB -0.781 29.569 30.300 0.082 0.000 0.869 43 R HN 0.576 nan 8.270 nan 0.000 0.462 44 N N -0.051 118.669 118.700 0.033 0.000 2.405 44 N HA -0.025 4.709 4.740 -0.011 0.000 0.175 44 N C 1.203 176.726 175.510 0.022 0.000 1.051 44 N CA 0.803 53.873 53.050 0.033 0.000 0.899 44 N CB 0.619 39.117 38.487 0.018 0.000 1.000 44 N HN 0.058 nan 8.380 nan 0.000 0.451 45 V N -0.325 119.587 119.914 -0.003 0.000 3.644 45 V HA 0.317 4.431 4.120 -0.011 0.000 0.267 45 V C 1.022 177.087 176.094 -0.049 0.000 1.277 45 V CA -0.175 62.114 62.300 -0.018 0.000 1.096 45 V CB -0.229 31.576 31.823 -0.031 0.000 0.828 45 V HN 0.059 nan 8.190 nan 0.000 0.446 46 A N 1.786 124.545 122.820 -0.103 0.000 2.388 46 A HA 0.595 4.908 4.320 -0.011 0.000 0.257 46 A C 0.667 178.140 177.584 -0.185 0.000 1.095 46 A CA 0.477 52.354 52.037 -0.268 0.000 0.791 46 A CB 0.115 18.742 19.000 -0.621 0.000 1.029 46 A HN 0.549 nan 8.150 nan 0.000 0.489 47 T N -0.297 114.172 114.554 -0.141 0.000 2.937 47 T HA 0.568 4.912 4.350 -0.011 0.000 0.283 47 T C -2.281 172.535 174.700 0.194 0.000 1.012 47 T CA -1.779 60.358 62.100 0.062 0.000 0.997 47 T CB 1.163 70.063 68.868 0.054 0.000 1.136 47 T HN 0.227 nan 8.240 nan 0.000 0.551 48 P HA -0.009 nan 4.420 nan 0.000 0.221 48 P C 1.477 178.953 177.300 0.294 0.000 1.145 48 P CA 0.713 64.030 63.100 0.362 0.000 0.795 48 P CB 0.107 31.930 31.700 0.205 0.000 0.775 49 R N -0.287 120.329 120.500 0.194 0.000 2.075 49 R HA -0.081 4.252 4.340 -0.011 0.000 0.226 49 R C 1.707 178.216 176.300 0.348 0.000 1.114 49 R CA 1.393 57.631 56.100 0.230 0.000 0.972 49 R CB -0.511 29.857 30.300 0.114 0.000 0.869 49 R HN 0.050 nan 8.270 nan 0.000 0.437 50 D N -0.304 120.189 120.400 0.156 0.000 2.104 50 D HA -0.198 4.435 4.640 -0.011 0.000 0.194 50 D C 1.689 178.010 176.300 0.034 0.000 0.994 50 D CA 1.484 55.499 54.000 0.025 0.000 0.830 50 D CB -0.317 40.341 40.800 -0.237 0.000 0.959 50 D HN 0.317 nan 8.370 nan 0.000 0.452 51 Y N -0.113 120.276 120.300 0.149 0.000 2.293 51 Y HA -0.185 4.359 4.550 -0.010 0.000 0.291 51 Y C 2.281 178.302 175.900 0.202 0.000 1.137 51 Y CA 0.478 58.685 58.100 0.178 0.000 1.202 51 Y CB -0.831 37.827 38.460 0.330 0.000 0.990 51 Y HN 0.055 nan 8.280 nan 0.000 0.537 52 Y N -0.168 120.290 120.300 0.263 0.000 2.097 52 Y HA -0.318 4.226 4.550 -0.011 0.000 0.282 52 Y C 1.876 177.775 175.900 -0.001 0.000 1.152 52 Y CA 1.247 59.394 58.100 0.079 0.000 1.136 52 Y CB -1.192 37.212 38.460 -0.093 0.000 0.975 52 Y HN 0.062 nan 8.280 nan 0.000 0.498 53 F N 0.359 120.063 119.950 -0.409 0.000 2.134 53 F HA -0.147 4.374 4.527 -0.010 0.000 0.299 53 F C 2.700 178.344 175.800 -0.260 0.000 1.097 53 F CA 1.541 59.261 58.000 -0.466 0.000 1.264 53 F CB -1.159 37.745 39.000 -0.160 0.000 1.001 53 F HN 0.207 nan 8.300 nan 0.000 0.479 54 A N 0.115 122.897 122.820 -0.063 0.000 1.883 54 A HA -0.192 4.121 4.320 -0.011 0.000 0.217 54 A C 2.315 179.808 177.584 -0.151 0.000 1.186 54 A CA 1.570 53.453 52.037 -0.257 0.000 0.624 54 A CB -1.077 17.421 19.000 -0.836 0.000 0.822 54 A HN 0.394 nan 8.150 nan 0.000 0.444 55 L N -0.877 120.374 121.223 0.047 0.000 2.027 55 L HA -0.180 4.153 4.340 -0.011 0.000 0.206 55 L C 3.008 179.833 176.870 -0.075 0.000 1.074 55 L CA 1.677 56.618 54.840 0.169 0.000 0.745 55 L CB -0.791 41.423 42.059 0.257 0.000 0.898 55 L HN 0.466 nan 8.230 nan 0.000 0.433 56 A N -0.873 121.730 122.820 -0.362 0.000 1.917 56 A HA -0.300 4.014 4.320 -0.011 0.000 0.219 56 A C 1.868 179.051 177.584 -0.669 0.000 1.182 56 A CA 2.012 53.689 52.037 -0.599 0.000 0.633 56 A CB -0.917 17.405 19.000 -1.130 0.000 0.819 56 A HN 0.593 nan 8.150 nan 0.000 0.448 57 H N -1.063 117.706 119.070 -0.502 0.000 2.363 57 H HA -0.045 4.504 4.556 -0.010 0.000 0.301 57 H C 2.383 177.389 175.328 -0.537 0.000 1.074 57 H CA 1.913 57.620 56.048 -0.568 0.000 1.354 57 H CB -0.081 29.239 29.762 -0.736 0.000 1.397 57 H HN 0.469 nan 8.280 nan 0.000 0.516 58 T N -0.173 114.206 114.554 -0.292 0.000 2.746 58 T HA -0.142 4.202 4.350 -0.011 0.000 0.267 58 T C 2.222 177.066 174.700 0.239 0.000 1.039 58 T CA 1.305 63.434 62.100 0.047 0.000 1.142 58 T CB -0.367 68.610 68.868 0.183 0.000 0.866 58 T HN 0.088 nan 8.240 nan 0.000 0.444 59 V N 2.365 122.370 119.914 0.151 0.000 2.358 59 V HA -0.167 3.946 4.120 -0.011 0.000 0.246 59 V C 2.692 178.940 176.094 0.257 0.000 1.047 59 V CA 1.901 64.328 62.300 0.212 0.000 1.035 59 V CB -0.701 31.246 31.823 0.208 0.000 0.658 59 V HN 0.506 nan 8.190 nan 0.000 0.452 60 R N 0.557 121.152 120.500 0.158 0.000 2.105 60 R HA -0.226 4.108 4.340 -0.011 0.000 0.239 60 R C 1.720 178.129 176.300 0.182 0.000 1.135 60 R CA 2.281 58.492 56.100 0.184 0.000 0.967 60 R CB -0.687 29.611 30.300 -0.004 0.000 0.861 60 R HN 0.395 nan 8.270 nan 0.000 0.442 61 D N 0.483 120.977 120.400 0.156 0.000 2.144 61 D HA -0.144 4.490 4.640 -0.011 0.000 0.199 61 D C 1.674 178.004 176.300 0.048 0.000 0.984 61 D CA 1.151 55.220 54.000 0.114 0.000 0.834 61 D CB -0.416 40.444 40.800 0.101 0.000 0.955 61 D HN 0.475 nan 8.370 nan 0.000 0.465 62 H N -0.269 118.863 119.070 0.102 0.000 2.559 62 H HA 0.033 4.583 4.556 -0.010 0.000 0.273 62 H C 2.002 177.375 175.328 0.075 0.000 1.000 62 H CA 0.311 56.407 56.048 0.079 0.000 1.195 62 H CB 0.544 30.343 29.762 0.063 0.000 1.368 62 H HN 0.199 nan 8.280 nan 0.000 0.592 63 L N 0.750 122.083 121.223 0.184 0.000 2.470 63 L HA -0.027 4.307 4.340 -0.011 0.000 0.219 63 L C 2.227 179.215 176.870 0.197 0.000 1.071 63 L CA 0.239 55.167 54.840 0.147 0.000 0.850 63 L CB 0.072 42.204 42.059 0.122 0.000 1.040 63 L HN -0.013 nan 8.230 nan 0.000 0.475 64 V N -1.959 118.090 119.914 0.225 0.000 2.490 64 V HA -0.065 4.049 4.120 -0.011 0.000 0.250 64 V C 2.417 178.617 176.094 0.176 0.000 1.061 64 V CA 1.634 64.101 62.300 0.279 0.000 1.064 64 V CB -2.087 29.857 31.823 0.202 0.000 0.670 64 V HN 0.427 nan 8.190 nan 0.000 0.461 65 G N 1.401 110.264 108.800 0.107 0.000 2.421 65 G HA2 -0.215 3.739 3.960 -0.011 0.000 0.216 65 G HA3 -0.215 3.739 3.960 -0.011 0.000 0.216 65 G C 1.761 176.703 174.900 0.071 0.000 1.171 65 G CA 1.006 46.142 45.100 0.060 0.000 0.775 65 G HN 0.558 nan 8.290 nan 0.000 0.543 66 R N -1.052 119.503 120.500 0.091 0.000 2.090 66 R HA -0.052 4.282 4.340 -0.011 0.000 0.228 66 R C 2.248 178.633 176.300 0.142 0.000 1.110 66 R CA 1.007 57.152 56.100 0.076 0.000 0.973 66 R CB -0.734 29.595 30.300 0.048 0.000 0.869 66 R HN 0.480 nan 8.270 nan 0.000 0.440 67 W N 2.518 123.800 121.300 -0.029 0.000 2.335 67 W HA -0.069 4.585 4.660 -0.010 0.000 0.311 67 W C 1.909 178.401 176.519 -0.044 0.000 1.213 67 W CA 0.559 57.883 57.345 -0.034 0.000 1.274 67 W CB -0.608 28.846 29.460 -0.011 0.000 1.148 67 W HN -0.064 nan 8.180 nan 0.000 0.498 68 I N 0.187 120.780 120.570 0.038 0.000 2.226 68 I HA -0.321 3.843 4.170 -0.011 0.000 0.245 68 I C 2.754 178.846 176.117 -0.041 0.000 1.100 68 I CA 1.250 62.497 61.300 -0.088 0.000 1.374 68 I CB -0.482 37.475 38.000 -0.071 0.000 1.057 68 I HN -0.149 nan 8.210 nan 0.000 0.413 69 R N 0.127 120.625 120.500 -0.003 0.000 2.092 69 R HA -0.100 4.234 4.340 -0.011 0.000 0.231 69 R C 2.218 178.497 176.300 -0.035 0.000 1.119 69 R CA 1.677 57.771 56.100 -0.010 0.000 0.970 69 R CB -0.731 29.563 30.300 -0.011 0.000 0.864 69 R HN 0.361 nan 8.270 nan 0.000 0.440 70 T N 1.193 115.710 114.554 -0.061 0.000 2.809 70 T HA -0.074 4.269 4.350 -0.011 0.000 0.260 70 T C 1.780 176.263 174.700 -0.361 0.000 1.039 70 T CA 0.763 62.733 62.100 -0.216 0.000 1.141 70 T CB -0.003 68.781 68.868 -0.139 0.000 0.869 70 T HN 0.105 nan 8.240 nan 0.000 0.437 71 Q N 1.276 120.996 119.800 -0.133 0.000 2.061 71 Q HA -0.121 4.213 4.340 -0.011 0.000 0.204 71 Q C 2.344 178.337 176.000 -0.011 0.000 0.984 71 Q CA 1.589 57.359 55.803 -0.054 0.000 0.846 71 Q CB -0.731 27.983 28.738 -0.040 0.000 0.902 71 Q HN 0.540 nan 8.270 nan 0.000 0.421 72 Q N -0.238 119.558 119.800 -0.007 0.000 2.124 72 Q HA -0.189 4.144 4.340 -0.011 0.000 0.202 72 Q C 1.940 178.014 176.000 0.123 0.000 0.977 72 Q CA 1.798 57.642 55.803 0.068 0.000 0.850 72 Q CB -0.297 28.466 28.738 0.041 0.000 0.901 72 Q HN 0.559 nan 8.270 nan 0.000 0.429 73 H N -0.905 118.139 119.070 -0.043 0.000 2.319 73 H HA -0.189 4.361 4.556 -0.010 0.000 0.299 73 H C 1.030 176.376 175.328 0.031 0.000 1.092 73 H CA 2.333 58.351 56.048 -0.050 0.000 1.302 73 H CB -0.345 29.322 29.762 -0.158 0.000 1.373 73 H HN 0.396 nan 8.280 nan 0.000 0.497 74 Y N -1.126 119.143 120.300 -0.051 0.000 2.421 74 Y HA -0.143 4.401 4.550 -0.011 0.000 0.292 74 Y C 2.322 178.220 175.900 -0.003 0.000 1.136 74 Y CA 0.815 58.861 58.100 -0.090 0.000 1.255 74 Y CB -1.197 37.304 38.460 0.069 0.000 0.991 74 Y HN 0.350 nan 8.280 nan 0.000 0.552 75 Y N 1.290 121.636 120.300 0.076 0.000 2.145 75 Y HA -0.197 4.347 4.550 -0.011 0.000 0.286 75 Y C 2.163 178.068 175.900 0.009 0.000 1.145 75 Y CA 1.711 59.846 58.100 0.060 0.000 1.148 75 Y CB -0.180 38.310 38.460 0.050 0.000 0.981 75 Y HN -0.004 nan 8.280 nan 0.000 0.507 76 E N 0.372 120.529 120.200 -0.072 0.000 2.007 76 E HA -0.179 4.164 4.350 -0.011 0.000 0.194 76 E C 1.991 178.489 176.600 -0.169 0.000 0.999 76 E CA 1.351 57.661 56.400 -0.150 0.000 0.811 76 E CB -0.274 29.409 29.700 -0.029 0.000 0.762 76 E HN 0.322 nan 8.360 nan 0.000 0.450 77 K N 0.972 121.259 120.400 -0.188 0.000 2.459 77 K HA -0.055 4.259 4.320 -0.011 0.000 0.193 77 K C -0.224 176.324 176.600 -0.087 0.000 1.030 77 K CA 0.195 56.401 56.287 -0.135 0.000 1.026 77 K CB -0.338 32.066 32.500 -0.161 0.000 0.809 77 K HN 0.119 nan 8.250 nan 0.000 0.504 78 D N 1.208 121.563 120.400 -0.074 0.000 2.890 78 D HA -0.122 4.511 4.640 -0.011 0.000 0.226 78 D C -2.274 174.024 176.300 -0.004 0.000 1.207 78 D CA 0.085 54.068 54.000 -0.028 0.000 0.764 78 D CB 0.041 40.795 40.800 -0.078 0.000 0.948 78 D HN 0.177 nan 8.370 nan 0.000 0.404 79 P HA 0.134 nan 4.420 nan 0.000 0.279 79 P C -0.287 176.995 177.300 -0.030 0.000 1.282 79 P CA -0.703 62.380 63.100 -0.028 0.000 0.788 79 P CB 0.623 32.283 31.700 -0.067 0.000 1.139 80 K N 0.631 121.007 120.400 -0.040 0.000 2.350 80 K HA 0.156 4.470 4.320 -0.011 0.000 0.279 80 K C -0.258 176.257 176.600 -0.141 0.000 1.027 80 K CA -0.134 56.120 56.287 -0.055 0.000 0.969 80 K CB 0.276 32.758 32.500 -0.030 0.000 0.954 80 K HN 0.205 nan 8.250 nan 0.000 0.474 81 R N 3.604 123.995 120.500 -0.180 0.000 2.514 81 R HA 0.448 4.782 4.340 -0.011 0.000 0.301 81 R C -0.890 175.099 176.300 -0.519 0.000 0.962 81 R CA -0.481 55.418 56.100 -0.336 0.000 0.882 81 R CB 1.079 31.198 30.300 -0.301 0.000 1.143 81 R HN 0.564 nan 8.270 nan 0.000 0.452 82 I N 3.555 123.769 120.570 -0.593 0.000 2.354 82 I HA 0.298 4.461 4.170 -0.011 0.000 0.292 82 I C -0.834 174.988 176.117 -0.493 0.000 0.989 82 I CA -0.562 60.371 61.300 -0.611 0.000 1.188 82 I CB 0.996 38.514 38.000 -0.803 0.000 1.342 82 I HN 0.451 nan 8.210 nan 0.000 0.457 83 Y N 6.059 126.348 120.300 -0.018 0.000 2.356 83 Y HA 0.292 4.836 4.550 -0.010 0.000 0.334 83 Y C -0.638 175.378 175.900 0.193 0.000 0.958 83 Y CA -0.786 57.419 58.100 0.175 0.000 1.196 83 Y CB 0.862 39.363 38.460 0.069 0.000 1.137 83 Y HN 0.398 nan 8.280 nan 0.000 0.485 84 Y N 4.652 125.142 120.300 0.317 0.000 2.518 84 Y HA 0.457 5.001 4.550 -0.010 0.000 0.344 84 Y C -1.063 175.098 175.900 0.435 0.000 0.982 84 Y CA -1.018 57.265 58.100 0.306 0.000 1.234 84 Y CB 0.247 38.875 38.460 0.281 0.000 1.114 84 Y HN 0.524 nan 8.280 nan 0.000 0.515 85 L N 5.313 126.605 121.223 0.115 0.000 2.325 85 L HA 0.298 4.631 4.340 -0.011 0.000 0.284 85 L C 0.034 176.912 176.870 0.013 0.000 1.089 85 L CA 0.464 55.404 54.840 0.166 0.000 0.836 85 L CB 0.638 42.763 42.059 0.110 0.000 1.184 85 L HN 0.588 nan 8.230 nan 0.000 0.444 86 S N 2.696 118.487 115.700 0.152 0.000 2.549 86 S HA 0.514 4.978 4.470 -0.011 0.000 0.280 86 S C 0.447 175.151 174.600 0.174 0.000 1.109 86 S CA -0.610 57.572 58.200 -0.030 0.000 0.905 86 S CB 1.102 64.034 63.200 -0.446 0.000 1.081 86 S HN 0.473 nan 8.310 nan 0.000 0.477 87 L N 2.799 124.150 121.223 0.215 0.000 2.599 87 L HA 0.430 4.763 4.340 -0.011 0.000 0.230 87 L C 0.398 177.473 176.870 0.342 0.000 1.141 87 L CA 0.970 56.007 54.840 0.328 0.000 0.877 87 L CB -0.188 42.086 42.059 0.358 0.000 1.009 87 L HN 0.664 nan 8.230 nan 0.000 0.447 88 E N -1.534 118.748 120.200 0.136 0.000 2.314 88 E HA 0.429 4.773 4.350 -0.011 0.000 0.272 88 E C -1.444 175.073 176.600 -0.138 0.000 0.884 88 E CA -0.551 55.917 56.400 0.115 0.000 0.753 88 E CB 2.113 31.840 29.700 0.045 0.000 1.213 88 E HN -0.210 nan 8.360 nan 0.000 0.432 89 F N 2.075 122.120 119.950 0.159 0.000 2.745 89 F HA 0.198 4.718 4.527 -0.011 0.000 0.343 89 F C -1.112 174.774 175.800 0.143 0.000 1.196 89 F CA -0.661 57.428 58.000 0.148 0.000 1.021 89 F CB 1.086 40.163 39.000 0.128 0.000 1.297 89 F HN 0.438 nan 8.300 nan 0.000 0.486 90 Y N 5.610 125.977 120.300 0.112 0.000 2.804 90 Y HA 0.292 4.836 4.550 -0.010 0.000 0.330 90 Y C 0.696 176.604 175.900 0.013 0.000 1.092 90 Y CA -1.336 56.781 58.100 0.028 0.000 1.315 90 Y CB 0.578 39.038 38.460 0.001 0.000 1.188 90 Y HN 0.534 nan 8.280 nan 0.000 0.512 91 M N 1.651 121.367 119.600 0.194 0.000 2.349 91 M HA 0.126 4.600 4.480 -0.011 0.000 0.266 91 M C 1.575 177.836 176.300 -0.065 0.000 1.076 91 M CA 1.042 56.363 55.300 0.035 0.000 1.126 91 M CB -1.270 31.332 32.600 0.004 0.000 1.392 91 M HN 0.704 nan 8.290 nan 0.000 0.440 92 G N 1.401 110.175 108.800 -0.045 0.000 2.569 92 G HA2 -0.275 3.679 3.960 -0.011 0.000 0.259 92 G HA3 -0.275 3.679 3.960 -0.011 0.000 0.259 92 G C -0.162 174.680 174.900 -0.096 0.000 1.263 92 G CA -0.264 44.768 45.100 -0.113 0.000 0.928 92 G HN 0.444 nan 8.290 nan 0.000 0.572 93 R N -0.572 119.851 120.500 -0.128 0.000 2.500 93 R HA 0.578 4.911 4.340 -0.011 0.000 0.277 93 R C 0.888 177.071 176.300 -0.195 0.000 1.026 93 R CA 0.102 56.142 56.100 -0.100 0.000 1.058 93 R CB 0.977 31.227 30.300 -0.084 0.000 1.078 93 R HN 0.533 nan 8.270 nan 0.000 0.509 94 T N 1.107 115.501 114.554 -0.266 0.000 2.990 94 T HA -0.013 4.331 4.350 -0.011 0.000 0.250 94 T C 1.482 175.820 174.700 -0.603 0.000 1.041 94 T CA -0.095 61.631 62.100 -0.623 0.000 1.010 94 T CB 0.159 68.274 68.868 -1.255 0.000 1.003 94 T HN 0.294 nan 8.240 nan 0.000 0.499 95 L N 1.685 122.824 121.223 -0.140 0.000 1.988 95 L HA 0.051 4.385 4.340 -0.011 0.000 0.207 95 L C 2.486 179.337 176.870 -0.033 0.000 1.071 95 L CA 1.929 56.815 54.840 0.076 0.000 0.744 95 L CB -0.754 41.523 42.059 0.362 0.000 0.893 95 L HN 0.138 nan 8.230 nan 0.000 0.433 96 Q N -0.486 119.292 119.800 -0.038 0.000 1.975 96 Q HA -0.284 4.050 4.340 -0.011 0.000 0.205 96 Q C 2.254 178.194 176.000 -0.100 0.000 0.990 96 Q CA 2.120 57.890 55.803 -0.054 0.000 0.845 96 Q CB -0.434 28.267 28.738 -0.061 0.000 0.913 96 Q HN 0.659 nan 8.270 nan 0.000 0.420 97 N N -0.884 117.723 118.700 -0.156 0.000 2.096 97 N HA -0.198 4.536 4.740 -0.011 0.000 0.195 97 N C 1.506 176.921 175.510 -0.158 0.000 1.017 97 N CA 2.050 54.998 53.050 -0.169 0.000 0.870 97 N CB -0.074 38.276 38.487 -0.230 0.000 1.024 97 N HN 0.246 nan 8.380 nan 0.000 0.434 98 T N 1.454 115.880 114.554 -0.214 0.000 2.788 98 T HA -0.081 4.263 4.350 -0.011 0.000 0.268 98 T C 2.004 176.648 174.700 -0.093 0.000 1.044 98 T CA 1.424 63.415 62.100 -0.181 0.000 1.139 98 T CB -0.075 68.626 68.868 -0.278 0.000 0.867 98 T HN 0.364 nan 8.240 nan 0.000 0.454 99 M N 0.480 120.040 119.600 -0.066 0.000 2.175 99 M HA -0.021 4.452 4.480 -0.011 0.000 0.264 99 M C 2.390 178.658 176.300 -0.053 0.000 1.063 99 M CA 1.072 56.343 55.300 -0.047 0.000 1.119 99 M CB -0.816 31.768 32.600 -0.026 0.000 1.377 99 M HN 0.067 nan 8.290 nan 0.000 0.415 100 V N 1.587 121.477 119.914 -0.040 0.000 2.244 100 V HA -0.243 3.871 4.120 -0.011 0.000 0.244 100 V C 1.890 177.974 176.094 -0.016 0.000 1.042 100 V CA 2.042 64.346 62.300 0.006 0.000 1.006 100 V CB -0.921 30.921 31.823 0.031 0.000 0.641 100 V HN 0.456 nan 8.190 nan 0.000 0.446 101 N N -0.095 118.591 118.700 -0.024 0.000 2.453 101 N HA -0.078 4.656 4.740 -0.011 0.000 0.183 101 N C 1.175 176.566 175.510 -0.199 0.000 1.041 101 N CA 0.817 53.812 53.050 -0.092 0.000 0.900 101 N CB -0.211 38.256 38.487 -0.033 0.000 0.961 101 N HN 0.291 nan 8.380 nan 0.000 0.443 102 L N -0.632 120.507 121.223 -0.139 0.000 2.554 102 L HA 0.373 4.707 4.340 -0.011 0.000 0.225 102 L C 0.913 177.706 176.870 -0.129 0.000 1.104 102 L CA 0.119 54.887 54.840 -0.119 0.000 0.866 102 L CB -0.375 41.649 42.059 -0.058 0.000 1.047 102 L HN 0.166 nan 8.230 nan 0.000 0.468 103 A N -1.280 121.455 122.820 -0.141 0.000 3.168 103 A HA -0.218 4.096 4.320 -0.011 0.000 0.249 103 A C 1.173 178.707 177.584 -0.083 0.000 1.280 103 A CA 0.918 52.885 52.037 -0.116 0.000 1.128 103 A CB -2.161 16.767 19.000 -0.120 0.000 1.160 103 A HN 0.223 nan 8.150 nan 0.000 0.900 104 L N 0.285 121.456 121.223 -0.086 0.000 2.591 104 L HA 0.167 4.501 4.340 -0.011 0.000 0.228 104 L C 1.983 178.815 176.870 -0.063 0.000 1.133 104 L CA 1.434 56.219 54.840 -0.093 0.000 0.880 104 L CB -0.193 41.788 42.059 -0.130 0.000 1.033 104 L HN 0.530 nan 8.230 nan 0.000 0.450 105 E N -0.217 119.956 120.200 -0.044 0.000 2.038 105 E HA -0.227 4.116 4.350 -0.011 0.000 0.195 105 E C 1.422 178.007 176.600 -0.025 0.000 1.000 105 E CA 1.256 57.640 56.400 -0.027 0.000 0.803 105 E CB 0.104 29.793 29.700 -0.019 0.000 0.750 105 E HN 0.482 nan 8.360 nan 0.000 0.448 106 N N 0.197 118.880 118.700 -0.028 0.000 2.216 106 N HA -0.072 4.662 4.740 -0.011 0.000 0.183 106 N C 1.600 177.093 175.510 -0.028 0.000 1.017 106 N CA 1.085 54.119 53.050 -0.027 0.000 0.861 106 N CB -0.281 38.191 38.487 -0.026 0.000 0.986 106 N HN 0.117 nan 8.380 nan 0.000 0.428 107 A N 0.417 123.216 122.820 -0.034 0.000 1.883 107 A HA -0.165 4.148 4.320 -0.011 0.000 0.217 107 A C 2.544 180.110 177.584 -0.031 0.000 1.186 107 A CA 1.489 53.507 52.037 -0.032 0.000 0.624 107 A CB -1.021 17.951 19.000 -0.046 0.000 0.822 107 A HN 0.460 nan 8.150 nan 0.000 0.444 108 C N -0.793 118.485 119.300 -0.036 0.000 2.448 108 C HA -0.024 4.430 4.460 -0.011 0.000 0.280 108 C C 2.333 177.313 174.990 -0.018 0.000 1.398 108 C CA 0.868 59.871 59.018 -0.025 0.000 1.774 108 C CB -1.119 26.613 27.740 -0.013 0.000 1.888 108 C HN 0.643 nan 8.230 nan 0.000 0.519 109 D N 0.784 121.176 120.400 -0.013 0.000 2.123 109 D HA -0.094 4.539 4.640 -0.011 0.000 0.200 109 D C 2.181 178.487 176.300 0.009 0.000 0.976 109 D CA 1.176 55.173 54.000 -0.005 0.000 0.831 109 D CB -0.158 40.632 40.800 -0.017 0.000 0.974 109 D HN 0.369 nan 8.370 nan 0.000 0.469 110 E N 0.836 121.036 120.200 -0.001 0.000 2.007 110 E HA -0.087 4.256 4.350 -0.011 0.000 0.194 110 E C 1.954 178.574 176.600 0.033 0.000 0.999 110 E CA 1.772 58.185 56.400 0.021 0.000 0.811 110 E CB -0.841 28.860 29.700 0.002 0.000 0.762 110 E HN 0.144 nan 8.360 nan 0.000 0.450 111 A N -0.301 122.513 122.820 -0.009 0.000 1.915 111 A HA -0.308 4.006 4.320 -0.011 0.000 0.220 111 A C 2.550 180.060 177.584 -0.123 0.000 1.198 111 A CA 2.869 54.877 52.037 -0.049 0.000 0.647 111 A CB -1.407 17.564 19.000 -0.048 0.000 0.825 111 A HN 0.433 nan 8.150 nan 0.000 0.456 112 T N -2.318 112.160 114.554 -0.127 0.000 2.737 112 T HA -0.111 4.233 4.350 -0.011 0.000 0.265 112 T C 1.789 176.426 174.700 -0.104 0.000 1.038 112 T CA 1.544 63.529 62.100 -0.192 0.000 1.144 112 T CB -0.374 68.422 68.868 -0.119 0.000 0.866 112 T HN 0.566 nan 8.240 nan 0.000 0.434 113 Y N 1.882 122.109 120.300 -0.122 0.000 2.181 113 Y HA -0.159 4.385 4.550 -0.010 0.000 0.288 113 Y C 2.551 178.395 175.900 -0.095 0.000 1.146 113 Y CA 1.397 59.441 58.100 -0.093 0.000 1.164 113 Y CB -0.350 38.073 38.460 -0.062 0.000 0.982 113 Y HN 0.234 nan 8.280 nan 0.000 0.515 114 Q N -0.878 118.908 119.800 -0.023 0.000 2.135 114 Q HA -0.183 4.151 4.340 -0.011 0.000 0.204 114 Q C 1.647 177.553 176.000 -0.157 0.000 0.981 114 Q CA 1.278 57.028 55.803 -0.089 0.000 0.856 114 Q CB -0.178 28.547 28.738 -0.022 0.000 0.902 114 Q HN 0.360 nan 8.270 nan 0.000 0.425 115 L N -0.954 120.150 121.223 -0.198 0.000 2.610 115 L HA 0.081 4.415 4.340 -0.011 0.000 0.232 115 L C 1.312 178.040 176.870 -0.236 0.000 1.149 115 L CA 1.451 56.158 54.840 -0.222 0.000 0.872 115 L CB -0.673 41.163 42.059 -0.371 0.000 0.992 115 L HN 0.390 nan 8.230 nan 0.000 0.447 116 G N -0.568 108.067 108.800 -0.276 0.000 2.132 116 G HA2 -0.243 3.711 3.960 -0.011 0.000 0.234 116 G HA3 -0.243 3.711 3.960 -0.011 0.000 0.234 116 G C 0.189 174.940 174.900 -0.248 0.000 0.989 116 G CA 0.257 45.182 45.100 -0.292 0.000 0.676 116 G HN 0.310 nan 8.290 nan 0.000 0.522 117 L N -0.232 120.851 121.223 -0.234 0.000 2.313 117 L HA 0.713 5.047 4.340 -0.011 0.000 0.268 117 L C -0.212 176.614 176.870 -0.073 0.000 1.010 117 L CA -1.206 53.518 54.840 -0.193 0.000 0.814 117 L CB 1.472 43.367 42.059 -0.272 0.000 1.304 117 L HN 0.077 nan 8.230 nan 0.000 0.441 118 D N 0.876 121.260 120.400 -0.026 0.000 2.280 118 D HA 0.266 4.899 4.640 -0.011 0.000 0.236 118 D C 0.761 177.077 176.300 0.027 0.000 1.082 118 D CA -0.328 53.688 54.000 0.028 0.000 0.834 118 D CB 1.387 42.209 40.800 0.038 0.000 1.100 118 D HN 0.418 nan 8.370 nan 0.000 0.486 119 M N 2.220 121.840 119.600 0.034 0.000 2.082 119 M HA -0.180 4.294 4.480 -0.011 0.000 0.258 119 M C 1.398 177.730 176.300 0.053 0.000 1.069 119 M CA 1.640 56.968 55.300 0.046 0.000 1.102 119 M CB -0.167 32.456 32.600 0.038 0.000 1.336 119 M HN 0.580 nan 8.290 nan 0.000 0.404 120 E N -0.445 119.780 120.200 0.041 0.000 2.204 120 E HA -0.207 4.136 4.350 -0.011 0.000 0.195 120 E C 1.849 178.473 176.600 0.039 0.000 0.990 120 E CA 0.784 57.207 56.400 0.038 0.000 0.821 120 E CB -0.095 29.627 29.700 0.036 0.000 0.750 120 E HN 0.538 nan 8.360 nan 0.000 0.477 121 E N 0.301 120.526 120.200 0.041 0.000 2.051 121 E HA -0.195 4.149 4.350 -0.011 0.000 0.192 121 E C 1.905 178.533 176.600 0.046 0.000 0.991 121 E CA 0.714 57.137 56.400 0.039 0.000 0.799 121 E CB 0.174 29.896 29.700 0.037 0.000 0.748 121 E HN 0.090 nan 8.360 nan 0.000 0.449 122 L N 1.236 122.507 121.223 0.080 0.000 2.027 122 L HA -0.160 4.174 4.340 -0.011 0.000 0.206 122 L C 2.077 178.994 176.870 0.079 0.000 1.074 122 L CA 1.644 56.566 54.840 0.137 0.000 0.745 122 L CB -0.795 41.397 42.059 0.221 0.000 0.898 122 L HN 0.101 nan 8.230 nan 0.000 0.433 123 E N -0.566 119.672 120.200 0.064 0.000 2.160 123 E HA -0.212 4.132 4.350 -0.011 0.000 0.195 123 E C 1.877 178.426 176.600 -0.086 0.000 0.991 123 E CA 0.919 57.322 56.400 0.005 0.000 0.810 123 E CB -0.058 29.656 29.700 0.023 0.000 0.742 123 E HN 0.405 nan 8.360 nan 0.000 0.466 124 E N 0.341 120.508 120.200 -0.054 0.000 2.409 124 E HA -0.128 4.215 4.350 -0.011 0.000 0.198 124 E C 1.816 178.336 176.600 -0.133 0.000 1.024 124 E CA 0.460 56.824 56.400 -0.060 0.000 0.861 124 E CB 0.081 29.778 29.700 -0.005 0.000 0.788 124 E HN 0.319 nan 8.360 nan 0.000 0.521 125 I N 0.734 121.169 120.570 -0.224 0.000 2.439 125 I HA -0.105 4.059 4.170 -0.011 0.000 0.251 125 I C 1.321 177.101 176.117 -0.561 0.000 1.139 125 I CA 0.344 61.448 61.300 -0.327 0.000 1.438 125 I CB -0.864 36.961 38.000 -0.292 0.000 1.085 125 I HN 0.104 nan 8.210 nan 0.000 0.427 126 E N 2.674 122.390 120.200 -0.808 0.000 2.417 126 E HA -0.047 4.296 4.350 -0.011 0.000 0.261 126 E C -0.015 176.450 176.600 -0.224 0.000 1.000 126 E CA 0.045 56.021 56.400 -0.708 0.000 0.919 126 E CB 0.581 29.956 29.700 -0.543 0.000 0.955 126 E HN 0.246 nan 8.360 nan 0.000 0.455 127 E N 3.158 123.324 120.200 -0.057 0.000 2.373 127 E HA 0.034 4.378 4.350 -0.011 0.000 0.263 127 E C -0.846 175.831 176.600 0.128 0.000 1.073 127 E CA -0.431 56.019 56.400 0.083 0.000 0.894 127 E CB 0.704 30.528 29.700 0.207 0.000 1.008 127 E HN 0.510 nan 8.360 nan 0.000 0.420 128 D N 0.646 121.108 120.400 0.104 0.000 2.382 128 D HA 0.172 4.806 4.640 -0.011 0.000 0.245 128 D C -0.721 175.616 176.300 0.061 0.000 1.120 128 D CA 0.100 54.137 54.000 0.062 0.000 0.890 128 D CB 0.890 41.707 40.800 0.030 0.000 1.201 128 D HN 0.380 nan 8.370 nan 0.000 0.433 129 A N 2.242 125.051 122.820 -0.017 0.000 2.539 129 A HA 0.463 4.777 4.320 -0.011 0.000 0.306 129 A C 1.081 178.499 177.584 -0.278 0.000 1.392 129 A CA -0.433 51.400 52.037 -0.340 0.000 1.060 129 A CB -0.262 18.603 19.000 -0.225 0.000 1.134 129 A HN 0.600 nan 8.150 nan 0.000 0.542 130 G N 2.158 110.720 108.800 -0.396 0.000 3.639 130 G HA2 0.381 4.335 3.960 -0.011 0.000 0.279 130 G HA3 0.381 4.335 3.960 -0.011 0.000 0.279 130 G C 0.396 175.054 174.900 -0.402 0.000 1.312 130 G CA -0.297 44.657 45.100 -0.243 0.000 1.355 130 G HN 0.701 nan 8.290 nan 0.000 0.595 131 L N 1.256 122.286 121.223 -0.321 0.000 2.855 131 L HA 0.337 4.671 4.340 -0.011 0.000 0.245 131 L C 1.075 177.851 176.870 -0.157 0.000 1.276 131 L CA -0.105 54.647 54.840 -0.147 0.000 1.118 131 L CB -0.563 41.515 42.059 0.031 0.000 1.444 131 L HN 0.293 nan 8.230 nan 0.000 0.440 132 G N -1.254 107.212 108.800 -0.558 0.000 2.649 132 G HA2 0.236 4.190 3.960 -0.011 0.000 0.290 132 G HA3 0.236 4.190 3.960 -0.011 0.000 0.290 132 G C -0.177 174.219 174.900 -0.841 0.000 1.426 132 G CA -0.432 44.306 45.100 -0.602 0.000 0.794 132 G HN -0.068 nan 8.290 nan 0.000 0.483 133 N N -1.047 117.402 118.700 -0.419 0.000 2.545 133 N HA 0.237 4.970 4.740 -0.011 0.000 0.190 133 N C 1.064 176.587 175.510 0.022 0.000 1.043 133 N CA 1.081 54.011 53.050 -0.201 0.000 0.879 133 N CB 1.689 40.160 38.487 -0.026 0.000 1.210 133 N HN 0.771 nan 8.380 nan 0.000 0.437 134 G N -0.513 108.376 108.800 0.149 0.000 3.078 134 G HA2 0.256 4.210 3.960 -0.011 0.000 0.131 134 G HA3 0.256 4.210 3.960 -0.011 0.000 0.131 134 G C 0.693 175.728 174.900 0.225 0.000 1.219 134 G CA 0.332 45.596 45.100 0.274 0.000 1.319 134 G HN 0.167 nan 8.290 nan 0.000 0.653 135 G N 0.425 109.295 108.800 0.117 0.000 2.433 135 G HA2 -0.046 3.908 3.960 -0.011 0.000 0.216 135 G HA3 -0.046 3.908 3.960 -0.011 0.000 0.216 135 G C 1.915 176.823 174.900 0.014 0.000 1.186 135 G CA 1.456 46.590 45.100 0.057 0.000 0.779 135 G HN 0.780 nan 8.290 nan 0.000 0.543 136 L N 0.812 122.010 121.223 -0.042 0.000 2.013 136 L HA 0.004 4.338 4.340 -0.011 0.000 0.212 136 L C 2.781 179.578 176.870 -0.123 0.000 1.073 136 L CA 2.408 57.116 54.840 -0.219 0.000 0.753 136 L CB -0.579 41.278 42.059 -0.337 0.000 0.890 136 L HN 0.223 nan 8.230 nan 0.000 0.432 137 G N -1.112 107.682 108.800 -0.010 0.000 2.403 137 G HA2 -0.214 3.740 3.960 -0.011 0.000 0.216 137 G HA3 -0.214 3.740 3.960 -0.011 0.000 0.216 137 G C 1.696 176.672 174.900 0.127 0.000 1.154 137 G CA 0.250 45.373 45.100 0.038 0.000 0.784 137 G HN 0.187 nan 8.290 nan 0.000 0.538 138 R N -0.045 120.562 120.500 0.179 0.000 2.115 138 R HA 0.093 4.427 4.340 -0.011 0.000 0.230 138 R C 2.470 178.773 176.300 0.004 0.000 1.111 138 R CA 0.614 56.772 56.100 0.097 0.000 0.976 138 R CB -0.908 29.411 30.300 0.033 0.000 0.870 138 R HN 0.402 nan 8.270 nan 0.000 0.445 139 L N 0.708 121.873 121.223 -0.098 0.000 1.971 139 L HA -0.177 4.157 4.340 -0.011 0.000 0.215 139 L C 2.270 178.835 176.870 -0.508 0.000 1.072 139 L CA 2.429 57.065 54.840 -0.340 0.000 0.758 139 L CB -0.941 40.919 42.059 -0.332 0.000 0.889 139 L HN 0.198 nan 8.230 nan 0.000 0.433 140 A N -0.610 122.042 122.820 -0.280 0.000 1.903 140 A HA -0.280 4.034 4.320 -0.011 0.000 0.219 140 A C 2.439 180.053 177.584 0.049 0.000 1.191 140 A CA 2.521 54.483 52.037 -0.124 0.000 0.638 140 A CB -1.386 17.477 19.000 -0.229 0.000 0.823 140 A HN 0.639 nan 8.150 nan 0.000 0.451 141 A N -1.489 121.397 122.820 0.110 0.000 1.933 141 A HA -0.158 4.155 4.320 -0.011 0.000 0.218 141 A C 2.299 179.951 177.584 0.113 0.000 1.175 141 A CA 1.750 53.887 52.037 0.168 0.000 0.628 141 A CB -1.138 17.946 19.000 0.139 0.000 0.814 141 A HN 0.630 nan 8.150 nan 0.000 0.444 142 C N -1.722 117.641 119.300 0.105 0.000 2.467 142 C HA 0.077 4.531 4.460 -0.011 0.000 0.279 142 C C 2.336 177.488 174.990 0.270 0.000 1.347 142 C CA 0.128 59.246 59.018 0.167 0.000 1.748 142 C CB -1.500 26.365 27.740 0.210 0.000 1.977 142 C HN 0.610 nan 8.230 nan 0.000 0.501 143 F N 0.783 120.710 119.950 -0.038 0.000 2.171 143 F HA -0.085 4.436 4.527 -0.011 0.000 0.300 143 F C 2.081 177.810 175.800 -0.119 0.000 1.090 143 F CA 0.961 58.880 58.000 -0.135 0.000 1.293 143 F CB -1.330 37.441 39.000 -0.382 0.000 1.013 143 F HN 0.108 nan 8.300 nan 0.000 0.486 144 L N 0.259 121.561 121.223 0.132 0.000 1.994 144 L HA -0.227 4.107 4.340 -0.011 0.000 0.208 144 L C 2.449 179.332 176.870 0.021 0.000 1.071 144 L CA 1.934 56.810 54.840 0.061 0.000 0.745 144 L CB -1.190 40.920 42.059 0.086 0.000 0.892 144 L HN 0.133 nan 8.230 nan 0.000 0.431 145 D N -1.109 119.309 120.400 0.030 0.000 2.106 145 D HA -0.189 4.444 4.640 -0.011 0.000 0.191 145 D C 1.950 178.264 176.300 0.023 0.000 0.997 145 D CA 1.809 55.814 54.000 0.009 0.000 0.834 145 D CB 0.351 41.154 40.800 0.005 0.000 0.956 145 D HN 0.316 nan 8.370 nan 0.000 0.448 146 S N -0.110 115.618 115.700 0.047 0.000 2.383 146 S HA -0.115 4.349 4.470 -0.011 0.000 0.227 146 S C 2.119 176.724 174.600 0.009 0.000 1.026 146 S CA 0.863 59.082 58.200 0.033 0.000 0.981 146 S CB -0.166 63.060 63.200 0.044 0.000 0.818 146 S HN 0.303 nan 8.310 nan 0.000 0.472 147 M N 1.175 120.769 119.600 -0.009 0.000 2.149 147 M HA -0.127 4.347 4.480 -0.011 0.000 0.261 147 M C 2.318 178.609 176.300 -0.016 0.000 1.064 147 M CA 1.586 56.874 55.300 -0.020 0.000 1.102 147 M CB -0.410 32.156 32.600 -0.058 0.000 1.369 147 M HN 0.403 nan 8.290 nan 0.000 0.408 148 A N -1.003 121.808 122.820 -0.015 0.000 1.930 148 A HA -0.078 4.235 4.320 -0.011 0.000 0.215 148 A C 2.130 179.726 177.584 0.020 0.000 1.176 148 A CA 1.669 53.705 52.037 -0.002 0.000 0.632 148 A CB -0.937 18.048 19.000 -0.024 0.000 0.819 148 A HN 0.413 nan 8.150 nan 0.000 0.445 149 T N 0.395 114.966 114.554 0.028 0.000 2.929 149 T HA -0.006 4.337 4.350 -0.011 0.000 0.271 149 T C 1.167 175.895 174.700 0.045 0.000 1.085 149 T CA 1.070 63.201 62.100 0.052 0.000 1.125 149 T CB -0.274 68.632 68.868 0.063 0.000 0.874 149 T HN 0.353 nan 8.240 nan 0.000 0.494 150 L N 0.251 121.495 121.223 0.035 0.000 2.741 150 L HA 0.348 4.682 4.340 -0.011 0.000 0.237 150 L C 1.561 178.456 176.870 0.041 0.000 1.178 150 L CA -0.186 54.676 54.840 0.037 0.000 0.973 150 L CB -0.210 41.869 42.059 0.034 0.000 1.255 150 L HN 0.345 nan 8.230 nan 0.000 0.498 151 G N 1.161 109.990 108.800 0.048 0.000 2.225 151 G HA2 -0.284 3.670 3.960 -0.011 0.000 0.267 151 G HA3 -0.284 3.670 3.960 -0.011 0.000 0.267 151 G C 0.131 175.066 174.900 0.059 0.000 1.024 151 G CA 0.069 45.215 45.100 0.076 0.000 0.784 151 G HN 0.295 nan 8.290 nan 0.000 0.507 152 L N -0.107 121.115 121.223 -0.002 0.000 2.350 152 L HA 0.601 4.934 4.340 -0.011 0.000 0.275 152 L C 1.153 177.863 176.870 -0.266 0.000 1.099 152 L CA -0.319 54.465 54.840 -0.093 0.000 0.808 152 L CB 1.540 43.557 42.059 -0.070 0.000 1.149 152 L HN 0.258 nan 8.230 nan 0.000 0.442 153 A N 3.131 125.648 122.820 -0.506 0.000 2.915 153 A HA 0.592 4.906 4.320 -0.011 0.000 0.292 153 A C 0.212 177.422 177.584 -0.623 0.000 1.632 153 A CA -0.171 51.291 52.037 -0.957 0.000 1.337 153 A CB -0.522 17.793 19.000 -1.141 0.000 1.111 153 A HN 0.719 nan 8.150 nan 0.000 0.569 154 A N 1.986 124.469 122.820 -0.563 0.000 2.365 154 A HA 0.803 5.117 4.320 -0.011 0.000 0.318 154 A C -1.274 176.017 177.584 -0.489 0.000 1.091 154 A CA -0.451 51.325 52.037 -0.435 0.000 0.763 154 A CB 0.907 19.737 19.000 -0.283 0.000 1.248 154 A HN 0.627 nan 8.150 nan 0.000 0.442 155 Y N 0.438 120.711 120.300 -0.046 0.000 2.373 155 Y HA 0.551 5.095 4.550 -0.010 0.000 0.336 155 Y C 0.766 176.794 175.900 0.213 0.000 0.979 155 Y CA -0.702 57.451 58.100 0.088 0.000 1.080 155 Y CB 2.199 40.834 38.460 0.291 0.000 1.190 155 Y HN 0.862 nan 8.280 nan 0.000 0.446 156 G N 1.826 110.737 108.800 0.185 0.000 2.372 156 G HA2 0.443 4.397 3.960 -0.011 0.000 0.283 156 G HA3 0.443 4.397 3.960 -0.011 0.000 0.283 156 G C -1.792 173.115 174.900 0.013 0.000 1.177 156 G CA -0.273 44.987 45.100 0.266 0.000 0.842 156 G HN 0.528 nan 8.290 nan 0.000 0.503 157 Y N 0.723 121.211 120.300 0.312 0.000 2.346 157 Y HA 0.590 5.134 4.550 -0.011 0.000 0.332 157 Y C 0.690 176.827 175.900 0.394 0.000 0.985 157 Y CA 0.097 58.344 58.100 0.245 0.000 1.112 157 Y CB 2.560 41.210 38.460 0.317 0.000 1.170 157 Y HN 0.887 nan 8.280 nan 0.000 0.447 158 G N 2.587 111.621 108.800 0.390 0.000 2.947 158 G HA2 0.621 4.575 3.960 -0.011 0.000 0.293 158 G HA3 0.621 4.575 3.960 -0.011 0.000 0.293 158 G C -1.604 173.512 174.900 0.360 0.000 1.243 158 G CA -0.834 44.566 45.100 0.499 0.000 0.802 158 G HN 0.426 nan 8.290 nan 0.000 0.560 159 I N 0.512 121.199 120.570 0.195 0.000 2.460 159 I HA 0.425 4.588 4.170 -0.011 0.000 0.298 159 I C 0.216 176.240 176.117 -0.155 0.000 0.989 159 I CA -0.725 60.584 61.300 0.015 0.000 1.173 159 I CB 2.125 39.938 38.000 -0.312 0.000 1.338 159 I HN 0.299 nan 8.210 nan 0.000 0.456 160 R N 5.947 126.452 120.500 0.007 0.000 2.593 160 R HA 0.252 4.585 4.340 -0.011 0.000 0.282 160 R C -1.338 175.007 176.300 0.075 0.000 1.300 160 R CA -0.469 55.662 56.100 0.052 0.000 1.221 160 R CB 0.029 30.352 30.300 0.037 0.000 1.157 160 R HN 0.399 nan 8.270 nan 0.000 0.555 161 Y N 1.579 122.036 120.300 0.261 0.000 2.425 161 Y HA -0.016 4.527 4.550 -0.011 0.000 0.331 161 Y C 1.488 177.559 175.900 0.285 0.000 1.157 161 Y CA -0.039 58.203 58.100 0.237 0.000 1.372 161 Y CB 0.863 39.441 38.460 0.196 0.000 1.253 161 Y HN 0.541 nan 8.280 nan 0.000 0.536 162 E N 1.770 122.149 120.200 0.298 0.000 2.046 162 E HA -0.078 4.266 4.350 -0.011 0.000 0.190 162 E C -0.618 175.880 176.600 -0.169 0.000 0.982 162 E CA 0.900 57.272 56.400 -0.048 0.000 0.800 162 E CB 0.069 29.590 29.700 -0.297 0.000 0.756 162 E HN 0.378 nan 8.360 nan 0.000 0.449 163 F N 0.367 120.522 119.950 0.341 0.000 2.411 163 F HA 0.369 4.889 4.527 -0.011 0.000 0.352 163 F C 0.952 176.844 175.800 0.155 0.000 1.123 163 F CA -0.788 57.374 58.000 0.271 0.000 1.044 163 F CB 1.502 40.596 39.000 0.156 0.000 1.135 163 F HN -0.121 nan 8.300 nan 0.000 0.461 164 G N 2.186 111.098 108.800 0.187 0.000 2.546 164 G HA2 0.270 4.223 3.960 -0.011 0.000 0.239 164 G HA3 0.270 4.223 3.960 -0.011 0.000 0.239 164 G C -0.475 174.382 174.900 -0.072 0.000 1.476 164 G CA -0.557 44.491 45.100 -0.088 0.000 1.064 164 G HN 0.543 nan 8.290 nan 0.000 0.561 165 I N 0.864 121.320 120.570 -0.191 0.000 2.648 165 I HA 0.292 4.455 4.170 -0.011 0.000 0.284 165 I C 0.593 176.611 176.117 -0.164 0.000 1.153 165 I CA -1.227 59.943 61.300 -0.217 0.000 1.426 165 I CB -0.074 37.698 38.000 -0.379 0.000 1.381 165 I HN 0.371 nan 8.210 nan 0.000 0.571 166 F N 6.220 126.176 119.950 0.011 0.000 2.650 166 F HA 0.122 4.643 4.527 -0.010 0.000 0.355 166 F C 0.398 176.244 175.800 0.078 0.000 1.163 166 F CA -0.261 57.767 58.000 0.047 0.000 1.374 166 F CB -0.296 38.721 39.000 0.028 0.000 1.065 166 F HN 0.448 nan 8.300 nan 0.000 0.616 167 N N 2.692 121.533 118.700 0.234 0.000 2.422 167 N HA 0.037 4.770 4.740 -0.011 0.000 0.264 167 N C -0.705 175.010 175.510 0.342 0.000 1.063 167 N CA -0.314 52.851 53.050 0.191 0.000 0.959 167 N CB 1.203 39.804 38.487 0.191 0.000 1.087 167 N HN 0.738 nan 8.380 nan 0.000 0.483 168 Q N 2.285 122.266 119.800 0.301 0.000 2.288 168 Q HA 0.183 4.517 4.340 -0.011 0.000 0.254 168 Q C -0.970 175.192 176.000 0.269 0.000 0.932 168 Q CA 0.054 56.088 55.803 0.386 0.000 0.902 168 Q CB 0.789 29.746 28.738 0.364 0.000 1.203 168 Q HN 0.352 nan 8.270 nan 0.000 0.415 169 K N 3.386 123.921 120.400 0.225 0.000 2.422 169 K HA 0.472 4.785 4.320 -0.011 0.000 0.251 169 K C -1.553 175.127 176.600 0.133 0.000 0.933 169 K CA -0.700 55.689 56.287 0.170 0.000 0.798 169 K CB 1.340 33.928 32.500 0.146 0.000 1.238 169 K HN 0.505 nan 8.250 nan 0.000 0.428 170 I N 2.507 123.140 120.570 0.104 0.000 2.412 170 I HA 0.340 4.503 4.170 -0.011 0.000 0.296 170 I C -1.056 175.106 176.117 0.075 0.000 0.987 170 I CA -0.386 60.951 61.300 0.061 0.000 1.180 170 I CB 1.603 39.605 38.000 0.004 0.000 1.340 170 I HN 0.586 nan 8.210 nan 0.000 0.455 171 C N 4.847 124.208 119.300 0.102 0.000 2.442 171 C HA 0.608 5.062 4.460 -0.011 0.000 0.335 171 C C 0.785 175.873 174.990 0.164 0.000 1.134 171 C CA -0.657 58.426 59.018 0.109 0.000 1.344 171 C CB 0.310 28.110 27.740 0.100 0.000 1.956 171 C HN 1.070 nan 8.230 nan 0.000 0.438 172 G N 2.537 111.402 108.800 0.109 0.000 2.273 172 G HA2 0.136 4.090 3.960 -0.011 0.000 0.280 172 G HA3 0.136 4.090 3.960 -0.011 0.000 0.280 172 G C 1.059 175.949 174.900 -0.016 0.000 1.047 172 G CA 0.907 46.073 45.100 0.110 0.000 0.869 172 G HN 2.425 nan 8.290 nan 0.000 0.502 173 G N -2.818 105.926 108.800 -0.093 0.000 2.155 173 G HA2 -0.299 3.655 3.960 -0.011 0.000 0.257 173 G HA3 -0.299 3.655 3.960 -0.011 0.000 0.257 173 G C 0.352 175.025 174.900 -0.378 0.000 0.983 173 G CA 0.767 45.698 45.100 -0.282 0.000 0.676 173 G HN 1.229 nan 8.290 nan 0.000 0.528 174 W N 0.171 121.415 121.300 -0.094 0.000 2.570 174 W HA 0.641 5.295 4.660 -0.010 0.000 0.337 174 W C 0.558 177.026 176.519 -0.085 0.000 1.067 174 W CA -1.011 56.276 57.345 -0.096 0.000 1.229 174 W CB 1.012 30.431 29.460 -0.067 0.000 1.355 174 W HN 0.212 nan 8.180 nan 0.000 0.555 175 Q N 3.308 123.211 119.800 0.171 0.000 2.304 175 Q HA 0.266 4.599 4.340 -0.011 0.000 0.260 175 Q C -0.665 175.389 176.000 0.090 0.000 0.965 175 Q CA 0.052 55.919 55.803 0.106 0.000 0.898 175 Q CB 0.595 29.390 28.738 0.094 0.000 1.196 175 Q HN 0.310 nan 8.270 nan 0.000 0.402 176 M N 3.488 123.137 119.600 0.081 0.000 2.181 176 M HA 0.369 4.843 4.480 -0.011 0.000 0.323 176 M C -1.126 175.202 176.300 0.047 0.000 1.004 176 M CA -0.667 54.658 55.300 0.042 0.000 0.941 176 M CB 1.473 34.110 32.600 0.061 0.000 1.579 176 M HN 0.575 nan 8.290 nan 0.000 0.427 177 E N 2.398 122.567 120.200 -0.051 0.000 2.231 177 E HA 0.521 4.864 4.350 -0.011 0.000 0.277 177 E C -0.436 176.181 176.600 0.029 0.000 0.999 177 E CA -0.447 55.911 56.400 -0.071 0.000 0.827 177 E CB 1.525 30.944 29.700 -0.468 0.000 1.101 177 E HN 0.563 nan 8.360 nan 0.000 0.393 178 E N 0.434 120.724 120.200 0.150 0.000 2.408 178 E HA 0.721 5.064 4.350 -0.011 0.000 0.275 178 E C -1.136 175.554 176.600 0.151 0.000 0.935 178 E CA -1.529 54.934 56.400 0.106 0.000 0.775 178 E CB 1.203 30.964 29.700 0.102 0.000 1.277 178 E HN 0.437 nan 8.360 nan 0.000 0.455 179 A N 1.460 124.321 122.820 0.070 0.000 2.540 179 A HA 0.079 4.393 4.320 -0.011 0.000 0.239 179 A C -0.187 177.544 177.584 0.245 0.000 1.061 179 A CA 0.341 52.421 52.037 0.071 0.000 0.758 179 A CB -0.037 18.875 19.000 -0.147 0.000 0.991 179 A HN 0.627 nan 8.150 nan 0.000 0.502 180 D N 1.516 122.133 120.400 0.361 0.000 2.456 180 D HA 0.231 4.864 4.640 -0.011 0.000 0.219 180 D C -0.646 175.972 176.300 0.530 0.000 1.126 180 D CA -0.192 54.027 54.000 0.365 0.000 0.890 180 D CB 0.583 41.536 40.800 0.256 0.000 1.025 180 D HN 0.368 nan 8.370 nan 0.000 0.511 181 D N 4.450 125.119 120.400 0.449 0.000 2.845 181 D HA 0.007 4.640 4.640 -0.011 0.000 0.235 181 D C 1.209 177.684 176.300 0.291 0.000 1.158 181 D CA -0.592 53.637 54.000 0.382 0.000 0.990 181 D CB -0.140 40.855 40.800 0.324 0.000 1.094 181 D HN 0.540 nan 8.370 nan 0.000 0.486 182 W N 1.478 122.842 121.300 0.107 0.000 2.392 182 W HA -0.083 4.571 4.660 -0.011 0.000 0.279 182 W C 0.454 177.047 176.519 0.122 0.000 1.225 182 W CA 0.201 57.617 57.345 0.117 0.000 1.233 182 W CB -0.970 28.549 29.460 0.099 0.000 1.122 182 W HN 0.162 nan 8.180 nan 0.000 0.561 183 L N 1.042 121.952 121.223 -0.521 0.000 2.591 183 L HA 0.138 4.472 4.340 -0.011 0.000 0.228 183 L C 2.797 179.542 176.870 -0.209 0.000 1.133 183 L CA 0.089 54.596 54.840 -0.555 0.000 0.880 183 L CB -0.669 40.891 42.059 -0.830 0.000 1.033 183 L HN -0.077 nan 8.230 nan 0.000 0.450 184 R N 0.179 120.629 120.500 -0.083 0.000 2.140 184 R HA -0.246 4.088 4.340 -0.011 0.000 0.250 184 R C 1.442 177.590 176.300 -0.254 0.000 1.150 184 R CA 2.117 58.128 56.100 -0.148 0.000 0.966 184 R CB -0.145 30.074 30.300 -0.135 0.000 0.869 184 R HN 0.323 nan 8.270 nan 0.000 0.445 185 Y N -1.051 119.275 120.300 0.044 0.000 2.457 185 Y HA 0.300 4.844 4.550 -0.010 0.000 0.263 185 Y C 0.907 176.845 175.900 0.063 0.000 1.164 185 Y CA 0.532 58.684 58.100 0.088 0.000 1.274 185 Y CB 1.257 39.870 38.460 0.254 0.000 1.097 185 Y HN 0.389 nan 8.280 nan 0.000 0.523 186 G N 0.841 109.715 108.800 0.124 0.000 2.541 186 G HA2 -0.191 3.763 3.960 -0.011 0.000 0.686 186 G HA3 -0.191 3.763 3.960 -0.011 0.000 0.686 186 G C -1.208 173.767 174.900 0.126 0.000 1.286 186 G CA -0.811 44.330 45.100 0.069 0.000 0.894 186 G HN 0.150 nan 8.290 nan 0.000 0.575 187 N N 0.794 119.533 118.700 0.066 0.000 2.609 187 N HA 0.437 5.170 4.740 -0.011 0.000 0.268 187 N C -1.971 173.530 175.510 -0.016 0.000 1.106 187 N CA -1.382 51.703 53.050 0.058 0.000 0.823 187 N CB 2.204 40.673 38.487 -0.030 0.000 1.263 187 N HN 0.185 nan 8.380 nan 0.000 0.533 188 P HA 0.027 nan 4.420 nan 0.000 0.236 188 P C 0.224 177.196 177.300 -0.546 0.000 1.172 188 P CA 0.714 63.456 63.100 -0.596 0.000 0.759 188 P CB -0.018 30.965 31.700 -1.195 0.000 0.843 189 W N 0.521 121.832 121.300 0.018 0.000 2.792 189 W HA 0.113 4.767 4.660 -0.010 0.000 0.262 189 W C 1.093 177.644 176.519 0.053 0.000 1.212 189 W CA -0.456 56.893 57.345 0.007 0.000 1.433 189 W CB 0.046 29.504 29.460 -0.002 0.000 1.004 189 W HN -0.113 nan 8.180 nan 0.000 0.608 190 E N 1.846 122.209 120.200 0.271 0.000 2.349 190 E HA 0.301 4.645 4.350 -0.011 0.000 0.262 190 E C -0.554 176.214 176.600 0.281 0.000 1.088 190 E CA -0.590 55.972 56.400 0.270 0.000 0.899 190 E CB 1.227 31.083 29.700 0.259 0.000 1.044 190 E HN -0.323 nan 8.360 nan 0.000 0.420 191 K N 1.366 121.950 120.400 0.307 0.000 2.572 191 K HA 0.378 4.691 4.320 -0.011 0.000 0.244 191 K C -1.103 175.563 176.600 0.110 0.000 0.965 191 K CA -0.405 56.009 56.287 0.212 0.000 0.943 191 K CB 1.170 33.787 32.500 0.195 0.000 1.154 191 K HN 0.667 nan 8.250 nan 0.000 0.447 192 A N 3.939 126.783 122.820 0.041 0.000 2.565 192 A HA 0.215 4.528 4.320 -0.011 0.000 0.237 192 A C -0.204 177.243 177.584 -0.229 0.000 1.053 192 A CA 0.177 51.987 52.037 -0.379 0.000 0.755 192 A CB 0.187 18.967 19.000 -0.367 0.000 0.980 192 A HN 0.681 nan 8.150 nan 0.000 0.506 193 R N 2.762 123.099 120.500 -0.271 0.000 2.748 193 R HA 0.211 4.545 4.340 -0.011 0.000 0.283 193 R C -2.522 173.801 176.300 0.038 0.000 1.507 193 R CA -1.467 54.605 56.100 -0.047 0.000 1.666 193 R CB 0.578 30.843 30.300 -0.058 0.000 1.237 193 R HN 0.464 nan 8.270 nan 0.000 0.633 194 P HA -0.132 nan 4.420 nan 0.000 0.219 194 P C 0.617 177.947 177.300 0.051 0.000 1.146 194 P CA 1.046 64.156 63.100 0.016 0.000 0.808 194 P CB 0.490 32.183 31.700 -0.012 0.000 0.779 195 E N -0.758 119.469 120.200 0.046 0.000 2.114 195 E HA -0.197 4.146 4.350 -0.011 0.000 0.199 195 E C 0.961 177.460 176.600 -0.167 0.000 1.008 195 E CA 1.341 57.691 56.400 -0.084 0.000 0.810 195 E CB -1.125 28.465 29.700 -0.182 0.000 0.739 195 E HN 0.359 nan 8.360 nan 0.000 0.456 196 F N 0.448 120.409 119.950 0.018 0.000 2.663 196 F HA 0.165 4.686 4.527 -0.010 0.000 0.299 196 F C 0.875 176.753 175.800 0.130 0.000 1.143 196 F CA -0.027 58.011 58.000 0.064 0.000 1.387 196 F CB 0.032 39.066 39.000 0.056 0.000 1.019 196 F HN -0.197 nan 8.300 nan 0.000 0.523 197 T N 1.884 116.570 114.554 0.220 0.000 2.930 197 T HA 0.361 4.704 4.350 -0.011 0.000 0.306 197 T C -0.301 174.486 174.700 0.145 0.000 1.045 197 T CA -0.072 62.156 62.100 0.212 0.000 1.134 197 T CB 0.251 69.205 68.868 0.143 0.000 0.961 197 T HN -0.095 nan 8.240 nan 0.000 0.545 198 L N 6.277 127.562 121.223 0.105 0.000 2.333 198 L HA 0.724 5.058 4.340 -0.011 0.000 0.263 198 L C -2.257 174.586 176.870 -0.046 0.000 1.014 198 L CA -2.425 52.416 54.840 0.002 0.000 0.820 198 L CB 2.118 44.117 42.059 -0.100 0.000 1.352 198 L HN 0.531 nan 8.230 nan 0.000 0.421 199 P HA 0.471 nan 4.420 nan 0.000 0.296 199 P C -1.349 175.838 177.300 -0.188 0.000 1.310 199 P CA -0.588 62.443 63.100 -0.115 0.000 0.900 199 P CB 2.549 34.171 31.700 -0.130 0.000 1.111 200 V N 3.418 123.217 119.914 -0.191 0.000 2.555 200 V HA 0.321 4.435 4.120 -0.011 0.000 0.302 200 V C 0.275 176.160 176.094 -0.349 0.000 1.038 200 V CA -0.605 61.560 62.300 -0.226 0.000 0.887 200 V CB 1.280 33.033 31.823 -0.116 0.000 0.991 200 V HN 0.595 nan 8.190 nan 0.000 0.434 201 H N 3.645 122.554 119.070 -0.270 0.000 2.473 201 H HA 0.536 5.086 4.556 -0.011 0.000 0.327 201 H C -1.206 173.792 175.328 -0.550 0.000 1.105 201 H CA -0.017 55.775 56.048 -0.427 0.000 1.280 201 H CB 1.637 30.906 29.762 -0.821 0.000 1.450 201 H HN 0.436 nan 8.280 nan 0.000 0.492 202 F N 0.802 120.798 119.950 0.076 0.000 2.593 202 F HA 0.230 4.750 4.527 -0.011 0.000 0.320 202 F C -0.148 175.791 175.800 0.232 0.000 1.060 202 F CA -0.472 57.607 58.000 0.131 0.000 0.940 202 F CB 0.860 39.918 39.000 0.097 0.000 1.268 202 F HN 0.582 nan 8.300 nan 0.000 0.475 203 Y N 0.035 120.586 120.300 0.419 0.000 2.914 203 Y HA 0.086 4.630 4.550 -0.010 0.000 0.465 203 Y C 1.023 177.114 175.900 0.319 0.000 1.209 203 Y CA 0.546 58.818 58.100 0.286 0.000 2.458 203 Y CB -1.715 36.837 38.460 0.154 0.000 1.245 203 Y HN 1.225 nan 8.280 nan 0.000 0.635 204 G N -0.152 108.868 108.800 0.367 0.000 2.466 204 G HA2 0.227 4.181 3.960 -0.011 0.000 0.316 204 G HA3 0.227 4.181 3.960 -0.011 0.000 0.316 204 G C -1.240 173.817 174.900 0.263 0.000 1.270 204 G CA -0.323 44.919 45.100 0.236 0.000 0.982 204 G HN 0.706 nan 8.290 nan 0.000 0.506 205 R N -1.765 118.878 120.500 0.238 0.000 2.836 205 R HA 0.688 5.022 4.340 -0.011 0.000 0.269 205 R C -1.051 175.375 176.300 0.210 0.000 1.010 205 R CA -0.872 55.328 56.100 0.168 0.000 0.930 205 R CB 2.495 32.845 30.300 0.084 0.000 1.218 205 R HN 0.509 nan 8.270 nan 0.000 0.473 206 V N 1.894 121.855 119.914 0.079 0.000 2.384 206 V HA 0.284 4.398 4.120 -0.011 0.000 0.287 206 V C -0.485 175.532 176.094 -0.128 0.000 1.020 206 V CA -0.600 61.676 62.300 -0.039 0.000 0.850 206 V CB 1.584 33.326 31.823 -0.135 0.000 0.987 206 V HN 0.686 nan 8.190 nan 0.000 0.436 207 E N 3.342 123.455 120.200 -0.144 0.000 2.191 207 E HA 0.424 4.768 4.350 -0.011 0.000 0.278 207 E C -0.867 175.576 176.600 -0.262 0.000 0.972 207 E CA -0.723 55.601 56.400 -0.126 0.000 0.804 207 E CB 1.254 30.929 29.700 -0.042 0.000 1.110 207 E HN 0.612 nan 8.360 nan 0.000 0.394 208 H N 2.165 121.247 119.070 0.021 0.000 2.724 208 H HA 0.243 4.793 4.556 -0.011 0.000 0.278 208 H C -0.773 174.563 175.328 0.013 0.000 1.159 208 H CA -0.104 55.952 56.048 0.014 0.000 1.254 208 H CB 0.607 30.374 29.762 0.009 0.000 1.412 208 H HN 0.287 nan 8.280 nan 0.000 0.488 209 T N 2.489 117.082 114.554 0.065 0.000 2.906 209 T HA 0.288 4.631 4.350 -0.011 0.000 0.302 209 T C 0.362 175.087 174.700 0.041 0.000 1.002 209 T CA -0.313 61.816 62.100 0.048 0.000 0.988 209 T CB 1.286 70.169 68.868 0.025 0.000 0.972 209 T HN 0.773 nan 8.240 nan 0.000 0.447 210 S N 3.392 119.119 115.700 0.045 0.000 4.116 210 S HA -0.236 4.228 4.470 -0.011 0.000 0.623 210 S C 0.214 174.839 174.600 0.041 0.000 1.933 210 S CA 0.557 58.779 58.200 0.036 0.000 4.224 210 S CB -0.735 62.481 63.200 0.027 0.000 0.208 210 S HN 0.767 nan 8.310 nan 0.000 0.527 211 Q N 2.903 122.723 119.800 0.033 0.000 2.835 211 Q HA 0.602 4.936 4.340 -0.011 0.000 0.235 211 Q C 0.299 176.322 176.000 0.037 0.000 1.313 211 Q CA 0.761 56.585 55.803 0.035 0.000 1.053 211 Q CB 0.703 29.458 28.738 0.028 0.000 1.443 211 Q HN 1.001 nan 8.270 nan 0.000 0.576 212 G N -0.295 108.537 108.800 0.053 0.000 2.352 212 G HA2 0.443 4.397 3.960 -0.011 0.000 0.305 212 G HA3 0.443 4.397 3.960 -0.011 0.000 0.305 212 G C -1.618 173.308 174.900 0.044 0.000 1.537 212 G CA -0.485 44.643 45.100 0.047 0.000 0.959 212 G HN 0.432 nan 8.290 nan 0.000 0.668 213 A N 0.407 123.236 122.820 0.016 0.000 2.303 213 A HA 0.910 5.224 4.320 -0.011 0.000 0.317 213 A C 0.235 177.781 177.584 -0.063 0.000 1.149 213 A CA -0.156 51.821 52.037 -0.100 0.000 0.822 213 A CB 0.877 19.797 19.000 -0.133 0.000 1.131 213 A HN 1.317 nan 8.150 nan 0.000 0.493 214 K N 1.142 121.496 120.400 -0.077 0.000 2.482 214 K HA 0.406 4.720 4.320 -0.011 0.000 0.251 214 K C -1.599 175.023 176.600 0.036 0.000 0.936 214 K CA -0.497 55.781 56.287 -0.015 0.000 0.791 214 K CB 1.679 34.167 32.500 -0.020 0.000 1.213 214 K HN 0.574 nan 8.250 nan 0.000 0.428 215 W N 4.348 125.559 121.300 -0.147 0.000 2.338 215 W HA 0.518 5.171 4.660 -0.011 0.000 0.307 215 W C -1.308 175.133 176.519 -0.131 0.000 1.167 215 W CA -0.862 56.398 57.345 -0.141 0.000 1.208 215 W CB 1.047 30.414 29.460 -0.156 0.000 1.228 215 W HN 0.432 nan 8.180 nan 0.000 0.499 216 V N 6.028 125.923 119.914 -0.032 0.000 3.160 216 V HA 0.340 4.453 4.120 -0.011 0.000 0.310 216 V C -0.760 175.264 176.094 -0.116 0.000 1.181 216 V CA -0.658 61.583 62.300 -0.099 0.000 1.047 216 V CB 2.140 33.948 31.823 -0.025 0.000 1.068 216 V HN 0.498 nan 8.190 nan 0.000 0.441 217 D N 1.487 121.827 120.400 -0.100 0.000 2.686 217 D HA -0.129 4.505 4.640 -0.011 0.000 0.235 217 D C 0.255 176.493 176.300 -0.103 0.000 1.160 217 D CA 1.450 55.397 54.000 -0.089 0.000 0.645 217 D CB -1.101 39.676 40.800 -0.039 0.000 1.039 217 D HN 0.865 nan 8.370 nan 0.000 0.423 218 T N -2.942 111.515 114.554 -0.163 0.000 2.929 218 T HA 0.545 4.889 4.350 -0.011 0.000 0.284 218 T C 0.366 175.047 174.700 -0.031 0.000 1.014 218 T CA -0.980 61.048 62.100 -0.121 0.000 1.051 218 T CB 2.097 70.720 68.868 -0.408 0.000 1.028 218 T HN 0.048 nan 8.240 nan 0.000 0.485 219 Q N 0.864 120.711 119.800 0.079 0.000 2.293 219 Q HA 0.539 4.873 4.340 -0.011 0.000 0.251 219 Q C -0.773 175.263 176.000 0.060 0.000 0.930 219 Q CA -0.842 54.983 55.803 0.037 0.000 0.893 219 Q CB 1.670 30.492 28.738 0.140 0.000 1.215 219 Q HN 0.493 nan 8.270 nan 0.000 0.425 220 V N 2.902 122.809 119.914 -0.011 0.000 2.435 220 V HA 0.350 4.464 4.120 -0.011 0.000 0.290 220 V C -0.156 175.975 176.094 0.063 0.000 1.030 220 V CA -0.553 61.688 62.300 -0.100 0.000 0.881 220 V CB 1.727 33.463 31.823 -0.145 0.000 0.983 220 V HN 0.504 nan 8.190 nan 0.000 0.445 221 V N 6.004 125.999 119.914 0.135 0.000 2.769 221 V HA 0.556 4.669 4.120 -0.011 0.000 0.312 221 V C -0.256 175.934 176.094 0.161 0.000 1.058 221 V CA -0.680 61.739 62.300 0.198 0.000 0.952 221 V CB 2.081 34.113 31.823 0.348 0.000 1.019 221 V HN 0.637 nan 8.190 nan 0.000 0.445 222 L N 2.741 124.072 121.223 0.179 0.000 2.325 222 L HA 0.827 5.161 4.340 -0.011 0.000 0.278 222 L C 0.091 177.135 176.870 0.290 0.000 1.023 222 L CA -0.627 54.311 54.840 0.164 0.000 0.811 222 L CB 1.715 43.853 42.059 0.130 0.000 1.249 222 L HN 0.698 nan 8.230 nan 0.000 0.431 223 A N 4.237 127.179 122.820 0.203 0.000 2.256 223 A HA 0.627 4.940 4.320 -0.011 0.000 0.317 223 A C -0.503 177.332 177.584 0.417 0.000 1.318 223 A CA -0.412 51.780 52.037 0.259 0.000 0.894 223 A CB 0.840 19.580 19.000 -0.433 0.000 1.165 223 A HN 0.800 nan 8.150 nan 0.000 0.525 224 M N 6.150 126.047 119.600 0.494 0.000 2.088 224 M HA 0.421 4.895 4.480 -0.011 0.000 0.346 224 M C -2.532 173.991 176.300 0.373 0.000 1.111 224 M CA -2.160 53.356 55.300 0.361 0.000 1.017 224 M CB 1.726 34.472 32.600 0.243 0.000 1.568 224 M HN 0.349 nan 8.290 nan 0.000 0.445 225 P HA 0.218 nan 4.420 nan 0.000 0.277 225 P C -1.871 175.317 177.300 -0.186 0.000 1.240 225 P CA 0.101 63.097 63.100 -0.174 0.000 0.798 225 P CB 0.433 31.852 31.700 -0.469 0.000 0.979 226 Y N 0.105 120.301 120.300 -0.172 0.000 2.331 226 Y HA 0.285 4.828 4.550 -0.011 0.000 0.326 226 Y C -0.199 175.636 175.900 -0.108 0.000 1.020 226 Y CA -0.483 57.575 58.100 -0.070 0.000 1.136 226 Y CB 1.517 39.977 38.460 0.001 0.000 1.157 226 Y HN 0.197 nan 8.280 nan 0.000 0.444 227 D N 2.076 122.538 120.400 0.104 0.000 2.168 227 D HA 0.461 5.095 4.640 -0.011 0.000 0.246 227 D C -0.571 175.870 176.300 0.234 0.000 1.050 227 D CA -0.386 53.690 54.000 0.127 0.000 0.857 227 D CB 1.891 42.824 40.800 0.221 0.000 1.169 227 D HN 0.332 nan 8.370 nan 0.000 0.453 228 T N 2.390 116.983 114.554 0.065 0.000 2.829 228 T HA 0.481 4.825 4.350 -0.011 0.000 0.280 228 T C -2.504 171.961 174.700 -0.391 0.000 0.999 228 T CA -1.518 60.538 62.100 -0.073 0.000 0.983 228 T CB 2.018 70.859 68.868 -0.045 0.000 0.968 228 T HN 0.176 nan 8.240 nan 0.000 0.446 229 P HA 0.273 nan 4.420 nan 0.000 0.271 229 P C -0.976 175.990 177.300 -0.557 0.000 1.216 229 P CA -0.361 62.072 63.100 -1.111 0.000 0.776 229 P CB 0.787 31.685 31.700 -1.337 0.000 0.881 230 V N 5.292 124.945 119.914 -0.435 0.000 2.305 230 V HA 0.254 4.367 4.120 -0.011 0.000 0.275 230 V C -2.068 173.898 176.094 -0.214 0.000 1.020 230 V CA -1.861 60.277 62.300 -0.269 0.000 0.811 230 V CB 1.437 33.144 31.823 -0.192 0.000 1.031 230 V HN 0.549 nan 8.190 nan 0.000 0.439 231 P HA 0.257 nan 4.420 nan 0.000 0.287 231 P C 0.409 177.664 177.300 -0.076 0.000 1.281 231 P CA 0.283 63.305 63.100 -0.131 0.000 0.781 231 P CB 1.580 33.201 31.700 -0.132 0.000 0.903 232 G N 3.000 111.774 108.800 -0.043 0.000 2.636 232 G HA2 0.059 4.012 3.960 -0.011 0.000 0.246 232 G HA3 0.059 4.012 3.960 -0.011 0.000 0.246 232 G C -0.965 173.947 174.900 0.020 0.000 1.216 232 G CA -0.401 44.702 45.100 0.004 0.000 0.854 232 G HN 0.486 nan 8.290 nan 0.000 0.572 233 Y N 0.740 121.007 120.300 -0.056 0.000 2.605 233 Y HA 0.161 4.704 4.550 -0.011 0.000 0.336 233 Y C 1.436 177.305 175.900 -0.051 0.000 1.111 233 Y CA -0.055 58.009 58.100 -0.060 0.000 1.422 233 Y CB 0.247 38.670 38.460 -0.061 0.000 1.193 233 Y HN 0.690 nan 8.280 nan 0.000 0.526 234 R N 2.872 123.006 120.500 -0.610 0.000 3.424 234 R HA -0.318 4.015 4.340 -0.011 0.000 0.247 234 R C -0.023 176.161 176.300 -0.193 0.000 1.000 234 R CA 1.514 57.353 56.100 -0.434 0.000 0.672 234 R CB -1.788 28.130 30.300 -0.638 0.000 1.042 234 R HN 0.910 nan 8.270 nan 0.000 0.470 235 N N -1.769 116.864 118.700 -0.111 0.000 2.170 235 N HA 0.083 4.817 4.740 -0.011 0.000 0.222 235 N C -0.198 175.281 175.510 -0.052 0.000 1.218 235 N CA -0.388 52.628 53.050 -0.057 0.000 0.889 235 N CB 0.577 39.055 38.487 -0.014 0.000 1.083 235 N HN 0.053 nan 8.380 nan 0.000 0.520 236 N N -0.482 118.181 118.700 -0.061 0.000 2.778 236 N HA -0.144 4.590 4.740 -0.011 0.000 0.249 236 N C -0.915 174.572 175.510 -0.039 0.000 1.069 236 N CA 0.679 53.700 53.050 -0.048 0.000 0.831 236 N CB -1.271 37.187 38.487 -0.049 0.000 1.142 236 N HN 0.229 nan 8.380 nan 0.000 0.573 237 V N 1.177 121.073 119.914 -0.030 0.000 2.465 237 V HA 0.430 4.543 4.120 -0.011 0.000 0.279 237 V C 0.536 176.619 176.094 -0.018 0.000 1.045 237 V CA -0.435 61.859 62.300 -0.010 0.000 0.938 237 V CB 2.049 33.890 31.823 0.030 0.000 0.986 237 V HN -0.033 nan 8.190 nan 0.000 0.467 238 V N 5.537 125.448 119.914 -0.006 0.000 2.482 238 V HA 0.486 4.600 4.120 -0.011 0.000 0.295 238 V C -0.224 175.862 176.094 -0.014 0.000 1.026 238 V CA -0.838 61.425 62.300 -0.062 0.000 0.856 238 V CB 1.681 33.457 31.823 -0.077 0.000 1.001 238 V HN 0.859 nan 8.190 nan 0.000 0.424 239 N N 1.856 120.510 118.700 -0.078 0.000 2.604 239 N HA 0.623 5.357 4.740 -0.011 0.000 0.297 239 N C -0.240 175.216 175.510 -0.090 0.000 1.266 239 N CA -0.457 52.571 53.050 -0.037 0.000 0.961 239 N CB 1.387 39.817 38.487 -0.095 0.000 1.166 239 N HN 0.581 nan 8.380 nan 0.000 0.601 240 T N 0.789 115.314 114.554 -0.048 0.000 2.824 240 T HA 0.386 4.730 4.350 -0.011 0.000 0.282 240 T C -0.327 174.323 174.700 -0.083 0.000 0.993 240 T CA -0.470 61.657 62.100 0.044 0.000 0.967 240 T CB 0.969 70.004 68.868 0.279 0.000 0.960 240 T HN 0.258 nan 8.240 nan 0.000 0.441 241 M N 3.673 123.175 119.600 -0.163 0.000 2.061 241 M HA 0.501 4.975 4.480 -0.011 0.000 0.346 241 M C -0.388 175.725 176.300 -0.312 0.000 1.112 241 M CA -0.807 54.318 55.300 -0.292 0.000 1.021 241 M CB 0.404 32.798 32.600 -0.343 0.000 1.530 241 M HN 0.413 nan 8.290 nan 0.000 0.437 242 R N 4.699 124.897 120.500 -0.503 0.000 2.215 242 R HA 0.475 4.809 4.340 -0.011 0.000 0.337 242 R C -1.976 173.958 176.300 -0.610 0.000 1.010 242 R CA -0.371 55.356 56.100 -0.622 0.000 0.871 242 R CB 0.547 30.258 30.300 -0.982 0.000 1.134 242 R HN 0.628 nan 8.270 nan 0.000 0.477 243 L N 5.813 126.802 121.223 -0.390 0.000 2.287 243 L HA 0.456 4.789 4.340 -0.011 0.000 0.287 243 L C -0.907 175.883 176.870 -0.134 0.000 1.022 243 L CA -0.415 54.305 54.840 -0.200 0.000 0.814 243 L CB 0.847 42.875 42.059 -0.053 0.000 1.217 243 L HN 0.621 nan 8.230 nan 0.000 0.420 244 W N 2.633 124.027 121.300 0.156 0.000 2.261 244 W HA 0.516 5.170 4.660 -0.010 0.000 0.323 244 W C 0.714 177.445 176.519 0.353 0.000 1.243 244 W CA -0.068 57.398 57.345 0.202 0.000 1.210 244 W CB 1.125 30.573 29.460 -0.019 0.000 1.149 244 W HN 0.420 nan 8.180 nan 0.000 0.562 245 S N 1.456 117.564 115.700 0.680 0.000 2.532 245 S HA 0.784 5.247 4.470 -0.011 0.000 0.301 245 S C -0.506 174.447 174.600 0.589 0.000 1.083 245 S CA -0.744 57.780 58.200 0.540 0.000 1.025 245 S CB 0.764 64.251 63.200 0.478 0.000 1.056 245 S HN 0.505 nan 8.310 nan 0.000 0.494 246 A N 4.144 127.175 122.820 0.352 0.000 2.331 246 A HA 0.701 5.015 4.320 -0.011 0.000 0.283 246 A C -0.276 177.420 177.584 0.186 0.000 1.142 246 A CA -0.370 51.796 52.037 0.215 0.000 0.812 246 A CB 0.460 19.365 19.000 -0.160 0.000 1.074 246 A HN 0.603 nan 8.150 nan 0.000 0.497 247 K N 1.086 121.603 120.400 0.196 0.000 2.427 247 K HA 0.608 4.922 4.320 -0.011 0.000 0.252 247 K C -0.508 176.163 176.600 0.119 0.000 0.931 247 K CA -0.396 55.981 56.287 0.149 0.000 0.793 247 K CB 2.134 34.731 32.500 0.162 0.000 1.211 247 K HN 0.855 nan 8.250 nan 0.000 0.426 248 A N 4.586 127.459 122.820 0.088 0.000 2.388 248 A HA 0.450 4.764 4.320 -0.011 0.000 0.257 248 A C -2.088 175.544 177.584 0.080 0.000 1.095 248 A CA -1.059 51.025 52.037 0.078 0.000 0.791 248 A CB -0.260 18.775 19.000 0.058 0.000 1.029 248 A HN 0.382 nan 8.150 nan 0.000 0.489 249 P HA 0.037 nan 4.420 nan 0.000 0.272 249 P C 0.147 177.486 177.300 0.066 0.000 1.223 249 P CA -0.284 62.865 63.100 0.082 0.000 0.784 249 P CB 0.644 32.406 31.700 0.104 0.000 0.923 250 N N 1.741 120.469 118.700 0.047 0.000 2.270 250 N HA -0.155 4.579 4.740 -0.011 0.000 0.181 250 N C 1.017 176.535 175.510 0.013 0.000 1.016 250 N CA 1.303 54.373 53.050 0.033 0.000 0.870 250 N CB -0.903 37.600 38.487 0.028 0.000 0.979 250 N HN 0.524 nan 8.380 nan 0.000 0.431 251 D N 0.243 120.633 120.400 -0.016 0.000 2.128 251 D HA -0.153 4.481 4.640 -0.011 0.000 0.213 251 D C 1.245 177.457 176.300 -0.147 0.000 0.983 251 D CA 0.565 54.495 54.000 -0.117 0.000 0.889 251 D CB -0.707 39.977 40.800 -0.193 0.000 1.018 251 D HN 0.119 nan 8.370 nan 0.000 0.448 252 F N 0.758 120.711 119.950 0.005 0.000 2.451 252 F HA 0.064 4.585 4.527 -0.011 0.000 0.299 252 F C 0.897 176.690 175.800 -0.012 0.000 1.101 252 F CA 0.530 58.524 58.000 -0.011 0.000 1.436 252 F CB -0.432 38.558 39.000 -0.017 0.000 1.074 252 F HN -0.047 nan 8.300 nan 0.000 0.553 253 N N 1.030 119.816 118.700 0.142 0.000 3.301 253 N HA 0.298 5.032 4.740 -0.011 0.000 0.289 253 N C 0.282 175.809 175.510 0.028 0.000 1.343 253 N CA 0.124 53.219 53.050 0.075 0.000 1.136 253 N CB 0.465 38.989 38.487 0.063 0.000 1.402 253 N HN -0.013 nan 8.380 nan 0.000 0.516 254 L N -0.257 120.986 121.223 0.034 0.000 1.426 254 L HA -0.096 4.238 4.340 -0.011 0.000 0.032 254 L C -0.787 176.097 176.870 0.023 0.000 1.750 254 L CA 0.081 54.939 54.840 0.030 0.000 0.969 254 L CB -0.859 41.233 42.059 0.054 0.000 1.719 254 L HN 0.282 nan 8.230 nan 0.000 0.387 255 K N 3.002 123.375 120.400 -0.045 0.000 2.178 255 K HA 0.126 4.439 4.320 -0.011 0.000 0.256 255 K C -1.068 175.369 176.600 -0.273 0.000 1.258 255 K CA 1.256 57.459 56.287 -0.139 0.000 1.273 255 K CB -0.878 31.508 32.500 -0.190 0.000 0.834 255 K HN 0.410 nan 8.250 nan 0.000 0.447 256 D N 3.050 123.379 120.400 -0.118 0.000 2.836 256 D HA 0.242 4.876 4.640 -0.011 0.000 0.215 256 D C -1.382 174.771 176.300 -0.245 0.000 1.255 256 D CA -0.629 53.194 54.000 -0.295 0.000 0.822 256 D CB 0.531 41.276 40.800 -0.092 0.000 1.656 256 D HN 0.309 nan 8.370 nan 0.000 0.511 257 F N 2.242 122.215 119.950 0.038 0.000 2.375 257 F HA 0.612 5.132 4.527 -0.011 0.000 0.362 257 F C 0.006 175.826 175.800 0.033 0.000 1.129 257 F CA -0.892 57.126 58.000 0.030 0.000 1.154 257 F CB -0.131 38.879 39.000 0.016 0.000 1.205 257 F HN 0.280 nan 8.300 nan 0.000 0.513 258 N N 0.394 119.187 118.700 0.154 0.000 4.251 258 N HA 0.343 5.077 4.740 -0.011 0.000 0.189 258 N C -1.333 174.223 175.510 0.077 0.000 1.037 258 N CA -1.313 51.800 53.050 0.104 0.000 1.139 258 N CB 0.914 39.441 38.487 0.066 0.000 1.614 258 N HN 0.486 nan 8.380 nan 0.000 0.802 259 V N 0.276 120.232 119.914 0.069 0.000 2.720 259 V HA 0.563 4.676 4.120 -0.011 0.000 0.307 259 V C 0.980 177.100 176.094 0.043 0.000 1.071 259 V CA 1.315 63.650 62.300 0.058 0.000 1.199 259 V CB 0.429 32.281 31.823 0.049 0.000 0.900 259 V HN 1.086 nan 8.190 nan 0.000 0.494 260 G N 1.959 110.785 108.800 0.043 0.000 3.361 260 G HA2 0.649 4.602 3.960 -0.011 0.000 0.200 260 G HA3 0.649 4.602 3.960 -0.011 0.000 0.200 260 G C 0.406 175.325 174.900 0.031 0.000 1.355 260 G CA 0.387 45.505 45.100 0.030 0.000 0.798 260 G HN 1.908 nan 8.290 nan 0.000 0.803 261 G N -1.130 107.695 108.800 0.042 0.000 2.169 261 G HA2 0.349 4.302 3.960 -0.011 0.000 0.286 261 G HA3 0.349 4.302 3.960 -0.011 0.000 0.286 261 G C -0.201 174.731 174.900 0.053 0.000 1.742 261 G CA 0.289 45.420 45.100 0.050 0.000 0.904 261 G HN 0.557 nan 8.290 nan 0.000 0.735 262 Y N 3.502 123.814 120.300 0.019 0.000 2.114 262 Y HA -0.060 4.484 4.550 -0.011 0.000 0.284 262 Y C 2.436 178.346 175.900 0.017 0.000 1.143 262 Y CA 2.061 60.172 58.100 0.019 0.000 1.135 262 Y CB 0.048 38.518 38.460 0.017 0.000 0.980 262 Y HN 0.430 nan 8.280 nan 0.000 0.499 263 I N 0.543 120.996 120.570 -0.194 0.000 2.208 263 I HA -0.305 3.859 4.170 -0.011 0.000 0.245 263 I C 2.354 178.360 176.117 -0.184 0.000 1.097 263 I CA 1.716 62.888 61.300 -0.212 0.000 1.363 263 I CB -1.390 36.599 38.000 -0.017 0.000 1.051 263 I HN 0.352 nan 8.210 nan 0.000 0.413 264 Q N 1.121 120.860 119.800 -0.103 0.000 2.050 264 Q HA -0.097 4.237 4.340 -0.011 0.000 0.202 264 Q C 2.266 178.211 176.000 -0.092 0.000 0.980 264 Q CA 2.281 58.040 55.803 -0.072 0.000 0.840 264 Q CB -0.474 28.244 28.738 -0.033 0.000 0.898 264 Q HN 0.475 nan 8.270 nan 0.000 0.424 265 A N -0.853 121.899 122.820 -0.113 0.000 2.024 265 A HA -0.138 4.175 4.320 -0.011 0.000 0.220 265 A C 2.168 179.673 177.584 -0.131 0.000 1.164 265 A CA 1.690 53.667 52.037 -0.100 0.000 0.643 265 A CB -0.493 18.456 19.000 -0.085 0.000 0.806 265 A HN 0.274 nan 8.150 nan 0.000 0.451 266 V N -0.401 119.382 119.914 -0.219 0.000 2.599 266 V HA -0.094 4.020 4.120 -0.011 0.000 0.245 266 V C 2.384 178.418 176.094 -0.099 0.000 1.046 266 V CA 1.269 63.463 62.300 -0.177 0.000 1.065 266 V CB -0.487 31.178 31.823 -0.263 0.000 0.703 266 V HN 0.566 nan 8.190 nan 0.000 0.464 267 L N -0.044 121.123 121.223 -0.094 0.000 2.191 267 L HA -0.143 4.190 4.340 -0.011 0.000 0.212 267 L C 1.736 178.585 176.870 -0.034 0.000 1.103 267 L CA 1.228 56.037 54.840 -0.051 0.000 0.769 267 L CB -0.621 41.411 42.059 -0.045 0.000 0.908 267 L HN 0.335 nan 8.230 nan 0.000 0.438 268 D N -0.245 120.132 120.400 -0.037 0.000 2.363 268 D HA -0.039 4.595 4.640 -0.011 0.000 0.226 268 D C 2.080 178.373 176.300 -0.012 0.000 1.020 268 D CA 0.355 54.341 54.000 -0.023 0.000 0.892 268 D CB 0.100 40.885 40.800 -0.025 0.000 0.900 268 D HN 0.242 nan 8.370 nan 0.000 0.531 269 R N 0.816 121.310 120.500 -0.010 0.000 2.062 269 R HA 0.017 4.351 4.340 -0.011 0.000 0.229 269 R C 0.705 177.013 176.300 0.013 0.000 1.128 269 R CA 0.547 56.651 56.100 0.006 0.000 0.960 269 R CB -0.262 30.043 30.300 0.007 0.000 0.855 269 R HN 0.283 nan 8.270 nan 0.000 0.432 270 N N 1.541 120.249 118.700 0.012 0.000 2.466 270 N HA 0.014 4.747 4.740 -0.011 0.000 0.263 270 N C 0.069 175.586 175.510 0.011 0.000 1.178 270 N CA 0.322 53.384 53.050 0.021 0.000 0.983 270 N CB 1.344 39.849 38.487 0.029 0.000 1.331 270 N HN 0.094 nan 8.380 nan 0.000 0.500 271 L N 1.337 122.563 121.223 0.005 0.000 1.264 271 L HA 0.067 4.401 4.340 -0.011 0.000 0.095 271 L C 1.653 178.510 176.870 -0.022 0.000 1.410 271 L CA 0.611 55.446 54.840 -0.008 0.000 1.187 271 L CB -0.945 41.107 42.059 -0.012 0.000 2.452 271 L HN 0.399 nan 8.230 nan 0.000 0.464 272 A N -0.243 122.569 122.820 -0.013 0.000 1.929 272 A HA -0.051 4.263 4.320 -0.011 0.000 0.216 272 A C 1.649 179.217 177.584 -0.027 0.000 1.176 272 A CA 1.661 53.685 52.037 -0.022 0.000 0.628 272 A CB -0.359 18.653 19.000 0.020 0.000 0.816 272 A HN 0.540 nan 8.150 nan 0.000 0.444 273 E N 0.189 120.392 120.200 0.005 0.000 2.511 273 E HA -0.043 4.300 4.350 -0.011 0.000 0.196 273 E C 0.753 177.363 176.600 0.016 0.000 1.066 273 E CA -0.015 56.398 56.400 0.021 0.000 0.871 273 E CB -0.052 29.678 29.700 0.049 0.000 0.863 273 E HN 0.447 nan 8.360 nan 0.000 0.520 274 N N 0.609 119.309 118.700 0.000 0.000 2.457 274 N HA 0.001 4.735 4.740 -0.011 0.000 0.180 274 N C 1.541 177.059 175.510 0.013 0.000 1.050 274 N CA 0.421 53.486 53.050 0.025 0.000 0.906 274 N CB 0.142 38.641 38.487 0.019 0.000 0.968 274 N HN 0.247 nan 8.380 nan 0.000 0.445 275 I N 0.472 120.994 120.570 -0.081 0.000 2.264 275 I HA -0.220 3.944 4.170 -0.011 0.000 0.248 275 I C 1.110 177.181 176.117 -0.077 0.000 1.111 275 I CA 1.133 62.340 61.300 -0.155 0.000 1.382 275 I CB -0.166 37.575 38.000 -0.433 0.000 1.060 275 I HN 0.097 nan 8.210 nan 0.000 0.418 276 S N -0.265 115.411 115.700 -0.039 0.000 2.573 276 S HA 0.196 4.660 4.470 -0.011 0.000 0.244 276 S C 1.435 176.183 174.600 0.247 0.000 0.984 276 S CA -0.578 57.692 58.200 0.117 0.000 1.001 276 S CB 0.120 63.383 63.200 0.105 0.000 0.788 276 S HN 0.319 nan 8.310 nan 0.000 0.456 277 R N 0.444 121.090 120.500 0.245 0.000 2.100 277 R HA 0.290 4.624 4.340 -0.011 0.000 0.220 277 R C 0.111 176.666 176.300 0.425 0.000 1.091 277 R CA 0.807 57.089 56.100 0.303 0.000 0.986 277 R CB 0.212 30.669 30.300 0.262 0.000 0.888 277 R HN 0.384 nan 8.270 nan 0.000 0.444 278 V N 1.097 121.214 119.914 0.338 0.000 2.808 278 V HA 0.280 4.394 4.120 -0.011 0.000 0.308 278 V C -1.325 174.702 176.094 -0.112 0.000 1.099 278 V CA -1.189 61.220 62.300 0.183 0.000 0.920 278 V CB 1.849 33.716 31.823 0.073 0.000 1.014 278 V HN 0.138 nan 8.190 nan 0.000 0.425 279 L N 7.015 127.969 121.223 -0.448 0.000 2.462 279 L HA 0.362 4.696 4.340 -0.011 0.000 0.272 279 L C -0.724 175.967 176.870 -0.298 0.000 1.166 279 L CA 0.559 54.905 54.840 -0.823 0.000 0.880 279 L CB 0.166 41.785 42.059 -0.733 0.000 1.142 279 L HN 0.688 nan 8.230 nan 0.000 0.473 280 Y N 7.258 127.460 120.300 -0.164 0.000 2.677 280 Y HA 0.144 4.688 4.550 -0.011 0.000 0.335 280 Y C -1.236 174.650 175.900 -0.024 0.000 1.162 280 Y CA -0.951 57.121 58.100 -0.046 0.000 1.483 280 Y CB 0.334 38.794 38.460 -0.001 0.000 1.209 280 Y HN 0.583 nan 8.280 nan 0.000 0.528 281 P HA -0.008 nan 4.420 nan 0.000 0.253 281 P C -0.835 176.598 177.300 0.222 0.000 1.508 281 P CA 0.266 63.464 63.100 0.163 0.000 0.883 281 P CB 0.165 32.007 31.700 0.236 0.000 1.519 282 N N 2.135 120.967 118.700 0.221 0.000 2.408 282 N HA 0.102 4.836 4.740 -0.011 0.000 0.280 282 N C -0.189 175.454 175.510 0.221 0.000 1.002 282 N CA -0.185 53.031 53.050 0.277 0.000 0.907 282 N CB 1.745 40.439 38.487 0.344 0.000 1.161 282 N HN 0.266 nan 8.380 nan 0.000 0.488 283 D N 1.507 122.025 120.400 0.196 0.000 2.256 283 D HA 0.055 4.689 4.640 -0.011 0.000 0.250 283 D C -0.245 176.118 176.300 0.106 0.000 1.093 283 D CA -0.144 53.947 54.000 0.152 0.000 0.882 283 D CB 0.697 41.590 40.800 0.155 0.000 1.185 283 D HN 0.325 nan 8.370 nan 0.000 0.437 284 N N 1.176 119.945 118.700 0.115 0.000 2.669 284 N HA -0.211 4.523 4.740 -0.011 0.000 0.266 284 N C -1.269 174.139 175.510 -0.170 0.000 1.024 284 N CA 0.913 53.998 53.050 0.059 0.000 0.766 284 N CB -0.936 37.638 38.487 0.145 0.000 0.898 284 N HN 0.383 nan 8.380 nan 0.000 0.548 285 F N -0.102 119.929 119.950 0.135 0.000 2.719 285 F HA 0.451 4.972 4.527 -0.010 0.000 0.309 285 F C -0.608 175.273 175.800 0.133 0.000 1.138 285 F CA -1.060 56.986 58.000 0.077 0.000 0.943 285 F CB 0.856 39.838 39.000 -0.030 0.000 1.304 285 F HN -0.014 nan 8.300 nan 0.000 0.445 286 F N 2.693 122.749 119.950 0.175 0.000 2.449 286 F HA 0.535 5.055 4.527 -0.011 0.000 0.342 286 F C -0.396 175.341 175.800 -0.105 0.000 1.127 286 F CA -0.704 57.284 58.000 -0.020 0.000 0.975 286 F CB 1.060 40.005 39.000 -0.093 0.000 1.146 286 F HN 0.311 nan 8.300 nan 0.000 0.444 287 E N 4.197 124.024 120.200 -0.622 0.000 2.046 287 E HA 0.238 4.581 4.350 -0.011 0.000 0.279 287 E C 0.476 176.395 176.600 -1.135 0.000 0.989 287 E CA -0.237 55.744 56.400 -0.698 0.000 0.798 287 E CB 1.390 30.887 29.700 -0.338 0.000 1.086 287 E HN 0.928 nan 8.360 nan 0.000 0.399 288 G N 4.088 112.213 108.800 -1.125 0.000 3.375 288 G HA2 -0.046 3.908 3.960 -0.011 0.000 0.247 288 G HA3 -0.046 3.908 3.960 -0.011 0.000 0.247 288 G C 0.420 175.215 174.900 -0.174 0.000 1.343 288 G CA -0.082 44.499 45.100 -0.863 0.000 1.368 288 G HN 0.066 nan 8.290 nan 0.000 0.549 289 K N 0.293 120.634 120.400 -0.098 0.000 2.130 289 K HA 0.213 4.527 4.320 -0.011 0.000 0.268 289 K C 0.767 177.459 176.600 0.153 0.000 0.983 289 K CA -0.651 55.668 56.287 0.053 0.000 0.893 289 K CB 2.259 34.785 32.500 0.044 0.000 1.066 289 K HN 0.234 nan 8.250 nan 0.000 0.450 290 E N 1.418 121.688 120.200 0.116 0.000 2.085 290 E HA -0.220 4.123 4.350 -0.011 0.000 0.194 290 E C 1.567 178.173 176.600 0.010 0.000 0.994 290 E CA 1.061 57.486 56.400 0.041 0.000 0.801 290 E CB 0.125 29.850 29.700 0.042 0.000 0.743 290 E HN 0.406 nan 8.360 nan 0.000 0.453 291 L N 1.275 122.545 121.223 0.078 0.000 2.129 291 L HA -0.212 4.121 4.340 -0.011 0.000 0.212 291 L C 2.357 179.303 176.870 0.127 0.000 1.087 291 L CA 1.642 56.555 54.840 0.123 0.000 0.757 291 L CB -0.381 41.837 42.059 0.265 0.000 0.896 291 L HN 0.027 nan 8.230 nan 0.000 0.434 292 R N -0.780 119.723 120.500 0.005 0.000 2.057 292 R HA -0.078 4.256 4.340 -0.011 0.000 0.229 292 R C 2.221 178.558 176.300 0.062 0.000 1.136 292 R CA 1.583 57.639 56.100 -0.073 0.000 0.952 292 R CB -1.103 28.995 30.300 -0.338 0.000 0.848 292 R HN 0.387 nan 8.270 nan 0.000 0.430 293 L N 1.910 123.073 121.223 -0.099 0.000 2.079 293 L HA -0.174 4.159 4.340 -0.011 0.000 0.210 293 L C 1.942 178.751 176.870 -0.103 0.000 1.081 293 L CA 1.904 56.480 54.840 -0.439 0.000 0.752 293 L CB -0.368 41.059 42.059 -1.054 0.000 0.896 293 L HN 0.071 nan 8.230 nan 0.000 0.433 294 K N -1.140 119.254 120.400 -0.011 0.000 2.097 294 K HA -0.184 4.130 4.320 -0.011 0.000 0.206 294 K C 2.080 178.827 176.600 0.245 0.000 1.049 294 K CA 1.609 57.975 56.287 0.132 0.000 0.933 294 K CB -0.174 32.246 32.500 -0.133 0.000 0.717 294 K HN 0.505 nan 8.250 nan 0.000 0.442 295 Q N 0.674 120.590 119.800 0.193 0.000 2.084 295 Q HA -0.181 4.153 4.340 -0.011 0.000 0.202 295 Q C 1.876 178.075 176.000 0.331 0.000 0.978 295 Q CA 1.426 57.398 55.803 0.283 0.000 0.844 295 Q CB 0.032 28.963 28.738 0.322 0.000 0.898 295 Q HN 0.375 nan 8.270 nan 0.000 0.426 296 E N -0.361 119.988 120.200 0.249 0.000 2.072 296 E HA -0.197 4.147 4.350 -0.011 0.000 0.191 296 E C 1.678 178.393 176.600 0.192 0.000 0.985 296 E CA 0.877 57.409 56.400 0.219 0.000 0.801 296 E CB -0.085 29.725 29.700 0.184 0.000 0.750 296 E HN 0.318 nan 8.360 nan 0.000 0.452 297 Y N 0.491 120.838 120.300 0.078 0.000 2.220 297 Y HA -0.206 4.338 4.550 -0.011 0.000 0.291 297 Y C 1.957 177.901 175.900 0.073 0.000 1.129 297 Y CA 1.016 59.118 58.100 0.003 0.000 1.161 297 Y CB -0.444 37.992 38.460 -0.039 0.000 0.997 297 Y HN 0.019 nan 8.280 nan 0.000 0.522 298 F N -0.263 119.658 119.950 -0.048 0.000 2.043 298 F HA -0.267 4.254 4.527 -0.011 0.000 0.297 298 F C 2.473 178.101 175.800 -0.286 0.000 1.121 298 F CA 2.178 60.094 58.000 -0.139 0.000 1.199 298 F CB -1.135 37.945 39.000 0.133 0.000 0.968 298 F HN -0.075 nan 8.300 nan 0.000 0.478 299 V N -0.356 119.476 119.914 -0.137 0.000 2.343 299 V HA -0.211 3.903 4.120 -0.011 0.000 0.247 299 V C 2.242 178.181 176.094 -0.258 0.000 1.051 299 V CA 1.913 64.096 62.300 -0.196 0.000 1.036 299 V CB -0.405 31.538 31.823 0.200 0.000 0.654 299 V HN 0.303 nan 8.190 nan 0.000 0.451 300 V N 0.407 120.192 119.914 -0.215 0.000 2.261 300 V HA -0.223 3.891 4.120 -0.011 0.000 0.246 300 V C 2.805 178.664 176.094 -0.391 0.000 1.047 300 V CA 2.154 64.315 62.300 -0.232 0.000 1.015 300 V CB -1.243 30.499 31.823 -0.135 0.000 0.642 300 V HN 0.667 nan 8.190 nan 0.000 0.446 301 A N 0.117 122.552 122.820 -0.642 0.000 1.870 301 A HA -0.322 3.992 4.320 -0.011 0.000 0.219 301 A C 2.391 179.638 177.584 -0.562 0.000 1.224 301 A CA 3.171 54.808 52.037 -0.666 0.000 0.650 301 A CB -1.166 17.276 19.000 -0.931 0.000 0.836 301 A HN 0.659 nan 8.150 nan 0.000 0.454 302 A N -2.037 120.294 122.820 -0.815 0.000 1.897 302 A HA 0.013 4.326 4.320 -0.011 0.000 0.215 302 A C 2.289 179.477 177.584 -0.660 0.000 1.181 302 A CA 2.157 53.600 52.037 -0.990 0.000 0.620 302 A CB -1.240 16.608 19.000 -1.919 0.000 0.821 302 A HN 0.472 nan 8.150 nan 0.000 0.443 303 T N 0.362 114.624 114.554 -0.485 0.000 2.720 303 T HA -0.141 4.203 4.350 -0.011 0.000 0.268 303 T C 1.661 176.110 174.700 -0.417 0.000 1.037 303 T CA 1.625 63.512 62.100 -0.356 0.000 1.144 303 T CB -0.308 68.315 68.868 -0.409 0.000 0.864 303 T HN 0.208 nan 8.240 nan 0.000 0.444 304 L N 1.021 122.051 121.223 -0.323 0.000 2.275 304 L HA 0.011 4.345 4.340 -0.011 0.000 0.215 304 L C 2.538 179.318 176.870 -0.150 0.000 1.119 304 L CA 1.429 56.132 54.840 -0.228 0.000 0.790 304 L CB -0.686 41.280 42.059 -0.156 0.000 0.919 304 L HN 0.308 nan 8.230 nan 0.000 0.443 305 Q N -1.159 118.550 119.800 -0.152 0.000 2.119 305 Q HA -0.201 4.133 4.340 -0.011 0.000 0.201 305 Q C 1.580 177.580 176.000 0.001 0.000 0.972 305 Q CA 1.322 57.087 55.803 -0.063 0.000 0.847 305 Q CB -0.069 28.616 28.738 -0.088 0.000 0.903 305 Q HN 0.411 nan 8.270 nan 0.000 0.433 306 D N 0.443 120.833 120.400 -0.016 0.000 2.224 306 D HA -0.045 4.589 4.640 -0.011 0.000 0.205 306 D C 1.625 177.885 176.300 -0.067 0.000 0.965 306 D CA 0.660 54.689 54.000 0.049 0.000 0.852 306 D CB 0.157 41.060 40.800 0.173 0.000 0.947 306 D HN 0.207 nan 8.370 nan 0.000 0.494 307 I N 0.084 120.519 120.570 -0.225 0.000 2.339 307 I HA -0.134 4.030 4.170 -0.011 0.000 0.245 307 I C 2.375 178.529 176.117 0.062 0.000 1.096 307 I CA 0.393 61.523 61.300 -0.283 0.000 1.408 307 I CB 0.144 37.850 38.000 -0.491 0.000 1.092 307 I HN -0.055 nan 8.210 nan 0.000 0.423 308 I N 0.228 120.883 120.570 0.142 0.000 2.315 308 I HA -0.254 3.910 4.170 -0.011 0.000 0.248 308 I C 2.737 179.026 176.117 0.286 0.000 1.117 308 I CA 0.908 62.397 61.300 0.314 0.000 1.404 308 I CB -0.490 37.659 38.000 0.247 0.000 1.071 308 I HN 0.269 nan 8.210 nan 0.000 0.419 309 R N 1.715 122.326 120.500 0.184 0.000 2.082 309 R HA -0.174 4.160 4.340 -0.011 0.000 0.234 309 R C 1.631 178.043 176.300 0.186 0.000 1.136 309 R CA 1.365 57.566 56.100 0.167 0.000 0.935 309 R CB -0.270 30.119 30.300 0.149 0.000 0.842 309 R HN 0.218 nan 8.270 nan 0.000 0.430 310 R N 0.011 120.626 120.500 0.193 0.000 3.657 310 R HA 0.015 4.349 4.340 -0.011 0.000 0.220 310 R C -0.279 176.189 176.300 0.280 0.000 1.548 310 R CA 0.122 56.350 56.100 0.214 0.000 1.465 310 R CB -0.130 30.282 30.300 0.186 0.000 1.330 310 R HN 0.293 nan 8.270 nan 0.000 0.707 311 F N 1.061 121.076 119.950 0.109 0.000 1.753 311 F HA 0.156 4.676 4.527 -0.011 0.000 0.316 311 F C 0.345 176.180 175.800 0.058 0.000 1.113 311 F CA -0.049 57.988 58.000 0.061 0.000 1.244 311 F CB 0.113 39.132 39.000 0.031 0.000 1.722 311 F HN 0.082 nan 8.300 nan 0.000 0.357 312 K N 0.837 121.223 120.400 -0.023 0.000 2.057 312 K HA -0.051 4.262 4.320 -0.011 0.000 0.207 312 K C 1.665 178.257 176.600 -0.014 0.000 1.049 312 K CA 1.815 58.039 56.287 -0.104 0.000 0.931 312 K CB -0.335 32.192 32.500 0.044 0.000 0.714 312 K HN 0.262 nan 8.250 nan 0.000 0.440 313 S N 0.929 116.672 115.700 0.071 0.000 2.500 313 S HA -0.043 4.420 4.470 -0.011 0.000 0.239 313 S C 1.064 175.714 174.600 0.084 0.000 0.989 313 S CA 0.328 58.599 58.200 0.117 0.000 0.951 313 S CB -0.039 63.287 63.200 0.211 0.000 0.759 313 S HN 0.171 nan 8.310 nan 0.000 0.523 314 S N 1.550 117.277 115.700 0.044 0.000 2.536 314 S HA 0.157 4.620 4.470 -0.011 0.000 0.248 314 S C 1.106 175.639 174.600 -0.111 0.000 1.287 314 S CA -0.250 57.951 58.200 0.002 0.000 0.978 314 S CB 0.040 63.296 63.200 0.094 0.000 0.992 314 S HN 0.137 nan 8.310 nan 0.000 0.539 315 K N 0.346 120.562 120.400 -0.306 0.000 2.632 315 K HA 0.159 4.472 4.320 -0.011 0.000 0.196 315 K C 0.522 176.675 176.600 -0.745 0.000 1.023 315 K CA 0.438 56.432 56.287 -0.488 0.000 1.098 315 K CB -0.521 31.689 32.500 -0.483 0.000 0.862 315 K HN 0.348 nan 8.250 nan 0.000 0.504 316 F N -1.243 118.563 119.950 -0.241 0.000 2.317 316 F HA 0.167 4.687 4.527 -0.011 0.000 0.290 316 F C 1.828 177.530 175.800 -0.162 0.000 1.075 316 F CA 0.042 57.897 58.000 -0.241 0.000 1.380 316 F CB -0.287 38.452 39.000 -0.435 0.000 1.093 316 F HN -0.017 nan 8.300 nan 0.000 0.524 317 G N -1.033 107.766 108.800 -0.002 0.000 3.213 317 G HA2 0.355 4.309 3.960 -0.011 0.000 0.263 317 G HA3 0.355 4.309 3.960 -0.011 0.000 0.263 317 G C -0.119 174.757 174.900 -0.040 0.000 0.829 317 G CA 0.267 45.364 45.100 -0.004 0.000 1.983 317 G HN 0.457 nan 8.290 nan 0.000 0.616 318 C N -0.599 118.659 119.300 -0.071 0.000 3.977 318 C HA 0.169 4.622 4.460 -0.011 0.000 0.336 318 C C 0.066 175.002 174.990 -0.091 0.000 1.634 318 C CA -0.364 58.600 59.018 -0.089 0.000 1.870 318 C CB -0.085 27.570 27.740 -0.141 0.000 2.018 318 C HN 0.515 nan 8.230 nan 0.000 0.479 319 R N 2.621 123.037 120.500 -0.140 0.000 2.352 319 R HA 0.411 4.745 4.340 -0.011 0.000 0.304 319 R C -1.644 174.611 176.300 -0.074 0.000 1.104 319 R CA -0.030 56.006 56.100 -0.107 0.000 0.991 319 R CB 0.187 30.407 30.300 -0.134 0.000 1.140 319 R HN 0.518 nan 8.270 nan 0.000 0.540 320 D N 3.158 123.557 120.400 -0.002 0.000 2.338 320 D HA 0.057 4.690 4.640 -0.011 0.000 0.255 320 D C -1.981 174.357 176.300 0.063 0.000 1.237 320 D CA -1.942 52.099 54.000 0.068 0.000 0.883 320 D CB 0.991 41.833 40.800 0.069 0.000 1.087 320 D HN 0.247 nan 8.370 nan 0.000 0.485 321 P HA 0.034 nan 4.420 nan 0.000 0.237 321 P C 0.254 177.597 177.300 0.071 0.000 1.788 321 P CA -0.499 62.637 63.100 0.060 0.000 1.061 321 P CB 0.231 31.974 31.700 0.071 0.000 1.967 322 V N 2.692 122.638 119.914 0.053 0.000 5.998 322 V HA -0.316 3.798 4.120 -0.011 0.000 0.253 322 V C 0.216 176.352 176.094 0.070 0.000 0.630 322 V CA 1.316 63.647 62.300 0.052 0.000 0.750 322 V CB -1.718 30.133 31.823 0.046 0.000 0.744 322 V HN 0.801 nan 8.190 nan 0.000 0.481 323 R N 1.476 122.017 120.500 0.069 0.000 3.886 323 R HA -0.126 4.207 4.340 -0.011 0.000 0.485 323 R C 0.138 176.499 176.300 0.102 0.000 0.294 323 R CA 0.674 56.822 56.100 0.080 0.000 1.518 323 R CB -0.853 29.497 30.300 0.084 0.000 1.161 323 R HN 0.647 nan 8.270 nan 0.000 0.516 324 T N 2.524 117.134 114.554 0.092 0.000 2.765 324 T HA 0.042 4.386 4.350 -0.011 0.000 0.284 324 T C 0.281 175.019 174.700 0.064 0.000 0.946 324 T CA 0.121 62.251 62.100 0.049 0.000 1.185 324 T CB -0.324 68.513 68.868 -0.051 0.000 0.887 324 T HN 0.291 nan 8.240 nan 0.000 0.532 325 N N 2.757 121.512 118.700 0.091 0.000 2.406 325 N HA 0.167 4.901 4.740 -0.011 0.000 0.251 325 N C 0.160 175.706 175.510 0.059 0.000 1.069 325 N CA -0.428 52.701 53.050 0.131 0.000 0.947 325 N CB 0.523 39.120 38.487 0.185 0.000 1.111 325 N HN 0.486 nan 8.380 nan 0.000 0.497 326 F N 1.198 121.184 119.950 0.059 0.000 2.802 326 F HA -0.029 4.491 4.527 -0.011 0.000 0.300 326 F C 1.753 177.566 175.800 0.022 0.000 1.168 326 F CA 0.367 58.378 58.000 0.019 0.000 1.433 326 F CB 0.119 39.036 39.000 -0.137 0.000 1.115 326 F HN 0.526 nan 8.300 nan 0.000 0.582 327 D N 0.331 120.852 120.400 0.202 0.000 2.133 327 D HA -0.219 4.415 4.640 -0.011 0.000 0.195 327 D C 2.198 178.592 176.300 0.158 0.000 0.997 327 D CA 1.522 55.614 54.000 0.153 0.000 0.840 327 D CB -0.167 40.716 40.800 0.138 0.000 0.947 327 D HN 0.316 nan 8.370 nan 0.000 0.452 328 A N -0.102 122.840 122.820 0.204 0.000 2.238 328 A HA -0.006 4.308 4.320 -0.011 0.000 0.208 328 A C 1.661 179.350 177.584 0.175 0.000 1.177 328 A CA -0.158 52.019 52.037 0.233 0.000 0.804 328 A CB -0.679 18.561 19.000 0.401 0.000 0.823 328 A HN 0.113 nan 8.150 nan 0.000 0.482 329 F N 1.817 121.667 119.950 -0.167 0.000 2.069 329 F HA -0.098 4.423 4.527 -0.010 0.000 0.298 329 F C -0.752 174.918 175.800 -0.217 0.000 1.113 329 F CA 2.200 59.888 58.000 -0.520 0.000 1.214 329 F CB -0.932 37.818 39.000 -0.417 0.000 0.978 329 F HN 0.184 nan 8.300 nan 0.000 0.474 330 P HA -0.131 nan 4.420 nan 0.000 0.219 330 P C 0.772 178.038 177.300 -0.056 0.000 1.146 330 P CA 1.789 64.855 63.100 -0.056 0.000 0.808 330 P CB -0.049 31.633 31.700 -0.030 0.000 0.779 331 D N -1.396 119.003 120.400 -0.001 0.000 2.340 331 D HA 0.007 4.641 4.640 -0.011 0.000 0.220 331 D C 1.373 177.695 176.300 0.037 0.000 1.039 331 D CA 0.644 54.663 54.000 0.031 0.000 0.866 331 D CB 0.233 41.076 40.800 0.072 0.000 0.913 331 D HN 0.147 nan 8.370 nan 0.000 0.523 332 K N -0.131 120.265 120.400 -0.006 0.000 2.425 332 K HA 0.204 4.518 4.320 -0.011 0.000 0.201 332 K C 0.225 176.753 176.600 -0.121 0.000 1.128 332 K CA 0.103 56.401 56.287 0.018 0.000 1.000 332 K CB 2.104 34.741 32.500 0.228 0.000 0.961 332 K HN -0.077 nan 8.250 nan 0.000 0.555 333 V N 0.934 120.666 119.914 -0.303 0.000 2.735 333 V HA 0.733 4.847 4.120 -0.011 0.000 0.310 333 V C -1.153 174.824 176.094 -0.193 0.000 1.061 333 V CA -1.211 60.885 62.300 -0.340 0.000 0.913 333 V CB 1.911 33.207 31.823 -0.878 0.000 1.005 333 V HN 0.140 nan 8.190 nan 0.000 0.428 334 A N 4.891 127.662 122.820 -0.082 0.000 2.408 334 A HA 0.907 5.221 4.320 -0.011 0.000 0.295 334 A C -1.209 176.390 177.584 0.024 0.000 1.040 334 A CA -0.428 51.605 52.037 -0.007 0.000 0.707 334 A CB 1.382 20.349 19.000 -0.056 0.000 1.235 334 A HN 1.337 nan 8.150 nan 0.000 0.418 335 I N 0.350 120.990 120.570 0.116 0.000 2.447 335 I HA 0.705 4.868 4.170 -0.011 0.000 0.287 335 I C -0.700 175.527 176.117 0.182 0.000 1.023 335 I CA -0.444 60.944 61.300 0.147 0.000 1.083 335 I CB 2.048 40.118 38.000 0.116 0.000 1.245 335 I HN 0.507 nan 8.210 nan 0.000 0.434 336 Q N 5.810 125.725 119.800 0.192 0.000 2.331 336 Q HA 0.565 4.899 4.340 -0.011 0.000 0.257 336 Q C -1.585 174.458 176.000 0.072 0.000 0.957 336 Q CA -0.266 55.702 55.803 0.275 0.000 0.923 336 Q CB 1.253 30.303 28.738 0.520 0.000 1.212 336 Q HN 0.800 nan 8.270 nan 0.000 0.443 337 L N 4.210 125.504 121.223 0.117 0.000 2.283 337 L HA 0.306 4.640 4.340 -0.011 0.000 0.287 337 L C -0.052 176.857 176.870 0.064 0.000 1.073 337 L CA -0.156 54.727 54.840 0.073 0.000 0.822 337 L CB 0.457 42.601 42.059 0.142 0.000 1.186 337 L HN 0.554 nan 8.230 nan 0.000 0.436 338 N N 4.034 122.667 118.700 -0.112 0.000 2.448 338 N HA 0.132 4.865 4.740 -0.011 0.000 0.250 338 N C -0.218 175.294 175.510 0.003 0.000 1.136 338 N CA 0.460 53.480 53.050 -0.050 0.000 0.953 338 N CB -0.136 38.198 38.487 -0.256 0.000 1.251 338 N HN 0.571 nan 8.380 nan 0.000 0.502 339 D N 0.084 120.584 120.400 0.167 0.000 4.808 339 D HA -0.214 4.419 4.640 -0.011 0.000 0.304 339 D C 0.292 176.681 176.300 0.148 0.000 2.360 339 D CA 1.452 55.537 54.000 0.142 0.000 1.222 339 D CB -0.499 40.108 40.800 -0.321 0.000 1.085 339 D HN 0.524 nan 8.370 nan 0.000 1.266 340 T N -2.195 112.393 114.554 0.056 0.000 3.148 340 T HA 0.060 4.404 4.350 -0.011 0.000 0.253 340 T C 1.613 176.378 174.700 0.108 0.000 1.134 340 T CA 1.569 63.673 62.100 0.007 0.000 1.051 340 T CB -0.519 68.331 68.868 -0.030 0.000 0.959 340 T HN 0.501 nan 8.240 nan 0.000 0.525 341 H N 2.381 121.540 119.070 0.149 0.000 2.353 341 H HA 0.014 4.564 4.556 -0.011 0.000 0.300 341 H C -0.683 174.735 175.328 0.150 0.000 1.090 341 H CA 0.784 56.937 56.048 0.174 0.000 1.327 341 H CB -0.835 29.029 29.762 0.169 0.000 1.383 341 H HN 0.415 nan 8.280 nan 0.000 0.508 342 P HA 0.023 nan 4.420 nan 0.000 0.255 342 P C 0.796 178.142 177.300 0.076 0.000 1.357 342 P CA 0.516 63.693 63.100 0.128 0.000 0.839 342 P CB 0.150 31.910 31.700 0.101 0.000 1.356 343 S N -0.601 115.136 115.700 0.061 0.000 2.465 343 S HA -0.119 4.345 4.470 -0.011 0.000 0.241 343 S C 1.746 176.354 174.600 0.013 0.000 1.000 343 S CA 0.569 58.768 58.200 -0.001 0.000 0.964 343 S CB -1.028 62.146 63.200 -0.044 0.000 0.763 343 S HN -0.008 nan 8.310 nan 0.000 0.512 344 L N 1.748 122.992 121.223 0.035 0.000 2.362 344 L HA 0.204 4.538 4.340 -0.011 0.000 0.219 344 L C 2.783 179.687 176.870 0.057 0.000 1.134 344 L CA 0.760 55.618 54.840 0.029 0.000 0.807 344 L CB -1.917 40.160 42.059 0.029 0.000 0.927 344 L HN 0.456 nan 8.230 nan 0.000 0.447 345 A N -0.142 122.698 122.820 0.032 0.000 1.958 345 A HA -0.250 4.063 4.320 -0.011 0.000 0.221 345 A C 2.320 179.913 177.584 0.016 0.000 1.178 345 A CA 1.998 54.043 52.037 0.013 0.000 0.642 345 A CB -0.533 18.470 19.000 0.004 0.000 0.816 345 A HN 0.415 nan 8.150 nan 0.000 0.453 346 I N 0.048 120.630 120.570 0.019 0.000 2.133 346 I HA -0.120 4.043 4.170 -0.011 0.000 0.238 346 I C -0.422 175.727 176.117 0.054 0.000 1.074 346 I CA 1.378 62.690 61.300 0.019 0.000 1.342 346 I CB -0.989 37.023 38.000 0.021 0.000 1.053 346 I HN 0.235 nan 8.210 nan 0.000 0.404 347 P HA -0.144 nan 4.420 nan 0.000 0.229 347 P C 1.141 178.486 177.300 0.075 0.000 1.160 347 P CA 1.366 64.519 63.100 0.089 0.000 0.777 347 P CB 0.086 31.853 31.700 0.111 0.000 0.814 348 E N 0.193 120.498 120.200 0.174 0.000 2.112 348 E HA -0.095 4.249 4.350 -0.011 0.000 0.190 348 E C 1.825 178.419 176.600 -0.010 0.000 0.979 348 E CA 0.458 56.964 56.400 0.176 0.000 0.814 348 E CB -1.109 28.760 29.700 0.281 0.000 0.762 348 E HN -0.007 nan 8.360 nan 0.000 0.460 349 L N 0.027 121.218 121.223 -0.054 0.000 2.093 349 L HA -0.012 4.321 4.340 -0.011 0.000 0.208 349 L C 1.904 178.642 176.870 -0.220 0.000 1.085 349 L CA 1.544 56.293 54.840 -0.152 0.000 0.755 349 L CB -0.520 41.461 42.059 -0.131 0.000 0.904 349 L HN 0.196 nan 8.230 nan 0.000 0.435 350 M N -0.781 118.719 119.600 -0.168 0.000 2.159 350 M HA -0.191 4.283 4.480 -0.011 0.000 0.263 350 M C 2.403 178.578 176.300 -0.208 0.000 1.063 350 M CA 1.417 56.593 55.300 -0.208 0.000 1.110 350 M CB -1.177 31.330 32.600 -0.154 0.000 1.374 350 M HN 0.318 nan 8.290 nan 0.000 0.411 351 R N -0.255 120.128 120.500 -0.195 0.000 2.062 351 R HA -0.084 4.249 4.340 -0.011 0.000 0.231 351 R C 2.130 178.333 176.300 -0.163 0.000 1.136 351 R CA 1.277 57.250 56.100 -0.212 0.000 0.948 351 R CB -0.096 30.017 30.300 -0.312 0.000 0.845 351 R HN 0.177 nan 8.270 nan 0.000 0.430 352 V N 1.526 121.347 119.914 -0.155 0.000 2.343 352 V HA -0.260 3.854 4.120 -0.011 0.000 0.247 352 V C 2.365 178.307 176.094 -0.252 0.000 1.051 352 V CA 1.659 63.861 62.300 -0.163 0.000 1.036 352 V CB -0.359 31.371 31.823 -0.155 0.000 0.654 352 V HN 0.351 nan 8.190 nan 0.000 0.451 353 L N -0.962 120.050 121.223 -0.352 0.000 2.072 353 L HA -0.099 4.235 4.340 -0.011 0.000 0.205 353 L C 2.415 179.113 176.870 -0.287 0.000 1.079 353 L CA 1.071 55.639 54.840 -0.454 0.000 0.752 353 L CB -0.498 41.230 42.059 -0.552 0.000 0.906 353 L HN 0.194 nan 8.230 nan 0.000 0.436 354 V N -0.418 119.371 119.914 -0.209 0.000 2.331 354 V HA -0.192 3.921 4.120 -0.011 0.000 0.242 354 V C 1.976 178.025 176.094 -0.075 0.000 1.034 354 V CA 1.670 63.901 62.300 -0.114 0.000 1.027 354 V CB -0.237 31.535 31.823 -0.084 0.000 0.667 354 V HN 0.355 nan 8.190 nan 0.000 0.457 355 D N -0.211 120.139 120.400 -0.083 0.000 2.137 355 D HA -0.014 4.620 4.640 -0.011 0.000 0.202 355 D C 2.040 178.311 176.300 -0.048 0.000 0.970 355 D CA 1.205 55.172 54.000 -0.055 0.000 0.837 355 D CB 0.047 40.810 40.800 -0.061 0.000 0.981 355 D HN 0.309 nan 8.370 nan 0.000 0.475 356 L N -0.264 120.918 121.223 -0.068 0.000 2.269 356 L HA 0.129 4.463 4.340 -0.011 0.000 0.200 356 L C 1.972 178.815 176.870 -0.045 0.000 1.069 356 L CA 0.506 55.318 54.840 -0.046 0.000 0.804 356 L CB -0.090 41.944 42.059 -0.041 0.000 0.987 356 L HN -0.163 nan 8.230 nan 0.000 0.468 357 E N 0.540 120.682 120.200 -0.096 0.000 2.442 357 E HA 0.001 4.345 4.350 -0.011 0.000 0.195 357 E C 0.128 176.693 176.600 -0.059 0.000 1.030 357 E CA 0.010 56.360 56.400 -0.082 0.000 0.869 357 E CB 0.236 29.796 29.700 -0.234 0.000 0.857 357 E HN 0.101 nan 8.360 nan 0.000 0.505 358 R N -0.888 119.571 120.500 -0.069 0.000 3.656 358 R HA -0.205 4.128 4.340 -0.011 0.000 0.297 358 R C -0.672 175.612 176.300 -0.026 0.000 1.166 358 R CA 0.187 56.267 56.100 -0.033 0.000 0.799 358 R CB -2.507 27.791 30.300 -0.002 0.000 1.285 358 R HN 0.072 nan 8.270 nan 0.000 0.477 359 L N 1.157 122.340 121.223 -0.067 0.000 2.475 359 L HA 0.173 4.506 4.340 -0.011 0.000 0.253 359 L C 1.179 178.042 176.870 -0.012 0.000 1.198 359 L CA 0.346 55.160 54.840 -0.045 0.000 0.814 359 L CB 0.316 42.314 42.059 -0.102 0.000 1.134 359 L HN 0.010 nan 8.230 nan 0.000 0.478 360 D N -0.575 119.839 120.400 0.022 0.000 2.372 360 D HA -0.104 4.530 4.640 -0.011 0.000 0.243 360 D C 0.491 176.856 176.300 0.109 0.000 1.121 360 D CA -0.083 53.965 54.000 0.080 0.000 0.898 360 D CB 0.717 41.569 40.800 0.086 0.000 1.202 360 D HN 0.595 nan 8.370 nan 0.000 0.428 361 W N 2.219 123.523 121.300 0.006 0.000 2.333 361 W HA -0.186 4.468 4.660 -0.010 0.000 0.316 361 W C 1.708 178.274 176.519 0.078 0.000 1.215 361 W CA 1.369 58.724 57.345 0.017 0.000 1.278 361 W CB 0.034 29.483 29.460 -0.018 0.000 1.154 361 W HN 0.418 nan 8.180 nan 0.000 0.486 362 D N -0.101 120.594 120.400 0.492 0.000 2.218 362 D HA -0.197 4.437 4.640 -0.011 0.000 0.204 362 D C 2.003 178.429 176.300 0.210 0.000 0.976 362 D CA 1.119 55.363 54.000 0.408 0.000 0.853 362 D CB -0.232 40.756 40.800 0.314 0.000 0.939 362 D HN 0.132 nan 8.370 nan 0.000 0.481 363 K N 1.084 121.550 120.400 0.109 0.000 2.076 363 K HA 0.020 4.334 4.320 -0.011 0.000 0.204 363 K C 1.949 178.526 176.600 -0.039 0.000 1.051 363 K CA 0.643 56.955 56.287 0.042 0.000 0.949 363 K CB -0.117 32.399 32.500 0.027 0.000 0.726 363 K HN -0.015 nan 8.250 nan 0.000 0.443 364 A N 0.561 123.315 122.820 -0.110 0.000 1.969 364 A HA -0.162 4.152 4.320 -0.011 0.000 0.218 364 A C 2.042 179.490 177.584 -0.228 0.000 1.169 364 A CA 0.937 52.835 52.037 -0.232 0.000 0.635 364 A CB -0.866 17.948 19.000 -0.311 0.000 0.810 364 A HN 0.611 nan 8.150 nan 0.000 0.445 365 W N 0.640 121.677 121.300 -0.437 0.000 2.418 365 W HA -0.117 4.537 4.660 -0.010 0.000 0.292 365 W C 1.911 178.329 176.519 -0.169 0.000 1.213 365 W CA 1.622 58.715 57.345 -0.420 0.000 1.283 365 W CB -0.001 29.121 29.460 -0.563 0.000 1.119 365 W HN 0.598 nan 8.180 nan 0.000 0.542 366 E N 0.118 120.237 120.200 -0.135 0.000 2.072 366 E HA -0.195 4.149 4.350 -0.011 0.000 0.191 366 E C 2.078 178.565 176.600 -0.189 0.000 0.985 366 E CA 1.515 57.829 56.400 -0.142 0.000 0.801 366 E CB -0.273 29.424 29.700 -0.005 0.000 0.750 366 E HN 0.017 nan 8.360 nan 0.000 0.452 367 V N 0.928 120.749 119.914 -0.155 0.000 2.255 367 V HA -0.282 3.832 4.120 -0.011 0.000 0.247 367 V C 2.426 178.419 176.094 -0.168 0.000 1.051 367 V CA 2.295 64.523 62.300 -0.120 0.000 1.018 367 V CB -0.824 30.919 31.823 -0.135 0.000 0.641 367 V HN 0.398 nan 8.190 nan 0.000 0.445 368 T N -0.210 114.170 114.554 -0.290 0.000 2.720 368 T HA -0.192 4.151 4.350 -0.011 0.000 0.268 368 T C 1.889 176.400 174.700 -0.316 0.000 1.037 368 T CA 1.759 63.678 62.100 -0.301 0.000 1.144 368 T CB -0.298 68.321 68.868 -0.414 0.000 0.864 368 T HN 0.270 nan 8.240 nan 0.000 0.444 369 V N 1.104 120.724 119.914 -0.489 0.000 2.358 369 V HA -0.114 4.000 4.120 -0.011 0.000 0.246 369 V C 2.383 178.382 176.094 -0.159 0.000 1.047 369 V CA 1.536 63.615 62.300 -0.367 0.000 1.035 369 V CB -0.423 31.081 31.823 -0.530 0.000 0.658 369 V HN 0.428 nan 8.190 nan 0.000 0.452 370 K N -0.176 120.090 120.400 -0.224 0.000 2.280 370 K HA -0.145 4.169 4.320 -0.011 0.000 0.202 370 K C 2.119 178.542 176.600 -0.297 0.000 1.047 370 K CA 1.674 57.763 56.287 -0.331 0.000 0.942 370 K CB -0.215 32.160 32.500 -0.208 0.000 0.739 370 K HN 0.617 nan 8.250 nan 0.000 0.457 371 T N -1.743 112.771 114.554 -0.067 0.000 3.015 371 T HA 0.080 4.424 4.350 -0.011 0.000 0.250 371 T C 0.593 175.394 174.700 0.169 0.000 1.057 371 T CA -0.250 61.871 62.100 0.037 0.000 1.066 371 T CB 0.032 68.938 68.868 0.064 0.000 0.959 371 T HN 0.041 nan 8.240 nan 0.000 0.488 372 C N 2.535 121.942 119.300 0.178 0.000 2.365 372 C HA 0.933 5.387 4.460 -0.011 0.000 0.351 372 C C 0.544 175.662 174.990 0.214 0.000 1.240 372 C CA -0.735 58.385 59.018 0.170 0.000 2.062 372 C CB 0.393 28.163 27.740 0.049 0.000 2.387 372 C HN 0.742 nan 8.230 nan 0.000 0.537 373 A N 1.992 124.905 122.820 0.155 0.000 2.539 373 A HA 0.780 5.094 4.320 -0.011 0.000 0.296 373 A C -1.725 175.956 177.584 0.161 0.000 1.073 373 A CA -0.374 51.691 52.037 0.047 0.000 0.700 373 A CB 1.203 20.225 19.000 0.037 0.000 1.296 373 A HN 0.920 nan 8.150 nan 0.000 0.405 374 Y N 0.860 121.137 120.300 -0.038 0.000 2.391 374 Y HA 0.663 5.207 4.550 -0.010 0.000 0.341 374 Y C -0.558 175.351 175.900 0.015 0.000 0.965 374 Y CA -0.620 57.469 58.100 -0.018 0.000 1.067 374 Y CB 1.994 40.398 38.460 -0.093 0.000 1.199 374 Y HN 0.575 nan 8.280 nan 0.000 0.450 375 T N 6.675 121.112 114.554 -0.196 0.000 2.749 375 T HA 0.225 4.569 4.350 -0.011 0.000 0.287 375 T C -0.542 173.800 174.700 -0.597 0.000 0.970 375 T CA -0.755 61.163 62.100 -0.305 0.000 0.980 375 T CB 0.304 69.179 68.868 0.013 0.000 0.924 375 T HN 0.655 nan 8.240 nan 0.000 0.456 376 N N 1.743 120.055 118.700 -0.647 0.000 2.455 376 N HA 0.103 4.836 4.740 -0.011 0.000 0.280 376 N C 0.191 175.618 175.510 -0.137 0.000 1.055 376 N CA -0.293 52.556 53.050 -0.336 0.000 0.961 376 N CB 0.729 39.160 38.487 -0.094 0.000 1.121 376 N HN 0.657 nan 8.380 nan 0.000 0.476 377 H N 1.201 120.276 119.070 0.008 0.000 2.827 377 H HA 0.152 4.702 4.556 -0.011 0.000 0.269 377 H C -0.135 175.114 175.328 -0.132 0.000 1.031 377 H CA 0.154 56.158 56.048 -0.074 0.000 1.202 377 H CB 1.214 30.948 29.762 -0.045 0.000 1.511 377 H HN 0.495 nan 8.280 nan 0.000 0.517 378 T N -0.123 114.478 114.554 0.078 0.000 2.786 378 T HA 0.226 4.570 4.350 -0.011 0.000 0.316 378 T C 0.695 175.462 174.700 0.113 0.000 1.503 378 T CA -0.282 61.831 62.100 0.021 0.000 1.019 378 T CB 1.328 70.184 68.868 -0.021 0.000 1.415 378 T HN -0.046 nan 8.240 nan 0.000 0.496 379 V N 0.978 120.911 119.914 0.030 0.000 3.621 379 V HA 0.507 4.621 4.120 -0.011 0.000 0.263 379 V C 0.890 176.950 176.094 -0.058 0.000 1.272 379 V CA 0.205 62.489 62.300 -0.026 0.000 1.080 379 V CB -0.619 31.180 31.823 -0.039 0.000 0.816 379 V HN 0.745 nan 8.190 nan 0.000 0.451 380 I N 1.906 122.428 120.570 -0.081 0.000 2.533 380 I HA 0.229 4.393 4.170 -0.011 0.000 0.284 380 I C -0.631 175.487 176.117 0.001 0.000 1.109 380 I CA -1.517 59.753 61.300 -0.051 0.000 1.412 380 I CB 0.279 38.217 38.000 -0.103 0.000 1.396 380 I HN 0.033 nan 8.210 nan 0.000 0.543 381 P HA -0.232 nan 4.420 nan 0.000 0.218 381 P C 1.052 178.392 177.300 0.067 0.000 1.148 381 P CA 1.502 64.620 63.100 0.030 0.000 0.822 381 P CB 0.031 31.748 31.700 0.029 0.000 0.784 382 E N 0.631 120.900 120.200 0.115 0.000 2.268 382 E HA -0.085 4.259 4.350 -0.011 0.000 0.195 382 E C 1.795 178.524 176.600 0.215 0.000 0.995 382 E CA 1.197 57.711 56.400 0.190 0.000 0.836 382 E CB -0.946 28.918 29.700 0.274 0.000 0.763 382 E HN 0.220 nan 8.360 nan 0.000 0.491 383 A N 0.881 123.784 122.820 0.138 0.000 2.123 383 A HA 0.169 4.483 4.320 -0.011 0.000 0.214 383 A C 1.204 178.844 177.584 0.093 0.000 1.152 383 A CA -0.192 51.936 52.037 0.150 0.000 0.728 383 A CB -0.193 18.862 19.000 0.092 0.000 0.814 383 A HN 0.185 nan 8.150 nan 0.000 0.464 384 L N 1.023 122.244 121.223 -0.004 0.000 2.426 384 L HA 0.154 4.487 4.340 -0.011 0.000 0.271 384 L C 0.150 176.673 176.870 -0.579 0.000 1.169 384 L CA 0.295 55.042 54.840 -0.156 0.000 0.836 384 L CB 0.706 42.703 42.059 -0.104 0.000 1.112 384 L HN 0.299 nan 8.230 nan 0.000 0.465 385 E N 4.158 123.896 120.200 -0.770 0.000 2.167 385 E HA 0.352 4.696 4.350 -0.011 0.000 0.284 385 E C -0.666 175.317 176.600 -1.028 0.000 1.016 385 E CA -0.344 55.112 56.400 -1.572 0.000 0.817 385 E CB 0.821 29.971 29.700 -0.916 0.000 1.080 385 E HN 0.329 nan 8.360 nan 0.000 0.397 386 R N 3.355 123.168 120.500 -1.146 0.000 2.472 386 R HA 0.202 4.536 4.340 -0.011 0.000 0.294 386 R C -1.384 174.853 176.300 -0.105 0.000 1.243 386 R CA -0.479 55.397 56.100 -0.373 0.000 1.023 386 R CB 0.871 31.056 30.300 -0.193 0.000 1.157 386 R HN 0.497 nan 8.270 nan 0.000 0.530 387 W N 4.996 126.311 121.300 0.025 0.000 2.335 387 W HA 0.277 4.931 4.660 -0.011 0.000 0.306 387 W C -1.901 174.606 176.519 -0.020 0.000 1.216 387 W CA -2.248 55.143 57.345 0.078 0.000 1.237 387 W CB 1.096 30.569 29.460 0.022 0.000 1.243 387 W HN 0.254 nan 8.180 nan 0.000 0.493 388 P HA -0.112 nan 4.420 nan 0.000 0.261 388 P C 0.858 178.112 177.300 -0.077 0.000 1.183 388 P CA 0.315 63.407 63.100 -0.013 0.000 0.761 388 P CB 0.706 32.251 31.700 -0.259 0.000 0.785 389 V N 3.633 123.553 119.914 0.010 0.000 2.317 389 V HA -0.313 3.800 4.120 -0.011 0.000 0.251 389 V C 2.172 178.274 176.094 0.013 0.000 1.065 389 V CA 2.660 64.972 62.300 0.020 0.000 1.049 389 V CB -1.706 30.188 31.823 0.117 0.000 0.651 389 V HN 0.774 nan 8.190 nan 0.000 0.450 390 H N 0.611 119.729 119.070 0.080 0.000 2.457 390 H HA -0.152 4.397 4.556 -0.010 0.000 0.297 390 H C 1.907 177.265 175.328 0.050 0.000 1.092 390 H CA 2.208 58.295 56.048 0.066 0.000 1.309 390 H CB -0.529 29.275 29.762 0.069 0.000 1.382 390 H HN 0.524 nan 8.280 nan 0.000 0.535 391 L N -1.380 119.735 121.223 -0.180 0.000 2.463 391 L HA 0.241 4.575 4.340 -0.011 0.000 0.219 391 L C 1.608 178.407 176.870 -0.118 0.000 1.088 391 L CA 0.460 55.262 54.840 -0.062 0.000 0.849 391 L CB -0.194 41.809 42.059 -0.094 0.000 1.012 391 L HN 0.260 nan 8.230 nan 0.000 0.468 392 L N 0.795 121.926 121.223 -0.154 0.000 2.141 392 L HA -0.134 4.200 4.340 -0.011 0.000 0.209 392 L C 2.748 179.524 176.870 -0.155 0.000 1.094 392 L CA 1.572 56.288 54.840 -0.206 0.000 0.763 392 L CB -0.476 41.456 42.059 -0.213 0.000 0.908 392 L HN 0.460 nan 8.230 nan 0.000 0.437 393 E N 0.033 120.188 120.200 -0.075 0.000 2.038 393 E HA -0.217 4.127 4.350 -0.011 0.000 0.195 393 E C 1.936 178.544 176.600 0.013 0.000 1.000 393 E CA 2.068 58.456 56.400 -0.020 0.000 0.803 393 E CB 0.068 29.798 29.700 0.050 0.000 0.750 393 E HN 0.392 nan 8.360 nan 0.000 0.448 394 T N 1.443 116.026 114.554 0.048 0.000 2.639 394 T HA -0.156 4.188 4.350 -0.011 0.000 0.261 394 T C 1.830 176.567 174.700 0.061 0.000 1.053 394 T CA 1.326 63.488 62.100 0.105 0.000 1.158 394 T CB -0.339 68.620 68.868 0.151 0.000 0.863 394 T HN 0.132 nan 8.240 nan 0.000 0.413 395 L N -0.145 121.024 121.223 -0.089 0.000 2.313 395 L HA 0.309 4.643 4.340 -0.011 0.000 0.214 395 L C 0.432 177.200 176.870 -0.171 0.000 1.119 395 L CA 1.498 56.170 54.840 -0.280 0.000 0.809 395 L CB -0.026 41.841 42.059 -0.321 0.000 0.933 395 L HN 0.209 nan 8.230 nan 0.000 0.449 396 L N 0.644 121.744 121.223 -0.206 0.000 2.527 396 L HA 0.275 4.608 4.340 -0.011 0.000 0.261 396 L C -1.767 174.873 176.870 -0.385 0.000 1.534 396 L CA -0.644 53.976 54.840 -0.368 0.000 0.757 396 L CB 0.958 42.669 42.059 -0.579 0.000 0.999 396 L HN -0.087 nan 8.230 nan 0.000 0.517 397 P HA -0.134 nan 4.420 nan 0.000 0.223 397 P C 1.367 178.449 177.300 -0.363 0.000 1.151 397 P CA 0.880 63.837 63.100 -0.239 0.000 0.787 397 P CB 0.440 32.102 31.700 -0.063 0.000 0.788 398 R N -0.054 120.034 120.500 -0.687 0.000 2.093 398 R HA -0.082 4.252 4.340 -0.011 0.000 0.224 398 R C 2.241 178.260 176.300 -0.467 0.000 1.101 398 R CA 1.491 57.245 56.100 -0.575 0.000 0.979 398 R CB -1.483 28.348 30.300 -0.781 0.000 0.877 398 R HN 0.209 nan 8.270 nan 0.000 0.441 399 H N -0.360 118.393 119.070 -0.527 0.000 2.423 399 H HA -0.026 4.524 4.556 -0.011 0.000 0.297 399 H C 1.749 176.889 175.328 -0.313 0.000 1.075 399 H CA 1.568 57.390 56.048 -0.378 0.000 1.342 399 H CB -0.030 29.476 29.762 -0.427 0.000 1.395 399 H HN 0.078 nan 8.280 nan 0.000 0.530 400 L N 0.440 121.522 121.223 -0.235 0.000 2.046 400 L HA -0.260 4.074 4.340 -0.011 0.000 0.208 400 L C 1.896 178.548 176.870 -0.363 0.000 1.077 400 L CA 1.608 56.230 54.840 -0.364 0.000 0.747 400 L CB -0.272 41.574 42.059 -0.355 0.000 0.896 400 L HN 0.447 nan 8.230 nan 0.000 0.432 401 Q N -0.399 119.306 119.800 -0.157 0.000 2.084 401 Q HA -0.208 4.126 4.340 -0.011 0.000 0.202 401 Q C 2.179 178.191 176.000 0.020 0.000 0.978 401 Q CA 1.508 57.316 55.803 0.008 0.000 0.844 401 Q CB -0.024 28.727 28.738 0.022 0.000 0.898 401 Q HN 0.547 nan 8.270 nan 0.000 0.426 402 I N 0.335 120.882 120.570 -0.038 0.000 2.202 402 I HA -0.276 3.888 4.170 -0.011 0.000 0.242 402 I C 2.151 178.300 176.117 0.054 0.000 1.091 402 I CA 1.096 62.418 61.300 0.036 0.000 1.368 402 I CB -0.212 37.761 38.000 -0.045 0.000 1.058 402 I HN 0.203 nan 8.210 nan 0.000 0.410 403 I N -0.294 120.259 120.570 -0.030 0.000 2.226 403 I HA -0.323 3.841 4.170 -0.011 0.000 0.245 403 I C 2.468 178.613 176.117 0.047 0.000 1.100 403 I CA 1.496 62.781 61.300 -0.026 0.000 1.374 403 I CB -0.425 37.500 38.000 -0.126 0.000 1.057 403 I HN 0.172 nan 8.210 nan 0.000 0.413 404 Y N 0.829 121.134 120.300 0.008 0.000 2.224 404 Y HA -0.257 4.287 4.550 -0.011 0.000 0.289 404 Y C 2.586 178.468 175.900 -0.030 0.000 1.146 404 Y CA 1.373 59.471 58.100 -0.003 0.000 1.182 404 Y CB -0.756 37.696 38.460 -0.013 0.000 0.983 404 Y HN 0.188 nan 8.280 nan 0.000 0.524 405 E N 0.407 120.679 120.200 0.119 0.000 2.047 405 E HA -0.129 4.215 4.350 -0.011 0.000 0.191 405 E C 2.120 178.660 176.600 -0.100 0.000 0.987 405 E CA 1.259 57.632 56.400 -0.046 0.000 0.799 405 E CB -0.526 29.139 29.700 -0.058 0.000 0.752 405 E HN 0.452 nan 8.360 nan 0.000 0.449 406 I N 0.786 121.383 120.570 0.044 0.000 2.163 406 I HA -0.307 3.856 4.170 -0.011 0.000 0.243 406 I C 2.282 178.415 176.117 0.027 0.000 1.085 406 I CA 1.434 62.730 61.300 -0.006 0.000 1.347 406 I CB -0.491 37.503 38.000 -0.010 0.000 1.044 406 I HN 0.204 nan 8.210 nan 0.000 0.408 407 N N 0.913 119.670 118.700 0.096 0.000 2.061 407 N HA -0.288 4.446 4.740 -0.011 0.000 0.193 407 N C 1.852 177.452 175.510 0.150 0.000 1.030 407 N CA 1.740 54.894 53.050 0.172 0.000 0.856 407 N CB -0.180 38.422 38.487 0.193 0.000 1.023 407 N HN 0.319 nan 8.380 nan 0.000 0.424 408 Q N -0.020 119.807 119.800 0.045 0.000 2.030 408 Q HA -0.099 4.234 4.340 -0.011 0.000 0.204 408 Q C 1.994 177.960 176.000 -0.057 0.000 0.986 408 Q CA 1.717 57.504 55.803 -0.028 0.000 0.843 408 Q CB -0.009 28.673 28.738 -0.094 0.000 0.904 408 Q HN 0.380 nan 8.270 nan 0.000 0.420 409 R N -0.910 119.517 120.500 -0.120 0.000 2.148 409 R HA -0.076 4.257 4.340 -0.011 0.000 0.223 409 R C 2.103 178.415 176.300 0.020 0.000 1.088 409 R CA 0.942 56.954 56.100 -0.146 0.000 0.985 409 R CB -0.251 29.819 30.300 -0.382 0.000 0.880 409 R HN 0.286 nan 8.270 nan 0.000 0.451 410 F N 1.527 121.453 119.950 -0.040 0.000 2.084 410 F HA -0.078 4.443 4.527 -0.011 0.000 0.296 410 F C 1.788 177.615 175.800 0.045 0.000 1.111 410 F CA 1.336 59.367 58.000 0.052 0.000 1.224 410 F CB -0.195 38.868 39.000 0.105 0.000 0.991 410 F HN -0.148 nan 8.300 nan 0.000 0.471 411 L N 0.171 121.359 121.223 -0.058 0.000 2.275 411 L HA -0.179 4.155 4.340 -0.011 0.000 0.215 411 L C 1.905 178.698 176.870 -0.127 0.000 1.119 411 L CA 0.700 55.453 54.840 -0.144 0.000 0.790 411 L CB -0.795 41.263 42.059 -0.001 0.000 0.919 411 L HN 0.141 nan 8.230 nan 0.000 0.443 412 N N 0.252 118.899 118.700 -0.089 0.000 2.381 412 N HA -0.109 4.624 4.740 -0.011 0.000 0.182 412 N C 1.882 177.341 175.510 -0.085 0.000 1.025 412 N CA 0.918 53.921 53.050 -0.078 0.000 0.888 412 N CB -0.022 38.421 38.487 -0.073 0.000 0.965 412 N HN 0.317 nan 8.380 nan 0.000 0.438 413 R N -0.197 120.232 120.500 -0.118 0.000 2.062 413 R HA 0.087 4.421 4.340 -0.011 0.000 0.226 413 R C 2.039 178.265 176.300 -0.123 0.000 1.125 413 R CA 0.563 56.600 56.100 -0.106 0.000 0.966 413 R CB -0.326 29.915 30.300 -0.098 0.000 0.861 413 R HN -0.015 nan 8.270 nan 0.000 0.433 414 V N 1.280 121.062 119.914 -0.220 0.000 2.287 414 V HA -0.286 3.828 4.120 -0.011 0.000 0.248 414 V C 2.440 178.549 176.094 0.024 0.000 1.053 414 V CA 2.138 64.375 62.300 -0.104 0.000 1.027 414 V CB -0.710 30.915 31.823 -0.331 0.000 0.646 414 V HN 0.431 nan 8.190 nan 0.000 0.447 415 A N -0.184 122.615 122.820 -0.035 0.000 1.908 415 A HA -0.138 4.176 4.320 -0.011 0.000 0.218 415 A C 2.357 179.929 177.584 -0.019 0.000 1.181 415 A CA 2.141 54.172 52.037 -0.011 0.000 0.627 415 A CB -0.758 18.224 19.000 -0.031 0.000 0.818 415 A HN 0.614 nan 8.150 nan 0.000 0.445 416 A N -0.820 121.972 122.820 -0.046 0.000 2.066 416 A HA 0.314 4.627 4.320 -0.011 0.000 0.218 416 A C 2.268 179.790 177.584 -0.104 0.000 1.157 416 A CA 1.716 53.716 52.037 -0.062 0.000 0.670 416 A CB -0.544 18.422 19.000 -0.058 0.000 0.804 416 A HN 0.955 nan 8.150 nan 0.000 0.453 417 A N -1.845 120.893 122.820 -0.136 0.000 1.997 417 A HA 0.458 4.772 4.320 -0.011 0.000 0.212 417 A C 0.458 177.706 177.584 -0.560 0.000 1.178 417 A CA 0.394 52.213 52.037 -0.363 0.000 0.698 417 A CB 0.018 18.748 19.000 -0.450 0.000 0.842 417 A HN 0.380 nan 8.150 nan 0.000 0.458 418 F N 1.135 121.036 119.950 -0.082 0.000 2.523 418 F HA 0.297 4.818 4.527 -0.011 0.000 0.322 418 F C -2.530 173.232 175.800 -0.063 0.000 1.361 418 F CA -2.744 55.213 58.000 -0.073 0.000 1.151 418 F CB 1.270 40.217 39.000 -0.089 0.000 1.391 418 F HN 0.031 nan 8.300 nan 0.000 0.566 419 P HA 0.235 nan 4.420 nan 0.000 0.276 419 P C 0.871 178.185 177.300 0.023 0.000 1.235 419 P CA 0.813 63.920 63.100 0.012 0.000 0.772 419 P CB 1.739 33.425 31.700 -0.023 0.000 0.871 420 G N 2.862 111.671 108.800 0.016 0.000 2.284 420 G HA2 -0.238 3.716 3.960 -0.011 0.000 0.247 420 G HA3 -0.238 3.716 3.960 -0.011 0.000 0.247 420 G C 0.324 175.234 174.900 0.018 0.000 1.012 420 G CA 0.191 45.298 45.100 0.012 0.000 0.618 420 G HN 0.627 nan 8.290 nan 0.000 0.521 421 D N 1.538 121.961 120.400 0.037 0.000 2.498 421 D HA 0.426 5.059 4.640 -0.011 0.000 0.229 421 D C 1.737 178.033 176.300 -0.006 0.000 1.188 421 D CA 0.315 54.329 54.000 0.023 0.000 1.028 421 D CB 0.554 41.381 40.800 0.045 0.000 1.087 421 D HN 0.115 nan 8.370 nan 0.000 0.510 422 V N 2.841 122.751 119.914 -0.006 0.000 2.490 422 V HA -0.226 3.887 4.120 -0.011 0.000 0.250 422 V C 1.913 177.997 176.094 -0.016 0.000 1.061 422 V CA 1.824 64.118 62.300 -0.010 0.000 1.064 422 V CB -0.273 31.548 31.823 -0.004 0.000 0.670 422 V HN 0.467 nan 8.190 nan 0.000 0.461 423 D N -0.915 119.473 120.400 -0.021 0.000 2.234 423 D HA -0.103 4.530 4.640 -0.011 0.000 0.205 423 D C 2.311 178.586 176.300 -0.042 0.000 0.962 423 D CA 0.454 54.442 54.000 -0.020 0.000 0.855 423 D CB -0.007 40.783 40.800 -0.017 0.000 0.951 423 D HN 0.208 nan 8.370 nan 0.000 0.500 424 R N -0.296 120.154 120.500 -0.083 0.000 2.097 424 R HA -0.172 4.162 4.340 -0.011 0.000 0.236 424 R C 1.897 178.125 176.300 -0.120 0.000 1.135 424 R CA 1.207 57.213 56.100 -0.156 0.000 0.934 424 R CB -0.355 29.800 30.300 -0.240 0.000 0.846 424 R HN 0.181 nan 8.270 nan 0.000 0.431 425 L N 0.761 121.936 121.223 -0.080 0.000 2.129 425 L HA -0.202 4.132 4.340 -0.011 0.000 0.212 425 L C 2.343 179.221 176.870 0.014 0.000 1.087 425 L CA 1.797 56.613 54.840 -0.041 0.000 0.757 425 L CB -0.416 41.628 42.059 -0.025 0.000 0.896 425 L HN 0.212 nan 8.230 nan 0.000 0.434 426 R N -1.405 119.108 120.500 0.022 0.000 2.127 426 R HA 0.046 4.380 4.340 -0.011 0.000 0.217 426 R C 2.245 178.607 176.300 0.104 0.000 1.074 426 R CA 0.411 56.548 56.100 0.061 0.000 0.991 426 R CB -0.314 30.017 30.300 0.051 0.000 0.895 426 R HN 0.273 nan 8.270 nan 0.000 0.450 427 R N 0.533 121.079 120.500 0.077 0.000 2.092 427 R HA 0.024 4.358 4.340 -0.011 0.000 0.231 427 R C 2.148 178.576 176.300 0.215 0.000 1.119 427 R CA 1.362 57.540 56.100 0.130 0.000 0.970 427 R CB -0.167 30.165 30.300 0.053 0.000 0.864 427 R HN 0.217 nan 8.270 nan 0.000 0.440 428 M N 0.260 119.902 119.600 0.070 0.000 2.288 428 M HA -0.014 4.460 4.480 -0.011 0.000 0.266 428 M C 0.933 177.449 176.300 0.361 0.000 1.072 428 M CA 0.411 55.733 55.300 0.038 0.000 1.132 428 M CB 0.090 32.599 32.600 -0.152 0.000 1.386 428 M HN -0.063 nan 8.290 nan 0.000 0.432 429 S N 1.060 116.963 115.700 0.340 0.000 2.643 429 S HA -0.062 4.402 4.470 -0.011 0.000 0.310 429 S C 1.167 176.050 174.600 0.471 0.000 1.253 429 S CA -0.079 58.335 58.200 0.357 0.000 1.047 429 S CB 0.327 63.667 63.200 0.234 0.000 0.767 429 S HN 0.280 nan 8.310 nan 0.000 0.498 430 L N 4.090 125.525 121.223 0.352 0.000 2.313 430 L HA 0.073 4.407 4.340 -0.011 0.000 0.214 430 L C 0.328 177.297 176.870 0.163 0.000 1.119 430 L CA 0.442 55.433 54.840 0.251 0.000 0.809 430 L CB -0.356 41.794 42.059 0.152 0.000 0.933 430 L HN 0.362 nan 8.230 nan 0.000 0.449 431 V N 1.296 121.323 119.914 0.188 0.000 2.333 431 V HA 0.171 4.285 4.120 -0.011 0.000 0.274 431 V C -0.006 176.173 176.094 0.142 0.000 1.028 431 V CA -0.578 61.828 62.300 0.176 0.000 0.851 431 V CB 1.189 33.161 31.823 0.249 0.000 1.000 431 V HN 0.194 nan 8.190 nan 0.000 0.456 432 E N 4.388 124.650 120.200 0.105 0.000 2.146 432 E HA 0.359 4.702 4.350 -0.011 0.000 0.282 432 E C -0.604 176.045 176.600 0.083 0.000 0.989 432 E CA -0.657 55.794 56.400 0.086 0.000 0.799 432 E CB 1.546 31.276 29.700 0.050 0.000 1.088 432 E HN 0.556 nan 8.360 nan 0.000 0.397 433 E N 1.482 121.728 120.200 0.076 0.000 2.345 433 E HA 0.582 4.926 4.350 -0.011 0.000 0.259 433 E C 0.451 177.087 176.600 0.059 0.000 1.117 433 E CA -0.444 55.996 56.400 0.067 0.000 0.913 433 E CB 1.573 31.305 29.700 0.055 0.000 1.057 433 E HN 0.744 nan 8.360 nan 0.000 0.432 434 G N -0.818 108.016 108.800 0.057 0.000 2.360 434 G HA2 0.318 4.272 3.960 -0.011 0.000 0.276 434 G HA3 0.318 4.272 3.960 -0.011 0.000 0.276 434 G C 0.189 175.122 174.900 0.054 0.000 1.256 434 G CA 0.046 45.177 45.100 0.052 0.000 0.890 434 G HN 0.432 nan 8.290 nan 0.000 0.486 435 A N -0.882 121.970 122.820 0.053 0.000 1.841 435 A HA 0.404 4.717 4.320 -0.011 0.000 0.214 435 A C 1.293 178.922 177.584 0.074 0.000 1.195 435 A CA 2.045 54.114 52.037 0.054 0.000 0.611 435 A CB -0.742 18.286 19.000 0.047 0.000 0.835 435 A HN 1.321 nan 8.150 nan 0.000 0.443 436 V N 1.644 121.612 119.914 0.090 0.000 2.408 436 V HA 0.156 4.270 4.120 -0.011 0.000 0.267 436 V C 0.379 176.541 176.094 0.113 0.000 1.047 436 V CA -0.345 62.033 62.300 0.129 0.000 0.937 436 V CB 0.772 32.681 31.823 0.143 0.000 0.999 436 V HN 0.458 nan 8.190 nan 0.000 0.472 437 K N 6.196 126.670 120.400 0.123 0.000 2.276 437 K HA 0.456 4.770 4.320 -0.011 0.000 0.283 437 K C -0.018 176.651 176.600 0.114 0.000 1.044 437 K CA -0.350 56.005 56.287 0.113 0.000 0.944 437 K CB 0.606 33.179 32.500 0.122 0.000 1.012 437 K HN 0.654 nan 8.250 nan 0.000 0.472 438 R N 2.915 123.473 120.500 0.096 0.000 2.939 438 R HA 0.532 4.866 4.340 -0.011 0.000 0.254 438 R C -0.634 175.712 176.300 0.076 0.000 1.123 438 R CA -1.092 55.058 56.100 0.084 0.000 1.020 438 R CB 1.077 31.413 30.300 0.061 0.000 1.206 438 R HN 0.420 nan 8.270 nan 0.000 0.491 439 I N 1.708 122.319 120.570 0.068 0.000 2.418 439 I HA 0.163 4.327 4.170 -0.011 0.000 0.287 439 I C -0.569 175.544 176.117 -0.006 0.000 1.008 439 I CA -0.748 60.580 61.300 0.047 0.000 1.104 439 I CB 1.458 39.487 38.000 0.048 0.000 1.264 439 I HN 0.537 nan 8.210 nan 0.000 0.438 440 N N 7.185 125.847 118.700 -0.063 0.000 2.415 440 N HA 0.093 4.826 4.740 -0.011 0.000 0.250 440 N C 0.905 176.335 175.510 -0.134 0.000 1.127 440 N CA -0.300 52.639 53.050 -0.185 0.000 0.945 440 N CB 0.900 39.125 38.487 -0.438 0.000 1.196 440 N HN 0.412 nan 8.380 nan 0.000 0.499 441 M N 2.241 121.769 119.600 -0.121 0.000 2.175 441 M HA -0.088 4.385 4.480 -0.011 0.000 0.264 441 M C 2.037 178.217 176.300 -0.200 0.000 1.063 441 M CA 0.828 56.071 55.300 -0.096 0.000 1.119 441 M CB -1.575 31.011 32.600 -0.024 0.000 1.377 441 M HN 0.579 nan 8.290 nan 0.000 0.415 442 A N -0.426 122.269 122.820 -0.208 0.000 1.908 442 A HA -0.202 4.111 4.320 -0.011 0.000 0.218 442 A C 2.009 179.380 177.584 -0.355 0.000 1.181 442 A CA 1.685 53.560 52.037 -0.270 0.000 0.627 442 A CB -1.236 17.793 19.000 0.048 0.000 0.818 442 A HN 0.609 nan 8.150 nan 0.000 0.445 443 H N -1.254 117.613 119.070 -0.338 0.000 2.387 443 H HA -0.037 4.512 4.556 -0.011 0.000 0.299 443 H C 2.127 177.233 175.328 -0.371 0.000 1.090 443 H CA 0.950 56.757 56.048 -0.402 0.000 1.332 443 H CB -0.036 29.676 29.762 -0.083 0.000 1.386 443 H HN 0.368 nan 8.280 nan 0.000 0.516 444 L N 0.504 121.642 121.223 -0.142 0.000 2.017 444 L HA -0.209 4.125 4.340 -0.011 0.000 0.208 444 L C 2.224 178.972 176.870 -0.204 0.000 1.073 444 L CA 1.399 56.160 54.840 -0.131 0.000 0.745 444 L CB -0.500 41.513 42.059 -0.076 0.000 0.894 444 L HN 0.449 nan 8.230 nan 0.000 0.432 445 C N -0.001 119.080 119.300 -0.364 0.000 2.425 445 C HA -0.149 4.305 4.460 -0.011 0.000 0.277 445 C C 2.688 177.451 174.990 -0.378 0.000 1.280 445 C CA 0.394 59.132 59.018 -0.466 0.000 1.744 445 C CB -0.833 26.285 27.740 -1.037 0.000 1.989 445 C HN 0.508 nan 8.230 nan 0.000 0.491 446 I N 1.646 121.946 120.570 -0.450 0.000 2.202 446 I HA -0.162 4.002 4.170 -0.011 0.000 0.242 446 I C 2.805 178.808 176.117 -0.190 0.000 1.091 446 I CA 1.505 62.588 61.300 -0.363 0.000 1.368 446 I CB -0.618 36.999 38.000 -0.638 0.000 1.058 446 I HN 0.240 nan 8.210 nan 0.000 0.410 447 A N 0.681 123.358 122.820 -0.237 0.000 1.917 447 A HA -0.174 4.140 4.320 -0.011 0.000 0.219 447 A C 2.250 179.917 177.584 0.138 0.000 1.182 447 A CA 2.173 54.124 52.037 -0.144 0.000 0.633 447 A CB -1.280 17.504 19.000 -0.359 0.000 0.819 447 A HN 0.495 nan 8.150 nan 0.000 0.448 448 G N -1.613 107.210 108.800 0.039 0.000 3.126 448 G HA2 0.414 4.368 3.960 -0.011 0.000 0.224 448 G HA3 0.414 4.368 3.960 -0.011 0.000 0.224 448 G C 0.275 175.070 174.900 -0.174 0.000 1.142 448 G CA 0.612 45.663 45.100 -0.081 0.000 0.759 448 G HN 0.395 nan 8.290 nan 0.000 0.550 449 S N -0.180 115.469 115.700 -0.086 0.000 2.664 449 S HA 0.388 4.852 4.470 -0.011 0.000 0.304 449 S C 0.612 175.228 174.600 0.026 0.000 1.099 449 S CA -0.693 57.491 58.200 -0.027 0.000 1.003 449 S CB 1.171 64.356 63.200 -0.024 0.000 1.092 449 S HN 0.493 nan 8.310 nan 0.000 0.525 450 H N -0.760 118.295 119.070 -0.025 0.000 2.586 450 H HA 0.617 5.167 4.556 -0.011 0.000 0.273 450 H C -0.032 175.310 175.328 0.023 0.000 0.997 450 H CA -0.006 56.048 56.048 0.011 0.000 1.177 450 H CB -0.019 29.751 29.762 0.014 0.000 1.471 450 H HN 0.516 nan 8.280 nan 0.000 0.538 451 A N 0.781 123.406 122.820 -0.324 0.000 2.547 451 A HA 0.583 4.897 4.320 -0.011 0.000 0.297 451 A C -1.487 175.944 177.584 -0.254 0.000 1.056 451 A CA -0.537 51.324 52.037 -0.293 0.000 0.688 451 A CB 2.040 20.813 19.000 -0.378 0.000 1.282 451 A HN 0.076 nan 8.150 nan 0.000 0.400 452 V N 3.350 123.078 119.914 -0.309 0.000 2.789 452 V HA 0.686 4.800 4.120 -0.011 0.000 0.311 452 V C -0.705 175.221 176.094 -0.281 0.000 1.073 452 V CA -0.675 61.423 62.300 -0.338 0.000 0.921 452 V CB 2.077 33.539 31.823 -0.601 0.000 1.009 452 V HN 1.099 nan 8.190 nan 0.000 0.426 453 N N 2.039 120.586 118.700 -0.254 0.000 2.396 453 N HA 0.570 5.303 4.740 -0.011 0.000 0.275 453 N C -0.585 174.849 175.510 -0.126 0.000 1.218 453 N CA -0.402 52.550 53.050 -0.164 0.000 0.812 453 N CB 2.723 41.093 38.487 -0.195 0.000 1.592 453 N HN 0.737 nan 8.380 nan 0.000 0.480 454 G N -0.780 107.997 108.800 -0.037 0.000 2.491 454 G HA2 0.451 4.405 3.960 -0.011 0.000 0.327 454 G HA3 0.451 4.405 3.960 -0.011 0.000 0.327 454 G C 0.777 175.739 174.900 0.102 0.000 1.189 454 G CA -0.590 44.585 45.100 0.125 0.000 0.956 454 G HN 0.649 nan 8.290 nan 0.000 0.491 455 V N -3.012 116.992 119.914 0.150 0.000 3.444 455 V HA 0.672 4.786 4.120 -0.011 0.000 0.308 455 V C 0.609 176.730 176.094 0.044 0.000 1.371 455 V CA 0.312 62.623 62.300 0.018 0.000 1.141 455 V CB -0.993 30.759 31.823 -0.119 0.000 1.037 455 V HN 1.337 nan 8.190 nan 0.000 0.433 456 A N -0.188 122.684 122.820 0.085 0.000 2.599 456 A HA 0.608 4.922 4.320 -0.011 0.000 0.294 456 A C 0.633 178.255 177.584 0.063 0.000 1.055 456 A CA -0.262 51.815 52.037 0.067 0.000 0.683 456 A CB 1.056 20.083 19.000 0.045 0.000 1.278 456 A HN -0.011 nan 8.150 nan 0.000 0.412 457 R N 0.687 121.205 120.500 0.030 0.000 2.120 457 R HA -0.125 4.208 4.340 -0.011 0.000 0.234 457 R C 1.291 177.583 176.300 -0.013 0.000 1.123 457 R CA 2.175 58.274 56.100 -0.001 0.000 0.975 457 R CB -0.401 29.894 30.300 -0.008 0.000 0.866 457 R HN 0.835 nan 8.270 nan 0.000 0.446 458 I N -1.059 119.510 120.570 -0.002 0.000 2.163 458 I HA -0.247 3.916 4.170 -0.011 0.000 0.240 458 I C 2.438 178.549 176.117 -0.011 0.000 1.081 458 I CA 1.560 62.849 61.300 -0.018 0.000 1.353 458 I CB -1.039 36.951 38.000 -0.016 0.000 1.054 458 I HN 0.229 nan 8.210 nan 0.000 0.407 459 H N 1.848 120.880 119.070 -0.062 0.000 2.289 459 H HA -0.175 4.374 4.556 -0.011 0.000 0.296 459 H C 2.378 177.671 175.328 -0.060 0.000 1.091 459 H CA 2.318 58.326 56.048 -0.067 0.000 1.274 459 H CB -0.214 29.509 29.762 -0.064 0.000 1.364 459 H HN 0.178 nan 8.280 nan 0.000 0.490 460 S N 0.205 115.829 115.700 -0.126 0.000 2.399 460 S HA -0.134 4.330 4.470 -0.011 0.000 0.231 460 S C 1.919 176.422 174.600 -0.161 0.000 1.022 460 S CA 1.251 59.363 58.200 -0.147 0.000 0.983 460 S CB -0.074 63.092 63.200 -0.057 0.000 0.803 460 S HN 0.475 nan 8.310 nan 0.000 0.480 461 E N 1.157 121.271 120.200 -0.142 0.000 2.107 461 E HA 0.061 4.405 4.350 -0.011 0.000 0.191 461 E C 1.956 178.442 176.600 -0.189 0.000 0.982 461 E CA 0.539 56.840 56.400 -0.166 0.000 0.809 461 E CB -0.348 29.281 29.700 -0.118 0.000 0.756 461 E HN 0.505 nan 8.360 nan 0.000 0.459 462 I N 0.776 121.239 120.570 -0.179 0.000 2.454 462 I HA -0.240 3.924 4.170 -0.011 0.000 0.254 462 I C 2.164 178.140 176.117 -0.235 0.000 1.156 462 I CA 0.633 61.822 61.300 -0.185 0.000 1.433 462 I CB -0.070 37.839 38.000 -0.152 0.000 1.082 462 I HN 0.053 nan 8.210 nan 0.000 0.432 463 L N 0.059 121.118 121.223 -0.274 0.000 2.072 463 L HA -0.155 4.179 4.340 -0.011 0.000 0.205 463 L C 2.412 179.187 176.870 -0.158 0.000 1.079 463 L CA 1.240 55.946 54.840 -0.223 0.000 0.752 463 L CB -0.511 41.531 42.059 -0.030 0.000 0.906 463 L HN 0.121 nan 8.230 nan 0.000 0.436 464 K N 0.230 120.466 120.400 -0.273 0.000 2.148 464 K HA -0.135 4.178 4.320 -0.011 0.000 0.204 464 K C 1.976 178.372 176.600 -0.340 0.000 1.050 464 K CA 1.126 57.100 56.287 -0.523 0.000 0.942 464 K CB 0.049 32.026 32.500 -0.872 0.000 0.724 464 K HN 0.247 nan 8.250 nan 0.000 0.446 465 K N -0.624 119.631 120.400 -0.241 0.000 2.308 465 K HA 0.062 4.376 4.320 -0.011 0.000 0.197 465 K C 1.345 177.879 176.600 -0.109 0.000 1.049 465 K CA 0.788 56.982 56.287 -0.156 0.000 0.991 465 K CB 0.679 33.094 32.500 -0.141 0.000 0.836 465 K HN 0.027 nan 8.250 nan 0.000 0.500 466 T N 0.639 115.117 114.554 -0.127 0.000 3.478 466 T HA 0.100 4.444 4.350 -0.011 0.000 0.223 466 T C 1.633 176.265 174.700 -0.114 0.000 0.958 466 T CA -0.072 61.964 62.100 -0.106 0.000 1.324 466 T CB 0.073 68.871 68.868 -0.117 0.000 1.262 466 T HN -0.099 nan 8.240 nan 0.000 0.379 467 I N 0.653 121.087 120.570 -0.228 0.000 2.252 467 I HA 0.065 4.228 4.170 -0.011 0.000 0.245 467 I C 0.767 176.736 176.117 -0.246 0.000 1.102 467 I CA 1.689 62.766 61.300 -0.372 0.000 1.385 467 I CB -1.152 36.383 38.000 -0.774 0.000 1.064 467 I HN 0.166 nan 8.210 nan 0.000 0.414 468 F N 1.252 121.283 119.950 0.134 0.000 2.879 468 F HA 0.382 4.902 4.527 -0.011 0.000 0.354 468 F C 1.713 177.623 175.800 0.184 0.000 1.291 468 F CA -1.063 57.118 58.000 0.301 0.000 1.238 468 F CB -0.385 38.844 39.000 0.383 0.000 1.005 468 F HN -0.062 nan 8.300 nan 0.000 0.508 469 K N 0.636 121.153 120.400 0.194 0.000 2.009 469 K HA -0.173 4.140 4.320 -0.011 0.000 0.210 469 K C 1.386 178.028 176.600 0.070 0.000 1.049 469 K CA 2.021 58.352 56.287 0.073 0.000 0.929 469 K CB 0.038 32.547 32.500 0.015 0.000 0.714 469 K HN 0.146 nan 8.250 nan 0.000 0.440 470 D N 0.037 120.444 120.400 0.012 0.000 2.149 470 D HA -0.207 4.427 4.640 -0.011 0.000 0.194 470 D C 1.830 177.993 176.300 -0.229 0.000 1.001 470 D CA 1.466 55.336 54.000 -0.217 0.000 0.849 470 D CB -0.333 40.248 40.800 -0.366 0.000 0.939 470 D HN 0.232 nan 8.370 nan 0.000 0.449 471 F N -0.411 119.618 119.950 0.132 0.000 2.206 471 F HA -0.128 4.393 4.527 -0.011 0.000 0.298 471 F C 2.328 178.262 175.800 0.223 0.000 1.090 471 F CA 0.425 58.587 58.000 0.269 0.000 1.323 471 F CB -0.609 38.648 39.000 0.428 0.000 1.028 471 F HN -0.040 nan 8.300 nan 0.000 0.492 472 Y N 1.264 121.500 120.300 -0.107 0.000 2.242 472 Y HA -0.173 4.371 4.550 -0.011 0.000 0.291 472 Y C 2.112 177.955 175.900 -0.096 0.000 1.137 472 Y CA 1.534 59.380 58.100 -0.423 0.000 1.181 472 Y CB -0.500 37.572 38.460 -0.646 0.000 0.989 472 Y HN 0.133 nan 8.280 nan 0.000 0.527 473 E N -0.355 119.806 120.200 -0.066 0.000 2.152 473 E HA -0.165 4.178 4.350 -0.011 0.000 0.192 473 E C 2.211 178.895 176.600 0.139 0.000 0.983 473 E CA 0.857 57.258 56.400 0.002 0.000 0.818 473 E CB -0.125 29.616 29.700 0.068 0.000 0.758 473 E HN 0.451 nan 8.360 nan 0.000 0.467 474 L N 0.551 121.862 121.223 0.147 0.000 2.068 474 L HA -0.054 4.279 4.340 -0.011 0.000 0.204 474 L C 0.371 177.288 176.870 0.079 0.000 1.076 474 L CA 1.279 56.236 54.840 0.196 0.000 0.753 474 L CB 0.293 42.460 42.059 0.179 0.000 0.910 474 L HN 0.024 nan 8.230 nan 0.000 0.439 475 E N -0.480 119.742 120.200 0.036 0.000 3.666 475 E HA 0.122 4.465 4.350 -0.011 0.000 0.230 475 E C -1.874 174.517 176.600 -0.348 0.000 1.235 475 E CA -1.232 55.042 56.400 -0.210 0.000 1.096 475 E CB 0.903 30.605 29.700 0.004 0.000 1.287 475 E HN 0.205 nan 8.360 nan 0.000 0.406 476 P HA -0.277 nan 4.420 nan 0.000 0.216 476 P C 1.237 178.527 177.300 -0.016 0.000 1.153 476 P CA 1.566 64.334 63.100 -0.553 0.000 0.858 476 P CB -0.114 31.157 31.700 -0.716 0.000 0.789 477 H N 0.096 119.246 119.070 0.133 0.000 2.518 477 H HA 0.028 4.578 4.556 -0.011 0.000 0.292 477 H C 1.510 176.953 175.328 0.191 0.000 1.068 477 H CA 0.744 56.884 56.048 0.154 0.000 1.275 477 H CB -0.665 29.155 29.762 0.097 0.000 1.375 477 H HN 0.199 nan 8.280 nan 0.000 0.563 478 K N 0.256 120.764 120.400 0.180 0.000 2.288 478 K HA 0.038 4.351 4.320 -0.011 0.000 0.201 478 K C -0.264 176.321 176.600 -0.025 0.000 1.048 478 K CA 0.287 56.627 56.287 0.088 0.000 0.956 478 K CB 0.159 32.579 32.500 -0.133 0.000 0.746 478 K HN 0.087 nan 8.250 nan 0.000 0.461 479 F N 1.524 121.552 119.950 0.129 0.000 2.408 479 F HA 0.249 4.769 4.527 -0.011 0.000 0.344 479 F C 0.488 176.325 175.800 0.061 0.000 1.112 479 F CA -0.401 57.664 58.000 0.109 0.000 1.096 479 F CB 1.144 40.263 39.000 0.198 0.000 1.129 479 F HN -0.136 nan 8.300 nan 0.000 0.486 480 Q N 1.691 121.553 119.800 0.104 0.000 2.683 480 Q HA 0.429 4.763 4.340 -0.011 0.000 0.302 480 Q C -1.305 174.673 176.000 -0.038 0.000 1.042 480 Q CA -1.296 54.509 55.803 0.004 0.000 0.773 480 Q CB 3.398 32.080 28.738 -0.093 0.000 1.508 480 Q HN 0.651 nan 8.270 nan 0.000 0.459 481 N N 0.252 118.900 118.700 -0.086 0.000 2.242 481 N HA 0.312 5.045 4.740 -0.011 0.000 0.292 481 N C -1.743 173.667 175.510 -0.166 0.000 1.125 481 N CA -0.402 52.592 53.050 -0.093 0.000 0.783 481 N CB 1.722 40.177 38.487 -0.053 0.000 1.558 481 N HN 0.371 nan 8.380 nan 0.000 0.472 482 K N 2.395 122.697 120.400 -0.163 0.000 2.731 482 K HA 0.191 4.505 4.320 -0.011 0.000 0.257 482 K C -1.012 175.570 176.600 -0.030 0.000 1.032 482 K CA -0.537 55.628 56.287 -0.204 0.000 0.983 482 K CB 1.571 33.749 32.500 -0.536 0.000 1.248 482 K HN 0.547 nan 8.250 nan 0.000 0.484 483 T N 1.945 116.510 114.554 0.017 0.000 2.940 483 T HA 0.061 4.405 4.350 -0.011 0.000 0.309 483 T C 0.810 175.611 174.700 0.169 0.000 1.056 483 T CA 0.110 62.268 62.100 0.096 0.000 1.137 483 T CB 0.437 69.380 68.868 0.126 0.000 0.976 483 T HN 0.382 nan 8.240 nan 0.000 0.547 484 N N 0.129 118.945 118.700 0.193 0.000 2.231 484 N HA 0.397 5.131 4.740 -0.011 0.000 0.223 484 N C 0.452 176.127 175.510 0.274 0.000 1.329 484 N CA -0.146 53.051 53.050 0.246 0.000 0.889 484 N CB 0.314 38.890 38.487 0.148 0.000 1.125 484 N HN 0.772 nan 8.380 nan 0.000 0.447 485 G N -0.631 108.337 108.800 0.280 0.000 2.645 485 G HA2 0.651 4.604 3.960 -0.011 0.000 0.292 485 G HA3 0.651 4.604 3.960 -0.011 0.000 0.292 485 G C -1.800 173.220 174.900 0.201 0.000 1.415 485 G CA -0.351 44.907 45.100 0.262 0.000 0.785 485 G HN 0.393 nan 8.290 nan 0.000 0.483 486 I N -0.571 120.114 120.570 0.192 0.000 2.802 486 I HA 0.575 4.738 4.170 -0.011 0.000 0.298 486 I C -0.143 176.127 176.117 0.256 0.000 1.176 486 I CA -0.446 60.963 61.300 0.182 0.000 1.025 486 I CB 2.738 40.756 38.000 0.031 0.000 1.243 486 I HN 0.483 nan 8.210 nan 0.000 0.424 487 T N 7.189 121.962 114.554 0.364 0.000 2.744 487 T HA 0.388 4.731 4.350 -0.011 0.000 0.291 487 T C -1.708 173.111 174.700 0.198 0.000 0.957 487 T CA -1.839 60.389 62.100 0.214 0.000 1.002 487 T CB 1.074 70.019 68.868 0.128 0.000 0.919 487 T HN 0.405 nan 8.240 nan 0.000 0.468 488 P HA -0.086 nan 4.420 nan 0.000 0.219 488 P C 1.197 178.497 177.300 -0.000 0.000 1.146 488 P CA 0.752 63.903 63.100 0.085 0.000 0.808 488 P CB 0.418 32.152 31.700 0.058 0.000 0.779 489 R N 0.279 120.725 120.500 -0.091 0.000 2.075 489 R HA -0.061 4.272 4.340 -0.011 0.000 0.230 489 R C 2.810 179.034 176.300 -0.127 0.000 1.140 489 R CA 1.831 57.843 56.100 -0.147 0.000 0.928 489 R CB -1.157 29.054 30.300 -0.148 0.000 0.834 489 R HN 0.103 nan 8.270 nan 0.000 0.429 490 R N -0.815 119.562 120.500 -0.205 0.000 2.073 490 R HA -0.100 4.234 4.340 -0.011 0.000 0.229 490 R C 1.375 177.471 176.300 -0.340 0.000 1.120 490 R CA 1.526 57.388 56.100 -0.397 0.000 0.967 490 R CB -0.253 29.622 30.300 -0.708 0.000 0.862 490 R HN 0.320 nan 8.270 nan 0.000 0.436 491 W N 0.012 121.276 121.300 -0.060 0.000 3.180 491 W HA 0.101 4.754 4.660 -0.011 0.000 0.254 491 W C 1.121 177.618 176.519 -0.037 0.000 1.318 491 W CA -0.726 56.583 57.345 -0.061 0.000 1.608 491 W CB 0.440 29.866 29.460 -0.056 0.000 1.124 491 W HN 0.260 nan 8.180 nan 0.000 0.694 492 L N -2.107 119.209 121.223 0.154 0.000 3.099 492 L HA 0.169 4.502 4.340 -0.011 0.000 0.165 492 L C 1.867 178.778 176.870 0.068 0.000 1.151 492 L CA 0.835 55.747 54.840 0.119 0.000 0.878 492 L CB -0.938 41.211 42.059 0.150 0.000 1.615 492 L HN -0.244 nan 8.230 nan 0.000 0.545 493 V N 1.135 121.069 119.914 0.033 0.000 2.287 493 V HA -0.289 3.824 4.120 -0.011 0.000 0.248 493 V C 2.501 178.592 176.094 -0.005 0.000 1.053 493 V CA 2.533 64.841 62.300 0.014 0.000 1.027 493 V CB -0.828 30.980 31.823 -0.025 0.000 0.646 493 V HN 0.518 nan 8.190 nan 0.000 0.447 494 L N 0.369 121.565 121.223 -0.044 0.000 2.023 494 L HA -0.159 4.174 4.340 -0.011 0.000 0.205 494 L C 2.485 179.316 176.870 -0.065 0.000 1.073 494 L CA 2.218 57.013 54.840 -0.075 0.000 0.745 494 L CB -0.202 41.769 42.059 -0.147 0.000 0.900 494 L HN 0.663 nan 8.230 nan 0.000 0.435 495 C N -1.927 117.339 119.300 -0.056 0.000 2.563 495 C HA 0.199 4.652 4.460 -0.011 0.000 0.268 495 C C 1.079 176.075 174.990 0.009 0.000 1.365 495 C CA -0.397 58.604 59.018 -0.028 0.000 1.754 495 C CB -1.061 26.677 27.740 -0.004 0.000 1.932 495 C HN 0.538 nan 8.230 nan 0.000 0.536 496 N N 1.091 119.807 118.700 0.026 0.000 2.752 496 N HA 0.324 5.058 4.740 -0.011 0.000 0.260 496 N C -2.294 173.242 175.510 0.044 0.000 1.562 496 N CA -1.510 51.563 53.050 0.038 0.000 0.788 496 N CB 0.963 39.480 38.487 0.050 0.000 1.192 496 N HN 0.091 nan 8.380 nan 0.000 0.503 497 P HA 0.020 nan 4.420 nan 0.000 0.220 497 P C 1.239 178.566 177.300 0.045 0.000 1.148 497 P CA 0.847 63.968 63.100 0.035 0.000 0.803 497 P CB 0.381 32.094 31.700 0.021 0.000 0.782 498 G N -0.062 108.763 108.800 0.041 0.000 2.404 498 G HA2 -0.180 3.774 3.960 -0.011 0.000 0.213 498 G HA3 -0.180 3.774 3.960 -0.011 0.000 0.213 498 G C 1.422 176.353 174.900 0.051 0.000 1.189 498 G CA 0.318 45.443 45.100 0.041 0.000 0.796 498 G HN 0.208 nan 8.290 nan 0.000 0.532 499 L N 1.466 122.718 121.223 0.048 0.000 2.012 499 L HA 0.040 4.374 4.340 -0.011 0.000 0.210 499 L C 3.057 179.977 176.870 0.083 0.000 1.073 499 L CA 2.318 57.189 54.840 0.051 0.000 0.748 499 L CB -0.498 41.586 42.059 0.040 0.000 0.891 499 L HN 0.232 nan 8.230 nan 0.000 0.431 500 A N -1.167 121.717 122.820 0.107 0.000 1.972 500 A HA -0.251 4.063 4.320 -0.011 0.000 0.219 500 A C 2.296 179.986 177.584 0.177 0.000 1.169 500 A CA 1.744 53.892 52.037 0.184 0.000 0.635 500 A CB -0.661 18.449 19.000 0.184 0.000 0.810 500 A HN 0.657 nan 8.150 nan 0.000 0.446 501 E N 0.423 120.690 120.200 0.112 0.000 2.015 501 E HA -0.174 4.170 4.350 -0.011 0.000 0.191 501 E C 2.022 178.670 176.600 0.080 0.000 0.991 501 E CA 1.537 57.989 56.400 0.086 0.000 0.802 501 E CB -0.312 29.423 29.700 0.058 0.000 0.759 501 E HN 0.752 nan 8.360 nan 0.000 0.447 502 I N -1.169 119.458 120.570 0.094 0.000 2.493 502 I HA -0.166 3.997 4.170 -0.011 0.000 0.254 502 I C 2.193 178.375 176.117 0.107 0.000 1.160 502 I CA 0.972 62.349 61.300 0.129 0.000 1.445 502 I CB -0.371 37.757 38.000 0.213 0.000 1.086 502 I HN 0.093 nan 8.210 nan 0.000 0.433 503 I N 2.046 122.673 120.570 0.094 0.000 2.233 503 I HA -0.173 3.990 4.170 -0.011 0.000 0.243 503 I C 3.066 179.138 176.117 -0.075 0.000 1.093 503 I CA 1.265 62.529 61.300 -0.060 0.000 1.380 503 I CB -0.490 37.398 38.000 -0.187 0.000 1.067 503 I HN 0.275 nan 8.210 nan 0.000 0.413 504 A N 0.824 123.698 122.820 0.090 0.000 1.940 504 A HA -0.254 4.059 4.320 -0.011 0.000 0.219 504 A C 2.132 179.732 177.584 0.027 0.000 1.176 504 A CA 1.910 54.034 52.037 0.145 0.000 0.631 504 A CB -0.652 18.438 19.000 0.150 0.000 0.814 504 A HN 0.494 nan 8.150 nan 0.000 0.446 505 E N -0.493 119.694 120.200 -0.022 0.000 2.038 505 E HA -0.238 4.106 4.350 -0.011 0.000 0.195 505 E C 2.327 178.852 176.600 -0.126 0.000 1.000 505 E CA 1.624 57.989 56.400 -0.060 0.000 0.803 505 E CB -0.191 29.469 29.700 -0.066 0.000 0.750 505 E HN 0.580 nan 8.360 nan 0.000 0.448 506 R N 0.522 120.861 120.500 -0.269 0.000 2.055 506 R HA 0.002 4.335 4.340 -0.011 0.000 0.228 506 R C 2.501 178.671 176.300 -0.218 0.000 1.143 506 R CA 1.497 57.362 56.100 -0.392 0.000 0.945 506 R CB -0.295 29.412 30.300 -0.988 0.000 0.841 506 R HN 0.326 nan 8.270 nan 0.000 0.429 507 I N -2.515 117.942 120.570 -0.189 0.000 3.883 507 I HA 0.398 4.562 4.170 -0.011 0.000 0.326 507 I C 0.535 176.670 176.117 0.031 0.000 1.283 507 I CA 0.144 61.410 61.300 -0.056 0.000 1.161 507 I CB 0.260 38.224 38.000 -0.060 0.000 1.012 507 I HN 0.240 nan 8.210 nan 0.000 0.421 508 G N 1.968 110.795 108.800 0.044 0.000 2.660 508 G HA2 -0.227 3.727 3.960 -0.011 0.000 0.247 508 G HA3 -0.227 3.727 3.960 -0.011 0.000 0.247 508 G C -0.042 174.957 174.900 0.166 0.000 1.328 508 G CA 0.175 45.322 45.100 0.079 0.000 0.884 508 G HN 0.428 nan 8.290 nan 0.000 0.531 509 E N -0.461 119.792 120.200 0.088 0.000 2.460 509 E HA 0.103 4.446 4.350 -0.011 0.000 0.200 509 E C 1.887 178.425 176.600 -0.103 0.000 1.011 509 E CA 0.127 56.517 56.400 -0.017 0.000 0.912 509 E CB 0.195 29.872 29.700 -0.038 0.000 0.953 509 E HN 0.530 nan 8.360 nan 0.000 0.494 510 E N 0.461 120.667 120.200 0.010 0.000 2.393 510 E HA -0.210 4.134 4.350 -0.011 0.000 0.201 510 E C 1.360 177.952 176.600 -0.013 0.000 1.025 510 E CA 0.883 57.284 56.400 0.002 0.000 0.856 510 E CB 0.008 29.733 29.700 0.042 0.000 0.771 510 E HN 0.497 nan 8.360 nan 0.000 0.526 511 Y N -1.363 118.933 120.300 -0.006 0.000 2.516 511 Y HA -0.022 4.522 4.550 -0.010 0.000 0.291 511 Y C 1.734 177.601 175.900 -0.054 0.000 1.131 511 Y CA 0.229 58.318 58.100 -0.019 0.000 1.281 511 Y CB -0.228 38.226 38.460 -0.010 0.000 1.013 511 Y HN -0.068 nan 8.280 nan 0.000 0.554 512 I N 1.197 121.321 120.570 -0.743 0.000 2.700 512 I HA -0.157 4.007 4.170 -0.011 0.000 0.261 512 I C 1.297 177.176 176.117 -0.396 0.000 1.219 512 I CA 1.423 62.354 61.300 -0.616 0.000 1.463 512 I CB -1.470 36.010 38.000 -0.867 0.000 1.092 512 I HN 0.515 nan 8.210 nan 0.000 0.452 513 S N -1.492 114.072 115.700 -0.226 0.000 2.730 513 S HA 0.225 4.689 4.470 -0.011 0.000 0.244 513 S C 0.243 174.830 174.600 -0.023 0.000 1.022 513 S CA -0.433 57.709 58.200 -0.096 0.000 1.014 513 S CB 0.478 63.670 63.200 -0.013 0.000 0.963 513 S HN 0.278 nan 8.310 nan 0.000 0.540 514 D N 0.959 121.358 120.400 -0.002 0.000 2.978 514 D HA 0.241 4.875 4.640 -0.011 0.000 0.268 514 D C 0.591 176.940 176.300 0.082 0.000 1.252 514 D CA -0.301 53.719 54.000 0.035 0.000 0.771 514 D CB -0.047 40.776 40.800 0.039 0.000 1.361 514 D HN 0.132 nan 8.370 nan 0.000 0.558 515 L N 0.387 121.661 121.223 0.085 0.000 2.349 515 L HA -0.113 4.221 4.340 -0.011 0.000 0.220 515 L C 1.239 178.153 176.870 0.073 0.000 1.130 515 L CA 1.024 55.938 54.840 0.124 0.000 0.791 515 L CB 0.123 42.244 42.059 0.103 0.000 0.918 515 L HN 0.277 nan 8.230 nan 0.000 0.444 516 D N -0.173 120.250 120.400 0.038 0.000 2.144 516 D HA -0.216 4.418 4.640 -0.011 0.000 0.199 516 D C 2.004 178.319 176.300 0.026 0.000 0.984 516 D CA 0.935 54.943 54.000 0.012 0.000 0.834 516 D CB -0.032 40.765 40.800 -0.005 0.000 0.955 516 D HN 0.475 nan 8.370 nan 0.000 0.465 517 Q N -0.103 119.727 119.800 0.050 0.000 2.458 517 Q HA -0.181 4.152 4.340 -0.011 0.000 0.215 517 Q C 1.901 177.914 176.000 0.021 0.000 0.989 517 Q CA 0.391 56.225 55.803 0.053 0.000 0.895 517 Q CB -0.073 28.726 28.738 0.101 0.000 0.934 517 Q HN 0.230 nan 8.270 nan 0.000 0.475 518 L N 0.570 121.793 121.223 0.000 0.000 2.275 518 L HA -0.149 4.185 4.340 -0.011 0.000 0.215 518 L C 2.129 179.000 176.870 0.001 0.000 1.119 518 L CA 1.459 56.271 54.840 -0.046 0.000 0.790 518 L CB -0.311 41.722 42.059 -0.042 0.000 0.919 518 L HN 0.123 nan 8.230 nan 0.000 0.443 519 R N -0.385 120.124 120.500 0.015 0.000 2.159 519 R HA -0.177 4.157 4.340 -0.011 0.000 0.237 519 R C 1.947 178.268 176.300 0.036 0.000 1.131 519 R CA 0.982 57.096 56.100 0.023 0.000 0.982 519 R CB -0.348 29.959 30.300 0.011 0.000 0.868 519 R HN 0.422 nan 8.270 nan 0.000 0.453 520 K N 0.715 121.137 120.400 0.036 0.000 2.280 520 K HA -0.068 4.246 4.320 -0.011 0.000 0.202 520 K C 1.872 178.544 176.600 0.120 0.000 1.047 520 K CA 0.766 57.087 56.287 0.057 0.000 0.942 520 K CB -0.088 32.443 32.500 0.051 0.000 0.739 520 K HN 0.189 nan 8.250 nan 0.000 0.457 521 L N 0.708 122.001 121.223 0.117 0.000 2.465 521 L HA -0.123 4.211 4.340 -0.011 0.000 0.224 521 L C 1.784 178.802 176.870 0.247 0.000 1.145 521 L CA 0.004 54.974 54.840 0.218 0.000 0.834 521 L CB -0.240 41.910 42.059 0.152 0.000 0.944 521 L HN 0.165 nan 8.230 nan 0.000 0.451 522 L N -0.245 121.057 121.223 0.131 0.000 2.042 522 L HA -0.202 4.131 4.340 -0.011 0.000 0.210 522 L C 2.639 179.539 176.870 0.051 0.000 1.076 522 L CA 1.622 56.513 54.840 0.085 0.000 0.749 522 L CB -1.050 41.032 42.059 0.039 0.000 0.893 522 L HN 0.188 nan 8.230 nan 0.000 0.432 523 S N -1.529 114.161 115.700 -0.018 0.000 2.440 523 S HA -0.198 4.265 4.470 -0.011 0.000 0.240 523 S C 1.408 175.805 174.600 -0.337 0.000 1.014 523 S CA 1.029 59.105 58.200 -0.206 0.000 0.980 523 S CB -0.446 62.542 63.200 -0.354 0.000 0.775 523 S HN 0.476 nan 8.310 nan 0.000 0.499 524 Y N -0.294 120.026 120.300 0.033 0.000 2.468 524 Y HA 0.317 4.866 4.550 -0.002 0.000 0.268 524 Y C 1.878 177.881 175.900 0.171 0.000 1.177 524 Y CA -0.441 57.708 58.100 0.082 0.000 1.265 524 Y CB -0.071 38.403 38.460 0.024 0.000 1.103 524 Y HN 0.104 nan 8.280 nan 0.000 0.522 525 V N 0.338 120.368 119.914 0.193 0.000 2.594 525 V HA -0.221 3.893 4.120 -0.011 0.000 0.253 525 V C 0.909 177.066 176.094 0.104 0.000 1.069 525 V CA 2.216 64.604 62.300 0.146 0.000 1.082 525 V CB -0.018 31.855 31.823 0.083 0.000 0.680 525 V HN 0.347 nan 8.190 nan 0.000 0.469 526 D N -0.351 120.094 120.400 0.076 0.000 2.440 526 D HA 0.142 4.775 4.640 -0.011 0.000 0.216 526 D C 0.003 176.343 176.300 0.067 0.000 1.150 526 D CA -0.018 54.013 54.000 0.053 0.000 0.832 526 D CB 0.302 41.113 40.800 0.019 0.000 0.992 526 D HN 0.574 nan 8.370 nan 0.000 0.502 527 D N 1.266 121.739 120.400 0.122 0.000 2.339 527 D HA 0.011 4.645 4.640 -0.011 0.000 0.241 527 D C 1.204 177.603 176.300 0.164 0.000 1.183 527 D CA -0.061 54.029 54.000 0.150 0.000 0.859 527 D CB 1.035 41.984 40.800 0.248 0.000 1.067 527 D HN -0.278 nan 8.370 nan 0.000 0.484 528 E N 2.849 123.113 120.200 0.107 0.000 2.409 528 E HA -0.114 4.230 4.350 -0.011 0.000 0.198 528 E C 1.448 178.109 176.600 0.102 0.000 1.024 528 E CA 0.628 57.080 56.400 0.086 0.000 0.861 528 E CB 0.033 29.766 29.700 0.054 0.000 0.788 528 E HN 0.651 nan 8.360 nan 0.000 0.521 529 A N 0.687 123.590 122.820 0.137 0.000 1.855 529 A HA -0.099 4.215 4.320 -0.011 0.000 0.213 529 A C 1.959 179.674 177.584 0.217 0.000 1.195 529 A CA 0.557 52.677 52.037 0.139 0.000 0.610 529 A CB -0.608 18.469 19.000 0.128 0.000 0.837 529 A HN 0.176 nan 8.150 nan 0.000 0.444 530 F N 0.920 120.903 119.950 0.055 0.000 2.102 530 F HA -0.126 4.395 4.527 -0.010 0.000 0.298 530 F C 2.098 177.915 175.800 0.030 0.000 1.105 530 F CA 0.915 58.934 58.000 0.031 0.000 1.239 530 F CB -0.548 38.493 39.000 0.068 0.000 0.991 530 F HN 0.154 nan 8.300 nan 0.000 0.474 531 I N 0.275 120.895 120.570 0.083 0.000 2.264 531 I HA -0.356 3.808 4.170 -0.011 0.000 0.248 531 I C 2.321 178.412 176.117 -0.043 0.000 1.111 531 I CA 1.801 63.085 61.300 -0.027 0.000 1.382 531 I CB -0.389 37.628 38.000 0.029 0.000 1.060 531 I HN 0.161 nan 8.210 nan 0.000 0.418 532 R N 0.039 120.538 120.500 -0.000 0.000 2.161 532 R HA -0.001 4.333 4.340 -0.011 0.000 0.213 532 R C 1.543 177.827 176.300 -0.026 0.000 1.055 532 R CA 0.859 56.952 56.100 -0.012 0.000 0.996 532 R CB -0.563 29.742 30.300 0.008 0.000 0.901 532 R HN 0.183 nan 8.270 nan 0.000 0.456 533 D N 0.901 121.291 120.400 -0.016 0.000 2.123 533 D HA -0.068 4.565 4.640 -0.011 0.000 0.200 533 D C 2.007 178.248 176.300 -0.098 0.000 0.976 533 D CA 1.155 55.144 54.000 -0.017 0.000 0.831 533 D CB -0.058 40.784 40.800 0.070 0.000 0.974 533 D HN 0.063 nan 8.370 nan 0.000 0.469 534 V N 1.525 121.293 119.914 -0.244 0.000 2.332 534 V HA -0.234 3.879 4.120 -0.011 0.000 0.248 534 V C 2.489 178.509 176.094 -0.124 0.000 1.055 534 V CA 1.865 64.005 62.300 -0.267 0.000 1.038 534 V CB -0.733 30.823 31.823 -0.445 0.000 0.651 534 V HN 0.183 nan 8.190 nan 0.000 0.450 535 A N -0.873 121.890 122.820 -0.095 0.000 2.067 535 A HA -0.187 4.127 4.320 -0.011 0.000 0.219 535 A C 2.337 179.894 177.584 -0.045 0.000 1.158 535 A CA 1.789 53.793 52.037 -0.055 0.000 0.661 535 A CB -0.352 18.616 19.000 -0.052 0.000 0.801 535 A HN 0.519 nan 8.150 nan 0.000 0.452 536 K N -0.221 120.153 120.400 -0.042 0.000 2.044 536 K HA -0.024 4.289 4.320 -0.011 0.000 0.204 536 K C 1.840 178.429 176.600 -0.018 0.000 1.049 536 K CA 1.271 57.543 56.287 -0.026 0.000 0.945 536 K CB -0.221 32.270 32.500 -0.015 0.000 0.724 536 K HN 0.202 nan 8.250 nan 0.000 0.440 537 V N 2.109 122.011 119.914 -0.019 0.000 2.282 537 V HA -0.289 3.825 4.120 -0.011 0.000 0.249 537 V C 2.390 178.483 176.094 -0.003 0.000 1.057 537 V CA 2.147 64.443 62.300 -0.006 0.000 1.032 537 V CB -0.501 31.316 31.823 -0.010 0.000 0.645 537 V HN 0.343 nan 8.190 nan 0.000 0.447 538 K N -0.251 120.143 120.400 -0.011 0.000 2.097 538 K HA -0.154 4.160 4.320 -0.011 0.000 0.206 538 K C 2.176 178.758 176.600 -0.030 0.000 1.049 538 K CA 1.443 57.727 56.287 -0.004 0.000 0.933 538 K CB -0.328 32.180 32.500 0.014 0.000 0.717 538 K HN 0.412 nan 8.250 nan 0.000 0.442 539 Q N 0.203 119.980 119.800 -0.038 0.000 2.172 539 Q HA -0.090 4.244 4.340 -0.011 0.000 0.200 539 Q C 1.821 177.808 176.000 -0.022 0.000 0.964 539 Q CA 1.062 56.833 55.803 -0.053 0.000 0.855 539 Q CB 0.121 28.831 28.738 -0.047 0.000 0.918 539 Q HN 0.487 nan 8.270 nan 0.000 0.444 540 E N 0.575 120.774 120.200 -0.001 0.000 2.077 540 E HA -0.158 4.185 4.350 -0.011 0.000 0.193 540 E C 1.664 178.291 176.600 0.046 0.000 0.989 540 E CA 0.789 57.202 56.400 0.022 0.000 0.800 540 E CB 0.070 29.783 29.700 0.022 0.000 0.746 540 E HN 0.327 nan 8.360 nan 0.000 0.452 541 N N 0.953 119.681 118.700 0.046 0.000 2.188 541 N HA -0.118 4.615 4.740 -0.011 0.000 0.184 541 N C 1.562 177.153 175.510 0.135 0.000 1.018 541 N CA 0.968 54.067 53.050 0.082 0.000 0.858 541 N CB -0.122 38.401 38.487 0.060 0.000 0.989 541 N HN 0.145 nan 8.380 nan 0.000 0.426 542 K N 0.443 120.877 120.400 0.057 0.000 2.097 542 K HA 0.049 4.362 4.320 -0.011 0.000 0.205 542 K C 1.998 178.699 176.600 0.169 0.000 1.050 542 K CA 0.616 56.926 56.287 0.037 0.000 0.938 542 K CB -0.113 32.129 32.500 -0.429 0.000 0.718 542 K HN 0.109 nan 8.250 nan 0.000 0.442 543 L N 0.803 122.084 121.223 0.097 0.000 2.093 543 L HA -0.164 4.169 4.340 -0.011 0.000 0.208 543 L C 2.119 179.081 176.870 0.154 0.000 1.085 543 L CA 1.045 55.955 54.840 0.117 0.000 0.755 543 L CB -0.190 41.910 42.059 0.067 0.000 0.904 543 L HN -0.037 nan 8.230 nan 0.000 0.435 544 K N -0.484 120.014 120.400 0.163 0.000 2.097 544 K HA -0.141 4.173 4.320 -0.011 0.000 0.205 544 K C 1.829 178.581 176.600 0.253 0.000 1.050 544 K CA 1.309 57.702 56.287 0.177 0.000 0.938 544 K CB -0.443 32.149 32.500 0.155 0.000 0.718 544 K HN 0.086 nan 8.250 nan 0.000 0.442 545 F N 0.537 120.593 119.950 0.176 0.000 2.293 545 F HA 0.055 4.576 4.527 -0.011 0.000 0.297 545 F C 1.849 177.805 175.800 0.259 0.000 1.089 545 F CA 0.779 58.903 58.000 0.207 0.000 1.377 545 F CB -0.334 38.793 39.000 0.212 0.000 1.051 545 F HN -0.007 nan 8.300 nan 0.000 0.511 546 A N 0.105 123.076 122.820 0.251 0.000 1.933 546 A HA -0.020 4.294 4.320 -0.011 0.000 0.218 546 A C 2.370 179.990 177.584 0.061 0.000 1.175 546 A CA 1.660 53.798 52.037 0.168 0.000 0.628 546 A CB -1.349 17.811 19.000 0.267 0.000 0.814 546 A HN 0.413 nan 8.150 nan 0.000 0.444 547 A N -1.574 121.295 122.820 0.081 0.000 1.898 547 A HA 0.019 4.333 4.320 -0.011 0.000 0.214 547 A C 2.090 179.682 177.584 0.014 0.000 1.183 547 A CA 1.388 53.455 52.037 0.050 0.000 0.622 547 A CB -0.793 18.249 19.000 0.070 0.000 0.824 547 A HN 0.712 nan 8.150 nan 0.000 0.444 548 Y N 0.258 120.494 120.300 -0.106 0.000 2.128 548 Y HA -0.227 4.316 4.550 -0.010 0.000 0.284 548 Y C 1.887 177.675 175.900 -0.186 0.000 1.154 548 Y CA 1.860 59.875 58.100 -0.141 0.000 1.149 548 Y CB -0.402 37.968 38.460 -0.149 0.000 0.976 548 Y HN 0.201 nan 8.280 nan 0.000 0.505 549 L N 0.718 121.888 121.223 -0.088 0.000 1.970 549 L HA -0.217 4.116 4.340 -0.011 0.000 0.212 549 L C 2.575 179.382 176.870 -0.105 0.000 1.071 549 L CA 2.144 56.923 54.840 -0.100 0.000 0.751 549 L CB -1.175 40.761 42.059 -0.205 0.000 0.889 549 L HN 0.255 nan 8.230 nan 0.000 0.432 550 E N -0.232 119.912 120.200 -0.094 0.000 2.077 550 E HA -0.200 4.143 4.350 -0.011 0.000 0.193 550 E C 2.241 178.767 176.600 -0.124 0.000 0.989 550 E CA 1.181 57.523 56.400 -0.096 0.000 0.800 550 E CB 0.053 29.739 29.700 -0.024 0.000 0.746 550 E HN 0.583 nan 8.360 nan 0.000 0.452 551 R N 0.395 120.800 120.500 -0.157 0.000 2.072 551 R HA -0.000 4.334 4.340 -0.011 0.000 0.221 551 R C 2.289 178.425 176.300 -0.274 0.000 1.166 551 R CA 1.244 57.235 56.100 -0.182 0.000 0.917 551 R CB -0.813 29.383 30.300 -0.174 0.000 0.815 551 R HN -0.101 nan 8.270 nan 0.000 0.444 552 E N -0.459 119.447 120.200 -0.490 0.000 2.171 552 E HA -0.176 4.168 4.350 -0.011 0.000 0.197 552 E C 0.422 176.649 176.600 -0.622 0.000 0.997 552 E CA 1.379 57.364 56.400 -0.691 0.000 0.810 552 E CB 0.101 29.043 29.700 -1.263 0.000 0.738 552 E HN 0.463 nan 8.360 nan 0.000 0.467 553 Y N -0.864 119.283 120.300 -0.254 0.000 2.738 553 Y HA 0.220 4.764 4.550 -0.011 0.000 0.249 553 Y C -0.163 175.652 175.900 -0.141 0.000 1.157 553 Y CA -0.632 57.381 58.100 -0.146 0.000 1.189 553 Y CB 0.783 39.185 38.460 -0.097 0.000 1.262 553 Y HN -0.220 nan 8.280 nan 0.000 0.554 554 K N -0.470 119.898 120.400 -0.054 0.000 2.948 554 K HA -0.207 4.107 4.320 -0.011 0.000 0.253 554 K C 1.187 177.621 176.600 -0.278 0.000 0.970 554 K CA 1.086 57.289 56.287 -0.139 0.000 0.716 554 K CB -2.295 30.151 32.500 -0.090 0.000 1.249 554 K HN 0.452 nan 8.250 nan 0.000 0.483 555 V N -2.796 116.979 119.914 -0.233 0.000 2.599 555 V HA -0.033 4.080 4.120 -0.011 0.000 0.245 555 V C 0.415 176.351 176.094 -0.263 0.000 1.046 555 V CA 0.855 63.018 62.300 -0.229 0.000 1.065 555 V CB -1.067 30.706 31.823 -0.083 0.000 0.703 555 V HN 0.597 nan 8.190 nan 0.000 0.464 556 H N 1.018 120.090 119.070 0.003 0.000 2.953 556 H HA -0.117 4.433 4.556 -0.011 0.000 0.270 556 H C -0.534 174.797 175.328 0.004 0.000 0.737 556 H CA 0.473 56.526 56.048 0.008 0.000 0.847 556 H CB -2.081 27.691 29.762 0.016 0.000 1.462 556 H HN 0.920 nan 8.280 nan 0.000 0.284 557 I N -1.002 119.649 120.570 0.135 0.000 2.785 557 I HA 0.539 4.703 4.170 -0.011 0.000 0.302 557 I C -0.006 176.197 176.117 0.143 0.000 1.069 557 I CA -1.407 59.950 61.300 0.094 0.000 1.045 557 I CB 2.291 40.304 38.000 0.022 0.000 1.236 557 I HN 0.557 nan 8.210 nan 0.000 0.429 558 N N 4.879 123.667 118.700 0.146 0.000 2.406 558 N HA 0.370 5.103 4.740 -0.011 0.000 0.251 558 N C -2.002 173.652 175.510 0.241 0.000 1.069 558 N CA -2.368 50.773 53.050 0.152 0.000 0.947 558 N CB 0.982 39.530 38.487 0.102 0.000 1.111 558 N HN 0.388 nan 8.380 nan 0.000 0.497 559 P HA -0.010 nan 4.420 nan 0.000 0.231 559 P C -0.110 177.173 177.300 -0.028 0.000 1.158 559 P CA 1.048 64.221 63.100 0.122 0.000 0.763 559 P CB 0.171 31.920 31.700 0.081 0.000 0.805 560 N N -1.413 117.313 118.700 0.043 0.000 2.336 560 N HA 0.011 4.744 4.740 -0.011 0.000 0.189 560 N C 0.193 175.750 175.510 0.079 0.000 1.113 560 N CA -0.080 52.989 53.050 0.033 0.000 0.858 560 N CB 0.082 38.596 38.487 0.044 0.000 0.970 560 N HN 0.164 nan 8.380 nan 0.000 0.471 561 S N -0.258 115.495 115.700 0.089 0.000 2.693 561 S HA 0.297 4.760 4.470 -0.011 0.000 0.276 561 S C -0.006 174.553 174.600 -0.069 0.000 1.192 561 S CA -0.972 57.259 58.200 0.052 0.000 0.994 561 S CB 1.258 64.501 63.200 0.072 0.000 1.012 561 S HN 0.134 nan 8.310 nan 0.000 0.550 562 L N 1.659 122.626 121.223 -0.426 0.000 2.462 562 L HA 0.289 4.622 4.340 -0.011 0.000 0.272 562 L C -1.149 175.665 176.870 -0.094 0.000 1.166 562 L CA -0.322 54.065 54.840 -0.756 0.000 0.880 562 L CB -0.132 41.306 42.059 -1.035 0.000 1.142 562 L HN 0.615 nan 8.230 nan 0.000 0.473 563 F N 3.739 123.556 119.950 -0.223 0.000 2.335 563 F HA 0.214 4.735 4.527 -0.009 0.000 0.365 563 F C 0.265 176.005 175.800 -0.101 0.000 1.122 563 F CA -1.144 56.800 58.000 -0.093 0.000 1.151 563 F CB 0.526 39.524 39.000 -0.003 0.000 1.282 563 F HN 0.391 nan 8.300 nan 0.000 0.513 564 D N 3.789 124.192 120.400 0.005 0.000 2.396 564 D HA 0.309 4.943 4.640 -0.011 0.000 0.225 564 D C -1.088 175.167 176.300 -0.075 0.000 1.121 564 D CA 0.065 54.029 54.000 -0.060 0.000 0.853 564 D CB 1.174 41.922 40.800 -0.086 0.000 1.043 564 D HN 0.293 nan 8.370 nan 0.000 0.500 565 V N 3.619 123.480 119.914 -0.088 0.000 2.638 565 V HA 0.477 4.591 4.120 -0.011 0.000 0.306 565 V C -1.414 174.612 176.094 -0.114 0.000 1.052 565 V CA -0.697 61.555 62.300 -0.080 0.000 0.885 565 V CB 1.849 33.680 31.823 0.014 0.000 0.999 565 V HN 0.517 nan 8.190 nan 0.000 0.424 566 Q N 4.730 124.455 119.800 -0.124 0.000 2.394 566 Q HA 0.687 5.021 4.340 -0.011 0.000 0.259 566 Q C -1.242 174.637 176.000 -0.202 0.000 1.021 566 Q CA -0.651 55.070 55.803 -0.138 0.000 0.805 566 Q CB 1.772 30.430 28.738 -0.134 0.000 1.226 566 Q HN 1.062 nan 8.270 nan 0.000 0.476 567 V N 2.461 122.250 119.914 -0.208 0.000 2.443 567 V HA 0.807 4.920 4.120 -0.011 0.000 0.293 567 V C -0.872 174.953 176.094 -0.448 0.000 1.021 567 V CA -0.635 61.331 62.300 -0.557 0.000 0.848 567 V CB 1.074 32.461 31.823 -0.727 0.000 0.998 567 V HN 0.813 nan 8.190 nan 0.000 0.424 568 K N 2.711 122.878 120.400 -0.388 0.000 2.809 568 K HA 0.457 4.771 4.320 -0.011 0.000 0.293 568 K C -1.262 175.328 176.600 -0.018 0.000 1.061 568 K CA -1.096 55.146 56.287 -0.074 0.000 0.837 568 K CB 1.015 33.476 32.500 -0.065 0.000 1.524 568 K HN 0.427 nan 8.250 nan 0.000 0.370 569 R N 0.778 121.321 120.500 0.072 0.000 2.679 569 R HA 0.190 4.523 4.340 -0.011 0.000 0.268 569 R C 0.316 176.641 176.300 0.043 0.000 1.044 569 R CA -0.378 55.780 56.100 0.096 0.000 1.105 569 R CB -0.107 30.272 30.300 0.131 0.000 0.989 569 R HN 0.466 nan 8.270 nan 0.000 0.447 570 I N 4.560 125.180 120.570 0.082 0.000 2.389 570 I HA 0.040 4.203 4.170 -0.011 0.000 0.295 570 I C 0.608 176.766 176.117 0.068 0.000 1.117 570 I CA 0.365 61.687 61.300 0.038 0.000 1.317 570 I CB -0.792 37.230 38.000 0.037 0.000 1.431 570 I HN 0.298 nan 8.210 nan 0.000 0.521 571 H N 5.412 124.412 119.070 -0.116 0.000 2.851 571 H HA 0.295 4.845 4.556 -0.010 0.000 0.372 571 H C 0.696 175.894 175.328 -0.215 0.000 1.158 571 H CA -0.527 55.475 56.048 -0.076 0.000 1.159 571 H CB 1.754 31.379 29.762 -0.227 0.000 1.757 571 H HN 0.540 nan 8.280 nan 0.000 0.546 572 E N 2.235 122.634 120.200 0.331 0.000 2.048 572 E HA -0.320 4.023 4.350 -0.011 0.000 0.202 572 E C 1.361 177.713 176.600 -0.413 0.000 1.021 572 E CA 2.313 58.759 56.400 0.077 0.000 0.825 572 E CB -0.319 29.601 29.700 0.366 0.000 0.756 572 E HN 0.687 nan 8.360 nan 0.000 0.454 573 Y N 1.207 120.812 120.300 -1.158 0.000 2.446 573 Y HA -0.145 4.399 4.550 -0.011 0.000 0.287 573 Y C 1.399 176.972 175.900 -0.546 0.000 1.159 573 Y CA 1.085 58.419 58.100 -1.277 0.000 1.297 573 Y CB -0.185 37.411 38.460 -1.441 0.000 0.974 573 Y HN -0.137 nan 8.280 nan 0.000 0.557 574 K N 0.559 120.436 120.400 -0.872 0.000 2.400 574 K HA 0.111 4.425 4.320 -0.011 0.000 0.194 574 K C 0.095 176.512 176.600 -0.305 0.000 1.033 574 K CA 0.388 56.312 56.287 -0.604 0.000 1.021 574 K CB 0.066 32.219 32.500 -0.578 0.000 0.808 574 K HN 0.203 nan 8.250 nan 0.000 0.505 575 R N 1.000 121.350 120.500 -0.250 0.000 3.209 575 R HA -0.183 4.151 4.340 -0.011 0.000 0.252 575 R C 0.155 176.379 176.300 -0.126 0.000 0.958 575 R CA -0.030 55.980 56.100 -0.151 0.000 0.651 575 R CB -1.510 28.713 30.300 -0.129 0.000 1.142 575 R HN 0.224 nan 8.270 nan 0.000 0.441 576 Q N 0.122 119.856 119.800 -0.111 0.000 2.297 576 Q HA 0.021 4.354 4.340 -0.011 0.000 0.204 576 Q C 1.808 177.771 176.000 -0.063 0.000 0.962 576 Q CA 1.124 56.877 55.803 -0.084 0.000 0.879 576 Q CB 0.139 28.836 28.738 -0.068 0.000 0.947 576 Q HN 0.604 nan 8.270 nan 0.000 0.462 577 L N -0.615 120.574 121.223 -0.055 0.000 2.093 577 L HA -0.160 4.174 4.340 -0.011 0.000 0.208 577 L C 1.921 178.797 176.870 0.010 0.000 1.085 577 L CA 0.541 55.363 54.840 -0.031 0.000 0.755 577 L CB -0.318 41.735 42.059 -0.010 0.000 0.904 577 L HN 0.278 nan 8.230 nan 0.000 0.435 578 L N 0.090 121.308 121.223 -0.009 0.000 2.027 578 L HA -0.223 4.111 4.340 -0.011 0.000 0.206 578 L C 2.117 179.016 176.870 0.047 0.000 1.074 578 L CA 1.887 56.730 54.840 0.006 0.000 0.745 578 L CB -0.852 41.111 42.059 -0.161 0.000 0.898 578 L HN 0.301 nan 8.230 nan 0.000 0.433 579 N N -1.556 117.136 118.700 -0.013 0.000 2.104 579 N HA -0.244 4.490 4.740 -0.011 0.000 0.190 579 N C 1.890 177.484 175.510 0.139 0.000 1.024 579 N CA 1.657 54.793 53.050 0.143 0.000 0.853 579 N CB -0.116 38.397 38.487 0.043 0.000 1.008 579 N HN 0.495 nan 8.380 nan 0.000 0.424 580 C N 0.598 119.919 119.300 0.034 0.000 2.425 580 C HA -0.021 4.433 4.460 -0.011 0.000 0.277 580 C C 2.603 177.597 174.990 0.006 0.000 1.280 580 C CA 0.165 59.161 59.018 -0.037 0.000 1.744 580 C CB -1.218 26.444 27.740 -0.129 0.000 1.989 580 C HN 0.517 nan 8.230 nan 0.000 0.491 581 L N 0.014 121.299 121.223 0.104 0.000 2.046 581 L HA -0.199 4.135 4.340 -0.011 0.000 0.208 581 L C 2.729 179.758 176.870 0.265 0.000 1.077 581 L CA 1.888 56.846 54.840 0.196 0.000 0.747 581 L CB -1.232 41.023 42.059 0.326 0.000 0.896 581 L HN 0.603 nan 8.230 nan 0.000 0.432 582 H N -0.067 119.112 119.070 0.182 0.000 2.353 582 H HA -0.134 4.416 4.556 -0.011 0.000 0.300 582 H C 2.221 177.552 175.328 0.004 0.000 1.090 582 H CA 1.763 57.842 56.048 0.052 0.000 1.327 582 H CB 0.394 30.170 29.762 0.025 0.000 1.383 582 H HN 0.090 nan 8.280 nan 0.000 0.508 583 V N 1.388 121.206 119.914 -0.160 0.000 2.358 583 V HA -0.240 3.874 4.120 -0.011 0.000 0.246 583 V C 2.769 178.819 176.094 -0.074 0.000 1.047 583 V CA 1.663 63.837 62.300 -0.210 0.000 1.035 583 V CB -0.406 31.349 31.823 -0.114 0.000 0.658 583 V HN 0.394 nan 8.190 nan 0.000 0.452 584 I N -0.320 120.257 120.570 0.013 0.000 2.394 584 I HA -0.199 3.964 4.170 -0.011 0.000 0.251 584 I C 2.467 178.688 176.117 0.172 0.000 1.136 584 I CA 1.521 62.928 61.300 0.178 0.000 1.425 584 I CB -0.604 37.477 38.000 0.134 0.000 1.079 584 I HN 0.326 nan 8.210 nan 0.000 0.425 585 T N 1.324 115.925 114.554 0.078 0.000 2.652 585 T HA -0.163 4.180 4.350 -0.011 0.000 0.267 585 T C 1.881 176.567 174.700 -0.024 0.000 1.039 585 T CA 1.249 63.380 62.100 0.052 0.000 1.153 585 T CB -0.285 68.619 68.868 0.061 0.000 0.863 585 T HN 0.073 nan 8.240 nan 0.000 0.428 586 L N 0.272 121.421 121.223 -0.123 0.000 2.042 586 L HA -0.072 4.262 4.340 -0.011 0.000 0.210 586 L C 2.138 178.986 176.870 -0.037 0.000 1.076 586 L CA 1.545 56.303 54.840 -0.137 0.000 0.749 586 L CB -1.218 40.689 42.059 -0.252 0.000 0.893 586 L HN 0.337 nan 8.230 nan 0.000 0.432 587 Y N 0.639 120.898 120.300 -0.068 0.000 2.097 587 Y HA -0.260 4.284 4.550 -0.011 0.000 0.282 587 Y C 2.451 178.354 175.900 0.005 0.000 1.152 587 Y CA 1.915 60.012 58.100 -0.004 0.000 1.136 587 Y CB -0.359 38.150 38.460 0.082 0.000 0.975 587 Y HN 0.283 nan 8.280 nan 0.000 0.498 588 N N 0.181 118.788 118.700 -0.155 0.000 2.270 588 N HA -0.088 4.646 4.740 -0.011 0.000 0.181 588 N C 1.732 177.131 175.510 -0.186 0.000 1.016 588 N CA 0.976 53.882 53.050 -0.240 0.000 0.870 588 N CB -0.267 38.175 38.487 -0.076 0.000 0.979 588 N HN 0.431 nan 8.380 nan 0.000 0.431 589 R N 1.073 121.498 120.500 -0.124 0.000 2.241 589 R HA -0.002 4.332 4.340 -0.011 0.000 0.224 589 R C 1.973 178.201 176.300 -0.119 0.000 1.101 589 R CA 0.720 56.758 56.100 -0.103 0.000 0.995 589 R CB -0.218 30.032 30.300 -0.084 0.000 0.870 589 R HN 0.459 nan 8.270 nan 0.000 0.463 590 I N -3.045 117.433 120.570 -0.154 0.000 4.035 590 I HA 0.129 4.293 4.170 -0.011 0.000 0.321 590 I C 1.297 177.312 176.117 -0.169 0.000 1.289 590 I CA 0.114 61.331 61.300 -0.139 0.000 1.236 590 I CB 0.098 38.026 38.000 -0.120 0.000 1.076 590 I HN -0.241 nan 8.210 nan 0.000 0.418 591 K N 1.853 122.094 120.400 -0.265 0.000 2.296 591 K HA -0.038 4.275 4.320 -0.011 0.000 0.200 591 K C 1.819 178.317 176.600 -0.171 0.000 1.048 591 K CA 0.924 57.057 56.287 -0.258 0.000 0.966 591 K CB -0.029 32.226 32.500 -0.409 0.000 0.754 591 K HN 0.216 nan 8.250 nan 0.000 0.466 592 K N 1.138 121.447 120.400 -0.151 0.000 2.262 592 K HA 0.034 4.348 4.320 -0.011 0.000 0.200 592 K C -0.021 176.531 176.600 -0.080 0.000 1.049 592 K CA 0.756 56.979 56.287 -0.107 0.000 0.979 592 K CB 0.533 32.975 32.500 -0.097 0.000 0.773 592 K HN -0.037 nan 8.250 nan 0.000 0.474 593 E N -0.168 119.985 120.200 -0.078 0.000 3.108 593 E HA 0.170 4.514 4.350 -0.011 0.000 0.228 593 E C -2.279 174.290 176.600 -0.051 0.000 1.176 593 E CA -1.711 54.657 56.400 -0.055 0.000 0.881 593 E CB 1.404 31.076 29.700 -0.045 0.000 1.354 593 E HN 0.001 nan 8.360 nan 0.000 0.400 594 P HA -0.128 nan 4.420 nan 0.000 0.215 594 P C 0.083 177.372 177.300 -0.017 0.000 1.153 594 P CA 1.142 64.218 63.100 -0.040 0.000 0.853 594 P CB 0.248 31.928 31.700 -0.033 0.000 0.788 595 N N -1.041 117.656 118.700 -0.005 0.000 2.327 595 N HA 0.045 4.778 4.740 -0.011 0.000 0.231 595 N C 0.188 175.719 175.510 0.035 0.000 1.130 595 N CA 0.044 53.104 53.050 0.017 0.000 0.845 595 N CB -0.070 38.424 38.487 0.012 0.000 1.073 595 N HN 0.029 nan 8.380 nan 0.000 0.496 596 K N 0.942 121.358 120.400 0.026 0.000 2.159 596 K HA 0.200 4.514 4.320 -0.011 0.000 0.266 596 K C -1.080 175.564 176.600 0.073 0.000 0.975 596 K CA -0.667 55.649 56.287 0.048 0.000 0.865 596 K CB 0.800 33.304 32.500 0.007 0.000 1.087 596 K HN -0.008 nan 8.250 nan 0.000 0.446 597 F N 5.049 124.985 119.950 -0.023 0.000 2.427 597 F HA 0.261 4.782 4.527 -0.011 0.000 0.352 597 F C -0.429 175.357 175.800 -0.024 0.000 1.100 597 F CA -0.322 57.666 58.000 -0.021 0.000 1.191 597 F CB 0.683 39.673 39.000 -0.017 0.000 1.128 597 F HN 0.186 nan 8.300 nan 0.000 0.533 598 V N 4.287 123.677 119.914 -0.874 0.000 2.962 598 V HA 0.593 4.706 4.120 -0.011 0.000 0.313 598 V C -0.777 174.627 176.094 -1.149 0.000 1.099 598 V CA -1.166 60.714 62.300 -0.700 0.000 0.971 598 V CB 1.117 32.731 31.823 -0.349 0.000 1.028 598 V HN 0.573 nan 8.190 nan 0.000 0.430 599 V N 4.402 123.932 119.914 -0.642 0.000 2.540 599 V HA 0.228 4.341 4.120 -0.011 0.000 0.297 599 V C -1.873 174.041 176.094 -0.301 0.000 1.024 599 V CA -0.335 61.745 62.300 -0.366 0.000 1.105 599 V CB 0.746 32.494 31.823 -0.125 0.000 0.938 599 V HN 0.944 nan 8.190 nan 0.000 0.482 600 P HA 0.423 nan 4.420 nan 0.000 0.279 600 P C -0.882 176.330 177.300 -0.146 0.000 1.239 600 P CA -0.413 62.596 63.100 -0.151 0.000 0.789 600 P CB 0.599 32.258 31.700 -0.068 0.000 0.933 601 R N 0.010 120.434 120.500 -0.127 0.000 2.740 601 R HA 0.653 4.986 4.340 -0.011 0.000 0.273 601 R C -1.394 174.866 176.300 -0.068 0.000 0.998 601 R CA -0.696 55.333 56.100 -0.118 0.000 0.900 601 R CB 0.486 30.681 30.300 -0.175 0.000 1.223 601 R HN 0.165 nan 8.270 nan 0.000 0.466 602 T N 1.923 116.457 114.554 -0.033 0.000 2.753 602 T HA 0.258 4.601 4.350 -0.011 0.000 0.297 602 T C -0.139 174.482 174.700 -0.131 0.000 0.981 602 T CA -0.532 61.509 62.100 -0.098 0.000 0.956 602 T CB 1.042 69.797 68.868 -0.189 0.000 0.936 602 T HN 0.330 nan 8.240 nan 0.000 0.463 603 V N 5.779 125.622 119.914 -0.119 0.000 2.368 603 V HA 0.388 4.502 4.120 -0.011 0.000 0.266 603 V C 0.113 176.131 176.094 -0.126 0.000 1.045 603 V CA -0.412 61.823 62.300 -0.108 0.000 0.899 603 V CB 0.450 32.221 31.823 -0.087 0.000 1.006 603 V HN 0.869 nan 8.190 nan 0.000 0.470 604 M N 6.485 126.000 119.600 -0.141 0.000 2.125 604 M HA 0.594 5.068 4.480 -0.011 0.000 0.321 604 M C -0.989 175.194 176.300 -0.194 0.000 0.983 604 M CA -0.111 55.090 55.300 -0.165 0.000 0.934 604 M CB 1.863 34.367 32.600 -0.159 0.000 1.542 604 M HN 0.460 nan 8.290 nan 0.000 0.424 605 I N 2.028 122.443 120.570 -0.258 0.000 2.465 605 I HA 0.827 4.991 4.170 -0.011 0.000 0.291 605 I C 0.165 175.875 176.117 -0.678 0.000 1.014 605 I CA -0.600 60.509 61.300 -0.319 0.000 1.093 605 I CB 2.267 40.175 38.000 -0.155 0.000 1.267 605 I HN 0.767 nan 8.210 nan 0.000 0.431 606 G N 2.920 111.332 108.800 -0.646 0.000 2.690 606 G HA2 0.819 4.773 3.960 -0.011 0.000 0.293 606 G HA3 0.819 4.773 3.960 -0.011 0.000 0.293 606 G C -0.996 173.591 174.900 -0.522 0.000 1.399 606 G CA -0.665 43.966 45.100 -0.781 0.000 0.890 606 G HN 0.997 nan 8.290 nan 0.000 0.485 607 G N -0.432 108.234 108.800 -0.223 0.000 2.337 607 G HA2 0.380 4.333 3.960 -0.011 0.000 0.310 607 G HA3 0.380 4.333 3.960 -0.011 0.000 0.310 607 G C -1.369 173.671 174.900 0.233 0.000 1.534 607 G CA -1.048 44.073 45.100 0.034 0.000 0.982 607 G HN 0.598 nan 8.290 nan 0.000 0.672 608 K N 0.062 120.610 120.400 0.246 0.000 2.159 608 K HA 0.719 5.033 4.320 -0.011 0.000 0.266 608 K C 0.325 177.101 176.600 0.292 0.000 0.975 608 K CA -0.214 56.244 56.287 0.286 0.000 0.865 608 K CB 2.072 34.668 32.500 0.160 0.000 1.087 608 K HN 0.889 nan 8.250 nan 0.000 0.446 609 A N 1.933 124.951 122.820 0.329 0.000 2.301 609 A HA 0.547 4.861 4.320 -0.011 0.000 0.298 609 A C -0.126 177.685 177.584 0.379 0.000 1.185 609 A CA -0.581 51.621 52.037 0.275 0.000 0.830 609 A CB 0.594 19.683 19.000 0.148 0.000 1.112 609 A HN 0.801 nan 8.150 nan 0.000 0.508 610 A N 4.273 127.329 122.820 0.394 0.000 2.511 610 A HA 0.456 4.769 4.320 -0.011 0.000 0.242 610 A C -1.235 176.452 177.584 0.170 0.000 1.069 610 A CA -0.814 51.430 52.037 0.345 0.000 0.763 610 A CB -0.337 18.879 19.000 0.359 0.000 1.001 610 A HN 0.634 nan 8.150 nan 0.000 0.498 611 P HA -0.153 nan 4.420 nan 0.000 0.217 611 P C 1.181 178.461 177.300 -0.033 0.000 1.151 611 P CA 2.057 65.075 63.100 -0.136 0.000 0.849 611 P CB 0.225 31.773 31.700 -0.253 0.000 0.787 612 G N -3.259 105.546 108.800 0.008 0.000 3.502 612 G HA2 -0.039 3.914 3.960 -0.011 0.000 0.267 612 G HA3 -0.039 3.914 3.960 -0.011 0.000 0.267 612 G C -0.477 174.490 174.900 0.111 0.000 1.090 612 G CA 0.003 45.114 45.100 0.019 0.000 0.795 612 G HN 0.137 nan 8.290 nan 0.000 0.535 613 Y N 2.035 122.337 120.300 0.003 0.000 2.650 613 Y HA 0.227 4.771 4.550 -0.011 0.000 0.343 613 Y C 1.350 177.310 175.900 0.099 0.000 1.078 613 Y CA -1.868 56.263 58.100 0.052 0.000 1.356 613 Y CB -0.485 38.067 38.460 0.153 0.000 1.204 613 Y HN 0.410 nan 8.280 nan 0.000 0.508 614 H N 3.988 123.168 119.070 0.182 0.000 2.387 614 H HA -0.191 4.359 4.556 -0.010 0.000 0.299 614 H C 1.439 176.779 175.328 0.019 0.000 1.099 614 H CA 2.059 58.157 56.048 0.083 0.000 1.315 614 H CB 0.484 30.295 29.762 0.081 0.000 1.380 614 H HN 0.618 nan 8.280 nan 0.000 0.513 615 M N 0.994 120.515 119.600 -0.132 0.000 2.077 615 M HA -0.035 4.439 4.480 -0.011 0.000 0.261 615 M C 2.704 178.746 176.300 -0.429 0.000 1.070 615 M CA 1.847 56.989 55.300 -0.262 0.000 1.125 615 M CB -1.072 31.503 32.600 -0.042 0.000 1.339 615 M HN 0.324 nan 8.290 nan 0.000 0.409 616 A N -0.303 122.013 122.820 -0.840 0.000 1.948 616 A HA -0.234 4.080 4.320 -0.011 0.000 0.220 616 A C 2.212 179.637 177.584 -0.265 0.000 1.177 616 A CA 2.048 53.742 52.037 -0.573 0.000 0.636 616 A CB -0.768 17.820 19.000 -0.687 0.000 0.815 616 A HN 0.593 nan 8.150 nan 0.000 0.449 617 K N -1.358 118.927 120.400 -0.191 0.000 2.211 617 K HA -0.060 4.254 4.320 -0.011 0.000 0.203 617 K C 1.837 178.424 176.600 -0.022 0.000 1.050 617 K CA 1.200 57.466 56.287 -0.036 0.000 0.945 617 K CB -0.189 32.349 32.500 0.063 0.000 0.732 617 K HN 0.359 nan 8.250 nan 0.000 0.451 618 M N 0.340 119.867 119.600 -0.122 0.000 2.288 618 M HA -0.027 4.447 4.480 -0.011 0.000 0.266 618 M C 2.030 178.289 176.300 -0.068 0.000 1.072 618 M CA 1.215 56.467 55.300 -0.080 0.000 1.132 618 M CB -0.476 32.032 32.600 -0.153 0.000 1.386 618 M HN 0.109 nan 8.290 nan 0.000 0.432 619 I N -0.170 120.327 120.570 -0.121 0.000 2.226 619 I HA -0.301 3.863 4.170 -0.011 0.000 0.245 619 I C 2.208 178.233 176.117 -0.153 0.000 1.100 619 I CA 1.148 62.374 61.300 -0.123 0.000 1.374 619 I CB -0.252 37.676 38.000 -0.121 0.000 1.057 619 I HN 0.156 nan 8.210 nan 0.000 0.413 620 I N 0.488 120.943 120.570 -0.191 0.000 2.315 620 I HA -0.275 3.888 4.170 -0.011 0.000 0.248 620 I C 2.519 178.379 176.117 -0.428 0.000 1.117 620 I CA 1.037 62.124 61.300 -0.356 0.000 1.404 620 I CB -0.248 37.515 38.000 -0.395 0.000 1.071 620 I HN 0.132 nan 8.210 nan 0.000 0.419 621 K N 1.512 121.663 120.400 -0.415 0.000 2.057 621 K HA -0.129 4.185 4.320 -0.011 0.000 0.207 621 K C 2.005 178.492 176.600 -0.187 0.000 1.049 621 K CA 1.459 57.406 56.287 -0.567 0.000 0.931 621 K CB -0.563 31.285 32.500 -1.087 0.000 0.714 621 K HN 0.210 nan 8.250 nan 0.000 0.440 622 L N 0.370 121.550 121.223 -0.073 0.000 1.990 622 L HA -0.221 4.113 4.340 -0.011 0.000 0.213 622 L C 2.212 178.885 176.870 -0.328 0.000 1.072 622 L CA 1.858 56.478 54.840 -0.368 0.000 0.755 622 L CB -0.323 41.424 42.059 -0.520 0.000 0.889 622 L HN 0.250 nan 8.230 nan 0.000 0.432 623 I N -0.478 119.949 120.570 -0.238 0.000 2.208 623 I HA -0.325 3.839 4.170 -0.011 0.000 0.245 623 I C 2.620 178.658 176.117 -0.132 0.000 1.097 623 I CA 1.875 63.085 61.300 -0.150 0.000 1.363 623 I CB -0.688 37.320 38.000 0.013 0.000 1.051 623 I HN 0.444 nan 8.210 nan 0.000 0.413 624 T N -0.622 113.823 114.554 -0.183 0.000 2.777 624 T HA -0.072 4.272 4.350 -0.011 0.000 0.266 624 T C 2.076 176.713 174.700 -0.106 0.000 1.040 624 T CA 0.901 62.912 62.100 -0.149 0.000 1.141 624 T CB -0.625 68.094 68.868 -0.248 0.000 0.868 624 T HN 0.336 nan 8.240 nan 0.000 0.444 625 A N 1.664 124.425 122.820 -0.098 0.000 1.948 625 A HA 0.019 4.332 4.320 -0.011 0.000 0.220 625 A C 2.392 179.995 177.584 0.031 0.000 1.177 625 A CA 1.621 53.659 52.037 0.002 0.000 0.636 625 A CB -0.949 18.124 19.000 0.122 0.000 0.815 625 A HN 0.632 nan 8.150 nan 0.000 0.449 626 I N -0.588 119.909 120.570 -0.121 0.000 2.202 626 I HA -0.170 3.993 4.170 -0.011 0.000 0.242 626 I C 2.713 178.787 176.117 -0.072 0.000 1.091 626 I CA 1.131 62.363 61.300 -0.114 0.000 1.368 626 I CB -0.675 37.142 38.000 -0.306 0.000 1.058 626 I HN 0.386 nan 8.210 nan 0.000 0.410 627 G N 0.305 109.052 108.800 -0.088 0.000 2.432 627 G HA2 -0.229 3.724 3.960 -0.011 0.000 0.219 627 G HA3 -0.229 3.724 3.960 -0.011 0.000 0.219 627 G C 1.265 176.114 174.900 -0.085 0.000 1.135 627 G CA 0.772 45.816 45.100 -0.094 0.000 0.767 627 G HN 0.276 nan 8.290 nan 0.000 0.550 628 D N 0.250 120.639 120.400 -0.018 0.000 2.104 628 D HA -0.096 4.538 4.640 -0.011 0.000 0.194 628 D C 2.758 179.094 176.300 0.060 0.000 0.994 628 D CA 0.816 54.859 54.000 0.072 0.000 0.830 628 D CB -0.411 40.411 40.800 0.036 0.000 0.959 628 D HN 0.197 nan 8.370 nan 0.000 0.452 629 V N 0.741 120.601 119.914 -0.090 0.000 2.221 629 V HA -0.204 3.909 4.120 -0.011 0.000 0.242 629 V C 2.706 178.656 176.094 -0.241 0.000 1.041 629 V CA 1.185 63.339 62.300 -0.243 0.000 0.995 629 V CB -0.585 30.919 31.823 -0.533 0.000 0.635 629 V HN 0.027 nan 8.190 nan 0.000 0.448 630 V N 0.772 120.486 119.914 -0.333 0.000 2.469 630 V HA -0.238 3.876 4.120 -0.011 0.000 0.251 630 V C 2.026 178.011 176.094 -0.182 0.000 1.064 630 V CA 2.207 64.320 62.300 -0.311 0.000 1.066 630 V CB -1.000 30.655 31.823 -0.280 0.000 0.667 630 V HN 0.579 nan 8.190 nan 0.000 0.461 631 N N -0.680 117.848 118.700 -0.286 0.000 2.463 631 N HA -0.026 4.708 4.740 -0.011 0.000 0.181 631 N C 0.951 176.130 175.510 -0.551 0.000 1.078 631 N CA 0.600 53.413 53.050 -0.394 0.000 0.902 631 N CB -0.166 38.046 38.487 -0.458 0.000 0.970 631 N HN 0.691 nan 8.380 nan 0.000 0.451 632 H N -1.452 117.609 119.070 -0.016 0.000 2.475 632 H HA 0.253 4.802 4.556 -0.010 0.000 0.276 632 H C -0.752 174.587 175.328 0.018 0.000 1.126 632 H CA -0.481 55.567 56.048 0.000 0.000 1.023 632 H CB 0.462 30.217 29.762 -0.011 0.000 1.669 632 H HN -0.008 nan 8.280 nan 0.000 0.573 633 D N 2.143 122.586 120.400 0.073 0.000 2.280 633 D HA 0.046 4.680 4.640 -0.011 0.000 0.243 633 D C -1.420 174.932 176.300 0.088 0.000 1.129 633 D CA -1.954 52.119 54.000 0.122 0.000 0.848 633 D CB 2.094 43.033 40.800 0.232 0.000 1.107 633 D HN 0.159 nan 8.370 nan 0.000 0.471 634 P HA -0.100 nan 4.420 nan 0.000 0.219 634 P C 1.556 178.881 177.300 0.040 0.000 1.150 634 P CA 0.369 63.498 63.100 0.050 0.000 0.814 634 P CB 0.609 32.336 31.700 0.044 0.000 0.787 635 V N 0.230 120.170 119.914 0.043 0.000 2.515 635 V HA -0.155 3.959 4.120 -0.011 0.000 0.250 635 V C 2.840 178.947 176.094 0.022 0.000 1.058 635 V CA 1.362 63.675 62.300 0.022 0.000 1.064 635 V CB -0.935 30.894 31.823 0.009 0.000 0.675 635 V HN -0.060 nan 8.190 nan 0.000 0.461 636 V N -0.172 119.773 119.914 0.052 0.000 2.307 636 V HA 0.050 4.163 4.120 -0.011 0.000 0.245 636 V C 1.713 177.821 176.094 0.023 0.000 1.045 636 V CA 1.610 63.940 62.300 0.050 0.000 1.024 636 V CB -1.307 30.585 31.823 0.115 0.000 0.651 636 V HN 0.758 nan 8.190 nan 0.000 0.449 637 G N 1.368 110.182 108.800 0.024 0.000 2.552 637 G HA2 -0.358 3.595 3.960 -0.011 0.000 0.265 637 G HA3 -0.358 3.595 3.960 -0.011 0.000 0.265 637 G C 0.341 175.244 174.900 0.004 0.000 1.234 637 G CA 0.404 45.511 45.100 0.013 0.000 0.944 637 G HN 0.614 nan 8.290 nan 0.000 0.568 638 D N 0.241 120.643 120.400 0.004 0.000 2.340 638 D HA 0.041 4.674 4.640 -0.011 0.000 0.220 638 D C 2.030 178.326 176.300 -0.006 0.000 1.039 638 D CA 0.554 54.556 54.000 0.003 0.000 0.866 638 D CB -0.214 40.595 40.800 0.016 0.000 0.913 638 D HN 0.552 nan 8.370 nan 0.000 0.523 639 R N -0.581 119.907 120.500 -0.020 0.000 2.115 639 R HA 0.055 4.388 4.340 -0.011 0.000 0.230 639 R C 0.160 176.423 176.300 -0.061 0.000 1.111 639 R CA 0.476 56.543 56.100 -0.055 0.000 0.976 639 R CB -0.037 30.215 30.300 -0.079 0.000 0.870 639 R HN 0.204 nan 8.270 nan 0.000 0.445 640 L N 0.844 122.045 121.223 -0.036 0.000 2.476 640 L HA 0.354 4.687 4.340 -0.011 0.000 0.269 640 L C -1.480 175.365 176.870 -0.042 0.000 0.965 640 L CA -0.441 54.374 54.840 -0.041 0.000 0.845 640 L CB 1.701 43.748 42.059 -0.020 0.000 1.259 640 L HN -0.165 nan 8.230 nan 0.000 0.403 641 R N 4.314 124.778 120.500 -0.059 0.000 2.628 641 R HA 0.740 5.073 4.340 -0.011 0.000 0.288 641 R C -1.463 174.784 176.300 -0.089 0.000 0.980 641 R CA -0.822 55.233 56.100 -0.075 0.000 0.891 641 R CB 2.181 32.444 30.300 -0.061 0.000 1.188 641 R HN 0.401 nan 8.270 nan 0.000 0.450 642 V N 4.319 124.175 119.914 -0.096 0.000 2.435 642 V HA 0.498 4.612 4.120 -0.011 0.000 0.290 642 V C -0.031 176.016 176.094 -0.077 0.000 1.030 642 V CA -0.751 61.495 62.300 -0.091 0.000 0.881 642 V CB 1.870 33.637 31.823 -0.093 0.000 0.983 642 V HN 0.499 nan 8.190 nan 0.000 0.445 643 I N 4.581 125.105 120.570 -0.076 0.000 2.499 643 I HA 0.413 4.577 4.170 -0.011 0.000 0.288 643 I C -0.700 175.380 176.117 -0.061 0.000 1.048 643 I CA -0.650 60.612 61.300 -0.065 0.000 1.062 643 I CB 1.760 39.701 38.000 -0.099 0.000 1.238 643 I HN 0.563 nan 8.210 nan 0.000 0.426 644 F N 7.026 126.912 119.950 -0.106 0.000 2.408 644 F HA 0.502 5.023 4.527 -0.010 0.000 0.344 644 F C -0.554 175.181 175.800 -0.107 0.000 1.112 644 F CA -0.581 57.357 58.000 -0.104 0.000 1.096 644 F CB 1.134 40.072 39.000 -0.103 0.000 1.129 644 F HN 0.232 nan 8.300 nan 0.000 0.486 645 L N 6.029 126.744 121.223 -0.846 0.000 2.297 645 L HA 0.276 4.610 4.340 -0.011 0.000 0.277 645 L C -0.133 176.539 176.870 -0.330 0.000 1.040 645 L CA -0.255 54.324 54.840 -0.435 0.000 0.867 645 L CB 0.662 42.521 42.059 -0.334 0.000 1.244 645 L HN 0.609 nan 8.230 nan 0.000 0.433 646 E N 2.832 122.967 120.200 -0.109 0.000 2.414 646 E HA -0.068 4.276 4.350 -0.011 0.000 0.263 646 E C 0.381 177.064 176.600 0.139 0.000 1.000 646 E CA -0.057 56.389 56.400 0.078 0.000 0.914 646 E CB 0.298 29.941 29.700 -0.094 0.000 0.948 646 E HN 0.534 nan 8.360 nan 0.000 0.444 647 N N 2.922 121.755 118.700 0.222 0.000 2.667 647 N HA -0.291 4.443 4.740 -0.011 0.000 0.263 647 N C -1.670 173.965 175.510 0.208 0.000 1.038 647 N CA 0.604 53.783 53.050 0.215 0.000 0.749 647 N CB -1.252 37.372 38.487 0.227 0.000 0.892 647 N HN 0.461 nan 8.380 nan 0.000 0.546 648 Y N 1.975 122.311 120.300 0.060 0.000 2.425 648 Y HA 0.411 4.954 4.550 -0.011 0.000 0.331 648 Y C 1.008 176.935 175.900 0.045 0.000 1.157 648 Y CA 0.166 58.283 58.100 0.028 0.000 1.372 648 Y CB 0.441 38.891 38.460 -0.017 0.000 1.253 648 Y HN 0.472 nan 8.280 nan 0.000 0.536 649 R N 2.658 122.785 120.500 -0.621 0.000 2.944 649 R HA 0.178 4.512 4.340 -0.011 0.000 0.270 649 R C -0.460 175.499 176.300 -0.568 0.000 0.989 649 R CA -0.116 55.681 56.100 -0.505 0.000 0.853 649 R CB -0.424 29.816 30.300 -0.101 0.000 1.430 649 R HN 0.457 nan 8.270 nan 0.000 0.450 650 V N 1.635 121.275 119.914 -0.457 0.000 2.252 650 V HA -0.275 3.839 4.120 -0.011 0.000 0.249 650 V C 2.554 178.515 176.094 -0.222 0.000 1.056 650 V CA 3.361 65.453 62.300 -0.347 0.000 1.022 650 V CB -0.964 30.622 31.823 -0.396 0.000 0.641 650 V HN 0.869 nan 8.190 nan 0.000 0.445 651 S N -0.086 115.511 115.700 -0.172 0.000 2.419 651 S HA -0.181 4.282 4.470 -0.011 0.000 0.233 651 S C 1.883 176.429 174.600 -0.090 0.000 1.016 651 S CA 1.678 59.805 58.200 -0.122 0.000 0.974 651 S CB -0.489 62.669 63.200 -0.069 0.000 0.786 651 S HN 0.389 nan 8.310 nan 0.000 0.492 652 L N 1.785 122.959 121.223 -0.082 0.000 2.131 652 L HA 0.398 4.732 4.340 -0.011 0.000 0.206 652 L C 2.632 179.492 176.870 -0.017 0.000 1.087 652 L CA 1.246 56.074 54.840 -0.020 0.000 0.767 652 L CB -1.335 40.775 42.059 0.086 0.000 0.917 652 L HN 0.318 nan 8.230 nan 0.000 0.441 653 A N -0.557 122.226 122.820 -0.061 0.000 1.908 653 A HA -0.238 4.076 4.320 -0.011 0.000 0.218 653 A C 2.132 179.756 177.584 0.067 0.000 1.181 653 A CA 1.863 53.928 52.037 0.046 0.000 0.627 653 A CB -0.617 18.416 19.000 0.055 0.000 0.818 653 A HN 0.579 nan 8.150 nan 0.000 0.445 654 E N -0.045 120.192 120.200 0.062 0.000 2.204 654 E HA -0.217 4.127 4.350 -0.011 0.000 0.195 654 E C 1.995 178.569 176.600 -0.043 0.000 0.990 654 E CA 1.474 57.881 56.400 0.013 0.000 0.821 654 E CB -0.108 29.507 29.700 -0.141 0.000 0.750 654 E HN 0.855 nan 8.360 nan 0.000 0.477 655 K N 0.153 120.503 120.400 -0.082 0.000 2.202 655 K HA 0.070 4.383 4.320 -0.011 0.000 0.201 655 K C 2.150 178.578 176.600 -0.286 0.000 1.051 655 K CA 0.487 56.719 56.287 -0.092 0.000 0.977 655 K CB -0.162 32.298 32.500 -0.066 0.000 0.792 655 K HN -0.043 nan 8.250 nan 0.000 0.469 656 V N 2.122 121.741 119.914 -0.492 0.000 2.346 656 V HA -0.106 4.008 4.120 -0.011 0.000 0.244 656 V C 2.176 178.008 176.094 -0.437 0.000 1.037 656 V CA 0.999 62.784 62.300 -0.857 0.000 1.029 656 V CB -0.209 31.190 31.823 -0.708 0.000 0.663 656 V HN 0.280 nan 8.190 nan 0.000 0.454 657 I N 0.622 120.977 120.570 -0.358 0.000 2.194 657 I HA -0.191 3.973 4.170 -0.011 0.000 0.246 657 I C -0.393 175.629 176.117 -0.160 0.000 1.093 657 I CA 1.849 62.879 61.300 -0.450 0.000 1.355 657 I CB -1.285 36.341 38.000 -0.623 0.000 1.046 657 I HN 0.392 nan 8.210 nan 0.000 0.413 658 P HA -0.074 nan 4.420 nan 0.000 0.226 658 P C 0.748 178.062 177.300 0.024 0.000 1.153 658 P CA 1.078 64.174 63.100 -0.008 0.000 0.777 658 P CB 0.089 31.791 31.700 0.004 0.000 0.794 659 A N -1.298 121.524 122.820 0.003 0.000 2.387 659 A HA 0.547 4.860 4.320 -0.011 0.000 0.234 659 A C 1.013 178.723 177.584 0.210 0.000 1.253 659 A CA -0.065 52.030 52.037 0.097 0.000 0.894 659 A CB -0.459 18.622 19.000 0.134 0.000 0.963 659 A HN 0.167 nan 8.150 nan 0.000 0.508 660 A N -0.135 122.802 122.820 0.195 0.000 2.331 660 A HA 0.515 4.828 4.320 -0.011 0.000 0.283 660 A C 0.313 178.041 177.584 0.240 0.000 1.142 660 A CA -0.307 51.896 52.037 0.277 0.000 0.812 660 A CB 0.430 19.685 19.000 0.425 0.000 1.074 660 A HN 0.271 nan 8.150 nan 0.000 0.497 661 D N 0.702 121.245 120.400 0.238 0.000 2.369 661 D HA 0.098 4.731 4.640 -0.011 0.000 0.231 661 D C 0.140 176.669 176.300 0.382 0.000 0.967 661 D CA 0.781 55.000 54.000 0.364 0.000 0.905 661 D CB 0.258 41.187 40.800 0.216 0.000 1.044 661 D HN 0.367 nan 8.370 nan 0.000 0.487 662 L N 1.011 122.335 121.223 0.168 0.000 2.362 662 L HA 0.289 4.623 4.340 -0.011 0.000 0.275 662 L C -0.775 175.954 176.870 -0.235 0.000 0.998 662 L CA -0.284 54.559 54.840 0.006 0.000 0.820 662 L CB 2.175 44.239 42.059 0.007 0.000 1.270 662 L HN -0.184 nan 8.230 nan 0.000 0.415 663 S N 4.063 119.493 115.700 -0.450 0.000 2.410 663 S HA 0.260 4.723 4.470 -0.011 0.000 0.304 663 S C -0.264 174.045 174.600 -0.485 0.000 1.095 663 S CA -0.660 57.031 58.200 -0.848 0.000 1.089 663 S CB 0.325 62.886 63.200 -1.064 0.000 0.968 663 S HN 0.524 nan 8.310 nan 0.000 0.480 664 E N 3.817 123.804 120.200 -0.354 0.000 2.180 664 E HA 0.156 4.500 4.350 -0.011 0.000 0.283 664 E C -0.370 176.148 176.600 -0.137 0.000 1.061 664 E CA -0.188 56.109 56.400 -0.172 0.000 0.861 664 E CB 0.843 30.472 29.700 -0.117 0.000 1.056 664 E HN 0.583 nan 8.360 nan 0.000 0.407 665 Q N 2.995 122.759 119.800 -0.060 0.000 2.928 665 Q HA 0.251 4.584 4.340 -0.011 0.000 0.353 665 Q C 0.129 176.129 176.000 -0.001 0.000 0.870 665 Q CA -0.278 55.502 55.803 -0.040 0.000 0.963 665 Q CB 0.326 29.050 28.738 -0.025 0.000 1.419 665 Q HN 0.456 nan 8.270 nan 0.000 0.396 666 I N 0.896 121.454 120.570 -0.020 0.000 3.826 666 I HA -0.022 4.141 4.170 -0.011 0.000 0.319 666 I C 0.433 176.510 176.117 -0.068 0.000 1.394 666 I CA 0.260 61.557 61.300 -0.004 0.000 1.197 666 I CB 0.222 38.177 38.000 -0.074 0.000 1.096 666 I HN 0.074 nan 8.210 nan 0.000 0.409 667 S N -1.227 114.428 115.700 -0.074 0.000 2.585 667 S HA 0.242 4.706 4.470 -0.011 0.000 0.273 667 S C 0.532 175.106 174.600 -0.044 0.000 1.339 667 S CA -0.711 57.455 58.200 -0.056 0.000 1.028 667 S CB 0.294 63.507 63.200 0.021 0.000 0.906 667 S HN 0.263 nan 8.310 nan 0.000 0.528 668 T N 2.661 117.216 114.554 0.002 0.000 2.871 668 T HA 0.363 4.706 4.350 -0.011 0.000 0.296 668 T C 0.737 175.428 174.700 -0.016 0.000 0.998 668 T CA 0.182 62.287 62.100 0.008 0.000 1.162 668 T CB -0.129 68.811 68.868 0.119 0.000 0.947 668 T HN 0.966 nan 8.240 nan 0.000 0.536 669 A N 2.842 125.623 122.820 -0.065 0.000 2.567 669 A HA 0.466 4.780 4.320 -0.011 0.000 0.240 669 A C 1.647 179.207 177.584 -0.040 0.000 1.053 669 A CA 0.297 52.294 52.037 -0.066 0.000 0.755 669 A CB -0.763 18.185 19.000 -0.087 0.000 0.978 669 A HN 1.660 nan 8.150 nan 0.000 0.507 670 G N 1.127 109.902 108.800 -0.041 0.000 2.213 670 G HA2 -0.250 3.703 3.960 -0.011 0.000 0.226 670 G HA3 -0.250 3.703 3.960 -0.011 0.000 0.226 670 G C 0.979 175.848 174.900 -0.053 0.000 0.992 670 G CA 1.046 46.123 45.100 -0.040 0.000 0.632 670 G HN 1.958 nan 8.290 nan 0.000 0.511 671 T N -2.133 112.381 114.554 -0.065 0.000 3.040 671 T HA 0.415 4.759 4.350 -0.011 0.000 0.252 671 T C 0.742 175.229 174.700 -0.355 0.000 1.064 671 T CA 1.221 63.198 62.100 -0.205 0.000 1.110 671 T CB 0.591 69.370 68.868 -0.150 0.000 0.921 671 T HN 0.309 nan 8.240 nan 0.000 0.480 672 E N 1.149 121.278 120.200 -0.119 0.000 2.081 672 E HA 0.689 5.032 4.350 -0.011 0.000 0.281 672 E C 0.985 177.524 176.600 -0.101 0.000 0.986 672 E CA -0.107 56.273 56.400 -0.033 0.000 0.796 672 E CB 0.990 30.749 29.700 0.099 0.000 1.085 672 E HN 0.273 nan 8.360 nan 0.000 0.398 673 A N 3.287 125.988 122.820 -0.199 0.000 1.933 673 A HA -0.127 4.186 4.320 -0.011 0.000 0.218 673 A C 1.855 179.309 177.584 -0.216 0.000 1.175 673 A CA 1.963 53.791 52.037 -0.349 0.000 0.628 673 A CB -0.078 18.416 19.000 -0.843 0.000 0.814 673 A HN 0.580 nan 8.150 nan 0.000 0.444 674 S N -3.822 111.798 115.700 -0.135 0.000 4.471 674 S HA 0.453 4.917 4.470 -0.011 0.000 0.191 674 S C 0.615 175.186 174.600 -0.047 0.000 1.128 674 S CA 1.410 59.569 58.200 -0.068 0.000 1.153 674 S CB -0.110 63.062 63.200 -0.047 0.000 1.583 674 S HN 2.179 nan 8.310 nan 0.000 0.590 675 G N 0.531 109.313 108.800 -0.030 0.000 2.767 675 G HA2 -0.054 3.899 3.960 -0.011 0.000 0.686 675 G HA3 -0.054 3.899 3.960 -0.011 0.000 0.686 675 G C 0.188 175.057 174.900 -0.051 0.000 1.213 675 G CA 0.471 45.554 45.100 -0.028 0.000 0.803 675 G HN 1.325 nan 8.290 nan 0.000 0.603 676 T N -1.398 113.114 114.554 -0.070 0.000 3.028 676 T HA 0.386 4.730 4.350 -0.011 0.000 0.262 676 T C 2.284 176.870 174.700 -0.190 0.000 0.916 676 T CA 1.147 63.177 62.100 -0.118 0.000 0.873 676 T CB 0.464 69.269 68.868 -0.105 0.000 1.232 676 T HN 1.835 nan 8.240 nan 0.000 0.529 677 G N 3.155 111.867 108.800 -0.147 0.000 2.432 677 G HA2 -0.242 3.711 3.960 -0.011 0.000 0.219 677 G HA3 -0.242 3.711 3.960 -0.011 0.000 0.219 677 G C 1.441 176.362 174.900 0.036 0.000 1.135 677 G CA 1.103 46.122 45.100 -0.135 0.000 0.767 677 G HN 0.818 nan 8.290 nan 0.000 0.550 678 N N 0.067 118.775 118.700 0.014 0.000 2.166 678 N HA -0.126 4.607 4.740 -0.011 0.000 0.186 678 N C 2.204 177.697 175.510 -0.029 0.000 1.019 678 N CA 1.241 54.304 53.050 0.021 0.000 0.856 678 N CB -0.350 38.111 38.487 -0.043 0.000 0.993 678 N HN 0.352 nan 8.380 nan 0.000 0.426 679 M N 0.896 120.416 119.600 -0.134 0.000 2.132 679 M HA -0.021 4.453 4.480 -0.011 0.000 0.263 679 M C 2.031 178.280 176.300 -0.085 0.000 1.065 679 M CA 1.412 56.621 55.300 -0.152 0.000 1.122 679 M CB -0.139 32.368 32.600 -0.155 0.000 1.365 679 M HN 0.091 nan 8.290 nan 0.000 0.411 680 K N 0.064 120.344 120.400 -0.200 0.000 2.103 680 K HA -0.125 4.188 4.320 -0.011 0.000 0.207 680 K C 1.756 178.269 176.600 -0.144 0.000 1.048 680 K CA 1.402 57.504 56.287 -0.308 0.000 0.930 680 K CB -0.299 31.756 32.500 -0.742 0.000 0.716 680 K HN 0.191 nan 8.250 nan 0.000 0.444 681 F N 1.000 120.858 119.950 -0.154 0.000 2.206 681 F HA -0.034 4.487 4.527 -0.011 0.000 0.298 681 F C 2.526 178.285 175.800 -0.070 0.000 1.090 681 F CA 0.953 58.893 58.000 -0.101 0.000 1.323 681 F CB -0.268 38.666 39.000 -0.109 0.000 1.028 681 F HN -0.042 nan 8.300 nan 0.000 0.492 682 M N -0.393 119.282 119.600 0.124 0.000 2.159 682 M HA -0.220 4.254 4.480 -0.011 0.000 0.263 682 M C 2.090 178.437 176.300 0.077 0.000 1.063 682 M CA 1.563 56.906 55.300 0.071 0.000 1.110 682 M CB -0.308 32.330 32.600 0.063 0.000 1.374 682 M HN 0.229 nan 8.290 nan 0.000 0.411 683 L N -0.088 121.183 121.223 0.079 0.000 2.275 683 L HA -0.171 4.163 4.340 -0.011 0.000 0.215 683 L C 1.026 177.937 176.870 0.067 0.000 1.119 683 L CA 0.870 55.758 54.840 0.080 0.000 0.790 683 L CB -0.248 41.865 42.059 0.090 0.000 0.919 683 L HN 0.381 nan 8.230 nan 0.000 0.443 684 N N -0.389 118.352 118.700 0.068 0.000 2.275 684 N HA 0.117 4.851 4.740 -0.011 0.000 0.236 684 N C 0.658 176.209 175.510 0.069 0.000 1.154 684 N CA 0.780 53.867 53.050 0.063 0.000 0.866 684 N CB 1.112 39.628 38.487 0.049 0.000 1.093 684 N HN 0.274 nan 8.380 nan 0.000 0.515 685 G N 0.893 109.726 108.800 0.055 0.000 2.212 685 G HA2 -0.197 3.756 3.960 -0.011 0.000 0.255 685 G HA3 -0.197 3.756 3.960 -0.011 0.000 0.255 685 G C -0.079 174.870 174.900 0.083 0.000 1.062 685 G CA 0.250 45.377 45.100 0.045 0.000 0.815 685 G HN 0.514 nan 8.290 nan 0.000 0.497 686 A N -0.589 122.276 122.820 0.075 0.000 2.340 686 A HA 0.897 5.211 4.320 -0.011 0.000 0.331 686 A C -0.276 177.241 177.584 -0.111 0.000 1.140 686 A CA -0.728 51.341 52.037 0.054 0.000 0.801 686 A CB 1.454 20.512 19.000 0.096 0.000 1.234 686 A HN 0.760 nan 8.150 nan 0.000 0.469 687 L N 0.980 122.063 121.223 -0.233 0.000 2.343 687 L HA 0.533 4.867 4.340 -0.011 0.000 0.275 687 L C 0.490 177.156 176.870 -0.341 0.000 1.056 687 L CA 0.405 55.022 54.840 -0.371 0.000 0.804 687 L CB 1.623 43.334 42.059 -0.581 0.000 1.203 687 L HN 0.733 nan 8.230 nan 0.000 0.440 688 T N 4.115 118.362 114.554 -0.512 0.000 2.749 688 T HA 0.477 4.821 4.350 -0.011 0.000 0.287 688 T C -0.016 174.504 174.700 -0.300 0.000 0.970 688 T CA -0.166 61.630 62.100 -0.506 0.000 0.980 688 T CB 0.687 69.114 68.868 -0.736 0.000 0.924 688 T HN 0.421 nan 8.240 nan 0.000 0.456 689 I N 3.110 123.604 120.570 -0.125 0.000 2.315 689 I HA 0.666 4.830 4.170 -0.011 0.000 0.291 689 I C 0.193 176.429 176.117 0.199 0.000 1.006 689 I CA 0.155 61.494 61.300 0.065 0.000 1.265 689 I CB 0.227 38.192 38.000 -0.058 0.000 1.387 689 I HN 0.768 nan 8.210 nan 0.000 0.475 690 G N 4.182 113.199 108.800 0.362 0.000 2.703 690 G HA2 0.426 4.380 3.960 -0.011 0.000 0.294 690 G HA3 0.426 4.380 3.960 -0.011 0.000 0.294 690 G C -0.727 174.166 174.900 -0.011 0.000 1.451 690 G CA -0.388 44.867 45.100 0.258 0.000 0.869 690 G HN 0.639 nan 8.290 nan 0.000 0.516 691 T N -1.546 112.833 114.554 -0.293 0.000 2.726 691 T HA 0.467 4.811 4.350 -0.011 0.000 0.294 691 T C 0.585 175.170 174.700 -0.191 0.000 1.013 691 T CA -0.265 61.560 62.100 -0.460 0.000 0.996 691 T CB 1.049 69.655 68.868 -0.436 0.000 1.016 691 T HN 0.342 nan 8.240 nan 0.000 0.529 692 M N 2.499 121.994 119.600 -0.176 0.000 3.117 692 M HA 0.416 4.890 4.480 -0.011 0.000 0.292 692 M C -1.029 175.210 176.300 -0.102 0.000 1.357 692 M CA -0.706 54.523 55.300 -0.119 0.000 1.463 692 M CB -1.289 31.245 32.600 -0.111 0.000 1.105 692 M HN 0.701 nan 8.290 nan 0.000 0.553 693 D N 1.056 121.404 120.400 -0.087 0.000 2.601 693 D HA 0.746 5.380 4.640 -0.011 0.000 0.230 693 D C 0.667 176.935 176.300 -0.054 0.000 1.106 693 D CA 0.835 54.795 54.000 -0.066 0.000 0.873 693 D CB 1.616 42.381 40.800 -0.060 0.000 1.515 693 D HN 0.588 nan 8.370 nan 0.000 0.468 694 G N 1.777 110.553 108.800 -0.041 0.000 2.614 694 G HA2 -0.250 3.704 3.960 -0.011 0.000 0.303 694 G HA3 -0.250 3.704 3.960 -0.011 0.000 0.303 694 G C 0.924 175.800 174.900 -0.040 0.000 1.270 694 G CA 1.033 46.112 45.100 -0.036 0.000 0.988 694 G HN 1.056 nan 8.290 nan 0.000 0.551 695 A N 0.051 122.839 122.820 -0.053 0.000 2.238 695 A HA 0.199 4.513 4.320 -0.011 0.000 0.208 695 A C 2.027 179.528 177.584 -0.137 0.000 1.177 695 A CA 1.473 53.470 52.037 -0.066 0.000 0.804 695 A CB -0.370 18.579 19.000 -0.085 0.000 0.823 695 A HN 0.563 nan 8.150 nan 0.000 0.482 696 N N 0.435 119.066 118.700 -0.115 0.000 2.223 696 N HA -0.135 4.599 4.740 -0.011 0.000 0.185 696 N C 1.644 176.996 175.510 -0.262 0.000 1.016 696 N CA 1.520 54.495 53.050 -0.125 0.000 0.863 696 N CB -0.379 38.096 38.487 -0.020 0.000 0.983 696 N HN 0.307 nan 8.380 nan 0.000 0.429 697 V N 1.577 121.388 119.914 -0.172 0.000 2.295 697 V HA -0.189 3.925 4.120 -0.011 0.000 0.246 697 V C 1.972 177.979 176.094 -0.146 0.000 1.049 697 V CA 1.629 63.831 62.300 -0.163 0.000 1.024 697 V CB -0.438 31.328 31.823 -0.095 0.000 0.648 697 V HN 0.319 nan 8.190 nan 0.000 0.447 698 E N -0.669 119.500 120.200 -0.052 0.000 2.285 698 E HA -0.090 4.253 4.350 -0.011 0.000 0.194 698 E C 2.175 178.883 176.600 0.180 0.000 0.997 698 E CA 0.867 57.313 56.400 0.076 0.000 0.845 698 E CB -0.113 29.713 29.700 0.211 0.000 0.782 698 E HN 0.560 nan 8.360 nan 0.000 0.491 699 M N 0.351 119.948 119.600 -0.006 0.000 2.123 699 M HA -0.059 4.415 4.480 -0.011 0.000 0.263 699 M C 2.522 178.617 176.300 -0.341 0.000 1.069 699 M CA 1.356 56.613 55.300 -0.071 0.000 1.133 699 M CB -0.142 32.279 32.600 -0.299 0.000 1.356 699 M HN 0.115 nan 8.290 nan 0.000 0.415 700 A N -0.008 122.287 122.820 -0.876 0.000 1.972 700 A HA -0.206 4.108 4.320 -0.011 0.000 0.219 700 A C 2.000 179.391 177.584 -0.323 0.000 1.169 700 A CA 1.888 53.394 52.037 -0.885 0.000 0.635 700 A CB -0.773 17.677 19.000 -0.917 0.000 0.810 700 A HN 0.579 nan 8.150 nan 0.000 0.446 701 E N -0.499 119.575 120.200 -0.209 0.000 2.047 701 E HA -0.247 4.097 4.350 -0.011 0.000 0.191 701 E C 1.967 178.531 176.600 -0.059 0.000 0.987 701 E CA 1.391 57.727 56.400 -0.106 0.000 0.799 701 E CB -0.118 29.535 29.700 -0.078 0.000 0.752 701 E HN 0.522 nan 8.360 nan 0.000 0.449 702 E N 0.259 120.449 120.200 -0.016 0.000 2.058 702 E HA -0.143 4.200 4.350 -0.011 0.000 0.194 702 E C 1.640 178.255 176.600 0.025 0.000 0.997 702 E CA 1.646 58.057 56.400 0.018 0.000 0.801 702 E CB -0.249 29.513 29.700 0.104 0.000 0.746 702 E HN 0.347 nan 8.360 nan 0.000 0.450 703 A N -0.751 122.093 122.820 0.040 0.000 2.123 703 A HA 0.418 4.732 4.320 -0.011 0.000 0.214 703 A C 0.985 178.581 177.584 0.020 0.000 1.152 703 A CA 0.923 52.995 52.037 0.058 0.000 0.728 703 A CB -0.346 18.741 19.000 0.145 0.000 0.814 703 A HN 0.368 nan 8.150 nan 0.000 0.464 704 G N -0.732 108.056 108.800 -0.020 0.000 2.785 704 G HA2 -0.123 3.830 3.960 -0.011 0.000 0.686 704 G HA3 -0.123 3.830 3.960 -0.011 0.000 0.686 704 G C 0.025 174.906 174.900 -0.032 0.000 1.155 704 G CA 0.006 45.086 45.100 -0.034 0.000 0.760 704 G HN 0.241 nan 8.290 nan 0.000 0.624 705 E N 0.734 120.903 120.200 -0.051 0.000 2.267 705 E HA -0.163 4.181 4.350 -0.011 0.000 0.197 705 E C 2.114 178.698 176.600 -0.027 0.000 0.998 705 E CA 1.751 58.131 56.400 -0.033 0.000 0.830 705 E CB 0.080 29.756 29.700 -0.040 0.000 0.751 705 E HN 0.750 nan 8.360 nan 0.000 0.491 706 E N 0.608 120.778 120.200 -0.049 0.000 2.150 706 E HA -0.093 4.250 4.350 -0.011 0.000 0.193 706 E C 1.112 177.617 176.600 -0.158 0.000 0.985 706 E CA 0.685 57.031 56.400 -0.090 0.000 0.814 706 E CB -0.008 29.651 29.700 -0.069 0.000 0.752 706 E HN 0.155 nan 8.360 nan 0.000 0.466 707 N N -0.303 118.338 118.700 -0.097 0.000 2.313 707 N HA 0.104 4.838 4.740 -0.011 0.000 0.207 707 N C -0.863 174.560 175.510 -0.146 0.000 1.141 707 N CA 0.181 53.150 53.050 -0.135 0.000 0.830 707 N CB 0.315 38.774 38.487 -0.046 0.000 1.008 707 N HN 0.053 nan 8.380 nan 0.000 0.481 708 F N -0.442 119.289 119.950 -0.364 0.000 2.588 708 F HA 0.401 4.921 4.527 -0.012 0.000 0.314 708 F C -0.937 174.634 175.800 -0.382 0.000 1.069 708 F CA -1.085 56.740 58.000 -0.292 0.000 0.931 708 F CB 1.405 40.316 39.000 -0.148 0.000 1.260 708 F HN -0.232 nan 8.300 nan 0.000 0.465 709 F N 5.394 125.261 119.950 -0.138 0.000 2.334 709 F HA 0.439 4.960 4.527 -0.010 0.000 0.343 709 F C -0.222 175.694 175.800 0.193 0.000 1.136 709 F CA -0.454 57.559 58.000 0.022 0.000 1.237 709 F CB 0.176 39.138 39.000 -0.063 0.000 1.525 709 F HN 0.072 nan 8.300 nan 0.000 0.528 710 I N 3.452 124.236 120.570 0.356 0.000 2.474 710 I HA 0.307 4.470 4.170 -0.011 0.000 0.287 710 I C -0.164 176.125 176.117 0.287 0.000 1.048 710 I CA -0.349 61.117 61.300 0.276 0.000 1.383 710 I CB 0.636 38.720 38.000 0.140 0.000 1.412 710 I HN 0.340 nan 8.210 nan 0.000 0.531 711 F N 3.363 123.376 119.950 0.105 0.000 2.745 711 F HA 0.911 5.432 4.527 -0.011 0.000 0.316 711 F C 0.005 175.842 175.800 0.062 0.000 1.155 711 F CA -0.583 57.468 58.000 0.085 0.000 0.937 711 F CB 0.790 39.853 39.000 0.105 0.000 1.361 711 F HN 0.770 nan 8.300 nan 0.000 0.472 712 G N 0.776 109.572 108.800 -0.007 0.000 2.796 712 G HA2 -0.091 3.863 3.960 -0.011 0.000 0.571 712 G HA3 -0.091 3.863 3.960 -0.011 0.000 0.571 712 G C -0.877 173.965 174.900 -0.097 0.000 1.370 712 G CA -0.598 44.438 45.100 -0.106 0.000 0.856 712 G HN 0.954 nan 8.290 nan 0.000 0.538 713 M N 0.398 119.955 119.600 -0.071 0.000 2.260 713 M HA 0.229 4.703 4.480 -0.011 0.000 0.348 713 M C 1.152 177.402 176.300 -0.084 0.000 1.342 713 M CA 0.273 55.544 55.300 -0.048 0.000 1.040 713 M CB 0.401 32.979 32.600 -0.036 0.000 1.810 713 M HN 0.564 nan 8.290 nan 0.000 0.453 714 R N 1.386 121.852 120.500 -0.057 0.000 2.541 714 R HA 0.257 4.590 4.340 -0.011 0.000 0.263 714 R C 1.125 177.394 176.300 -0.052 0.000 1.112 714 R CA -0.414 55.648 56.100 -0.063 0.000 1.170 714 R CB 0.294 30.567 30.300 -0.046 0.000 1.167 714 R HN 0.568 nan 8.270 nan 0.000 0.582 715 V N 1.029 120.912 119.914 -0.051 0.000 2.255 715 V HA -0.271 3.843 4.120 -0.011 0.000 0.247 715 V C 2.261 178.336 176.094 -0.033 0.000 1.051 715 V CA 2.133 64.406 62.300 -0.044 0.000 1.018 715 V CB -0.606 31.189 31.823 -0.046 0.000 0.641 715 V HN 0.762 nan 8.190 nan 0.000 0.445 716 E N 0.589 120.772 120.200 -0.028 0.000 2.113 716 E HA -0.347 3.996 4.350 -0.011 0.000 0.210 716 E C 1.952 178.548 176.600 -0.007 0.000 1.040 716 E CA 2.442 58.832 56.400 -0.017 0.000 0.847 716 E CB -0.402 29.289 29.700 -0.014 0.000 0.755 716 E HN 0.688 nan 8.360 nan 0.000 0.459 717 D N -0.283 120.114 120.400 -0.006 0.000 2.178 717 D HA -0.113 4.521 4.640 -0.011 0.000 0.202 717 D C 2.115 178.420 176.300 0.008 0.000 0.974 717 D CA 1.058 55.064 54.000 0.009 0.000 0.841 717 D CB 0.073 40.880 40.800 0.011 0.000 0.953 717 D HN 0.157 nan 8.370 nan 0.000 0.478 718 V N 1.619 121.525 119.914 -0.014 0.000 2.379 718 V HA -0.168 3.946 4.120 -0.011 0.000 0.245 718 V C 2.108 178.194 176.094 -0.012 0.000 1.044 718 V CA 1.437 63.722 62.300 -0.025 0.000 1.036 718 V CB -0.291 31.506 31.823 -0.043 0.000 0.664 718 V HN 0.072 nan 8.190 nan 0.000 0.453 719 D N -0.154 120.239 120.400 -0.011 0.000 2.117 719 D HA -0.189 4.445 4.640 -0.011 0.000 0.197 719 D C 2.334 178.641 176.300 0.012 0.000 0.987 719 D CA 1.298 55.295 54.000 -0.005 0.000 0.829 719 D CB -0.072 40.721 40.800 -0.011 0.000 0.961 719 D HN 0.281 nan 8.370 nan 0.000 0.460 720 R N 0.252 120.763 120.500 0.018 0.000 2.103 720 R HA -0.173 4.161 4.340 -0.011 0.000 0.242 720 R C 2.261 178.592 176.300 0.051 0.000 1.142 720 R CA 0.905 57.024 56.100 0.031 0.000 0.960 720 R CB -0.257 30.063 30.300 0.033 0.000 0.858 720 R HN 0.085 nan 8.270 nan 0.000 0.439 721 L N 0.571 121.833 121.223 0.064 0.000 2.217 721 L HA -0.079 4.255 4.340 -0.011 0.000 0.211 721 L C 1.221 178.152 176.870 0.101 0.000 1.107 721 L CA 1.807 56.712 54.840 0.108 0.000 0.783 721 L CB -0.227 41.909 42.059 0.129 0.000 0.919 721 L HN 0.140 nan 8.230 nan 0.000 0.442 722 D N -1.221 119.213 120.400 0.058 0.000 2.194 722 D HA -0.110 4.523 4.640 -0.011 0.000 0.204 722 D C 1.984 178.311 176.300 0.045 0.000 0.964 722 D CA 0.604 54.634 54.000 0.049 0.000 0.846 722 D CB 0.279 41.087 40.800 0.013 0.000 0.962 722 D HN 0.382 nan 8.370 nan 0.000 0.490 723 Q N 0.712 120.534 119.800 0.037 0.000 2.046 723 Q HA -0.093 4.241 4.340 -0.011 0.000 0.200 723 Q C 2.186 178.209 176.000 0.039 0.000 0.975 723 Q CA 0.767 56.588 55.803 0.030 0.000 0.836 723 Q CB -0.579 28.173 28.738 0.024 0.000 0.896 723 Q HN 0.278 nan 8.270 nan 0.000 0.428 724 R N 0.502 121.032 120.500 0.050 0.000 2.091 724 R HA -0.073 4.261 4.340 -0.011 0.000 0.238 724 R C -0.035 176.301 176.300 0.060 0.000 1.136 724 R CA 1.339 57.472 56.100 0.055 0.000 0.959 724 R CB -0.138 30.204 30.300 0.070 0.000 0.856 724 R HN 0.390 nan 8.270 nan 0.000 0.437 725 G N -0.258 108.592 108.800 0.084 0.000 3.444 725 G HA2 -0.233 3.721 3.960 -0.011 0.000 0.685 725 G HA3 -0.233 3.721 3.960 -0.011 0.000 0.685 725 G C -1.312 173.671 174.900 0.138 0.000 1.145 725 G CA -0.298 44.856 45.100 0.089 0.000 0.973 725 G HN 0.319 nan 8.290 nan 0.000 0.525 726 Y N 3.857 124.186 120.300 0.048 0.000 2.436 726 Y HA 0.557 5.101 4.550 -0.010 0.000 0.336 726 Y C 0.301 176.254 175.900 0.088 0.000 1.049 726 Y CA -1.018 57.130 58.100 0.081 0.000 1.294 726 Y CB 0.961 39.447 38.460 0.044 0.000 1.179 726 Y HN 0.561 nan 8.280 nan 0.000 0.520 727 N N 5.142 123.571 118.700 -0.452 0.000 2.569 727 N HA 0.282 5.015 4.740 -0.011 0.000 0.254 727 N C 0.016 175.242 175.510 -0.474 0.000 1.004 727 N CA 0.258 53.069 53.050 -0.398 0.000 0.904 727 N CB 1.577 39.969 38.487 -0.158 0.000 1.165 727 N HN 0.874 nan 8.380 nan 0.000 0.513 728 A N 2.930 125.409 122.820 -0.569 0.000 2.121 728 A HA -0.168 4.145 4.320 -0.011 0.000 0.218 728 A C 1.885 179.621 177.584 0.253 0.000 1.154 728 A CA 1.127 53.106 52.037 -0.097 0.000 0.679 728 A CB -0.132 18.765 19.000 -0.172 0.000 0.795 728 A HN 0.740 nan 8.150 nan 0.000 0.458 729 Q N 0.406 120.238 119.800 0.053 0.000 2.123 729 Q HA -0.158 4.176 4.340 -0.011 0.000 0.199 729 Q C 1.840 177.894 176.000 0.089 0.000 0.966 729 Q CA 1.960 57.806 55.803 0.072 0.000 0.845 729 Q CB -0.355 28.369 28.738 -0.022 0.000 0.907 729 Q HN 0.732 nan 8.270 nan 0.000 0.439 730 E N -1.137 119.044 120.200 -0.032 0.000 2.114 730 E HA -0.258 4.086 4.350 -0.011 0.000 0.199 730 E C 1.263 177.719 176.600 -0.240 0.000 1.008 730 E CA 1.570 57.864 56.400 -0.177 0.000 0.810 730 E CB -0.183 29.317 29.700 -0.333 0.000 0.739 730 E HN 0.579 nan 8.360 nan 0.000 0.456 731 Y N -1.558 118.807 120.300 0.108 0.000 2.395 731 Y HA -0.112 4.431 4.550 -0.011 0.000 0.293 731 Y C 1.929 177.802 175.900 -0.046 0.000 1.123 731 Y CA 1.103 59.244 58.100 0.069 0.000 1.227 731 Y CB -0.369 38.194 38.460 0.171 0.000 1.012 731 Y HN 0.224 nan 8.280 nan 0.000 0.552 732 Y N 0.956 121.247 120.300 -0.015 0.000 2.263 732 Y HA -0.168 4.376 4.550 -0.010 0.000 0.292 732 Y C 1.702 177.550 175.900 -0.085 0.000 1.130 732 Y CA 1.443 59.470 58.100 -0.121 0.000 1.179 732 Y CB -0.201 38.236 38.460 -0.038 0.000 0.998 732 Y HN 0.023 nan 8.280 nan 0.000 0.532 733 D N 0.011 120.499 120.400 0.147 0.000 2.077 733 D HA -0.117 4.517 4.640 -0.011 0.000 0.196 733 D C 2.175 178.453 176.300 -0.036 0.000 0.986 733 D CA 1.448 55.483 54.000 0.058 0.000 0.829 733 D CB -0.220 40.610 40.800 0.051 0.000 0.983 733 D HN 0.220 nan 8.370 nan 0.000 0.453 734 R N -0.477 119.996 120.500 -0.045 0.000 2.189 734 R HA 0.092 4.425 4.340 -0.011 0.000 0.218 734 R C 0.112 176.390 176.300 -0.038 0.000 1.074 734 R CA 0.453 56.528 56.100 -0.042 0.000 0.991 734 R CB 0.103 30.375 30.300 -0.047 0.000 0.883 734 R HN 0.141 nan 8.270 nan 0.000 0.457 735 I N 0.523 121.049 120.570 -0.073 0.000 2.405 735 I HA 0.235 4.399 4.170 -0.011 0.000 0.280 735 I C -1.934 174.082 176.117 -0.168 0.000 1.027 735 I CA -2.433 58.823 61.300 -0.073 0.000 1.161 735 I CB 1.962 39.938 38.000 -0.040 0.000 1.300 735 I HN -0.210 nan 8.210 nan 0.000 0.463 736 P HA -0.189 nan 4.420 nan 0.000 0.215 736 P C 1.239 178.448 177.300 -0.152 0.000 1.157 736 P CA 1.498 64.507 63.100 -0.152 0.000 0.874 736 P CB 0.274 31.919 31.700 -0.092 0.000 0.790 737 E N -0.742 119.409 120.200 -0.080 0.000 2.085 737 E HA -0.194 4.150 4.350 -0.011 0.000 0.194 737 E C 2.036 178.560 176.600 -0.128 0.000 0.994 737 E CA 0.878 57.252 56.400 -0.042 0.000 0.801 737 E CB -0.719 29.029 29.700 0.079 0.000 0.743 737 E HN 0.228 nan 8.360 nan 0.000 0.453 738 L N 0.811 121.859 121.223 -0.291 0.000 2.093 738 L HA -0.159 4.174 4.340 -0.011 0.000 0.208 738 L C 2.658 179.244 176.870 -0.475 0.000 1.085 738 L CA 1.009 55.512 54.840 -0.563 0.000 0.755 738 L CB -0.060 41.470 42.059 -0.881 0.000 0.904 738 L HN 0.011 nan 8.230 nan 0.000 0.435 739 R N -0.566 119.621 120.500 -0.522 0.000 2.094 739 R HA -0.269 4.065 4.340 -0.011 0.000 0.239 739 R C 2.390 178.483 176.300 -0.345 0.000 1.137 739 R CA 2.287 57.960 56.100 -0.712 0.000 0.943 739 R CB -0.409 29.502 30.300 -0.648 0.000 0.850 739 R HN 0.478 nan 8.270 nan 0.000 0.433 740 Q N 0.255 119.922 119.800 -0.222 0.000 2.112 740 Q HA -0.204 4.130 4.340 -0.011 0.000 0.206 740 Q C 2.033 178.015 176.000 -0.031 0.000 0.987 740 Q CA 1.896 57.634 55.803 -0.108 0.000 0.858 740 Q CB -0.070 28.613 28.738 -0.091 0.000 0.905 740 Q HN 0.458 nan 8.270 nan 0.000 0.420 741 I N 0.173 120.725 120.570 -0.030 0.000 2.353 741 I HA -0.240 3.924 4.170 -0.011 0.000 0.248 741 I C 2.043 178.218 176.117 0.096 0.000 1.119 741 I CA 0.261 61.600 61.300 0.064 0.000 1.417 741 I CB -0.192 37.825 38.000 0.029 0.000 1.078 741 I HN 0.242 nan 8.210 nan 0.000 0.421 742 I N 0.819 121.429 120.570 0.067 0.000 2.142 742 I HA -0.239 3.925 4.170 -0.011 0.000 0.240 742 I C 2.515 178.747 176.117 0.191 0.000 1.078 742 I CA 1.626 63.031 61.300 0.175 0.000 1.343 742 I CB -1.256 36.942 38.000 0.331 0.000 1.046 742 I HN 0.260 nan 8.210 nan 0.000 0.405 743 E N 0.454 120.752 120.200 0.163 0.000 2.268 743 E HA -0.180 4.163 4.350 -0.011 0.000 0.195 743 E C 2.150 178.844 176.600 0.158 0.000 0.995 743 E CA 0.630 57.121 56.400 0.151 0.000 0.836 743 E CB -0.195 29.571 29.700 0.109 0.000 0.763 743 E HN 0.582 nan 8.360 nan 0.000 0.491 744 Q N -0.021 119.889 119.800 0.183 0.000 2.119 744 Q HA -0.036 4.297 4.340 -0.011 0.000 0.201 744 Q C 2.321 178.562 176.000 0.401 0.000 0.972 744 Q CA 0.855 56.833 55.803 0.292 0.000 0.847 744 Q CB 0.022 29.020 28.738 0.434 0.000 0.903 744 Q HN 0.263 nan 8.270 nan 0.000 0.433 745 L N -0.345 121.078 121.223 0.334 0.000 2.023 745 L HA -0.137 4.197 4.340 -0.011 0.000 0.205 745 L C 2.409 179.453 176.870 0.289 0.000 1.073 745 L CA 0.899 55.919 54.840 0.299 0.000 0.745 745 L CB -0.481 41.666 42.059 0.146 0.000 0.900 745 L HN 0.121 nan 8.230 nan 0.000 0.435 746 S N -0.512 115.325 115.700 0.228 0.000 2.387 746 S HA -0.160 4.304 4.470 -0.011 0.000 0.230 746 S C 1.672 176.379 174.600 0.179 0.000 1.035 746 S CA 1.551 59.866 58.200 0.193 0.000 1.014 746 S CB -0.148 63.149 63.200 0.163 0.000 0.836 746 S HN 0.308 nan 8.310 nan 0.000 0.466 747 S N -0.269 115.542 115.700 0.185 0.000 2.561 747 S HA 0.460 4.924 4.470 -0.011 0.000 0.245 747 S C 1.134 175.838 174.600 0.173 0.000 1.001 747 S CA 0.236 58.528 58.200 0.155 0.000 1.002 747 S CB 0.504 63.778 63.200 0.123 0.000 0.805 747 S HN 0.710 nan 8.310 nan 0.000 0.458 748 G N 1.243 110.173 108.800 0.216 0.000 2.155 748 G HA2 -0.355 3.599 3.960 -0.011 0.000 0.257 748 G HA3 -0.355 3.599 3.960 -0.011 0.000 0.257 748 G C 0.588 175.618 174.900 0.216 0.000 0.983 748 G CA 0.380 45.605 45.100 0.209 0.000 0.676 748 G HN 0.558 nan 8.290 nan 0.000 0.528 749 F N 0.488 120.479 119.950 0.068 0.000 2.161 749 F HA 0.156 4.677 4.527 -0.011 0.000 0.300 749 F C 1.963 177.628 175.800 -0.226 0.000 1.089 749 F CA 1.745 59.683 58.000 -0.105 0.000 1.282 749 F CB -0.289 38.592 39.000 -0.197 0.000 1.010 749 F HN 0.171 nan 8.300 nan 0.000 0.485 750 F N -0.228 119.706 119.950 -0.026 0.000 2.789 750 F HA 0.137 4.658 4.527 -0.011 0.000 0.300 750 F C 1.105 176.940 175.800 0.059 0.000 1.132 750 F CA 0.618 58.549 58.000 -0.115 0.000 1.404 750 F CB -0.266 38.687 39.000 -0.079 0.000 1.114 750 F HN 0.002 nan 8.300 nan 0.000 0.584 751 S N -1.743 114.095 115.700 0.230 0.000 2.235 751 S HA 0.338 4.801 4.470 -0.011 0.000 0.152 751 S C -2.383 172.262 174.600 0.075 0.000 1.649 751 S CA -1.154 57.136 58.200 0.149 0.000 1.277 751 S CB 0.777 64.062 63.200 0.140 0.000 1.299 751 S HN -0.156 nan 8.310 nan 0.000 0.388 752 P HA -0.198 nan 4.420 nan 0.000 0.210 752 P C 1.154 178.475 177.300 0.035 0.000 1.185 752 P CA 1.581 64.699 63.100 0.031 0.000 0.924 752 P CB -0.018 31.683 31.700 0.001 0.000 0.786 753 K N -0.843 119.571 120.400 0.022 0.000 2.589 753 K HA -0.020 4.294 4.320 -0.011 0.000 0.192 753 K C 0.911 177.525 176.600 0.023 0.000 1.029 753 K CA 0.766 57.065 56.287 0.021 0.000 1.031 753 K CB -0.230 32.278 32.500 0.014 0.000 0.821 753 K HN 0.155 nan 8.250 nan 0.000 0.502 754 Q N 0.581 120.397 119.800 0.026 0.000 2.409 754 Q HA 0.127 4.460 4.340 -0.011 0.000 0.345 754 Q C -2.093 173.919 176.000 0.020 0.000 0.847 754 Q CA -1.111 54.702 55.803 0.016 0.000 1.092 754 Q CB 1.541 30.282 28.738 0.005 0.000 1.377 754 Q HN 0.161 nan 8.270 nan 0.000 0.399 755 P HA -0.159 nan 4.420 nan 0.000 0.218 755 P C 0.805 178.157 177.300 0.087 0.000 1.149 755 P CA 1.213 64.358 63.100 0.075 0.000 0.817 755 P CB 0.321 32.064 31.700 0.072 0.000 0.785 756 D N -0.358 120.077 120.400 0.059 0.000 2.349 756 D HA -0.069 4.565 4.640 -0.011 0.000 0.215 756 D C 1.879 178.204 176.300 0.042 0.000 1.016 756 D CA -0.119 53.922 54.000 0.067 0.000 0.870 756 D CB -0.500 40.333 40.800 0.054 0.000 0.917 756 D HN -0.095 nan 8.370 nan 0.000 0.524 757 L N 0.364 121.564 121.223 -0.038 0.000 2.030 757 L HA -0.242 4.091 4.340 -0.011 0.000 0.222 757 L C 1.275 177.969 176.870 -0.293 0.000 1.082 757 L CA 1.760 56.471 54.840 -0.215 0.000 0.785 757 L CB -0.890 40.906 42.059 -0.440 0.000 0.895 757 L HN -0.038 nan 8.230 nan 0.000 0.439 758 F N -0.549 119.457 119.950 0.092 0.000 2.663 758 F HA 0.163 4.684 4.527 -0.010 0.000 0.299 758 F C 1.944 177.799 175.800 0.091 0.000 1.143 758 F CA -0.044 58.000 58.000 0.074 0.000 1.387 758 F CB -0.704 38.326 39.000 0.051 0.000 1.019 758 F HN 0.071 nan 8.300 nan 0.000 0.523 759 K N 0.944 121.470 120.400 0.210 0.000 2.209 759 K HA -0.202 4.112 4.320 -0.011 0.000 0.204 759 K C 1.085 177.796 176.600 0.186 0.000 1.048 759 K CA 1.961 58.357 56.287 0.181 0.000 0.940 759 K CB -0.082 32.499 32.500 0.136 0.000 0.729 759 K HN 0.441 nan 8.250 nan 0.000 0.451 760 D N -0.849 119.669 120.400 0.197 0.000 2.348 760 D HA -0.042 4.592 4.640 -0.011 0.000 0.211 760 D C 1.651 178.065 176.300 0.190 0.000 0.998 760 D CA 0.266 54.388 54.000 0.204 0.000 0.873 760 D CB -0.038 40.899 40.800 0.229 0.000 0.925 760 D HN 0.218 nan 8.370 nan 0.000 0.524 761 I N 0.289 120.968 120.570 0.182 0.000 2.333 761 I HA -0.159 4.004 4.170 -0.011 0.000 0.246 761 I C 2.022 178.208 176.117 0.115 0.000 1.106 761 I CA 0.435 61.815 61.300 0.133 0.000 1.411 761 I CB 0.030 38.098 38.000 0.115 0.000 1.082 761 I HN -0.030 nan 8.210 nan 0.000 0.420 762 V N 1.011 121.009 119.914 0.139 0.000 2.358 762 V HA -0.274 3.839 4.120 -0.011 0.000 0.246 762 V C 2.275 178.404 176.094 0.058 0.000 1.047 762 V CA 1.929 64.300 62.300 0.119 0.000 1.035 762 V CB -0.889 31.024 31.823 0.150 0.000 0.658 762 V HN 0.513 nan 8.190 nan 0.000 0.452 763 N N -0.063 118.699 118.700 0.103 0.000 2.120 763 N HA -0.196 4.537 4.740 -0.011 0.000 0.188 763 N C 1.976 177.538 175.510 0.086 0.000 1.024 763 N CA 1.862 54.984 53.050 0.120 0.000 0.852 763 N CB -0.117 38.527 38.487 0.261 0.000 1.003 763 N HN 0.424 nan 8.380 nan 0.000 0.424 764 M N 0.498 120.202 119.600 0.173 0.000 2.086 764 M HA -0.162 4.312 4.480 -0.011 0.000 0.261 764 M C 1.723 178.024 176.300 0.001 0.000 1.067 764 M CA 1.109 56.528 55.300 0.198 0.000 1.116 764 M CB -0.371 32.350 32.600 0.202 0.000 1.348 764 M HN 0.060 nan 8.290 nan 0.000 0.407 765 L N 1.117 122.291 121.223 -0.081 0.000 1.970 765 L HA -0.248 4.085 4.340 -0.011 0.000 0.212 765 L C 2.570 179.185 176.870 -0.425 0.000 1.071 765 L CA 1.862 56.526 54.840 -0.294 0.000 0.751 765 L CB -1.294 40.641 42.059 -0.207 0.000 0.889 765 L HN 0.350 nan 8.230 nan 0.000 0.432 766 M N -1.292 118.103 119.600 -0.343 0.000 2.117 766 M HA -0.172 4.302 4.480 -0.011 0.000 0.262 766 M C 2.035 177.961 176.300 -0.624 0.000 1.065 766 M CA 1.746 56.758 55.300 -0.480 0.000 1.114 766 M CB -1.138 31.055 32.600 -0.677 0.000 1.361 766 M HN 0.376 nan 8.290 nan 0.000 0.408 767 H N -3.075 115.823 119.070 -0.287 0.000 3.205 767 H HA 0.242 4.792 4.556 -0.010 0.000 0.252 767 H C 0.215 175.200 175.328 -0.571 0.000 1.015 767 H CA 0.409 56.153 56.048 -0.508 0.000 1.192 767 H CB 0.181 29.434 29.762 -0.849 0.000 1.474 767 H HN 0.538 nan 8.280 nan 0.000 0.484 768 H N 0.132 119.252 119.070 0.084 0.000 2.790 768 H HA 0.152 4.702 4.556 -0.011 0.000 0.232 768 H C -0.654 174.705 175.328 0.051 0.000 1.313 768 H CA -0.353 55.745 56.048 0.084 0.000 1.011 768 H CB 0.868 30.693 29.762 0.104 0.000 2.105 768 H HN -0.031 nan 8.280 nan 0.000 0.580 769 D N 1.278 121.732 120.400 0.089 0.000 2.393 769 D HA 0.091 4.725 4.640 -0.011 0.000 0.232 769 D C 1.059 177.331 176.300 -0.047 0.000 1.192 769 D CA -0.112 53.917 54.000 0.049 0.000 0.882 769 D CB 0.574 41.381 40.800 0.012 0.000 1.038 769 D HN 0.347 nan 8.370 nan 0.000 0.499 770 R N 2.268 122.663 120.500 -0.175 0.000 2.189 770 R HA -0.075 4.259 4.340 -0.011 0.000 0.223 770 R C 0.539 176.288 176.300 -0.918 0.000 1.092 770 R CA 0.925 56.672 56.100 -0.588 0.000 0.989 770 R CB 0.164 29.926 30.300 -0.898 0.000 0.876 770 R HN 0.397 nan 8.270 nan 0.000 0.457 771 F N 1.135 121.050 119.950 -0.058 0.000 2.698 771 F HA 0.168 4.689 4.527 -0.010 0.000 0.304 771 F C 0.016 175.696 175.800 -0.200 0.000 1.108 771 F CA -0.821 57.121 58.000 -0.096 0.000 1.263 771 F CB 0.185 39.174 39.000 -0.019 0.000 1.013 771 F HN -0.136 nan 8.300 nan 0.000 0.532 772 K N -0.605 119.616 120.400 -0.298 0.000 4.166 772 K HA -0.217 4.096 4.320 -0.011 0.000 0.276 772 K C 0.482 176.899 176.600 -0.305 0.000 0.808 772 K CA 0.318 56.221 56.287 -0.639 0.000 0.717 772 K CB -1.832 29.971 32.500 -1.161 0.000 1.774 772 K HN 0.268 nan 8.250 nan 0.000 0.427 773 V N 1.127 120.964 119.914 -0.128 0.000 2.255 773 V HA -0.267 3.846 4.120 -0.011 0.000 0.247 773 V C 2.121 178.313 176.094 0.163 0.000 1.051 773 V CA 2.082 64.391 62.300 0.015 0.000 1.018 773 V CB -0.628 31.211 31.823 0.027 0.000 0.641 773 V HN 0.592 nan 8.190 nan 0.000 0.445 774 F N 0.815 120.765 119.950 -0.001 0.000 2.250 774 F HA -0.143 4.378 4.527 -0.011 0.000 0.301 774 F C 2.405 177.996 175.800 -0.349 0.000 1.077 774 F CA 0.889 58.845 58.000 -0.073 0.000 1.348 774 F CB -1.513 37.478 39.000 -0.014 0.000 1.040 774 F HN 0.180 nan 8.300 nan 0.000 0.509 775 A N -0.814 121.838 122.820 -0.279 0.000 2.066 775 A HA -0.118 4.196 4.320 -0.011 0.000 0.218 775 A C 1.664 179.222 177.584 -0.044 0.000 1.157 775 A CA 1.616 53.401 52.037 -0.419 0.000 0.670 775 A CB -0.413 18.425 19.000 -0.270 0.000 0.804 775 A HN 0.193 nan 8.150 nan 0.000 0.453 776 D N -2.808 117.633 120.400 0.067 0.000 2.398 776 D HA 0.090 4.724 4.640 -0.011 0.000 0.210 776 D C 1.135 177.604 176.300 0.281 0.000 1.094 776 D CA -0.058 54.062 54.000 0.200 0.000 0.839 776 D CB -0.065 40.863 40.800 0.214 0.000 0.963 776 D HN 0.548 nan 8.370 nan 0.000 0.506 777 Y N 2.243 122.626 120.300 0.138 0.000 2.070 777 Y HA -0.271 4.273 4.550 -0.010 0.000 0.280 777 Y C 2.343 178.333 175.900 0.151 0.000 1.148 777 Y CA 2.371 60.571 58.100 0.166 0.000 1.125 777 Y CB 0.060 38.594 38.460 0.124 0.000 0.975 777 Y HN -0.093 nan 8.280 nan 0.000 0.492 778 E N 0.141 120.467 120.200 0.209 0.000 2.038 778 E HA -0.269 4.074 4.350 -0.011 0.000 0.195 778 E C 2.273 178.872 176.600 -0.003 0.000 1.000 778 E CA 1.865 58.315 56.400 0.083 0.000 0.803 778 E CB -0.418 29.434 29.700 0.254 0.000 0.750 778 E HN 0.646 nan 8.360 nan 0.000 0.448 779 E N -1.111 119.152 120.200 0.105 0.000 2.153 779 E HA -0.214 4.129 4.350 -0.011 0.000 0.194 779 E C 1.815 178.446 176.600 0.053 0.000 0.988 779 E CA 1.006 57.480 56.400 0.124 0.000 0.811 779 E CB -0.172 29.667 29.700 0.232 0.000 0.746 779 E HN 0.413 nan 8.360 nan 0.000 0.466 780 Y N 0.812 120.986 120.300 -0.210 0.000 2.163 780 Y HA -0.203 4.340 4.550 -0.011 0.000 0.288 780 Y C 2.148 177.687 175.900 -0.603 0.000 1.136 780 Y CA 1.601 59.259 58.100 -0.737 0.000 1.147 780 Y CB -0.481 37.522 38.460 -0.762 0.000 0.987 780 Y HN -0.012 nan 8.280 nan 0.000 0.509 781 V N -1.433 118.119 119.914 -0.603 0.000 2.515 781 V HA -0.154 3.960 4.120 -0.011 0.000 0.250 781 V C 2.113 177.987 176.094 -0.367 0.000 1.058 781 V CA 1.988 63.952 62.300 -0.559 0.000 1.064 781 V CB -0.714 30.840 31.823 -0.448 0.000 0.675 781 V HN 0.111 nan 8.190 nan 0.000 0.461 782 K N 0.298 120.548 120.400 -0.251 0.000 2.025 782 K HA -0.029 4.285 4.320 -0.011 0.000 0.207 782 K C 2.257 178.758 176.600 -0.165 0.000 1.049 782 K CA 1.835 58.035 56.287 -0.145 0.000 0.933 782 K CB -1.488 30.980 32.500 -0.053 0.000 0.714 782 K HN 0.602 nan 8.250 nan 0.000 0.438 783 C N 1.143 120.320 119.300 -0.204 0.000 2.422 783 C HA -0.091 4.363 4.460 -0.011 0.000 0.279 783 C C 2.385 177.175 174.990 -0.333 0.000 1.305 783 C CA 0.715 59.635 59.018 -0.164 0.000 1.757 783 C CB -0.677 26.993 27.740 -0.116 0.000 1.962 783 C HN 0.428 nan 8.230 nan 0.000 0.499 784 Q N 0.430 119.895 119.800 -0.558 0.000 2.167 784 Q HA -0.158 4.176 4.340 -0.011 0.000 0.202 784 Q C 1.952 177.761 176.000 -0.319 0.000 0.970 784 Q CA 1.563 57.020 55.803 -0.577 0.000 0.855 784 Q CB -0.349 27.846 28.738 -0.905 0.000 0.911 784 Q HN 0.759 nan 8.270 nan 0.000 0.438 785 E N 0.403 120.472 120.200 -0.218 0.000 2.051 785 E HA -0.148 4.196 4.350 -0.011 0.000 0.192 785 E C 2.103 178.657 176.600 -0.077 0.000 0.991 785 E CA 0.679 57.007 56.400 -0.119 0.000 0.799 785 E CB -0.077 29.573 29.700 -0.084 0.000 0.748 785 E HN 0.208 nan 8.360 nan 0.000 0.449 786 R N 0.451 120.918 120.500 -0.056 0.000 2.127 786 R HA -0.156 4.178 4.340 -0.011 0.000 0.238 786 R C 2.596 178.911 176.300 0.026 0.000 1.134 786 R CA 1.588 57.718 56.100 0.049 0.000 0.975 786 R CB -0.410 29.984 30.300 0.156 0.000 0.865 786 R HN 0.242 nan 8.270 nan 0.000 0.447 787 V N -2.868 116.863 119.914 -0.305 0.000 2.488 787 V HA -0.074 4.040 4.120 -0.011 0.000 0.246 787 V C 1.820 177.917 176.094 0.005 0.000 1.046 787 V CA 1.737 63.791 62.300 -0.412 0.000 1.053 787 V CB -0.152 31.217 31.823 -0.756 0.000 0.679 787 V HN 0.072 nan 8.190 nan 0.000 0.458 788 S N 1.205 116.866 115.700 -0.064 0.000 2.423 788 S HA 0.061 4.524 4.470 -0.011 0.000 0.231 788 S C 2.246 176.882 174.600 0.061 0.000 1.014 788 S CA 1.406 59.592 58.200 -0.024 0.000 0.965 788 S CB -0.477 62.674 63.200 -0.081 0.000 0.785 788 S HN 0.909 nan 8.310 nan 0.000 0.495 789 A N 1.538 124.404 122.820 0.077 0.000 1.877 789 A HA 0.033 4.346 4.320 -0.011 0.000 0.216 789 A C 2.062 179.741 177.584 0.158 0.000 1.186 789 A CA 1.030 53.131 52.037 0.106 0.000 0.620 789 A CB -0.692 18.371 19.000 0.104 0.000 0.822 789 A HN 0.459 nan 8.150 nan 0.000 0.443 790 L N -2.039 119.346 121.223 0.270 0.000 2.217 790 L HA -0.118 4.215 4.340 -0.011 0.000 0.211 790 L C 2.442 179.467 176.870 0.258 0.000 1.107 790 L CA 1.451 56.531 54.840 0.401 0.000 0.783 790 L CB -0.304 42.162 42.059 0.678 0.000 0.919 790 L HN 0.627 nan 8.230 nan 0.000 0.442 791 Y N 1.705 121.912 120.300 -0.155 0.000 2.314 791 Y HA -0.248 4.296 4.550 -0.009 0.000 0.293 791 Y C 2.204 177.911 175.900 -0.322 0.000 1.129 791 Y CA 1.656 59.337 58.100 -0.698 0.000 1.201 791 Y CB 0.009 38.011 38.460 -0.763 0.000 0.999 791 Y HN 0.174 nan 8.280 nan 0.000 0.541 792 K N -0.376 119.980 120.400 -0.073 0.000 2.551 792 K HA -0.028 4.285 4.320 -0.011 0.000 0.192 792 K C -0.107 176.448 176.600 -0.077 0.000 1.027 792 K CA 0.624 56.877 56.287 -0.057 0.000 1.059 792 K CB -0.315 32.241 32.500 0.093 0.000 0.831 792 K HN 0.058 nan 8.250 nan 0.000 0.508 793 N N 0.827 119.485 118.700 -0.070 0.000 2.904 793 N HA 0.272 5.006 4.740 -0.011 0.000 0.257 793 N C -2.276 173.210 175.510 -0.040 0.000 1.363 793 N CA -2.533 50.501 53.050 -0.027 0.000 0.856 793 N CB 1.184 39.697 38.487 0.045 0.000 1.166 793 N HN -0.176 nan 8.380 nan 0.000 0.499 794 P HA -0.243 nan 4.420 nan 0.000 0.218 794 P C 1.305 178.596 177.300 -0.016 0.000 1.165 794 P CA 1.496 64.513 63.100 -0.138 0.000 0.922 794 P CB 0.323 31.931 31.700 -0.153 0.000 0.794 795 R N -0.691 119.807 120.500 -0.003 0.000 2.115 795 R HA -0.139 4.194 4.340 -0.011 0.000 0.230 795 R C 1.887 178.217 176.300 0.050 0.000 1.111 795 R CA 1.329 57.439 56.100 0.018 0.000 0.976 795 R CB -0.221 30.084 30.300 0.010 0.000 0.870 795 R HN 0.093 nan 8.270 nan 0.000 0.445 796 E N -0.982 119.261 120.200 0.073 0.000 2.230 796 E HA -0.121 4.222 4.350 -0.011 0.000 0.192 796 E C 1.194 177.893 176.600 0.166 0.000 0.987 796 E CA 0.583 57.040 56.400 0.095 0.000 0.841 796 E CB -0.239 29.514 29.700 0.088 0.000 0.783 796 E HN 0.307 nan 8.360 nan 0.000 0.481 797 W N 1.176 122.467 121.300 -0.015 0.000 2.358 797 W HA -0.143 4.510 4.660 -0.012 0.000 0.303 797 W C 2.051 178.564 176.519 -0.009 0.000 1.208 797 W CA 2.046 59.396 57.345 0.008 0.000 1.274 797 W CB -0.555 28.899 29.460 -0.010 0.000 1.138 797 W HN 0.005 nan 8.180 nan 0.000 0.515 798 T N -0.372 114.293 114.554 0.186 0.000 2.995 798 T HA -0.109 4.234 4.350 -0.011 0.000 0.269 798 T C 1.705 176.410 174.700 0.008 0.000 1.091 798 T CA 1.075 63.218 62.100 0.071 0.000 1.128 798 T CB -0.142 68.741 68.868 0.025 0.000 0.891 798 T HN 0.150 nan 8.240 nan 0.000 0.492 799 R N 0.238 120.748 120.500 0.018 0.000 2.127 799 R HA 0.260 4.593 4.340 -0.011 0.000 0.217 799 R C 2.409 178.692 176.300 -0.028 0.000 1.074 799 R CA 0.648 56.750 56.100 0.003 0.000 0.991 799 R CB -0.224 30.086 30.300 0.017 0.000 0.895 799 R HN 0.334 nan 8.270 nan 0.000 0.450 800 M N 0.469 120.028 119.600 -0.068 0.000 2.200 800 M HA -0.125 4.349 4.480 -0.011 0.000 0.265 800 M C 1.894 178.108 176.300 -0.145 0.000 1.066 800 M CA 1.306 56.525 55.300 -0.135 0.000 1.127 800 M CB 0.201 32.661 32.600 -0.233 0.000 1.379 800 M HN -0.031 nan 8.290 nan 0.000 0.420 801 V N 0.890 120.717 119.914 -0.146 0.000 2.287 801 V HA -0.322 3.791 4.120 -0.011 0.000 0.248 801 V C 2.180 178.238 176.094 -0.060 0.000 1.053 801 V CA 2.063 64.298 62.300 -0.109 0.000 1.027 801 V CB -0.594 31.200 31.823 -0.049 0.000 0.646 801 V HN 0.505 nan 8.190 nan 0.000 0.447 802 I N -0.782 119.761 120.570 -0.045 0.000 2.454 802 I HA -0.220 3.944 4.170 -0.011 0.000 0.254 802 I C 2.638 178.772 176.117 0.028 0.000 1.156 802 I CA 1.186 62.482 61.300 -0.007 0.000 1.433 802 I CB -0.271 37.746 38.000 0.028 0.000 1.082 802 I HN 0.173 nan 8.210 nan 0.000 0.432 803 R N 0.837 121.340 120.500 0.006 0.000 2.115 803 R HA -0.044 4.290 4.340 -0.011 0.000 0.226 803 R C 1.957 178.275 176.300 0.029 0.000 1.100 803 R CA 1.168 57.278 56.100 0.016 0.000 0.980 803 R CB -0.301 29.995 30.300 -0.007 0.000 0.875 803 R HN 0.427 nan 8.270 nan 0.000 0.445 804 N N -0.375 118.334 118.700 0.014 0.000 2.220 804 N HA -0.034 4.700 4.740 -0.011 0.000 0.182 804 N C 1.708 177.257 175.510 0.066 0.000 1.023 804 N CA 1.260 54.340 53.050 0.050 0.000 0.856 804 N CB 0.060 38.550 38.487 0.006 0.000 0.997 804 N HN 0.145 nan 8.380 nan 0.000 0.429 805 I N 1.627 122.221 120.570 0.040 0.000 2.208 805 I HA -0.211 3.953 4.170 -0.011 0.000 0.245 805 I C 2.360 178.510 176.117 0.054 0.000 1.097 805 I CA 0.855 62.183 61.300 0.046 0.000 1.363 805 I CB -0.328 37.686 38.000 0.022 0.000 1.051 805 I HN 0.070 nan 8.210 nan 0.000 0.413 806 A N -0.518 122.338 122.820 0.059 0.000 2.168 806 A HA -0.097 4.217 4.320 -0.011 0.000 0.215 806 A C 2.103 179.718 177.584 0.051 0.000 1.152 806 A CA 1.564 53.635 52.037 0.056 0.000 0.716 806 A CB -0.583 18.462 19.000 0.074 0.000 0.794 806 A HN 0.362 nan 8.150 nan 0.000 0.465 807 T N -0.837 113.758 114.554 0.069 0.000 3.092 807 T HA 0.119 4.463 4.350 -0.011 0.000 0.258 807 T C 1.585 176.362 174.700 0.128 0.000 1.031 807 T CA 0.663 62.809 62.100 0.078 0.000 0.925 807 T CB 0.004 68.923 68.868 0.085 0.000 1.036 807 T HN 0.414 nan 8.240 nan 0.000 0.544 808 S N 0.927 116.715 115.700 0.147 0.000 2.447 808 S HA -0.003 4.461 4.470 -0.011 0.000 0.233 808 S C 2.421 177.108 174.600 0.145 0.000 1.006 808 S CA 0.824 59.164 58.200 0.235 0.000 0.957 808 S CB -0.542 62.765 63.200 0.179 0.000 0.773 808 S HN 0.666 nan 8.310 nan 0.000 0.507 809 G N 2.701 111.524 108.800 0.038 0.000 2.843 809 G HA2 -0.448 3.506 3.960 -0.011 0.000 0.232 809 G HA3 -0.448 3.506 3.960 -0.011 0.000 0.232 809 G C 1.272 176.109 174.900 -0.106 0.000 1.186 809 G CA 1.757 46.845 45.100 -0.020 0.000 0.766 809 G HN 0.518 nan 8.290 nan 0.000 0.647 810 K N -0.301 119.920 120.400 -0.299 0.000 2.127 810 K HA -0.125 4.189 4.320 -0.011 0.000 0.208 810 K C 1.791 178.099 176.600 -0.486 0.000 1.047 810 K CA 1.458 57.444 56.287 -0.501 0.000 0.927 810 K CB -0.304 31.679 32.500 -0.861 0.000 0.716 810 K HN 0.363 nan 8.250 nan 0.000 0.450 811 F N 1.203 121.173 119.950 0.033 0.000 2.695 811 F HA 0.135 4.655 4.527 -0.011 0.000 0.301 811 F C 0.916 176.752 175.800 0.060 0.000 1.182 811 F CA -0.167 57.858 58.000 0.043 0.000 1.412 811 F CB -0.206 38.815 39.000 0.035 0.000 1.056 811 F HN -0.117 nan 8.300 nan 0.000 0.522 812 S N -0.128 115.654 115.700 0.136 0.000 2.584 812 S HA 0.167 4.630 4.470 -0.011 0.000 0.273 812 S C 1.414 176.096 174.600 0.137 0.000 1.311 812 S CA -0.175 58.104 58.200 0.132 0.000 1.034 812 S CB 0.899 64.149 63.200 0.083 0.000 0.939 812 S HN 0.298 nan 8.310 nan 0.000 0.513 813 S N 2.826 118.627 115.700 0.168 0.000 2.507 813 S HA -0.052 4.411 4.470 -0.011 0.000 0.235 813 S C 0.833 175.487 174.600 0.090 0.000 0.988 813 S CA 0.565 58.882 58.200 0.194 0.000 0.944 813 S CB -0.340 63.036 63.200 0.293 0.000 0.762 813 S HN 0.781 nan 8.310 nan 0.000 0.526 814 D N 1.837 122.274 120.400 0.061 0.000 2.149 814 D HA -0.052 4.582 4.640 -0.011 0.000 0.201 814 D C 2.089 178.395 176.300 0.010 0.000 0.972 814 D CA 0.633 54.648 54.000 0.025 0.000 0.835 814 D CB -0.303 40.510 40.800 0.021 0.000 0.966 814 D HN 0.280 nan 8.370 nan 0.000 0.476 815 R N 0.982 121.490 120.500 0.013 0.000 2.066 815 R HA -0.088 4.246 4.340 -0.011 0.000 0.232 815 R C 1.807 178.099 176.300 -0.012 0.000 1.131 815 R CA 1.467 57.561 56.100 -0.010 0.000 0.955 815 R CB -0.819 29.465 30.300 -0.028 0.000 0.851 815 R HN 0.108 nan 8.270 nan 0.000 0.432 816 T N 1.979 116.548 114.554 0.024 0.000 2.720 816 T HA -0.112 4.232 4.350 -0.011 0.000 0.268 816 T C 1.904 176.628 174.700 0.039 0.000 1.037 816 T CA 1.278 63.412 62.100 0.056 0.000 1.144 816 T CB -0.056 68.921 68.868 0.183 0.000 0.864 816 T HN 0.110 nan 8.240 nan 0.000 0.444 817 I N 1.397 121.920 120.570 -0.078 0.000 2.333 817 I HA 0.060 4.224 4.170 -0.011 0.000 0.246 817 I C 2.930 179.020 176.117 -0.045 0.000 1.106 817 I CA 0.712 61.925 61.300 -0.145 0.000 1.411 817 I CB -1.554 36.334 38.000 -0.187 0.000 1.082 817 I HN 0.187 nan 8.210 nan 0.000 0.420 818 A N 0.050 122.856 122.820 -0.024 0.000 2.024 818 A HA -0.237 4.077 4.320 -0.011 0.000 0.220 818 A C 2.232 179.786 177.584 -0.049 0.000 1.164 818 A CA 1.467 53.495 52.037 -0.015 0.000 0.643 818 A CB -0.510 18.483 19.000 -0.011 0.000 0.806 818 A HN 0.508 nan 8.150 nan 0.000 0.451 819 Q N -2.036 117.711 119.800 -0.088 0.000 2.096 819 Q HA -0.117 4.216 4.340 -0.011 0.000 0.197 819 Q C 1.841 177.677 176.000 -0.274 0.000 0.964 819 Q CA 1.279 56.986 55.803 -0.159 0.000 0.838 819 Q CB -0.231 28.395 28.738 -0.187 0.000 0.906 819 Q HN 0.814 nan 8.270 nan 0.000 0.444 820 Y N 0.692 120.713 120.300 -0.465 0.000 2.114 820 Y HA -0.340 4.203 4.550 -0.011 0.000 0.282 820 Y C 2.449 177.854 175.900 -0.824 0.000 1.165 820 Y CA 1.477 59.052 58.100 -0.875 0.000 1.148 820 Y CB -0.536 37.031 38.460 -1.488 0.000 0.972 820 Y HN 0.176 nan 8.280 nan 0.000 0.504 821 A N 0.194 122.874 122.820 -0.233 0.000 1.859 821 A HA -0.260 4.054 4.320 -0.011 0.000 0.217 821 A C 2.263 179.888 177.584 0.069 0.000 1.198 821 A CA 2.257 54.384 52.037 0.150 0.000 0.629 821 A CB -0.692 18.416 19.000 0.180 0.000 0.830 821 A HN 0.443 nan 8.150 nan 0.000 0.446 822 R N -0.762 119.730 120.500 -0.013 0.000 2.073 822 R HA -0.058 4.275 4.340 -0.011 0.000 0.229 822 R C 1.698 177.982 176.300 -0.028 0.000 1.120 822 R CA 1.591 57.685 56.100 -0.010 0.000 0.967 822 R CB -0.157 30.128 30.300 -0.025 0.000 0.862 822 R HN 0.684 nan 8.270 nan 0.000 0.436 823 E N -0.931 119.213 120.200 -0.095 0.000 2.476 823 E HA 0.132 4.475 4.350 -0.011 0.000 0.199 823 E C 1.215 177.759 176.600 -0.093 0.000 1.021 823 E CA 0.221 56.568 56.400 -0.088 0.000 0.907 823 E CB 0.716 30.340 29.700 -0.126 0.000 0.974 823 E HN 0.298 nan 8.360 nan 0.000 0.489 824 I N -1.282 119.201 120.570 -0.144 0.000 4.228 824 I HA 0.055 4.218 4.170 -0.011 0.000 0.298 824 I C 1.218 177.426 176.117 0.152 0.000 1.206 824 I CA -0.030 61.208 61.300 -0.104 0.000 1.322 824 I CB 0.355 38.147 38.000 -0.347 0.000 1.411 824 I HN 0.122 nan 8.210 nan 0.000 0.454 825 W N 1.457 122.837 121.300 0.133 0.000 2.630 825 W HA 0.356 5.009 4.660 -0.011 0.000 0.271 825 W C 1.505 178.069 176.519 0.076 0.000 1.244 825 W CA 0.971 58.387 57.345 0.119 0.000 1.353 825 W CB -0.751 28.763 29.460 0.091 0.000 1.080 825 W HN 0.279 nan 8.180 nan 0.000 0.594 826 G N 1.041 109.993 108.800 0.255 0.000 2.204 826 G HA2 -0.107 3.847 3.960 -0.011 0.000 0.244 826 G HA3 -0.107 3.847 3.960 -0.011 0.000 0.244 826 G C -0.383 174.596 174.900 0.131 0.000 1.062 826 G CA 0.077 45.267 45.100 0.149 0.000 0.798 826 G HN 0.302 nan 8.290 nan 0.000 0.496 827 V N -4.003 116.005 119.914 0.156 0.000 2.960 827 V HA 0.920 5.034 4.120 -0.011 0.000 0.315 827 V C -0.221 175.929 176.094 0.095 0.000 1.087 827 V CA -1.676 60.692 62.300 0.113 0.000 0.982 827 V CB 2.321 34.213 31.823 0.114 0.000 1.039 827 V HN 0.127 nan 8.190 nan 0.000 0.437 828 E N 3.533 123.773 120.200 0.067 0.000 2.134 828 E HA 0.489 4.833 4.350 -0.011 0.000 0.278 828 E C -2.448 174.185 176.600 0.054 0.000 0.959 828 E CA -1.850 54.581 56.400 0.053 0.000 0.783 828 E CB 1.815 31.539 29.700 0.041 0.000 1.095 828 E HN 0.728 nan 8.360 nan 0.000 0.399 829 P HA -0.010 nan 4.420 nan 0.000 0.269 829 P C -0.217 177.108 177.300 0.041 0.000 1.211 829 P CA -0.035 63.093 63.100 0.048 0.000 0.781 829 P CB 0.938 32.663 31.700 0.041 0.000 0.877 830 S N -0.246 115.479 115.700 0.042 0.000 2.685 830 S HA 0.577 5.041 4.470 -0.011 0.000 0.282 830 S C -0.003 174.619 174.600 0.037 0.000 1.159 830 S CA -0.696 57.529 58.200 0.041 0.000 0.833 830 S CB 1.563 64.793 63.200 0.050 0.000 1.151 830 S HN 0.579 nan 8.310 nan 0.000 0.485 831 R N 0.434 120.954 120.500 0.033 0.000 2.494 831 R HA 0.183 4.516 4.340 -0.011 0.000 0.400 831 R C -0.917 175.397 176.300 0.022 0.000 0.856 831 R CA 0.016 56.135 56.100 0.031 0.000 1.112 831 R CB 0.294 30.613 30.300 0.031 0.000 1.697 831 R HN 0.633 nan 8.270 nan 0.000 0.544 832 Q N 1.738 121.549 119.800 0.019 0.000 2.295 832 Q HA 0.174 4.507 4.340 -0.011 0.000 0.259 832 Q C -0.708 175.289 176.000 -0.006 0.000 0.976 832 Q CA -0.190 55.617 55.803 0.007 0.000 0.923 832 Q CB 1.055 29.799 28.738 0.009 0.000 1.185 832 Q HN -0.024 nan 8.270 nan 0.000 0.410 833 R N 1.798 122.287 120.500 -0.017 0.000 2.421 833 R HA 0.155 4.488 4.340 -0.011 0.000 0.305 833 R C -0.187 176.082 176.300 -0.052 0.000 1.039 833 R CA -0.322 55.758 56.100 -0.033 0.000 1.003 833 R CB -0.046 30.230 30.300 -0.040 0.000 0.959 833 R HN 0.554 nan 8.270 nan 0.000 0.427 834 L N 5.145 126.324 121.223 -0.073 0.000 2.483 834 L HA 0.159 4.493 4.340 -0.011 0.000 0.276 834 L C -1.416 175.394 176.870 -0.099 0.000 1.213 834 L CA -1.495 53.268 54.840 -0.128 0.000 0.843 834 L CB 0.795 42.754 42.059 -0.167 0.000 1.107 834 L HN 0.613 nan 8.230 nan 0.000 0.487 835 P HA 0.094 nan 4.420 nan 0.000 0.254 835 P C -0.410 176.860 177.300 -0.051 0.000 1.631 835 P CA -0.088 62.974 63.100 -0.063 0.000 0.861 835 P CB 0.029 31.697 31.700 -0.053 0.000 1.663 836 A N 2.036 124.825 122.820 -0.053 0.000 2.259 836 A HA 0.517 4.830 4.320 -0.011 0.000 0.278 836 A C -1.248 176.324 177.584 -0.019 0.000 1.107 836 A CA -1.298 50.720 52.037 -0.032 0.000 0.828 836 A CB -0.263 18.720 19.000 -0.029 0.000 1.111 836 A HN 0.100 nan 8.150 nan 0.000 0.498 837 P HA 0.146 nan 4.420 nan 0.000 0.239 837 P C -0.494 176.806 177.300 0.001 0.000 1.215 837 P CA 1.244 64.347 63.100 0.005 0.000 0.654 837 P CB 0.279 31.990 31.700 0.018 0.000 1.146 838 D N -3.054 117.346 120.400 0.001 0.000 4.892 838 D HA 0.098 4.732 4.640 -0.011 0.000 0.286 838 D C 0.683 176.980 176.300 -0.005 0.000 1.827 838 D CA -0.061 53.937 54.000 -0.003 0.000 1.031 838 D CB 0.490 41.289 40.800 -0.001 0.000 1.740 838 D HN 0.362 nan 8.370 nan 0.000 0.658 839 E N 0.284 120.479 120.200 -0.008 0.000 1.781 839 E HA -0.120 4.223 4.350 -0.011 0.000 0.247 839 E C -0.708 175.885 176.600 -0.012 0.000 1.036 839 E CA 0.929 57.323 56.400 -0.011 0.000 1.730 839 E CB -1.355 28.340 29.700 -0.008 0.000 3.862 839 E HN 0.553 nan 8.360 nan 0.000 0.915 840 K N 2.566 122.960 120.400 -0.009 0.000 2.505 840 K HA 0.294 4.608 4.320 -0.011 0.000 0.272 840 K C 0.584 177.178 176.600 -0.011 0.000 0.963 840 K CA 0.844 57.125 56.287 -0.009 0.000 0.932 840 K CB 0.380 32.877 32.500 -0.006 0.000 0.924 840 K HN 0.233 nan 8.250 nan 0.000 0.520 841 I N 1.210 121.773 120.570 -0.011 0.000 2.689 841 I HA 0.358 4.522 4.170 -0.011 0.000 0.299 841 I C -1.983 174.130 176.117 -0.008 0.000 1.059 841 I CA -2.350 58.943 61.300 -0.013 0.000 1.055 841 I CB 2.184 40.174 38.000 -0.016 0.000 1.243 841 I HN 0.874 nan 8.210 nan 0.000 0.425 842 P HA 0.000 nan 4.420 nan 0.000 0.216 842 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 842 P CB 0.000 31.703 31.700 0.005 0.000 0.726